*HEADER    METAL BINDING PROTEIN                   01-MAR-07   2P0Q              
*TITLE     CALCIUM BINDING PROTEIN IN THE CALCIUM-BINDING FORM                   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ALR1010 PROTEIN;                                           
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: CCBP;                                                       
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ANABAENA SP.;                                   
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 STRAIN: PCC 7120;                                                    
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PET15B                                    
*KEYWDS    CALCIUM BINDING, METAL BINDING PROTEIN                                
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    X.ZHANG, Y.HU, C.JIN                                                  
*REVDAT   2   22-APR-08 2P0Q    1       UPDATE MODEL NUMBERING AND THE CONSTRAINT DATA 
*REVDAT   1   25-MAR-08 2P0Q    0                                                


#
# 47  LYS  QD  46  GLY HN   6.00   (#  1573:10)
 &rst
  ixpk= 1573, nxpk= 10, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr1= 760, 761,
 &end
#
# 50  LYS  HA  48  TRP  HE1  6.00   (#  1393:10)
 &rst
  ixpk= 1393, nxpk= 10, iat= 820, 782, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 94  THR  QG2  94  THR HN   5.00   (#  1132:10)
 &rst
  ixpk= 1132, nxpk= 10, iat=  -1,1495, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1501,1502,1503,
 &end
#
# 81  GLU  QB  82  VAL HN   5.00   (#  1108:10)
 &rst
  ixpk= 1108, nxpk= 10, iat=  -1,1329, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1318,1319,
 &end
#
# 97  LEU  HA  100  ILE HN   5.00   (#  661:10)
 &rst
  ixpk= 661, nxpk= 10, iat=1543,1583, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 61  LYS  QB  62  THR HN   5.00   (#  518:10)
 &rst
  ixpk= 518, nxpk= 10, iat=  -1,1029, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1011,1012,
 &end
#
# 61  LYS  QD  61  LYS HN   6.00   (#  224:10)
 &rst
  ixpk= 224, nxpk= 10, iat=  -1,1007, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1017,1018,
 &end
#
# 47  LYS  QD  48  TRP HN   5.00   (#  1625:10)
 &rst
  ixpk= 1625, nxpk= 10, iat=  -1, 772, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 760, 761,
 &end
#
# 81  GLU  QG  66  LEU HN   7.00   (#  1632:10)
 &rst
  ixpk= 1632, nxpk= 10, iat=  -1,1090, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1321,1322,
 &end
#
# 94  THR  QG2  95  ALA HN  6.50   (#  53:10)
 &rst
  ixpk= 53, nxpk= 10, iat=  -1,1509, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1=1501,1502,1503,
 &end
#
# 97  LEU  HA  99  ASP HN   6.00   (#  495:10)
 &rst
  ixpk= 495, nxpk= 10, iat=1543,1571, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 96  LYS  QB  99  ASP HN   6.00   (#  504:10)
 &rst
  ixpk= 504, nxpk= 10, iat=  -1,1571, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1523,1524,
 &end
#
# 97  LEU HA  100 ILE QD1 6.00  (# 3205:20)
 &rst
  ixpk= 3205, nxpk= 20, iat=1543,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1596,1597,1598,
 &end
#
# 100  ILE  QG2  49  LYS  QB 6.50   (#  651:20)
 &rst
  ixpk= 651, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
 igr1=1589,1590,1591,
 igr2= 800, 801,
 &end
#
# 100  ILE  HB  97 LEU  HA 5.00  (# 451:20)
 &rst
  ixpk= 451, nxpk= 20, iat=1587,1543, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 103  ILE  HB  102  ALA  HA  5.00   (#  309:20)
 &rst
  ixpk= 309, nxpk= 20, iat=1631,1619, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 79  TYR  QB  96  LYS  HA 6.00   (#  217:20)
 &rst
  ixpk= 217, nxpk= 20, iat=  -1,1521, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1281,1282,
 &end
#
# 103  ILE  HB  46  GLY  QA  5.00   (#  90:20)
 &rst
  ixpk= 90, nxpk= 20, iat=1631,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 745, 746,
 &end
#
# 97 LEU  HA  100  ILE  HB  5.00   (#  475:20)
 &rst
  ixpk= 475, nxpk= 20, iat=1543,1587, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 97  LEU  HA  80  VAL  QG1 6.00   (#  909:20)
 &rst
  ixpk= 909, nxpk= 20, iat=1543,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1304,1305,1306,
 &end
#
# 97  LEU  QD1 80  VAL  QG1  6.00   (#  910:20)
 &rst
  ixpk= 910, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1=1550,1551,1552,
 igr2=1304,1305,1306,
 &end
#
# 97  LEU  HA  80  VAL  QG1 5.00   (#  1100:20)
 &rst
  ixpk= 1100, nxpk= 20, iat=1543,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1304,1305,1306,
 &end
#
# 96  LYS HN   96  LYS  QG  6.00   (#  1810:20)
 &rst
  ixpk= 1810, nxpk= 20, iat=1519,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1526,1527,
 &end
#
# 97  LEU  QD1 80  VAL  HA  6.00
 &rst
  ixpk= 1810, nxpk= 20, iat=  -1,1300, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1550,1551,1552,
 &end
#
# 96  LYS  QG  96  LYS  QB  7.00   (#  3186:20)
 &rst
  ixpk= 3186, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1526,1527,
 igr2=1523,1524,
 &end
#
# 79  TYR  HA  96  LYS  HA  6.00   (#  1272:20)
 &rst
  ixpk= 1272, nxpk= 20, iat=1279,1521, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 48  TRP HE3 95  ALA  QB  6.50   (#  1949:20)
 &rst
  ixpk= 1949, nxpk= 20, iat= 791,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr2=1513,1514,1515,
 &end
#
# 126 PHE HD 32 TRP HE1 5.0
 &rst
  ixpk= 1949, nxpk= 20, iat=  -1, 504, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=2006,2014,
 &end
#
# 126 PHE HE 32 TRP HE1 5.0
 &rst
  ixpk= 1949, nxpk= 20, iat=  -1, 504, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=2008,2012,
 &end
#
# 25  LYS  HA  25  LYS  QB  5.00   (#  624:20)
 &rst
  ixpk= 624, nxpk= 20, iat= 386,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 388, 389,
 &end
#
# 126  PHE  QB  25  LYS  QB  5.00   (#  625:20)
 &rst
  ixpk= 625, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=2002,2003,
 igr2= 388, 389,
 &end
#
# 126  PHE  QB  25  LYS  QB  6.00   (#  626:20)
 &rst
  ixpk= 626, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=2002,2003,
 igr2= 388, 389,
 &end
#
# 25  LYS  QG  25  LYS  QB  6.00   (#  627:20)
 &rst
  ixpk= 627, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 391, 392,
 igr2= 388, 389,
 &end
#
# 15  GLU  QG  14  ILE  QG2  7.00   (#  1084:20)
 &rst
  ixpk= 1084, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 244, 245,
 igr2= 224, 225, 226,
 &end
#
# 25  LYS  QB  126  PHE  QB  5.00   (#  2329:20)
 &rst
  ixpk= 2329, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 388, 389,
 igr2=2002,2003,
 &end
#
# 25  LYS  HA  126  PHE  QB  6.00   (#  3302:20)
 &rst
  ixpk= 3302, nxpk= 20, iat= 386,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=2002,2003,
 &end
#
# 25  LYS  HA  126  PHE  QB  6.00   (#  3303:20)
 &rst
  ixpk= 3303, nxpk= 20, iat= 386,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=2002,2003,
 &end
#
# 25  LYS  QB  126  PHE  QB  6.00   (#  3351:20)
 &rst
  ixpk= 3351, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 388, 389,
 igr2=2002,2003,
 &end
#
# 121  ALA  QB  122  ARG  HN   5.00   (#  1072:10)
 &rst
  ixpk= 1072, nxpk= 10, iat=  -1,1924, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1918,1919,1920,
 &end
#
# 123  GLY  HN   121  ALA  QB  6.00   (#  1332:20)
 &rst
  ixpk= 1332, nxpk= 20, iat=1948,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1918,1919,1920,
 &end
#
# 125  LYS  QG  124  TYR  HN   6.00   (#  1826:10)
 &rst
  ixpk= 1826, nxpk= 10, iat=  -1,1955, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1983,1984,
 &end
#
# 121  ALA  QB  122  ARG  HA  5.00   (#  299:20)
 &rst
  ixpk= 299, nxpk= 20, iat=  -1,1926, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1918,1919,1920,
 &end
#
# 107  ASP  HA  107  ASP  QB  5.00   (#  421:20)
 &rst
  ixpk= 421, nxpk= 20, iat=1688,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1690,1691,
 &end
#
# 124  TYR  HA  125  LYS  QG  6.00   (#  3300:20)
 &rst
  ixpk= 3300, nxpk= 20, iat=1957,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1983,1984,
 &end
#
# 15  GLU  HN   11  GLU  HA  6.00   (#  2393:20)
 &rst
  ixpk= 2393, nxpk= 20, iat= 237, 164, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 100  ILE  QD1  97  LEU  HN   6.50   (#  1747:20)
 &rst
  ixpk= 1747, nxpk= 20, iat=  -1,1541, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1=1596,1597,1598,
 &end
#
# 95  ALA  QB  97  LEU  HN   6.50
 &rst
  ixpk= 1747, nxpk= 20, iat=  -1,1541, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1=1513,1514,1515,
 &end
#
# 4  VAL  QG1  5  GLU  HA  5.70   (#  1006:20)
 &rst
  ixpk= 1006, nxpk= 20, iat=  -1,  60, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr1=  48,  49,  50,
 &end
#
# 5  GLU  HN   4  VAL  HB  5.00   (#  1612:20)
 &rst
  ixpk= 1612, nxpk= 20, iat=  58,  46, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 10  ARG  HN   11  GLU  QG  5.00   (#  557:10)
 &rst
  ixpk= 557, nxpk= 10, iat= 138,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 169, 170,
 &end
#
# 7  ASP  QB  9  THR  HN   5.00   (#  1057:10)
 &rst
  ixpk= 1057, nxpk= 10, iat=  -1, 124, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 101, 102,
 &end
#
# 8  GLU  QB  9  THR  HN   5.00   (#1060:10  )
 &rst
  ixpk= 1057, nxpk= 10, iat=  -1, 124, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 113, 114,
 &end
#
# 11  GLU  QB  13  ARG  HN   6.00   (#  1387:10)
 &rst
  ixpk= 1387, nxpk= 10, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 166, 167,
 &end
#
# 11  GLU  QB  11  GLU  HN   5.00   (#  1405:10)
 &rst
  ixpk= 1405, nxpk= 10, iat=  -1, 162, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 166, 167,
 &end
#
# 11  GLU  QB  11  GLU  HA  5.00   (#  2395:20)
 &rst
  ixpk= 2395, nxpk= 20, iat=  -1, 164, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 166, 167,
 &end
#
# 119  TRP  HN   14  ILE  QD1  7.00   (#  2428:20)
 &rst
  ixpk= 2428, nxpk= 20, iat=1871,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 231, 232, 233,
 &end
#
# 74  CYS  HN   71  ASP  HN   7.00   (#  1653:10)
 &rst
  ixpk= 1653, nxpk= 10, iat=1196,1157, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 23  GLU  HN   27  GLU  QB  5.00   (#  3312:20)
 &rst
  ixpk= 3312, nxpk= 20, iat= 357,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 425, 426,
 &end
#
# 13  ARG  QG  11  GLU  HN   7.00   (#  1383:10)
 &rst
  ixpk= 1383, nxpk= 10, iat=  -1, 162, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 201, 202,
 &end
#
# 12  HIS  QB  11  GLU  HN   6.00   (#  1385:10)
 &rst
  ixpk= 1385, nxpk= 10, iat=  -1, 162, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 181, 182,
 &end
#
# 121  ALA  HA  4  VAL  QG1  5.20   (#  1048:20)
 &rst
  ixpk= 1048, nxpk= 20, iat=1916,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr2=  48,  49,  50,
 &end
#
# 122  ARG  HA  4  VAL  QG1  5.00   (#  2214:20)
 &rst
  ixpk= 2214, nxpk= 20, iat=1926,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=  48,  49,  50,
 &end
#
# 11  GLU  QB  13  ARG HN   6.00   (#  1387:10)
 &rst
  ixpk= 1387, nxpk= 10, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 166, 167,
 &end
#
#    0 AMB  60-2:0      119 TRP  HD1         4.00    (#      0:60        Single  0.00, 0.00  )
 &rst
  ixpk= 0, nxpk= 60, iat=  -1,1879, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
      1909,1910,
 &end
#
#  119 TRP  HE1         119 TRP  HD1         3.00    (#      2:60        Unique  2.57, 2.57 A)
 &rst
  ixpk= 2, nxpk= 60, iat=1881,1879, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  119 TRP  HZ2          32 TRP  HD1         5.20    (#      3:60        Unique  5.17, 5.40 A)
 &rst
  ixpk= 3, nxpk= 60, iat=1884, 502, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   32 TRP  HE1          32 TRP  HD1         3.00    (#      4:60        Unique  2.57, 2.57 A)
 &rst
  ixpk= 4, nxpk= 60, iat= 504, 502, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  60-2:5       32 TRP  HD1         6.00    (#      5:60        Single  0.00, 0.00  )
 &rst
  ixpk= 5, nxpk= 60, iat=  -1, 502, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 460, 507,
 &end
#
#   29 ALA  MB           32 TRP  HD1         5.60    (#      6:60        Unique  6.08, 7.09 A)
 &rst
  ixpk= 6, nxpk= 60, iat=  -1, 502, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 464, 465, 466,
 &end
#
#   19 ILE  QG2          32 TRP  HD1         4.00    (#      7:60        Unique  1.85, 2.81 A)
 &rst
  ixpk= 7, nxpk= 60, iat=  -1, 502, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 306, 307, 308,
 &end
#
#    0 AMB  60-2:8       33 TYR  HD          4.00    (#      8:60        Single  0.00, 0.00  )
 &rst
  ixpk= 8, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 528, 533, 549, 554,
 igr2= 526, 535,
 &end
#
#    0 AMB  60-2:9       33 TYR  HE          3.00    (#      9:60        Single  0.00, 0.00  )
 &rst
  ixpk= 9, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 547, 556,1196,
 igr2= 528, 533,
 &end
#
#   68 MET  HG-          33 TYR  HE          5.00    (#     10:60        Unique  1.96, 4.32 A)
 &rst
  ixpk= 10, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1123,1124,
 igr2= 528, 533,
 &end
#
#   34 TYR  HE           34 TYR  HD          3.00    (#     11:60        Unique  2.46, 3.69 A)
 &rst
  ixpk= 11, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 549, 554,
 igr2= 547, 556,
 &end
#
#   34 TYR  HA           34 TYR  HD          4.00    (#     12:60        Unique  2.59, 3.37 A)
 &rst
  ixpk= 12, nxpk= 60, iat= 541,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 547, 556,
 &end
#
#   34 TYR  HB+          34 TYR  HD          4.00    (#     13:60        Unique  2.30, 3.06 A)
 &rst
  ixpk= 13, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 543, 544,
 igr2= 547, 556,
 &end
#
#   34 TYR  HB-          34 TYR  HD          4.00    (#     14:60        Unique  2.30, 3.06 A)
 &rst
  ixpk= 14, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 543, 544,
 igr2= 547, 556,
 &end
#
#    0 AMB  60-2:15      34 TYR  HD          6.00    (#     15:60        Single  0.00, 0.00  )
 &rst
  ixpk= 15, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1161,1162, 585, 586,1123,1124,
 igr2= 547, 556,
 &end
#
#   68 MET  ME           34 TYR  HD          6.00    (#     16:60        Unique  5.91, 8.99 A)
 &rst
  ixpk= 16, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1127,1128,1129,
 igr2= 547, 556,
 &end
#
#   34 TYR  HD           34 TYR  HE          3.00    (#     17:60        Unique  2.46, 3.69 A)
 &rst
  ixpk= 17, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 547, 556,
 igr2= 549, 554,
 &end
#
#   48 TRP  HE1          48 TRP  HZ2         5.00    (#     19:60        Unique  2.82, 2.82 A)
 &rst
  ixpk= 19, nxpk= 60, iat= 782, 785, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   48 TRP  HH2          48 TRP  HZ2         3.00    (#     20:60        Unique  2.46, 2.46 A)
 &rst
  ixpk= 20, nxpk= 60, iat= 787, 785, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   95 ALA  MB           48 TRP  HZ2         6.00    (#     21:60        Unique  2.90, 3.71 A)
 &rst
  ixpk= 21, nxpk= 60, iat=  -1, 785, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1513,1514,1515,
 &end
#
#   96 LYS  HN           48 TRP  HZ2         4.50    (#     23:60        Unique  3.69, 4.07 A)
 &rst
  ixpk= 23, nxpk= 60, iat=1519, 785, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  60-2:24      35 TYR  HD          6.00    (#     24:60        Single  0.00, 0.00  )
 &rst
  ixpk= 24, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1= 590, 591, 592, 594, 595, 596, 630, 631, 632,
 igr2= 568, 577,
 &end
#
#   79 TYR  HB-          79 TYR  HD          3.50    (#     25:60        Unique  2.31, 3.05 A)
 &rst
  ixpk= 25, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1281,1282,
 igr2=1285,1294,
 &end
#
#   93 TYR  HB-          93 TYR  HD          4.50    (#     26:60        Unique  2.31, 3.06 A)
 &rst
  ixpk= 26, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1478,1479,
 igr2=1482,1491,
 &end
#
#   93 TYR  HB+          93 TYR  HD          4.50    (#     27:60        Unique  2.31, 3.06 A)
 &rst
  ixpk= 27, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1478,1479,
 igr2=1482,1491,
 &end
#
#   93 TYR  HA           93 TYR  HD          5.00    (#     29:60        Unique  2.30, 3.72 A)
 &rst
  ixpk= 29, nxpk= 60, iat=1476,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1482,1491,
 &end
#
#   94 THR  MG2          79 TYR  HD          4.00    (#     30:60        Unique  1.95, 4.65 A)
 &rst
  ixpk= 30, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1501,1502,1503,
 igr2=1285,1294,
 &end
#
#    0 AMB  60-2:31      44 PHE  HD          4.00    (#     31:60        Single  0.00, 0.00  )
 &rst
  ixpk= 31, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 682, 686, 716, 720,
 igr2= 714, 722,
 &end
#
#    0 AMB  60-2:32      44 PHE  HD          3.50    (#     32:60        Single  0.00, 0.00  )
 &rst
  ixpk= 32, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 710, 711, 710, 711,
 igr2= 714, 722,
 &end
#
#  105 VAL  MGY          44 PHE  HD          4.00    (#     33:60        Unique  2.01, 5.77 A)
 &rst
  ixpk= 33, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1664,1665,1666,1668,1669,1670,
 igr2= 714, 722,
 &end
#
#   48 TRP  HE1          48 TRP  HD1         3.00    (#     34:60        Unique  2.57, 2.57 A)
 &rst
  ixpk= 34, nxpk= 60, iat= 782, 780, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   49 LYS  HN           48 TRP  HD1         3.50    (#     35:60        Unique  2.77, 2.92 A)
 &rst
  ixpk= 35, nxpk= 60, iat= 796, 780, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  100 ILE  QD1          48 TRP  HD1         5.00    (#     36:60        Unique  3.47, 5.85 A)
 &rst
  ixpk= 36, nxpk= 60, iat=  -1, 780, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1596,1597,1598,
 &end
#
#   99 ASP  HB+          48 TRP  HD1         4.50    (#     37:60        Unique  2.62, 3.69 A)
 &rst
  ixpk= 37, nxpk= 60, iat=  -1, 780, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1575,1576,
 &end
#
#   99 ASP  HB-          48 TRP  HD1         4.20    (#     38:60        Unique  2.62, 3.69 A)
 &rst
  ixpk= 38, nxpk= 60, iat=  -1, 780, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1=1575,1576,
 &end
#
#  124 TYR  HE          116 TRP  HZ2         5.00    (#     39:60        Unique  2.99, 5.47 A)
 &rst
  ixpk= 39, nxpk= 60, iat=  -1,1820, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1965,1970,
 &end
#
#    0 AMB  60-2:40     116 TRP  HZ2         4.50    (#     40:60        Single  0.00, 0.00  )
 &rst
  ixpk= 40, nxpk= 60, iat=  -1,1820, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
      1909,1910,
 &end
#
#  120 LEU  MDY          79 TYR  HD          7.50    (#     41:60        Unique  5.91, 9.45 A)
 &rst
  ixpk= 41, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.35, r4=11.85,
 igr1=1904,1905,1906,1908,1909,1910,
 igr2=1285,1294,
 &end
#
#   82 VAL  MGX          93 TYR  HD          6.50    (#     42:60        Unique  1.97, 6.26 A)
 &rst
  ixpk= 42, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.84, r4=10.34,
 igr1=1335,1336,1337,1339,1340,1341,
 igr2=1482,1491,
 &end
#
#   94 THR  HB           79 TYR  HD          5.00    (#     43:60        Unique  2.05, 4.45 A)
 &rst
  ixpk= 43, nxpk= 60, iat=1499,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1285,1294,
 &end
#
#    0 AMB  60-2:45      79 TYR  HD          6.00    (#     45:60        Single  0.00, 0.00  )
 &rst
  ixpk= 45, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1262,1300,
 igr2=1285,1294,
 &end
#
#   79 TYR  HA           79 TYR  HD          4.20    (#     46:60        Unique  3.14, 3.70 A)
 &rst
  ixpk= 46, nxpk= 60, iat=1279,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2=1285,1294,
 &end
#
#   96 LYS  HN           79 TYR  HD          5.00    (#     48:60        Unique  5.64, 6.76 A)
 &rst
  ixpk= 48, nxpk= 60, iat=1519,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1285,1294,
 &end
#
#   93 TYR  HN           93 TYR  HD          5.00    (#     49:60        Unique  1.94, 3.51 A)
 &rst
  ixpk= 49, nxpk= 60, iat=1474,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1482,1491,
 &end
#
#    0 AMB  60-2:50      93 TYR  HD          7.00    (#     50:60        Single  0.00, 0.00  )
 &rst
  ixpk= 50, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1355,1345,
 igr2=1482,1491,
 &end
#
#   94 THR  HN           93 TYR  HD          6.00    (#     51:60        Unique  4.49, 4.99 A)
 &rst
  ixpk= 51, nxpk= 60, iat=1495,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1482,1491,
 &end
#
#   73 GLU  HB-          79 TYR  HE          5.00    (#     52:60        Unique  2.16, 6.05 A)
 &rst
  ixpk= 52, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1185,1186,
 igr2=1287,1292,
 &end
#
#    0 AMB  60-2:53       0 AMB  60-1:53     6.00    (#     53:60        Double  0.00, 0.00  )
 &rst
  ixpk= 53, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1=1239,1240, 543, 544,
 igr2=1287,1292, 549, 554,
 &end
#
#   93 TYR  HE           93 TYR  HD          4.50    (#     54:60        Unique  2.46, 3.69 A)
 &rst
  ixpk= 54, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1484,1489,
 igr2=1482,1491,
 &end
#
#   84 ASP  HN           93 TYR  HE          6.00    (#     55:60        Unique  2.46, 4.50 A)
 &rst
  ixpk= 55, nxpk= 60, iat=1355,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1484,1489,
 &end
#
#   93 TYR  HN           93 TYR  HE          6.50    (#     56:60        Unique  3.91, 4.93 A)
 &rst
  ixpk= 56, nxpk= 60, iat=1474,  -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr2=1484,1489,
 &end
#
#   93 TYR  HB-          93 TYR  HE          6.00    (#     57:60        Unique  4.62, 5.05 A)
 &rst
  ixpk= 57, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1478,1479,
 igr2=1484,1489,
 &end
#
#   82 VAL  MGX          93 TYR  HE          7.50    (#     58:60        Unique  2.65, 7.42 A)
 &rst
  ixpk= 58, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.35, r4=11.85,
 igr1=1335,1336,1337,1339,1340,1341,
 igr2=1484,1489,
 &end
#
#   97 LEU  MDY         116 TRP  HD1         5.00    (#     59:60        Unique  2.31, 5.33 A)
 &rst
  ixpk= 59, nxpk= 60, iat=  -1,1815, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1550,1551,1552,1554,1555,1556,
 &end
#
#   78 MET  HG-         116 TRP  HD1         5.00    (#     60:60        Unique  2.15, 5.30 A)
 &rst
  ixpk= 60, nxpk= 60, iat=  -1,1815, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1267,1268,
 &end
#
#    0 AMB  60-2:61     116 TRP  HD1         5.00    (#     61:60        Single  0.00, 0.00  )
 &rst
  ixpk= 61, nxpk= 60, iat=  -1,1815, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1264,1265,1548,
 &end
#
#  120 LEU  MDY         116 TRP  HD1         6.00    (#     62:60        Unique  3.73, 6.48 A)
 &rst
  ixpk= 62, nxpk= 60, iat=  -1,1815, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1904,1905,1906,1908,1909,1910,
 &end
#
#  116 TRP  HE1         116 TRP  HD1         4.20    (#     63:60        Unique  2.57, 2.57 A)
 &rst
  ixpk= 63, nxpk= 60, iat=1817,1815, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  126 PHE  HN          124 TYR  HD          4.00    (#     64:60        Unique  1.84, 3.64 A)
 &rst
  ixpk= 64, nxpk= 60, iat=1998,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1963,1972,
 &end
#
#  125 LYS  HN          124 TYR  HD          4.00    (#     65:60        Unique  1.88, 3.26 A)
 &rst
  ixpk= 65, nxpk= 60, iat=1976,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1963,1972,
 &end
#
#  124 TYR  HA          124 TYR  HD          4.50    (#     66:60        Unique  1.89, 4.06 A)
 &rst
  ixpk= 66, nxpk= 60, iat=1957,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1963,1972,
 &end
#
#  119 TRP  HA          124 TYR  HD          5.50    (#     67:60        Unique  5.93, 7.31 A)
 &rst
  ixpk= 67, nxpk= 60, iat=1873,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1963,1972,
 &end
#
#  125 LYS  HA          124 TYR  HD          5.70    (#     68:60        Unique  3.35, 4.86 A)
 &rst
  ixpk= 68, nxpk= 60, iat=1978,  -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr2=1963,1972,
 &end
#
#   44 PHE  HD           44 PHE  HE          4.00    (#     69:60        Unique  2.46, 3.69 A)
 &rst
  ixpk= 69, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 714, 722,
 igr2= 716, 720,
 &end
#
#   65 VAL  MGX          44 PHE  HE          4.00    (#     70:60        Unique  1.99, 4.35 A)
 &rst
  ixpk= 70, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1080,1081,1082,1084,1085,1086,
 igr2= 716, 720,
 &end
#
#    0 AMB  60-2:71      44 PHE  HE          4.00    (#     71:60        Single  0.00, 0.00  )
 &rst
  ixpk= 71, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1779,1780,1781,1664,1665,1666,1668,1669,1670,
 igr2= 716, 720,
 &end
#
#    0 AMB  60-2:72      44 PHE  HE          4.00    (#     72:60        Single  0.00, 0.00  )
 &rst
  ixpk= 72, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1776,1777,1078,
 igr2= 716, 720,
 &end
#
#  102 ALA  MB           44 PHE  HE          5.00    (#     73:60        Unique  2.39, 5.53 A)
 &rst
  ixpk= 73, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1621,1622,1623,
 igr2= 716, 720,
 &end
#
#    0 AMB  60-2:74     119 TRP  HZ2         4.00    (#     74:60        Single  0.00, 0.00  )
 &rst
  ixpk= 74, nxpk= 60, iat=  -1,1884, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=2006,2014, 507,
 &end
#
#  124 TYR  HB-         124 TYR  HD          3.50    (#     76:60        Unique  2.30, 3.06 A)
 &rst
  ixpk= 76, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1959,1960,
 igr2=1963,1972,
 &end
#
#  124 TYR  HB+         124 TYR  HD          3.50    (#     77:60        Unique  2.30, 3.06 A)
 &rst
  ixpk= 77, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1959,1960,
 igr2=1963,1972,
 &end
#
#  126 PHE  HE          126 PHE  HD          4.20    (#     78:60        Unique  2.46, 3.69 A)
 &rst
  ixpk= 78, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1=2008,2012,
 igr2=2006,2014,
 &end
#
#   93 TYR  HB-          48 TRP  HH2         4.50    (#     81:60        Unique  2.22, 2.97 A)
 &rst
  ixpk= 81, nxpk= 60, iat=  -1, 787, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1478,1479,
 &end
#
#    0 AMB  60-2:82      48 TRP  HH2         6.00    (#     82:60        Single  0.00, 0.00  )
 &rst
  ixpk= 82, nxpk= 60, iat=  -1, 787, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1478,1479,1532,1533,
 &end
#
#   48 TRP  HZ3          48 TRP  HH2         3.00    (#     83:60        Unique  2.44, 2.44 A)
 &rst
  ixpk= 83, nxpk= 60, iat= 789, 787, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   48 TRP  HZ2          48 TRP  HH2         3.00    (#     84:60        Unique  2.46, 2.46 A)
 &rst
  ixpk= 84, nxpk= 60, iat= 785, 787, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   48 TRP  HA           48 TRP  HD1         3.50    (#     85:60        Unique  2.56, 2.74 A)
 &rst
  ixpk= 85, nxpk= 60, iat= 774, 780, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   35 TYR  HA           35 TYR  HD          4.00    (#     91:60        Unique  2.11, 3.68 A)
 &rst
  ixpk= 91, nxpk= 60, iat= 562,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 568, 577,
 &end
#
#   35 TYR  HB-          35 TYR  HD          3.50    (#     92:60        Unique  2.31, 3.05 A)
 &rst
  ixpk= 92, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 564, 565,
 igr2= 568, 577,
 &end
#
#   35 TYR  HB+          35 TYR  HD          3.50    (#     93:60        Unique  2.31, 3.05 A)
 &rst
  ixpk= 93, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 564, 565,
 igr2= 568, 577,
 &end
#
#    0 AMB  60-2:94      35 TYR  HD          7.00    (#     94:60        Single  0.00, 0.00  )
 &rst
  ixpk= 94, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 588, 604, 605,
 igr2= 568, 577,
 &end
#
#  chirality for residue 1 atoms:  CA CG HB2 HB3
 &rst iat=5,10,8,9, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 150., rk3=150.,  &end
#
#  chirality for residue 1 atoms:  CB SD HG2 HG3
 &rst iat=7,13,11,12, &end
#
#  chirality for residue 1 atoms:  N C HA CB
 &rst iat=1,18,6,7, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=20,28,23,24, &end
#
#  chirality for residue 3 atoms:  CA OG HB2 HB3
 &rst iat=32,37,35,36, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=30,39,33,34, &end
#
#  chirality for residue 4 atoms:  CA CG1 CG2 HB
 &rst iat=43,47,51,46, &end
#
#  chirality for residue 4 atoms:  N C HA CB
 &rst iat=41,55,44,45, &end
#
#  chirality for residue 5 atoms:  CA CG HB2 HB3
 &rst iat=59,64,62,63, &end
#
#  chirality for residue 5 atoms:  CB CD HG2 HG3
 &rst iat=61,67,65,66, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=57,70,60,61, &end
#
#  chirality for residue 6 atoms:  CA CG HB2 HB3
 &rst iat=74,79,77,78, &end
#
#  chirality for residue 6 atoms:  CB CD HG2 HG3
 &rst iat=76,82,80,81, &end
#
#  chirality for residue 6 atoms:  CG NE HD2 HD3
 &rst iat=79,85,83,84, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=72,94,75,76, &end
#
#  chirality for residue 7 atoms:  CA CG HB2 HB3
 &rst iat=98,103,101,102, &end
#
#  chirality for residue 7 atoms:  N C HA CB
 &rst iat=96,106,99,100, &end
#
#  chirality for residue 8 atoms:  CA CG HB2 HB3
 &rst iat=110,115,113,114, &end
#
#  chirality for residue 8 atoms:  CB CD HG2 HG3
 &rst iat=112,118,116,117, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=108,121,111,112, &end
#
#  chirality for residue 9 atoms:  CA CG2 OG1 HB
 &rst iat=125,129,133,128, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=123,135,126,127, &end
#
#  chirality for residue 10 atoms:  CA CG HB2 HB3
 &rst iat=139,144,142,143, &end
#
#  chirality for residue 10 atoms:  CB CD HG2 HG3
 &rst iat=141,147,145,146, &end
#
#  chirality for residue 10 atoms:  CG NE HD2 HD3
 &rst iat=144,150,148,149, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=137,159,140,141, &end
#
#  chirality for residue 11 atoms:  CA CG HB2 HB3
 &rst iat=163,168,166,167, &end
#
#  chirality for residue 11 atoms:  CB CD HG2 HG3
 &rst iat=165,171,169,170, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=161,174,164,165, &end
#
#  chirality for residue 12 atoms:  CA CG HB2 HB3
 &rst iat=178,183,181,182, &end
#
#  chirality for residue 12 atoms:  N C HA CB
 &rst iat=176,191,179,180, &end
#
#  chirality for residue 13 atoms:  CA CG HB2 HB3
 &rst iat=195,200,198,199, &end
#
#  chirality for residue 13 atoms:  CB CD HG2 HG3
 &rst iat=197,203,201,202, &end
#
#  chirality for residue 13 atoms:  CG NE HD2 HD3
 &rst iat=200,206,204,205, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=193,215,196,197, &end
#
#  chirality for residue 14 atoms:  CA CG2 CG1 HB
 &rst iat=219,223,227,222, &end
#
#  chirality for residue 14 atoms:  CB CD1 HG12 HG13
 &rst iat=221,230,228,229, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=217,234,220,221, &end
#
#  chirality for residue 15 atoms:  CA CG HB2 HB3
 &rst iat=238,243,241,242, &end
#
#  chirality for residue 15 atoms:  CB CD HG2 HG3
 &rst iat=240,246,244,245, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat=236,249,239,240, &end
#
#  chirality for residue 16 atoms:  CA CG2 OG1 HB
 &rst iat=253,257,261,256, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=251,263,254,255, &end
#
#  chirality for residue 17 atoms:  CA CG HB2 HB3
 &rst iat=267,272,270,271, &end
#
#  chirality for residue 17 atoms:  CB CD HG2 HG3
 &rst iat=269,275,273,274, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=265,278,268,269, &end
#
#  chirality for residue 18 atoms:  CA CG2 CG1 HB
 &rst iat=282,286,290,285, &end
#
#  chirality for residue 18 atoms:  CB CD1 HG12 HG13
 &rst iat=284,293,291,292, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=280,297,283,284, &end
#
#  chirality for residue 19 atoms:  CA CG2 CG1 HB
 &rst iat=301,305,309,304, &end
#
#  chirality for residue 19 atoms:  CB CD1 HG12 HG13
 &rst iat=303,312,310,311, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=299,316,302,303, &end
#
#  chirality for residue 20 atoms:  CA CG1 CG2 HB
 &rst iat=320,324,328,323, &end
#
#  chirality for residue 20 atoms:  N C HA CB
 &rst iat=318,332,321,322, &end
#
#  chirality for residue 21 atoms:  CA CG HB2 HB3
 &rst iat=336,341,339,340, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=334,344,337,338, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=346,354,349,350, &end
#
#  chirality for residue 23 atoms:  CA CG HB2 HB3
 &rst iat=358,363,361,362, &end
#
#  chirality for residue 23 atoms:  CB CD HG2 HG3
 &rst iat=360,366,364,365, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=356,369,359,360, &end
#
#  chirality for residue 24 atoms:  CA CG HB2 HB3
 &rst iat=373,378,376,377, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=371,381,374,375, &end
#
#  chirality for residue 25 atoms:  CA CG HB2 HB3
 &rst iat=385,390,388,389, &end
#
#  chirality for residue 25 atoms:  CB CD HG2 HG3
 &rst iat=387,393,391,392, &end
#
#  chirality for residue 25 atoms:  CD NZ HE2 HE3
 &rst iat=393,399,397,398, &end
#
#  chirality for residue 25 atoms:  CG CE HD2 HD3
 &rst iat=390,396,394,395, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=383,403,386,387, &end
#
#  chirality for residue 26 atoms:  CA CG HB2 HB3
 &rst iat=407,412,410,411, &end
#
#  chirality for residue 26 atoms:  CB CD HG2 HG3
 &rst iat=409,415,413,414, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=405,418,408,409, &end
#
#  chirality for residue 27 atoms:  CA CG HB2 HB3
 &rst iat=422,427,425,426, &end
#
#  chirality for residue 27 atoms:  CB CD HG2 HG3
 &rst iat=424,430,428,429, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=420,433,423,424, &end
#
#  chirality for residue 28 atoms:  CA CG HB2 HB3
 &rst iat=437,442,440,441, &end
#
#  chirality for residue 28 atoms:  CB CD HG2 HG3
 &rst iat=439,445,443,444, &end
#
#  chirality for residue 28 atoms:  CG NE HD2 HD3
 &rst iat=442,448,446,447, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat=435,457,438,439, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=459,467,462,463, &end
#
#  chirality for residue 30 atoms:  CA CG HB2 HB3
 &rst iat=471,476,474,475, &end
#
#  chirality for residue 30 atoms:  CB SD HG2 HG3
 &rst iat=473,479,477,478, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=469,484,472,473, &end
#
#  chirality for residue 31 atoms:  N C HA2 HA3
 &rst iat=486,491,489,490, &end
#
#  chirality for residue 32 atoms:  CA CG HB2 HB3
 &rst iat=495,500,498,499, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=493,515,496,497, &end
#
#  chirality for residue 33 atoms:  CA CG HB2 HB3
 &rst iat=519,524,522,523, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=517,536,520,521, &end
#
#  chirality for residue 34 atoms:  CA CG HB2 HB3
 &rst iat=540,545,543,544, &end
#
#  chirality for residue 34 atoms:  N C HA CB
 &rst iat=538,557,541,542, &end
#
#  chirality for residue 35 atoms:  CA CG HB2 HB3
 &rst iat=561,566,564,565, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=559,578,562,563, &end
#
#  chirality for residue 36 atoms:  CA CG HB2 HB3
 &rst iat=582,587,585,586, &end
#
#  chirality for residue 36 atoms:  CB CD1 CD2 HG
 &rst iat=584,589,593,588, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=580,597,583,584, &end
#
#  chirality for residue 37 atoms:  CA CG HB2 HB3
 &rst iat=601,606,604,605, &end
#
#  chirality for residue 37 atoms:  N C HA CB
 &rst iat=599,609,602,603, &end
#
#  chirality for residue 38 atoms:  CA CG HB2 HB3
 &rst iat=613,618,616,617, &end
#
#  chirality for residue 38 atoms:  N C HA CB
 &rst iat=611,621,614,615, &end
#
#  chirality for residue 39 atoms:  CA CG2 OG1 HB
 &rst iat=625,629,633,628, &end
#
#  chirality for residue 39 atoms:  N C HA CB
 &rst iat=623,635,626,627, &end
#
#  chirality for residue 40 atoms:  CA CG HB2 HB3
 &rst iat=639,644,642,643, &end
#
#  chirality for residue 40 atoms:  CB CD1 CD2 HG
 &rst iat=641,646,650,645, &end
#
#  chirality for residue 40 atoms:  N C HA CB
 &rst iat=637,654,640,641, &end
#
#  chirality for residue 41 atoms:  CA CG HB2 HB3
 &rst iat=658,663,661,662, &end
#
#  chirality for residue 41 atoms:  CB CD HG2 HG3
 &rst iat=660,666,664,665, &end
#
#  chirality for residue 41 atoms:  N C HA CB
 &rst iat=656,669,659,660, &end
#
#  chirality for residue 42 atoms:  CA CG HB2 HB3
 &rst iat=673,678,676,677, &end
#
#  chirality for residue 42 atoms:  N C HA CB
 &rst iat=671,689,674,675, &end
#
#  chirality for residue 43 atoms:  CA CG HB2 HB3
 &rst iat=701,695,699,700, &end
#
#  chirality for residue 43 atoms:  CB CD HG2 HG3
 &rst iat=698,692,696,697, &end
#
#  chirality for residue 43 atoms:  CG N HD2 HD3
 &rst iat=695,691,693,694, &end
#
#  chirality for residue 43 atoms:  N C HA CB
 &rst iat=691,703,702,698, &end
#
#  chirality for residue 44 atoms:  CA CG HB2 HB3
 &rst iat=707,712,710,711, &end
#
#  chirality for residue 44 atoms:  N C HA CB
 &rst iat=705,723,708,709, &end
#
#  chirality for residue 45 atoms:  CA CG HB2 HB3
 &rst iat=727,732,730,731, &end
#
#  chirality for residue 45 atoms:  CB SD HG2 HG3
 &rst iat=729,735,733,734, &end
#
#  chirality for residue 45 atoms:  N C HA CB
 &rst iat=725,740,728,729, &end
#
#  chirality for residue 46 atoms:  N C HA2 HA3
 &rst iat=742,747,745,746, &end
#
#  chirality for residue 47 atoms:  CA CG HB2 HB3
 &rst iat=751,756,754,755, &end
#
#  chirality for residue 47 atoms:  CB CD HG2 HG3
 &rst iat=753,759,757,758, &end
#
#  chirality for residue 47 atoms:  CD NZ HE2 HE3
 &rst iat=759,765,763,764, &end
#
#  chirality for residue 47 atoms:  CG CE HD2 HD3
 &rst iat=756,762,760,761, &end
#
#  chirality for residue 47 atoms:  N C HA CB
 &rst iat=749,769,752,753, &end
#
#  chirality for residue 48 atoms:  CA CG HB2 HB3
 &rst iat=773,778,776,777, &end
#
#  chirality for residue 48 atoms:  N C HA CB
 &rst iat=771,793,774,775, &end
#
#  chirality for residue 49 atoms:  CA CG HB2 HB3
 &rst iat=797,802,800,801, &end
#
#  chirality for residue 49 atoms:  CB CD HG2 HG3
 &rst iat=799,805,803,804, &end
#
#  chirality for residue 49 atoms:  CD NZ HE2 HE3
 &rst iat=805,811,809,810, &end
#
#  chirality for residue 49 atoms:  CG CE HD2 HD3
 &rst iat=802,808,806,807, &end
#
#  chirality for residue 49 atoms:  N C HA CB
 &rst iat=795,815,798,799, &end
#
#  chirality for residue 50 atoms:  CA CG HB2 HB3
 &rst iat=819,824,822,823, &end
#
#  chirality for residue 50 atoms:  CB CD HG2 HG3
 &rst iat=821,827,825,826, &end
#
#  chirality for residue 50 atoms:  CD NZ HE2 HE3
 &rst iat=827,833,831,832, &end
#
#  chirality for residue 50 atoms:  CG CE HD2 HD3
 &rst iat=824,830,828,829, &end
#
#  chirality for residue 50 atoms:  N C HA CB
 &rst iat=817,837,820,821, &end
#
#  chirality for residue 51 atoms:  CA CG HB2 HB3
 &rst iat=841,846,844,845, &end
#
#  chirality for residue 51 atoms:  CB CD HG2 HG3
 &rst iat=843,849,847,848, &end
#
#  chirality for residue 51 atoms:  CD NZ HE2 HE3
 &rst iat=849,855,853,854, &end
#
#  chirality for residue 51 atoms:  CG CE HD2 HD3
 &rst iat=846,852,850,851, &end
#
#  chirality for residue 51 atoms:  N C HA CB
 &rst iat=839,859,842,843, &end
#
#  chirality for residue 52 atoms:  CA OG HB2 HB3
 &rst iat=863,868,866,867, &end
#
#  chirality for residue 52 atoms:  N C HA CB
 &rst iat=861,870,864,865, &end
#
#  chirality for residue 53 atoms:  CA CG HB2 HB3
 &rst iat=874,879,877,878, &end
#
#  chirality for residue 53 atoms:  CB CD HG2 HG3
 &rst iat=876,882,880,881, &end
#
#  chirality for residue 53 atoms:  CG NE HD2 HD3
 &rst iat=879,885,883,884, &end
#
#  chirality for residue 53 atoms:  N C HA CB
 &rst iat=872,894,875,876, &end
#
#  chirality for residue 54 atoms:  CA CG HB2 HB3
 &rst iat=898,903,901,902, &end
#
#  chirality for residue 54 atoms:  CB CD HG2 HG3
 &rst iat=900,906,904,905, &end
#
#  chirality for residue 54 atoms:  CD NZ HE2 HE3
 &rst iat=906,912,910,911, &end
#
#  chirality for residue 54 atoms:  CG CE HD2 HD3
 &rst iat=903,909,907,908, &end
#
#  chirality for residue 54 atoms:  N C HA CB
 &rst iat=896,916,899,900, &end
#
#  chirality for residue 55 atoms:  CA CG2 OG1 HB
 &rst iat=920,924,928,923, &end
#
#  chirality for residue 55 atoms:  N C HA CB
 &rst iat=918,930,921,922, &end
#
#  chirality for residue 56 atoms:  CA OG HB2 HB3
 &rst iat=934,939,937,938, &end
#
#  chirality for residue 56 atoms:  N C HA CB
 &rst iat=932,941,935,936, &end
#
#  chirality for residue 57 atoms:  CA CG2 OG1 HB
 &rst iat=945,949,953,948, &end
#
#  chirality for residue 57 atoms:  N C HA CB
 &rst iat=943,955,946,947, &end
#
#  chirality for residue 58 atoms:  CA CG2 CG1 HB
 &rst iat=959,963,967,962, &end
#
#  chirality for residue 58 atoms:  CB CD1 HG12 HG13
 &rst iat=961,970,968,969, &end
#
#  chirality for residue 58 atoms:  N C HA CB
 &rst iat=957,974,960,961, &end
#
#  chirality for residue 59 atoms:  CA CG HB2 HB3
 &rst iat=978,983,981,982, &end
#
#  chirality for residue 59 atoms:  CB CD HG2 HG3
 &rst iat=980,986,984,985, &end
#
#  chirality for residue 59 atoms:  N C HA CB
 &rst iat=976,989,979,980, &end
#
#  chirality for residue 60 atoms:  CA CG HB2 HB3
 &rst iat=993,998,996,997, &end
#
#  chirality for residue 60 atoms:  CB CD HG2 HG3
 &rst iat=995,1001,999,1000, &end
#
#  chirality for residue 60 atoms:  N C HA CB
 &rst iat=991,1004,994,995, &end
#
#  chirality for residue 61 atoms:  CA CG HB2 HB3
 &rst iat=1008,1013,1011,1012, &end
#
#  chirality for residue 61 atoms:  CB CD HG2 HG3
 &rst iat=1010,1016,1014,1015, &end
#
#  chirality for residue 61 atoms:  CD NZ HE2 HE3
 &rst iat=1016,1022,1020,1021, &end
#
#  chirality for residue 61 atoms:  CG CE HD2 HD3
 &rst iat=1013,1019,1017,1018, &end
#
#  chirality for residue 61 atoms:  N C HA CB
 &rst iat=1006,1026,1009,1010, &end
#
#  chirality for residue 62 atoms:  CA CG2 OG1 HB
 &rst iat=1030,1034,1038,1033, &end
#
#  chirality for residue 62 atoms:  N C HA CB
 &rst iat=1028,1040,1031,1032, &end
#
#  chirality for residue 63 atoms:  CA CG1 CG2 HB
 &rst iat=1044,1048,1052,1047, &end
#
#  chirality for residue 63 atoms:  N C HA CB
 &rst iat=1042,1056,1045,1046, &end
#
#  chirality for residue 64 atoms:  CA CG HB2 HB3
 &rst iat=1060,1065,1063,1064, &end
#
#  chirality for residue 64 atoms:  CB CD HG2 HG3
 &rst iat=1062,1068,1066,1067, &end
#
#  chirality for residue 64 atoms:  N C HA CB
 &rst iat=1058,1071,1061,1062, &end
#
#  chirality for residue 65 atoms:  CA CG1 CG2 HB
 &rst iat=1075,1079,1083,1078, &end
#
#  chirality for residue 65 atoms:  N C HA CB
 &rst iat=1073,1087,1076,1077, &end
#
#  chirality for residue 66 atoms:  CA CG HB2 HB3
 &rst iat=1091,1096,1094,1095, &end
#
#  chirality for residue 66 atoms:  CB CD1 CD2 HG
 &rst iat=1093,1098,1102,1097, &end
#
#  chirality for residue 66 atoms:  N C HA CB
 &rst iat=1089,1106,1092,1093, &end
#
#  chirality for residue 67 atoms:  N C HA2 HA3
 &rst iat=1108,1113,1111,1112, &end
#
#  chirality for residue 68 atoms:  CA CG HB2 HB3
 &rst iat=1117,1122,1120,1121, &end
#
#  chirality for residue 68 atoms:  CB SD HG2 HG3
 &rst iat=1119,1125,1123,1124, &end
#
#  chirality for residue 68 atoms:  N C HA CB
 &rst iat=1115,1130,1118,1119, &end
#
#  chirality for residue 69 atoms:  N C HA CB
 &rst iat=1132,1140,1135,1136, &end
#
#  chirality for residue 70 atoms:  CA CG HB2 HB3
 &rst iat=1152,1146,1150,1151, &end
#
#  chirality for residue 70 atoms:  CB CD HG2 HG3
 &rst iat=1149,1143,1147,1148, &end
#
#  chirality for residue 70 atoms:  CG N HD2 HD3
 &rst iat=1146,1142,1144,1145, &end
#
#  chirality for residue 70 atoms:  N C HA CB
 &rst iat=1142,1154,1153,1149, &end
#
#  chirality for residue 71 atoms:  CA CG HB2 HB3
 &rst iat=1158,1163,1161,1162, &end
#
#  chirality for residue 71 atoms:  N C HA CB
 &rst iat=1156,1166,1159,1160, &end
#
#  chirality for residue 72 atoms:  CA CG HB2 HB3
 &rst iat=1170,1175,1173,1174, &end
#
#  chirality for residue 72 atoms:  N C HA CB
 &rst iat=1168,1178,1171,1172, &end
#
#  chirality for residue 73 atoms:  CA CG HB2 HB3
 &rst iat=1182,1187,1185,1186, &end
#
#  chirality for residue 73 atoms:  CB CD HG2 HG3
 &rst iat=1184,1190,1188,1189, &end
#
#  chirality for residue 73 atoms:  N C HA CB
 &rst iat=1180,1193,1183,1184, &end
#
#  chirality for residue 74 atoms:  CA SG HB2 HB3
 &rst iat=1197,1202,1200,1201, &end
#
#  chirality for residue 74 atoms:  N C HA CB
 &rst iat=1195,1204,1198,1199, &end
#
#  chirality for residue 75 atoms:  CA CG HB2 HB3
 &rst iat=1208,1213,1211,1212, &end
#
#  chirality for residue 75 atoms:  CB CD1 CD2 HG
 &rst iat=1210,1215,1219,1214, &end
#
#  chirality for residue 75 atoms:  N C HA CB
 &rst iat=1206,1223,1209,1210, &end
#
#  chirality for residue 76 atoms:  CA CG HB2 HB3
 &rst iat=1227,1232,1230,1231, &end
#
#  chirality for residue 76 atoms:  CB CD HG2 HG3
 &rst iat=1229,1235,1233,1234, &end
#
#  chirality for residue 76 atoms:  CD NZ HE2 HE3
 &rst iat=1235,1241,1239,1240, &end
#
#  chirality for residue 76 atoms:  CG CE HD2 HD3
 &rst iat=1232,1238,1236,1237, &end
#
#  chirality for residue 76 atoms:  N C HA CB
 &rst iat=1225,1245,1228,1229, &end
#
#  chirality for residue 77 atoms:  CA CG HB2 HB3
 &rst iat=1249,1254,1252,1253, &end
#
#  chirality for residue 77 atoms:  N C HA CB
 &rst iat=1247,1257,1250,1251, &end
#
#  chirality for residue 78 atoms:  CA CG HB2 HB3
 &rst iat=1261,1266,1264,1265, &end
#
#  chirality for residue 78 atoms:  CB SD HG2 HG3
 &rst iat=1263,1269,1267,1268, &end
#
#  chirality for residue 78 atoms:  N C HA CB
 &rst iat=1259,1274,1262,1263, &end
#
#  chirality for residue 79 atoms:  CA CG HB2 HB3
 &rst iat=1278,1283,1281,1282, &end
#
#  chirality for residue 79 atoms:  N C HA CB
 &rst iat=1276,1295,1279,1280, &end
#
#  chirality for residue 80 atoms:  CA CG1 CG2 HB
 &rst iat=1299,1303,1307,1302, &end
#
#  chirality for residue 80 atoms:  N C HA CB
 &rst iat=1297,1311,1300,1301, &end
#
#  chirality for residue 81 atoms:  CA CG HB2 HB3
 &rst iat=1315,1320,1318,1319, &end
#
#  chirality for residue 81 atoms:  CB CD HG2 HG3
 &rst iat=1317,1323,1321,1322, &end
#
#  chirality for residue 81 atoms:  N C HA CB
 &rst iat=1313,1326,1316,1317, &end
#
#  chirality for residue 82 atoms:  CA CG1 CG2 HB
 &rst iat=1330,1334,1338,1333, &end
#
#  chirality for residue 82 atoms:  N C HA CB
 &rst iat=1328,1342,1331,1332, &end
#
#  chirality for residue 83 atoms:  N C HA CB
 &rst iat=1344,1352,1347,1348, &end
#
#  chirality for residue 84 atoms:  CA CG HB2 HB3
 &rst iat=1356,1361,1359,1360, &end
#
#  chirality for residue 84 atoms:  N C HA CB
 &rst iat=1354,1364,1357,1358, &end
#
#  chirality for residue 85 atoms:  CA CG2 CG1 HB
 &rst iat=1368,1372,1376,1371, &end
#
#  chirality for residue 85 atoms:  CB CD1 HG12 HG13
 &rst iat=1370,1379,1377,1378, &end
#
#  chirality for residue 85 atoms:  N C HA CB
 &rst iat=1366,1383,1369,1370, &end
#
#  chirality for residue 86 atoms:  N C HA2 HA3
 &rst iat=1385,1390,1388,1389, &end
#
#  chirality for residue 87 atoms:  N C HA2 HA3
 &rst iat=1392,1397,1395,1396, &end
#
#  chirality for residue 88 atoms:  CA CG HB2 HB3
 &rst iat=1401,1406,1404,1405, &end
#
#  chirality for residue 88 atoms:  CB CD HG2 HG3
 &rst iat=1403,1409,1407,1408, &end
#
#  chirality for residue 88 atoms:  CD NZ HE2 HE3
 &rst iat=1409,1415,1413,1414, &end
#
#  chirality for residue 88 atoms:  CG CE HD2 HD3
 &rst iat=1406,1412,1410,1411, &end
#
#  chirality for residue 88 atoms:  N C HA CB
 &rst iat=1399,1419,1402,1403, &end
#
#  chirality for residue 89 atoms:  CA CG HB2 HB3
 &rst iat=1423,1428,1426,1427, &end
#
#  chirality for residue 89 atoms:  N C HA CB
 &rst iat=1421,1431,1424,1425, &end
#
#  chirality for residue 90 atoms:  CA CG HB2 HB3
 &rst iat=1435,1440,1438,1439, &end
#
#  chirality for residue 90 atoms:  N C HA CB
 &rst iat=1433,1443,1436,1437, &end
#
#  chirality for residue 91 atoms:  CA CG HB2 HB3
 &rst iat=1447,1452,1450,1451, &end
#
#  chirality for residue 91 atoms:  N C HA CB
 &rst iat=1445,1455,1448,1449, &end
#
#  chirality for residue 92 atoms:  CA CG1 CG2 HB
 &rst iat=1459,1463,1467,1462, &end
#
#  chirality for residue 92 atoms:  N C HA CB
 &rst iat=1457,1471,1460,1461, &end
#
#  chirality for residue 93 atoms:  CA CG HB2 HB3
 &rst iat=1475,1480,1478,1479, &end
#
#  chirality for residue 93 atoms:  N C HA CB
 &rst iat=1473,1492,1476,1477, &end
#
#  chirality for residue 94 atoms:  CA CG2 OG1 HB
 &rst iat=1496,1500,1504,1499, &end
#
#  chirality for residue 94 atoms:  N C HA CB
 &rst iat=1494,1506,1497,1498, &end
#
#  chirality for residue 95 atoms:  N C HA CB
 &rst iat=1508,1516,1511,1512, &end
#
#  chirality for residue 96 atoms:  CA CG HB2 HB3
 &rst iat=1520,1525,1523,1524, &end
#
#  chirality for residue 96 atoms:  CB CD HG2 HG3
 &rst iat=1522,1528,1526,1527, &end
#
#  chirality for residue 96 atoms:  CD NZ HE2 HE3
 &rst iat=1528,1534,1532,1533, &end
#
#  chirality for residue 96 atoms:  CG CE HD2 HD3
 &rst iat=1525,1531,1529,1530, &end
#
#  chirality for residue 96 atoms:  N C HA CB
 &rst iat=1518,1538,1521,1522, &end
#
#  chirality for residue 97 atoms:  CA CG HB2 HB3
 &rst iat=1542,1547,1545,1546, &end
#
#  chirality for residue 97 atoms:  CB CD1 CD2 HG
 &rst iat=1544,1549,1553,1548, &end
#
#  chirality for residue 97 atoms:  N C HA CB
 &rst iat=1540,1557,1543,1544, &end
#
#  chirality for residue 98 atoms:  CA OG HB2 HB3
 &rst iat=1561,1566,1564,1565, &end
#
#  chirality for residue 98 atoms:  N C HA CB
 &rst iat=1559,1568,1562,1563, &end
#
#  chirality for residue 99 atoms:  CA CG HB2 HB3
 &rst iat=1572,1577,1575,1576, &end
#
#  chirality for residue 99 atoms:  N C HA CB
 &rst iat=1570,1580,1573,1574, &end
#
#  chirality for residue 100 atoms:  CA CG2 CG1 HB
 &rst iat=1584,1588,1592,1587, &end
#
#  chirality for residue 100 atoms:  CB CD1 HG12 HG13
 &rst iat=1586,1595,1593,1594, &end
#
#  chirality for residue 100 atoms:  N C HA CB
 &rst iat=1582,1599,1585,1586, &end
#
#  chirality for residue 101 atoms:  CA CG HB2 HB3
 &rst iat=1603,1608,1606,1607, &end
#
#  chirality for residue 101 atoms:  CB CD HG2 HG3
 &rst iat=1605,1611,1609,1610, &end
#
#  chirality for residue 101 atoms:  N C HA CB
 &rst iat=1601,1614,1604,1605, &end
#
#  chirality for residue 102 atoms:  N C HA CB
 &rst iat=1616,1624,1619,1620, &end
#
#  chirality for residue 103 atoms:  CA CG2 CG1 HB
 &rst iat=1628,1632,1636,1631, &end
#
#  chirality for residue 103 atoms:  CB CD1 HG12 HG13
 &rst iat=1630,1639,1637,1638, &end
#
#  chirality for residue 103 atoms:  N C HA CB
 &rst iat=1626,1643,1629,1630, &end
#
#  chirality for residue 104 atoms:  CA CG HB2 HB3
 &rst iat=1647,1652,1650,1651, &end
#
#  chirality for residue 104 atoms:  N C HA CB
 &rst iat=1645,1655,1648,1649, &end
#
#  chirality for residue 105 atoms:  CA CG1 CG2 HB
 &rst iat=1659,1663,1667,1662, &end
#
#  chirality for residue 105 atoms:  N C HA CB
 &rst iat=1657,1671,1660,1661, &end
#
#  chirality for residue 106 atoms:  CA CG HB2 HB3
 &rst iat=1675,1680,1678,1679, &end
#
#  chirality for residue 106 atoms:  N C HA CB
 &rst iat=1673,1683,1676,1677, &end
#
#  chirality for residue 107 atoms:  CA CG HB2 HB3
 &rst iat=1687,1692,1690,1691, &end
#
#  chirality for residue 107 atoms:  N C HA CB
 &rst iat=1685,1695,1688,1689, &end
#
#  chirality for residue 108 atoms:  CA CG HB2 HB3
 &rst iat=1699,1704,1702,1703, &end
#
#  chirality for residue 108 atoms:  N C HA CB
 &rst iat=1697,1707,1700,1701, &end
#
#  chirality for residue 109 atoms:  CA CG2 OG1 HB
 &rst iat=1711,1715,1719,1714, &end
#
#  chirality for residue 109 atoms:  N C HA CB
 &rst iat=1709,1721,1712,1713, &end
#
#  chirality for residue 110 atoms:  CA CG HB2 HB3
 &rst iat=1725,1730,1728,1729, &end
#
#  chirality for residue 110 atoms:  CB CD HG2 HG3
 &rst iat=1727,1733,1731,1732, &end
#
#  chirality for residue 110 atoms:  N C HA CB
 &rst iat=1723,1738,1726,1727, &end
#
#  chirality for residue 111 atoms:  CA CG HB2 HB3
 &rst iat=1742,1747,1745,1746, &end
#
#  chirality for residue 111 atoms:  CB CD HG2 HG3
 &rst iat=1744,1750,1748,1749, &end
#
#  chirality for residue 111 atoms:  N C HA CB
 &rst iat=1740,1753,1743,1744, &end
#
#  chirality for residue 112 atoms:  N C HA CB
 &rst iat=1755,1763,1758,1759, &end
#
#  chirality for residue 113 atoms:  CA CG2 CG1 HB
 &rst iat=1767,1771,1775,1770, &end
#
#  chirality for residue 113 atoms:  CB CD1 HG12 HG13
 &rst iat=1769,1778,1776,1777, &end
#
#  chirality for residue 113 atoms:  N C HA CB
 &rst iat=1765,1782,1768,1769, &end
#
#  chirality for residue 114 atoms:  N C HA CB
 &rst iat=1784,1792,1787,1788, &end
#
#  chirality for residue 115 atoms:  CA CG HB2 HB3
 &rst iat=1796,1801,1799,1800, &end
#
#  chirality for residue 115 atoms:  N C HA CB
 &rst iat=1794,1804,1797,1798, &end
#
#  chirality for residue 116 atoms:  CA CG HB2 HB3
 &rst iat=1808,1813,1811,1812, &end
#
#  chirality for residue 116 atoms:  N C HA CB
 &rst iat=1806,1828,1809,1810, &end
#
#  chirality for residue 117 atoms:  CA CG HB2 HB3
 &rst iat=1832,1837,1835,1836, &end
#
#  chirality for residue 117 atoms:  CB CD1 CD2 HG
 &rst iat=1834,1839,1843,1838, &end
#
#  chirality for residue 117 atoms:  N C HA CB
 &rst iat=1830,1847,1833,1834, &end
#
#  chirality for residue 118 atoms:  CA CG HB2 HB3
 &rst iat=1851,1856,1854,1855, &end
#
#  chirality for residue 118 atoms:  N C HA CB
 &rst iat=1849,1868,1852,1853, &end
#
#  chirality for residue 119 atoms:  CA CG HB2 HB3
 &rst iat=1872,1877,1875,1876, &end
#
#  chirality for residue 119 atoms:  N C HA CB
 &rst iat=1870,1892,1873,1874, &end
#
#  chirality for residue 120 atoms:  CA CG HB2 HB3
 &rst iat=1896,1901,1899,1900, &end
#
#  chirality for residue 120 atoms:  CB CD1 CD2 HG
 &rst iat=1898,1903,1907,1902, &end
#
#  chirality for residue 120 atoms:  N C HA CB
 &rst iat=1894,1911,1897,1898, &end
#
#  chirality for residue 121 atoms:  N C HA CB
 &rst iat=1913,1921,1916,1917, &end
#
#  chirality for residue 122 atoms:  CA CG HB2 HB3
 &rst iat=1925,1930,1928,1929, &end
#
#  chirality for residue 122 atoms:  CB CD HG2 HG3
 &rst iat=1927,1933,1931,1932, &end
#
#  chirality for residue 122 atoms:  CG NE HD2 HD3
 &rst iat=1930,1936,1934,1935, &end
#
#  chirality for residue 122 atoms:  N C HA CB
 &rst iat=1923,1945,1926,1927, &end
#
#  chirality for residue 123 atoms:  N C HA2 HA3
 &rst iat=1947,1952,1950,1951, &end
#
#  chirality for residue 124 atoms:  CA CG HB2 HB3
 &rst iat=1956,1961,1959,1960, &end
#
#  chirality for residue 124 atoms:  N C HA CB
 &rst iat=1954,1973,1957,1958, &end
#
#  chirality for residue 125 atoms:  CA CG HB2 HB3
 &rst iat=1977,1982,1980,1981, &end
#
#  chirality for residue 125 atoms:  CB CD HG2 HG3
 &rst iat=1979,1985,1983,1984, &end
#
#  chirality for residue 125 atoms:  CD NZ HE2 HE3
 &rst iat=1985,1991,1989,1990, &end
#
#  chirality for residue 125 atoms:  CG CE HD2 HD3
 &rst iat=1982,1988,1986,1987, &end
#
#  chirality for residue 125 atoms:  N C HA CB
 &rst iat=1975,1995,1978,1979, &end
#
#  chirality for residue 126 atoms:  CA CG HB2 HB3
 &rst iat=1999,2004,2002,2003, &end
#
#  chirality for residue 126 atoms:  N C HA CB
 &rst iat=1997,2015,2000,2001, &end
#
#  trans-omega constraint for residue 2
 &rst iat=22,20,18,5, 
   r1=150., r2=170., r3=190., r4=210., rk2 = 150., rk3=150.,  &end
#
#  trans-omega constraint for residue 3
 &rst iat=32,30,28,22, &end
#
#  trans-omega constraint for residue 4
 &rst iat=43,41,39,32, &end
#
#  trans-omega constraint for residue 5
 &rst iat=59,57,55,43, &end
#
#  trans-omega constraint for residue 6
 &rst iat=74,72,70,59, &end
#
#  trans-omega constraint for residue 7
 &rst iat=98,96,94,74, &end
#
#  trans-omega constraint for residue 8
 &rst iat=110,108,106,98, &end
#
#  trans-omega constraint for residue 9
 &rst iat=125,123,121,110, &end
#
#  trans-omega constraint for residue 10
 &rst iat=139,137,135,125, &end
#
#  trans-omega constraint for residue 11
 &rst iat=163,161,159,139, &end
#
#  trans-omega constraint for residue 12
 &rst iat=178,176,174,163, &end
#
#  trans-omega constraint for residue 13
 &rst iat=195,193,191,178, &end
#
#  trans-omega constraint for residue 14
 &rst iat=219,217,215,195, &end
#
#  trans-omega constraint for residue 15
 &rst iat=238,236,234,219, &end
#
#  trans-omega constraint for residue 16
 &rst iat=253,251,249,238, &end
#
#  trans-omega constraint for residue 17
 &rst iat=267,265,263,253, &end
#
#  trans-omega constraint for residue 18
 &rst iat=282,280,278,267, &end
#
#  trans-omega constraint for residue 19
 &rst iat=301,299,297,282, &end
#
#  trans-omega constraint for residue 20
 &rst iat=320,318,316,301, &end
#
#  trans-omega constraint for residue 21
 &rst iat=336,334,332,320, &end
#
#  trans-omega constraint for residue 22
 &rst iat=348,346,344,336, &end
#
#  trans-omega constraint for residue 23
 &rst iat=358,356,354,348, &end
#
#  trans-omega constraint for residue 24
 &rst iat=373,371,369,358, &end
#
#  trans-omega constraint for residue 25
 &rst iat=385,383,381,373, &end
#
#  trans-omega constraint for residue 26
 &rst iat=407,405,403,385, &end
#
#  trans-omega constraint for residue 27
 &rst iat=422,420,418,407, &end
#
#  trans-omega constraint for residue 28
 &rst iat=437,435,433,422, &end
#
#  trans-omega constraint for residue 29
 &rst iat=461,459,457,437, &end
#
#  trans-omega constraint for residue 30
 &rst iat=471,469,467,461, &end
#
#  trans-omega constraint for residue 31
 &rst iat=488,486,484,471, &end
#
#  trans-omega constraint for residue 32
 &rst iat=495,493,491,488, &end
#
#  trans-omega constraint for residue 33
 &rst iat=519,517,515,495, &end
#
#  trans-omega constraint for residue 34
 &rst iat=540,538,536,519, &end
#
#  trans-omega constraint for residue 35
 &rst iat=561,559,557,540, &end
#
#  trans-omega constraint for residue 36
 &rst iat=582,580,578,561, &end
#
#  trans-omega constraint for residue 37
 &rst iat=601,599,597,582, &end
#
#  trans-omega constraint for residue 38
 &rst iat=613,611,609,601, &end
#
#  trans-omega constraint for residue 39
 &rst iat=625,623,621,613, &end
#
#  trans-omega constraint for residue 40
 &rst iat=639,637,635,625, &end
#
#  trans-omega constraint for residue 41
 &rst iat=658,656,654,639, &end
#
#  trans-omega constraint for residue 42
 &rst iat=673,671,669,658, &end
#
#  cis-omega constraint for residue 43
 &rst iat=701,691,689,673,
   r1=-30., r2=-10., r3=10., r4=30., rk2 = 150., rk3=150.,  &end
#
#  trans-omega constraint for residue 44
 &rst iat=707,705,703,701,
   r1=150., r2=170., r3=190., r4=210., rk2 = 150., rk3=150.,  &end
#
#  trans-omega constraint for residue 45
 &rst iat=727,725,723,707, &end
#
#  trans-omega constraint for residue 46
 &rst iat=744,742,740,727, &end
#
#  trans-omega constraint for residue 47
 &rst iat=751,749,747,744, &end
#
#  trans-omega constraint for residue 48
 &rst iat=773,771,769,751, &end
#
#  trans-omega constraint for residue 49
 &rst iat=797,795,793,773, &end
#
#  trans-omega constraint for residue 50
 &rst iat=819,817,815,797, &end
#
#  trans-omega constraint for residue 51
 &rst iat=841,839,837,819, &end
#
#  trans-omega constraint for residue 52
 &rst iat=863,861,859,841, &end
#
#  trans-omega constraint for residue 53
 &rst iat=874,872,870,863, &end
#
#  trans-omega constraint for residue 54
 &rst iat=898,896,894,874, &end
#
#  trans-omega constraint for residue 55
 &rst iat=920,918,916,898, &end
#
#  trans-omega constraint for residue 56
 &rst iat=934,932,930,920, &end
#
#  trans-omega constraint for residue 57
 &rst iat=945,943,941,934, &end
#
#  trans-omega constraint for residue 58
 &rst iat=959,957,955,945, &end
#
#  trans-omega constraint for residue 59
 &rst iat=978,976,974,959, &end
#
#  trans-omega constraint for residue 60
 &rst iat=993,991,989,978, &end
#
#  trans-omega constraint for residue 61
 &rst iat=1008,1006,1004,993, &end
#
#  trans-omega constraint for residue 62
 &rst iat=1030,1028,1026,1008, &end
#
#  trans-omega constraint for residue 63
 &rst iat=1044,1042,1040,1030, &end
#
#  trans-omega constraint for residue 64
 &rst iat=1060,1058,1056,1044, &end
#
#  trans-omega constraint for residue 65
 &rst iat=1075,1073,1071,1060, &end
#
#  trans-omega constraint for residue 66
 &rst iat=1091,1089,1087,1075, &end
#
#  trans-omega constraint for residue 67
 &rst iat=1110,1108,1106,1091, &end
#
#  trans-omega constraint for residue 68
 &rst iat=1117,1115,1113,1110, &end
#
#  trans-omega constraint for residue 69
 &rst iat=1134,1132,1130,1117, &end
#
#  trans-omega constraint for residue 70
 &rst iat=1152,1142,1140,1134, &end
#
#  trans-omega constraint for residue 71
 &rst iat=1158,1156,1154,1152, &end
#
#  trans-omega constraint for residue 72
 &rst iat=1170,1168,1166,1158, &end
#
#  trans-omega constraint for residue 73
 &rst iat=1182,1180,1178,1170, &end
#
#  trans-omega constraint for residue 74
 &rst iat=1197,1195,1193,1182, &end
#
#  trans-omega constraint for residue 75
 &rst iat=1208,1206,1204,1197, &end
#
#  trans-omega constraint for residue 76
 &rst iat=1227,1225,1223,1208, &end
#
#  trans-omega constraint for residue 77
 &rst iat=1249,1247,1245,1227, &end
#
#  trans-omega constraint for residue 78
 &rst iat=1261,1259,1257,1249, &end
#
#  trans-omega constraint for residue 79
 &rst iat=1278,1276,1274,1261, &end
#
#  trans-omega constraint for residue 80
 &rst iat=1299,1297,1295,1278, &end
#
#  trans-omega constraint for residue 81
 &rst iat=1315,1313,1311,1299, &end
#
#  trans-omega constraint for residue 82
 &rst iat=1330,1328,1326,1315, &end
#
#  trans-omega constraint for residue 83
 &rst iat=1346,1344,1342,1330, &end
#
#  trans-omega constraint for residue 84
 &rst iat=1356,1354,1352,1346, &end
#
#  trans-omega constraint for residue 85
 &rst iat=1368,1366,1364,1356, &end
#
#  trans-omega constraint for residue 86
 &rst iat=1387,1385,1383,1368, &end
#
#  trans-omega constraint for residue 87
 &rst iat=1394,1392,1390,1387, &end
#
#  trans-omega constraint for residue 88
 &rst iat=1401,1399,1397,1394, &end
#
#  trans-omega constraint for residue 89
 &rst iat=1423,1421,1419,1401, &end
#
#  trans-omega constraint for residue 90
 &rst iat=1435,1433,1431,1423, &end
#
#  trans-omega constraint for residue 91
 &rst iat=1447,1445,1443,1435, &end
#
#  trans-omega constraint for residue 92
 &rst iat=1459,1457,1455,1447, &end
#
#  trans-omega constraint for residue 93
 &rst iat=1475,1473,1471,1459, &end
#
#  trans-omega constraint for residue 94
 &rst iat=1496,1494,1492,1475, &end
#
#  trans-omega constraint for residue 95
 &rst iat=1510,1508,1506,1496, &end
#
#  trans-omega constraint for residue 96
 &rst iat=1520,1518,1516,1510, &end
#
#  trans-omega constraint for residue 97
 &rst iat=1542,1540,1538,1520, &end
#
#  trans-omega constraint for residue 98
 &rst iat=1561,1559,1557,1542, &end
#
#  trans-omega constraint for residue 99
 &rst iat=1572,1570,1568,1561, &end
#
#  trans-omega constraint for residue 100
 &rst iat=1584,1582,1580,1572, &end
#
#  trans-omega constraint for residue 101
 &rst iat=1603,1601,1599,1584, &end
#
#  trans-omega constraint for residue 102
 &rst iat=1618,1616,1614,1603, &end
#
#  trans-omega constraint for residue 103
 &rst iat=1628,1626,1624,1618, &end
#
#  trans-omega constraint for residue 104
 &rst iat=1647,1645,1643,1628, &end
#
#  trans-omega constraint for residue 105
 &rst iat=1659,1657,1655,1647, &end
#
#  trans-omega constraint for residue 106
 &rst iat=1675,1673,1671,1659, &end
#
#  trans-omega constraint for residue 107
 &rst iat=1687,1685,1683,1675, &end
#
#  trans-omega constraint for residue 108
 &rst iat=1699,1697,1695,1687, &end
#
#  trans-omega constraint for residue 109
 &rst iat=1711,1709,1707,1699, &end
#
#  trans-omega constraint for residue 110
 &rst iat=1725,1723,1721,1711, &end
#
#  trans-omega constraint for residue 111
 &rst iat=1742,1740,1738,1725, &end
#
#  trans-omega constraint for residue 112
 &rst iat=1757,1755,1753,1742, &end
#
#  trans-omega constraint for residue 113
 &rst iat=1767,1765,1763,1757, &end
#
#  trans-omega constraint for residue 114
 &rst iat=1786,1784,1782,1767, &end
#
#  trans-omega constraint for residue 115
 &rst iat=1796,1794,1792,1786, &end
#
#  trans-omega constraint for residue 116
 &rst iat=1808,1806,1804,1796, &end
#
#  trans-omega constraint for residue 117
 &rst iat=1832,1830,1828,1808, &end
#
#  trans-omega constraint for residue 118
 &rst iat=1851,1849,1847,1832, &end
#
#  trans-omega constraint for residue 119
 &rst iat=1872,1870,1868,1851, &end
#
#  trans-omega constraint for residue 120
 &rst iat=1896,1894,1892,1872, &end
#
#  trans-omega constraint for residue 121
 &rst iat=1915,1913,1911,1896, &end
#
#  trans-omega constraint for residue 122
 &rst iat=1925,1923,1921,1915, &end
#
#  trans-omega constraint for residue 123
 &rst iat=1949,1947,1945,1925, &end
#
#  trans-omega constraint for residue 124
 &rst iat=1956,1954,1952,1949, &end
#
#  trans-omega constraint for residue 125
 &rst iat=1977,1975,1973,1956, &end
#
#  trans-omega constraint for residue 126
 &rst iat=1999,1997,1995,1977, &end
#
#   44 PHE  HN           43 PRO  HA          2.80    (#      0:20        Unique  2.24, 2.28 A)
 &rst
  ixpk= 0, nxpk= 20, iat= 706, 702, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
#   76 LYS  HN           74 CYS  HA          4.00    (#      1:20        Unique  3.07, 3.24 A)
 &rst
  ixpk= 1, nxpk= 20, iat=1226,1198, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   77 ASP  HN           74 CYS  HA          4.00    (#      2:20        Unique  2.98, 3.66 A)
 &rst
  ixpk= 2, nxpk= 20, iat=1248,1198, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   75 LEU  HN           74 CYS  HA          3.20    (#      3:20        Unique  2.27, 2.44 A)
 &rst
  ixpk= 3, nxpk= 20, iat=1207,1198, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#   84 ASP  HA           63 VAL  HA          3.00    (#      5:20        Unique  2.51, 2.86 A)
 &rst
  ixpk= 5, nxpk= 20, iat=1357,1045, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  100 ILE  HN          100 ILE  HA          3.50    (#      6:20        Unique  2.91, 2.92 A)
 &rst
  ixpk= 6, nxpk= 20, iat=1583,1585, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  101 GLU  HN          100 ILE  HA          2.80    (#      7:20        Unique  2.35, 2.37 A)
 &rst
  ixpk= 7, nxpk= 20, iat=1602,1585, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   48 TRP  HA          100 ILE  HA          2.80    (#      8:20        Unique  1.83, 1.87 A)
 &rst
  ixpk= 8, nxpk= 20, iat= 774,1585, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   83 ALA  HN           82 VAL  HA          3.00    (#      9:20        Unique  2.26, 2.42 A)
 &rst
  ixpk= 9, nxpk= 20, iat=1345,1331, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   66 LEU  HN           82 VAL  HA          3.80    (#     10:20        Unique  2.34, 3.09 A)
 &rst
  ixpk= 10, nxpk= 20, iat=1090,1331, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#   79 TYR  HN           79 TYR  HA          3.80    (#     11:20        Unique  2.91, 2.92 A)
 &rst
  ixpk= 11, nxpk= 20, iat=1277,1279, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#   80 VAL  HN           79 TYR  HA          3.00    (#     12:20        Unique  2.28, 2.46 A)
 &rst
  ixpk= 12, nxpk= 20, iat=1298,1279, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   97 LEU  HN           79 TYR  HA          4.00    (#     13:20        Unique  3.04, 3.72 A)
 &rst
  ixpk= 13, nxpk= 20, iat=1541,1279, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   79 TYR  HD           79 TYR  HA          4.00    (#     14:20        Unique  3.14, 3.70 A)
 &rst
  ixpk= 14, nxpk= 20, iat=  -1,1279, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1285,1294,
 &end
#
#   45 MET  HN           44 PHE  HA          2.80    (#     16:20        Unique  2.15, 2.18 A)
 &rst
  ixpk= 16, nxpk= 20, iat= 726, 708, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   44 PHE  HN           44 PHE  HA          3.00    (#     17:20        Unique  2.86, 2.87 A)
 &rst
  ixpk= 17, nxpk= 20, iat= 706, 708, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   44 PHE  HD           44 PHE  HA          4.00    (#     18:20        Unique  3.82, 4.15 A)
 &rst
  ixpk= 18, nxpk= 20, iat=  -1, 708, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 714, 722,
 &end
#
#    0 AMB  20-2:19      99 ASP  HA          3.00    (#     19:20        Single  0.00, 0.00  )
 &rst
  ixpk= 19, nxpk= 20, iat=  -1,1573, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1583,1571,
 &end
#
#    0 AMB  20-2:20       0 AMB  20-1:20     4.00    (#     20:20        Double  0.00, 0.00  )
 &rst
  ixpk= 20, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1007, 796,
 igr2= 752,1573,
 &end
#
#   47 LYS  HN           47 LYS  HA          3.00    (#     21:20        Unique  2.84, 2.91 A)
 &rst
  ixpk= 21, nxpk= 20, iat= 750, 752, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   48 TRP  HN           47 LYS  HA          2.80    (#     22:20        Unique  2.16, 2.17 A)
 &rst
  ixpk= 22, nxpk= 20, iat= 772, 752, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   63 VAL  HN           47 LYS  HA          4.00    (#     23:20        Unique  3.43, 3.72 A)
 &rst
  ixpk= 23, nxpk= 20, iat=1043, 752, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   49 LYS  HN           48 TRP  HA          2.80    (#     25:20        Unique  2.20, 2.21 A)
 &rst
  ixpk= 25, nxpk= 20, iat= 796, 774, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   48 TRP  HD1          48 TRP  HA          3.00    (#     26:20        Unique  2.56, 2.74 A)
 &rst
  ixpk= 26, nxpk= 20, iat= 780, 774, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   65 VAL  HN           45 MET  HA          3.00    (#     28:20        Unique  2.38, 2.58 A)
 &rst
  ixpk= 28, nxpk= 20, iat=1074, 728, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   45 MET  HN           45 MET  HA          3.50    (#     29:20        Unique  2.87, 2.88 A)
 &rst
  ixpk= 29, nxpk= 20, iat= 726, 728, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   46 GLY  HN           45 MET  HA          2.80    (#     30:20        Unique  2.18, 2.24 A)
 &rst
  ixpk= 30, nxpk= 20, iat= 743, 728, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   48 TRP  HN           48 TRP  HA          3.80    (#     31:20        Unique  2.84, 2.85 A)
 &rst
  ixpk= 31, nxpk= 20, iat= 772, 774, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  100 ILE  HA           48 TRP  HA          2.80    (#     32:20        Unique  1.83, 1.87 A)
 &rst
  ixpk= 32, nxpk= 20, iat=1585, 774, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   47 LYS  HN           46 GLY  HA-         3.00    (#     33:20        Unique  2.15, 2.59 A)
 &rst
  ixpk= 33, nxpk= 20, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 745, 746,
 &end
#
#  103 ILE  HN           46 GLY  HA-         3.50    (#     34:20        Unique  1.97, 2.89 A)
 &rst
  ixpk= 34, nxpk= 20, iat=1627,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 745, 746,
 &end
#
#   42 PHE  HB-          43 PRO  HA          4.00    (#     35:20        Unique  2.60, 3.40 A)
 &rst
  ixpk= 35, nxpk= 20, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 676, 677,
 &end
#
#   42 PHE  HB+          43 PRO  HA          4.00    (#     36:20        Unique  2.60, 3.40 A)
 &rst
  ixpk= 36, nxpk= 20, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 676, 677,
 &end
#
#   43 PRO  HB+          43 PRO  HA          3.00    (#     37:20        Unique  2.30, 2.51 A)
 &rst
  ixpk= 37, nxpk= 20, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 699, 700,
 &end
#
#   43 PRO  HB-          43 PRO  HA          3.00    (#     38:20        Unique  2.30, 2.51 A)
 &rst
  ixpk= 38, nxpk= 20, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 699, 700,
 &end
#
#    0 AMB  20-2:39      43 PRO  HA          4.00    (#     39:20        Single  0.00, 0.00  )
 &rst
  ixpk= 39, nxpk= 20, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 696, 697, 696, 697,1066,1067,
 &end
#
#   94 THR  MG2          94 THR  HA          3.00    (#     40:20        Unique  2.02, 2.85 A)
 &rst
  ixpk= 40, nxpk= 20, iat=  -1,1497, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1501,1502,1503,
 &end
#
#   95 ALA  MB           94 THR  HA          6.00    (#     41:20        Unique  4.39, 5.02 A)
 &rst
  ixpk= 41, nxpk= 20, iat=  -1,1497, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1513,1514,1515,
 &end
#
#   94 THR  HB           94 THR  HA          3.50    (#     42:20        Unique  2.92, 2.96 A)
 &rst
  ixpk= 42, nxpk= 20, iat=1499,1497, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   74 CYS  HB+          74 CYS  HA          3.00    (#     43:20        Unique  2.38, 2.57 A)
 &rst
  ixpk= 43, nxpk= 20, iat=  -1,1198, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1200,1201,
 &end
#
#    0 AMB  20-2:44      74 CYS  HA          4.00    (#     44:20        Single  0.00, 0.00  )
 &rst
  ixpk= 44, nxpk= 20, iat=  -1,1198, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1=1271,1272,1273,1188,1189,1185,1186,
 &end
#
#   74 CYS  HB-          74 CYS  HA          3.00    (#     45:20        Unique  2.38, 2.57 A)
 &rst
  ixpk= 45, nxpk= 20, iat=  -1,1198, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1200,1201,
 &end
#
#   63 VAL  HB           63 VAL  HA          3.00    (#     46:20        Unique  2.35, 2.51 A)
 &rst
  ixpk= 46, nxpk= 20, iat=1047,1045, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  100 ILE  HG1-        100 ILE  HA          3.00    (#     47:20        Unique  1.95, 2.62 A)
 &rst
  ixpk= 47, nxpk= 20, iat=  -1,1585, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1593,1594,
 &end
#
#  100 ILE  HB          100 ILE  HA          3.50    (#     48:20        Unique  2.59, 2.73 A)
 &rst
  ixpk= 48, nxpk= 20, iat=1587,1585, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  100 ILE  QG2         100 ILE  HA          3.00    (#     49:20        Unique  3.35, 3.78 A)
 &rst
  ixpk= 49, nxpk= 20, iat=  -1,1585, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1589,1590,1591,
 &end
#
#  100 ILE  QD1         100 ILE  HA          3.00    (#     50:20        Unique  2.34, 3.97 A)
 &rst
  ixpk= 50, nxpk= 20, iat=  -1,1585, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1596,1597,1598,
 &end
#
#   82 VAL  MGX          82 VAL  HA          4.00    (#     52:20        Unique  2.16, 3.41 A)
 &rst
  ixpk= 52, nxpk= 20, iat=  -1,1331, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1335,1336,1337,1339,1340,1341,
 &end
#
#   65 VAL  HA           82 VAL  HA          3.00    (#     53:20        Unique  2.01, 2.51 A)
 &rst
  ixpk= 53, nxpk= 20, iat=1076,1331, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:54      82 VAL  HA          4.00    (#     54:20        Single  0.00, 0.00  )
 &rst
  ixpk= 54, nxpk= 20, iat=  -1,1331, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1047,1066,1067,1302,
 &end
#
#   82 VAL  MGY          82 VAL  HA          3.00    (#     55:20        Unique  2.16, 3.41 A)
 &rst
  ixpk= 55, nxpk= 20, iat=  -1,1331, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1335,1336,1337,1339,1340,1341,
 &end
#
#   82 VAL  HB           82 VAL  HA          3.00    (#     56:20        Unique  2.36, 2.57 A)
 &rst
  ixpk= 56, nxpk= 20, iat=1333,1331, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   83 ALA  MB           82 VAL  HA          4.00    (#     57:20        Unique  4.20, 4.84 A)
 &rst
  ixpk= 57, nxpk= 20, iat=  -1,1331, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1349,1350,1351,
 &end
#
#   66 LEU  MDY          82 VAL  HA          3.00    (#     58:20        Unique  2.10, 4.26 A)
 &rst
  ixpk= 58, nxpk= 20, iat=  -1,1331, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1099,1100,1101,1103,1104,1105,
 &end
#
#   96 LYS  HA           79 TYR  HA          5.00    (#     59:20        Unique  6.07, 6.38 A)
 &rst
  ixpk= 59, nxpk= 20, iat=1521,1279, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:60      79 TYR  HA          4.00    (#     60:20        Single  0.00, 0.00  )
 &rst
  ixpk= 60, nxpk= 20, iat=  -1,1279, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1=1501,1502,1503,1526,1527,
 &end
#
#    0 AMB  20-2:61      79 TYR  HA          3.00    (#     61:20        Single  0.00, 0.00  )
 &rst
  ixpk= 61, nxpk= 20, iat=  -1,1279, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1281,1282,1281,1282,
 &end
#
#   80 VAL  MGX          79 TYR  HA          3.00    (#     62:20        Unique  3.08, 4.69 A)
 &rst
  ixpk= 62, nxpk= 20, iat=  -1,1279, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1304,1305,1306,1308,1309,1310,
 &end
#
#    0 AMB  20-2:63      44 PHE  HA          4.50    (#     63:20        Single  0.00, 0.00  )
 &rst
  ixpk= 63, nxpk= 20, iat=  -1, 708, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 664, 665, 730, 731,
 &end
#
#    0 AMB  20-2:64      44 PHE  HA          3.00    (#     64:20        Single  0.00, 0.00  )
 &rst
  ixpk= 64, nxpk= 20, iat=  -1, 708, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 710, 711, 710, 711,
 &end
#
#    0 AMB  20-2:65      44 PHE  HA          5.00    (#     65:20        Single  0.00, 0.00  )
 &rst
  ixpk= 65, nxpk= 20, iat=  -1, 708, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 730, 731, 696, 697,
 &end
#
#  105 VAL  MGY          44 PHE  HA          4.00    (#     66:20        Unique  4.30, 6.62 A)
 &rst
  ixpk= 66, nxpk= 20, iat=  -1, 708, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1664,1665,1666,1668,1669,1670,
 &end
#
#   99 ASP  HB+          99 ASP  HA          3.00    (#     67:20        Unique  2.62, 2.82 A)
 &rst
  ixpk= 67, nxpk= 20, iat=  -1,1573, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1575,1576,
 &end
#
#   99 ASP  HB-          99 ASP  HA          3.00    (#     68:20        Unique  2.62, 2.82 A)
 &rst
  ixpk= 68, nxpk= 20, iat=  -1,1573, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1575,1576,
 &end
#
#    0 AMB  20-2:69      47 LYS  HA          3.00    (#     69:20        Single  0.00, 0.00  )
 &rst
  ixpk= 69, nxpk= 20, iat=  -1, 752, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 757, 758,1593,1594,
 &end
#
#   47 LYS  HB-          47 LYS  HA          3.00    (#     70:20        Unique  2.73, 2.85 A)
 &rst
  ixpk= 70, nxpk= 20, iat=  -1, 752, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 754, 755,
 &end
#
#    0 AMB  20-2:71      47 LYS  HA          4.00    (#     71:20        Single  0.00, 0.00  )
 &rst
  ixpk= 71, nxpk= 20, iat=  -1, 752, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 745, 746, 776, 777,
 &end
#
#    0 AMB  20-2:72       0 AMB  20-1:72     5.00    (#     72:20        Double  0.00, 0.00  )
 &rst
  ixpk= 72, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1=1035,1036,1037, 803, 804,
 igr2= 752,1573,
 &end
#
#   63 VAL  MGX          47 LYS  HA          5.00    (#     73:20        Unique  3.96, 5.77 A)
 &rst
  ixpk= 73, nxpk= 20, iat=  -1, 752, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1049,1050,1051,1053,1054,1055,
 &end
#
#  100 ILE  QD1          48 TRP  HA          3.00    (#     74:20        Unique  1.89, 3.83 A)
 &rst
  ixpk= 74, nxpk= 20, iat=  -1, 774, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1596,1597,1598,
 &end
#
#   48 TRP  HB-          48 TRP  HA          3.00    (#     75:20        Unique  2.51, 2.78 A)
 &rst
  ixpk= 75, nxpk= 20, iat=  -1, 774, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 776, 777,
 &end
#
#   45 MET  HB-          45 MET  HA          3.00    (#     76:20        Unique  2.23, 2.49 A)
 &rst
  ixpk= 76, nxpk= 20, iat=  -1, 728, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 730, 731,
 &end
#
#    0 AMB  20-2:77      45 MET  HA          3.00    (#     77:20        Single  0.00, 0.00  )
 &rst
  ixpk= 77, nxpk= 20, iat=  -1, 728, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1= 730, 731, 737, 738, 739,
 &end
#
#    0 AMB  20-2:78      45 MET  HA          5.00    (#     78:20        Single  0.00, 0.00  )
 &rst
  ixpk= 78, nxpk= 20, iat=  -1, 728, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1078,1640,1641,1642,
 &end
#
#   45 MET  HG-          45 MET  HA          3.00    (#     79:20        Unique  3.26, 3.77 A)
 &rst
  ixpk= 79, nxpk= 20, iat=  -1, 728, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 733, 734,
 &end
#
#    0 AMB  20-2:80      45 MET  HA          4.00    (#     80:20        Single  0.00, 0.00  )
 &rst
  ixpk= 80, nxpk= 20, iat=  -1, 728, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1080,1081,1082,1084,1085,1086,1335,1336,1337,1339,
      1340,1341,
 &end
#
#   48 TRP  HB+          48 TRP  HA          3.50    (#     81:20        Unique  2.51, 2.78 A)
 &rst
  ixpk= 81, nxpk= 20, iat=  -1, 774, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 776, 777,
 &end
#
#   84 ASP  HB+          83 ALA  HA          5.00    (#     82:20        Unique  4.35, 4.97 A)
 &rst
  ixpk= 82, nxpk= 20, iat=  -1,1347, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1359,1360,
 &end
#
#    0 AMB  20-2:83      83 ALA  HA          5.00    (#     83:20        Single  0.00, 0.00  )
 &rst
  ixpk= 83, nxpk= 20, iat=  -1,1347, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1359,1360,1450,1451,
 &end
#
#   83 ALA  MB           83 ALA  HA          3.00    (#     84:20        Unique  2.29, 2.63 A)
 &rst
  ixpk= 84, nxpk= 20, iat=  -1,1347, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1349,1350,1351,
 &end
#
#    0 AMB  20-2:85      83 ALA  HA          3.00    (#     85:20        Single  0.00, 0.00  )
 &rst
  ixpk= 85, nxpk= 20, iat=  -1,1347, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1464,1465,1466,1468,1469,1470,1464,1465,1466,1468,
      1469,1470,
 &end
#
#    0 AMB  20-2:87      46 GLY  HA-         4.00    (#     87:20        Single  0.00, 0.00  )
 &rst
  ixpk= 87, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=1080,1081,1082,1084,1085,1086,1335,1336,1337,1339,
      1340,1341,
 igr2= 745, 746,
 &end
#
#   45 MET  ME           46 GLY  HA-         4.50    (#     88:20        Unique  2.34, 3.92 A)
 &rst
  ixpk= 88, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 737, 738, 739,
 igr2= 745, 746,
 &end
#
#  100 ILE  QG2          46 GLY  HA-         3.00    (#     89:20        Unique  2.36, 4.37 A)
 &rst
  ixpk= 89, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1589,1590,1591,
 igr2= 745, 746,
 &end
#
#    0 AMB  20-2:91      57 THR  HB          4.50    (#     91:20        Single  0.00, 0.00  )
 &rst
  ixpk= 91, nxpk= 20, iat=  -1, 948, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 950, 951, 952, 925, 926, 927,
 &end
#
#   55 THR  MG2          55 THR  HB          4.50    (#     92:20        Unique  2.24, 2.64 A)
 &rst
  ixpk= 92, nxpk= 20, iat=  -1, 923, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 925, 926, 927,
 &end
#
#   94 THR  MG2          94 THR  HB          3.00    (#     93:20        Unique  2.23, 2.64 A)
 &rst
  ixpk= 93, nxpk= 20, iat=  -1,1499, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1501,1502,1503,
 &end
#
#   39 THR  MG2          39 THR  HB          3.00    (#     94:20        Unique  2.26, 2.64 A)
 &rst
  ixpk= 94, nxpk= 20, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 630, 631, 632,
 &end
#
#    0 AMB  20-2:95      62 THR  HB          3.00    (#     95:20        Single  0.00, 0.00  )
 &rst
  ixpk= 95, nxpk= 20, iat=  -1,1033, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1=1377,1378,1035,1036,1037,
 &end
#
#   85 ILE  QD1          62 THR  HB          4.00    (#     96:20        Unique  3.19, 4.26 A)
 &rst
  ixpk= 96, nxpk= 20, iat=  -1,1033, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1380,1381,1382,
 &end
#
#    9 THR  MG2           9 THR  HB          3.00    (#     97:20        Unique  2.24, 2.64 A)
 &rst
  ixpk= 97, nxpk= 20, iat=  -1, 128, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 130, 131, 132,
 &end
#
#    9 THR  HA            9 THR  HB          3.00    (#     98:20        Unique  2.57, 2.63 A)
 &rst
  ixpk= 98, nxpk= 20, iat= 126, 128, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  112 ALA  MB          109 THR  HA          4.00    (#     99:20        Unique  2.69, 3.81 A)
 &rst
  ixpk= 99, nxpk= 20, iat=  -1,1712, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1760,1761,1762,
 &end
#
#   40 LEU  MDY         109 THR  HA          3.00    (#    100:20        Unique  1.91, 4.31 A)
 &rst
  ixpk= 100, nxpk= 20, iat=  -1,1712, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 647, 648, 649, 651, 652, 653,
 &end
#
#  109 THR  MG2         109 THR  HA          3.00    (#    101:20        Unique  2.47, 3.20 A)
 &rst
  ixpk= 101, nxpk= 20, iat=  -1,1712, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1716,1717,1718,
 &end
#
#  113 ILE  HG1+        113 ILE  HA          3.00    (#    102:20        Unique  2.16, 2.73 A)
 &rst
  ixpk= 102, nxpk= 20, iat=  -1,1768, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1776,1777,
 &end
#
#  113 ILE  HB          113 ILE  HA          3.00    (#    103:20        Unique  3.01, 3.01 A)
 &rst
  ixpk= 103, nxpk= 20, iat=1770,1768, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  113 ILE  QG2         113 ILE  HA          3.00    (#    104:20        Unique  2.38, 3.18 A)
 &rst
  ixpk= 104, nxpk= 20, iat=  -1,1768, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1772,1773,1774,
 &end
#
#  113 ILE  HG1-        113 ILE  HA          3.00    (#    105:20        Unique  2.16, 2.73 A)
 &rst
  ixpk= 105, nxpk= 20, iat=  -1,1768, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1776,1777,
 &end
#
#    9 THR  HB            9 THR  HA          3.00    (#    106:20        Unique  2.57, 2.63 A)
 &rst
  ixpk= 106, nxpk= 20, iat= 128, 126, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   12 HIS  HB+           9 THR  HA          4.00    (#    107:20        Unique  4.30, 5.31 A)
 &rst
  ixpk= 107, nxpk= 20, iat=  -1, 126, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 181, 182,
 &end
#
#   13 ARG  HG+           9 THR  HA          4.30    (#    108:20        Unique  1.92, 2.61 A)
 &rst
  ixpk= 108, nxpk= 20, iat=  -1, 126, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 201, 202,
 &end
#
#    0 AMB  20-2:109     14 ILE  HA          5.00    (#    109:20        Single  0.00, 0.00  )
 &rst
  ixpk= 109, nxpk= 20, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 224, 225, 226, 285,
 &end
#
#   18 ILE  QD1          14 ILE  HA          3.00    (#    110:20        Unique  2.63, 3.83 A)
 &rst
  ixpk= 110, nxpk= 20, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 294, 295, 296,
 &end
#
#   39 THR  MG2          39 THR  HA          3.00    (#    111:20        Unique  2.44, 3.23 A)
 &rst
  ixpk= 111, nxpk= 20, iat=  -1, 626, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 630, 631, 632,
 &end
#
#   18 ILE  HG1+         18 ILE  HA          5.00    (#    112:20        Unique  2.37, 2.75 A)
 &rst
  ixpk= 112, nxpk= 20, iat=  -1, 283, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 291, 292,
 &end
#
#   18 ILE  HB           18 ILE  HA          5.00    (#    113:20        Unique  3.00, 3.01 A)
 &rst
  ixpk= 113, nxpk= 20, iat= 285, 283, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   18 ILE  QG2          18 ILE  HA          5.00    (#    114:20        Unique  2.36, 3.20 A)
 &rst
  ixpk= 114, nxpk= 20, iat=  -1, 283, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 287, 288, 289,
 &end
#
#   70 PRO  HB+          70 PRO  HA          3.00    (#    115:20        Unique  2.30, 2.51 A)
 &rst
  ixpk= 115, nxpk= 20, iat=  -1,1153, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1150,1151,
 &end
#
#    0 AMB  20-2:116     70 PRO  HA          4.00    (#    116:20        Single  0.00, 0.00  )
 &rst
  ixpk= 116, nxpk= 20, iat=  -1,1153, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1147,1148,1185,1186,
 &end
#
#   56 SER  HA           52 SER  HB+         5.50    (#    117:20        Unique  3.12, 4.62 A)
 &rst
  ixpk= 117, nxpk= 20, iat= 935,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 866, 867,
 &end
#
#    0 AMB  20-2:118      0 AMB  20-1:118    6.50    (#    118:20        Double  0.00, 0.00  )
 &rst
  ixpk= 118, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.04, r4=11.54,
 igr1= 925, 926, 927, 950, 951, 952,
 igr2= 866, 867, 866, 867,
 &end
#
#   52 SER  HA           52 SER  HB+         4.50    (#    119:20        Unique  2.34, 2.76 A)
 &rst
  ixpk= 119, nxpk= 20, iat= 864,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 866, 867,
 &end
#
#    3 SER  HA            3 SER  HB+         3.00    (#    120:20        Unique  2.32, 2.62 A)
 &rst
  ixpk= 120, nxpk= 20, iat=  33,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=  35,  36,
 &end
#
#   70 PRO  HB-          70 PRO  HA          3.00    (#    121:20        Unique  2.30, 2.51 A)
 &rst
  ixpk= 121, nxpk= 20, iat=  -1,1153, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1150,1151,
 &end
#
#   70 PRO  HG+          70 PRO  HA          4.00    (#    122:20        Unique  3.85, 3.94 A)
 &rst
  ixpk= 122, nxpk= 20, iat=  -1,1153, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1147,1148,
 &end
#
#    0 AMB  20-2:123     16 THR  HA          3.00    (#    123:20        Single  0.00, 0.00  )
 &rst
  ixpk= 123, nxpk= 20, iat=  -1, 254, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 325, 326, 327, 329, 330, 331, 325, 326, 327, 329,
       330, 331,
 &end
#
#   20 VAL  HB           16 THR  HA          4.00    (#    124:20        Unique  3.88, 4.71 A)
 &rst
  ixpk= 124, nxpk= 20, iat= 323, 254, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   16 THR  MG2          16 THR  HA          3.00    (#    125:20        Unique  2.53, 3.25 A)
 &rst
  ixpk= 125, nxpk= 20, iat=  -1, 254, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 258, 259, 260,
 &end
#
#   56 SER  HA           56 SER  HB-         3.00    (#    126:20        Unique  2.27, 2.73 A)
 &rst
  ixpk= 126, nxpk= 20, iat= 935,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 937, 938,
 &end
#
#   56 SER  HA           56 SER  HB+         3.00    (#    127:20        Unique  2.27, 2.73 A)
 &rst
  ixpk= 127, nxpk= 20, iat= 935,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 937, 938,
 &end
#
#   33 TYR  HB+          33 TYR  HA          3.20    (#    128:20        Unique  2.32, 2.69 A)
 &rst
  ixpk= 128, nxpk= 20, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr1= 522, 523,
 &end
#
#   78 MET  ME           33 TYR  HA          4.50    (#    129:20        Unique  2.99, 3.96 A)
 &rst
  ixpk= 129, nxpk= 20, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1271,1272,1273,
 &end
#
#   33 TYR  HB-          33 TYR  HA          3.50    (#    130:20        Unique  2.32, 2.69 A)
 &rst
  ixpk= 130, nxpk= 20, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 522, 523,
 &end
#
#   68 MET  ME           33 TYR  HA          4.00    (#    131:20        Unique  2.33, 3.62 A)
 &rst
  ixpk= 131, nxpk= 20, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1127,1128,1129,
 &end
#
#   20 VAL  HB           20 VAL  HA          3.00    (#    132:20        Unique  2.68, 2.99 A)
 &rst
  ixpk= 132, nxpk= 20, iat= 323, 321, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:133     20 VAL  HA          3.00    (#    133:20        Single  0.00, 0.00  )
 &rst
  ixpk= 133, nxpk= 20, iat=  -1, 321, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 325, 326, 327, 329, 330, 331, 325, 326, 327, 329,
       330, 331,
 &end
#
#    0 AMB  20-2:134      0 AMB  20-1:134    3.80    (#    134:20        Double  0.00, 0.00  )
 &rst
  ixpk= 134, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
 igr1=1840,1841,1842,1844,1845,1846,1304,1305,1306,1308,
      1309,1310,
 igr2=1564,1565,1564,1565,
 &end
#
#   65 VAL  MGY          65 VAL  HA          3.00    (#    135:20        Unique  2.18, 3.16 A)
 &rst
  ixpk= 135, nxpk= 20, iat=  -1,1076, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1080,1081,1082,1084,1085,1086,
 &end
#
#    0 AMB  20-2:136     65 VAL  HA          3.00    (#    136:20        Single  0.00, 0.00  )
 &rst
  ixpk= 136, nxpk= 20, iat=  -1,1076, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1335,1336,1337,1339,1340,1341,1080,1081,1082,1084,
      1085,1086,
 &end
#
#   34 TYR  HB-          34 TYR  HA          3.00    (#    137:20        Unique  2.64, 2.82 A)
 &rst
  ixpk= 137, nxpk= 20, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 543, 544,
 &end
#
#   37 ASP  HB+          34 TYR  HA          4.00    (#    138:20        Unique  3.17, 4.51 A)
 &rst
  ixpk= 138, nxpk= 20, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 604, 605,
 &end
#
#   34 TYR  HB+          34 TYR  HA          3.00    (#    139:20        Unique  2.64, 2.82 A)
 &rst
  ixpk= 139, nxpk= 20, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 543, 544,
 &end
#
#   85 ILE  QG2          85 ILE  HA          3.00    (#    140:20        Unique  2.20, 3.00 A)
 &rst
  ixpk= 140, nxpk= 20, iat=  -1,1369, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1373,1374,1375,
 &end
#
#   85 ILE  HB           85 ILE  HA          3.00    (#    141:20        Unique  2.48, 2.50 A)
 &rst
  ixpk= 141, nxpk= 20, iat=1371,1369, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   85 ILE  HG1+         85 ILE  HA          3.00    (#    142:20        Unique  3.68, 3.71 A)
 &rst
  ixpk= 142, nxpk= 20, iat=  -1,1369, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1377,1378,
 &end
#
#   37 ASP  HB-          34 TYR  HA          4.00    (#    143:20        Unique  3.17, 4.51 A)
 &rst
  ixpk= 143, nxpk= 20, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 604, 605,
 &end
#
#    0 AMB  20-2:144     85 ILE  HA          3.00    (#    144:20        Single  0.00, 0.00  )
 &rst
  ixpk= 144, nxpk= 20, iat=  -1,1369, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1=1377,1378,1349,1350,1351,
 &end
#
#   35 TYR  HB+          35 TYR  HA          3.00    (#    145:20        Unique  2.24, 2.66 A)
 &rst
  ixpk= 145, nxpk= 20, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 564, 565,
 &end
#
#   58 ILE  QG2          57 THR  HA          7.00    (#    146:20        Unique  5.99, 6.43 A)
 &rst
  ixpk= 146, nxpk= 20, iat=  -1, 946, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 964, 965, 966,
 &end
#
#   57 THR  HB           57 THR  HA          5.00    (#    147:20        Unique  2.51, 2.73 A)
 &rst
  ixpk= 147, nxpk= 20, iat= 948, 946, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:148     57 THR  HA          5.50    (#    148:20        Single  0.00, 0.00  )
 &rst
  ixpk= 148, nxpk= 20, iat=  -1, 946, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 962, 844, 845,
 &end
#
#   58 ILE  HG1-         57 THR  HA          6.00    (#    149:20        Unique  4.27, 4.94 A)
 &rst
  ixpk= 149, nxpk= 20, iat=  -1, 946, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 968, 969,
 &end
#
#   57 THR  MG2          57 THR  HA          5.00    (#    150:20        Unique  2.40, 3.63 A)
 &rst
  ixpk= 150, nxpk= 20, iat=  -1, 946, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 950, 951, 952,
 &end
#
#  121 ALA  MB          118 TYR  HA          3.00    (#    151:20        Unique  2.05, 3.34 A)
 &rst
  ixpk= 151, nxpk= 20, iat=  -1,1852, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1918,1919,1920,
 &end
#
#  118 TYR  HB-         118 TYR  HA          3.00    (#    152:20        Unique  2.33, 2.68 A)
 &rst
  ixpk= 152, nxpk= 20, iat=  -1,1852, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1854,1855,
 &end
#
#  118 TYR  HB+         118 TYR  HA          3.00    (#    153:20        Unique  2.33, 2.68 A)
 &rst
  ixpk= 153, nxpk= 20, iat=  -1,1852, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1854,1855,
 &end
#
#   32 TRP  HB-          32 TRP  HA          3.00    (#    154:20        Unique  2.58, 2.82 A)
 &rst
  ixpk= 154, nxpk= 20, iat=  -1, 496, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 498, 499,
 &end
#
#   18 ILE  QG2          32 TRP  HA          4.00    (#    155:20        Unique  1.93, 2.41 A)
 &rst
  ixpk= 155, nxpk= 20, iat=  -1, 496, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 287, 288, 289,
 &end
#
#    0 AMB  20-2:156     32 TRP  HA          3.00    (#    156:20        Single  0.00, 0.00  )
 &rst
  ixpk= 156, nxpk= 20, iat=  -1, 496, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 498, 499, 564, 565,
 &end
#
#   35 TYR  HB-          35 TYR  HA          3.00    (#    157:20        Unique  2.24, 2.66 A)
 &rst
  ixpk= 157, nxpk= 20, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 564, 565,
 &end
#
#   38 ASP  HB-          35 TYR  HA          3.50    (#    158:20        Unique  2.35, 3.08 A)
 &rst
  ixpk= 158, nxpk= 20, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 616, 617,
 &end
#
#   38 ASP  HB+          35 TYR  HA          3.50    (#    159:20        Unique  2.35, 3.08 A)
 &rst
  ixpk= 159, nxpk= 20, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 616, 617,
 &end
#
#  122 ARG  HB+         119 TRP  HA          4.00    (#    160:20        Unique  3.06, 4.26 A)
 &rst
  ixpk= 160, nxpk= 20, iat=  -1,1873, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1928,1929,
 &end
#
#   55 THR  MG2          55 THR  HA          6.00    (#    161:20        Unique  2.80, 3.68 A)
 &rst
  ixpk= 161, nxpk= 20, iat=  -1, 921, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 925, 926, 927,
 &end
#
#    0 AMB  20-2:162    119 TRP  HA          3.00    (#    162:20        Single  0.00, 0.00  )
 &rst
  ixpk= 162, nxpk= 20, iat=  -1,1873, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1875,1876, 148, 149,
 &end
#
#    0 AMB  20-2:163     58 ILE  HA          3.00    (#    163:20        Single  0.00, 0.00  )
 &rst
  ixpk= 163, nxpk= 20, iat=  -1, 960, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 844, 845, 962,
 &end
#
#   58 ILE  QG2          58 ILE  HA          3.00    (#    164:20        Unique  2.60, 3.35 A)
 &rst
  ixpk= 164, nxpk= 20, iat=  -1, 960, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 964, 965, 966,
 &end
#
#    0 AMB  20-2:165    103 ILE  HA          3.00    (#    165:20        Single  0.00, 0.00  )
 &rst
  ixpk= 165, nxpk= 20, iat=  -1,1629, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1637,1638,1631,
 &end
#
#    0 AMB  20-2:166      0 AMB  20-1:166    3.00    (#    166:20        Double  0.00, 0.00  )
 &rst
  ixpk= 166, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 968, 969,1637,1638,
 igr2= 960,1629,
 &end
#
#   19 ILE  QG2          28 ARG  HA          3.00    (#    167:20        Unique  1.89, 2.66 A)
 &rst
  ixpk= 167, nxpk= 20, iat=  -1, 438, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 306, 307, 308,
 &end
#
#   25 LYS  HG+          25 LYS  HA          4.00    (#    168:20        Unique  3.57, 3.91 A)
 &rst
  ixpk= 168, nxpk= 20, iat=  -1, 386, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 391, 392,
 &end
#
#    0 AMB  20-2:169      4 VAL  HA          6.50    (#    169:20        Single  0.00, 0.00  )
 &rst
  ixpk= 169, nxpk= 20, iat=  -1,  44, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
 igr1=  65,  66,  65,  66,
 &end
#
#    4 VAL  MGY           4 VAL  HA          3.00    (#    170:20        Unique  2.08, 3.20 A)
 &rst
  ixpk= 170, nxpk= 20, iat=  -1,  44, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=  48,  49,  50,  52,  53,  54,
 &end
#
#    0 AMB  20-2:171      0 AMB  20-1:171    3.00    (#    171:20        Double  0.00, 0.00  )
 &rst
  ixpk= 171, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1633,1634,1635,1840,1841,1842,1844,1845,1846,
 igr2=1629,1562,
 &end
#
#   31 GLY  HA-          19 ILE  HA          3.50    (#    172:20        Unique  1.91, 2.96 A)
 &rst
  ixpk= 172, nxpk= 20, iat=  -1, 302, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 489, 490,
 &end
#
#   19 ILE  HB           19 ILE  HA          3.00    (#    173:20        Unique  2.53, 2.66 A)
 &rst
  ixpk= 173, nxpk= 20, iat= 304, 302, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   19 ILE  QG2          19 ILE  HA          3.00    (#    174:20        Unique  2.03, 2.87 A)
 &rst
  ixpk= 174, nxpk= 20, iat=  -1, 302, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 306, 307, 308,
 &end
#
#   22 ALA  MB           19 ILE  HA          3.00    (#    175:20        Unique  2.84, 3.84 A)
 &rst
  ixpk= 175, nxpk= 20, iat=  -1, 302, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 351, 352, 353,
 &end
#
#    0 AMB  20-2:176      0 AMB  20-1:176    3.00    (#    176:20        Double  0.00, 0.00  )
 &rst
  ixpk= 176, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 201, 202, 130, 131, 132,
 igr2= 196, 140,
 &end
#
#    0 AMB  20-2:177      0 AMB  20-1:177    3.00    (#    177:20        Double  0.00, 0.00  )
 &rst
  ixpk= 177, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 145, 146, 198, 199, 198, 199,
 igr2= 140, 196,
 &end
#
#    0 AMB  20-2:178     28 ARG  HA          4.00    (#    178:20        Single  0.00, 0.00  )
 &rst
  ixpk= 178, nxpk= 20, iat=  -1, 438, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1= 425, 426,1271,1272,1273,
 &end
#
#   22 ALA  MB           28 ARG  HA          3.00    (#    179:20        Unique  2.03, 3.22 A)
 &rst
  ixpk= 179, nxpk= 20, iat=  -1, 438, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 351, 352, 353,
 &end
#
#   98 SER  HB-          98 SER  HA          3.00    (#    180:20        Unique  2.24, 2.66 A)
 &rst
  ixpk= 180, nxpk= 20, iat=  -1,1562, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1564,1565,
 &end
#
#    0 AMB  20-2:181     98 SER  HA          4.00    (#    181:20        Single  0.00, 0.00  )
 &rst
  ixpk= 181, nxpk= 20, iat=  -1,1562, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
      1909,1910,
 &end
#
#    0 AMB  20-2:182      0 AMB  20-1:182    5.00    (#    182:20        Double  0.00, 0.00  )
 &rst
  ixpk= 182, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 222, 273, 274,
 igr2= 140, 196,
 &end
#
#   14 ILE  HB           11 GLU  HA          3.00    (#    183:20        Unique  3.50, 4.19 A)
 &rst
  ixpk= 183, nxpk= 20, iat= 222, 164, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   11 GLU  HG+          11 GLU  HA          4.00    (#    184:20        Unique  2.11, 2.99 A)
 &rst
  ixpk= 184, nxpk= 20, iat=  -1, 164, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 169, 170,
 &end
#
#   14 ILE  QD1          11 GLU  HA          4.00    (#    185:20        Unique  4.57, 6.04 A)
 &rst
  ixpk= 185, nxpk= 20, iat=  -1, 164, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 231, 232, 233,
 &end
#
#    0 AMB  20-2:186      0 AMB  20-1:186    3.00    (#    186:20        Double  0.00, 0.00  )
 &rst
  ixpk= 186, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 169, 170, 428, 429,
 igr2= 111, 423,
 &end
#
#    0 AMB  20-2:187      0 AMB  20-1:187    3.00    (#    187:20        Double  0.00, 0.00  )
 &rst
  ixpk= 187, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 224, 225, 226, 351, 352, 353,
 igr2= 239, 423,
 &end
#
#   19 ILE  HG1-         15 GLU  HA          4.00    (#    188:20        Unique  1.99, 3.30 A)
 &rst
  ixpk= 188, nxpk= 20, iat=  -1, 239, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 310, 311,
 &end
#
#    0 AMB  20-2:189     56 SER  HA          3.00    (#    189:20        Single  0.00, 0.00  )
 &rst
  ixpk= 189, nxpk= 20, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 937, 938, 937, 938,
 &end
#
#    0 AMB  20-2:190      0 AMB  20-1:190    3.50    (#    190:20        Double  0.00, 0.00  )
 &rst
  ixpk= 190, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 169, 170, 428, 429,
 igr2= 111, 423,
 &end
#
#    0 AMB  20-2:191      0 AMB  20-1:191    3.00    (#    191:20        Double  0.00, 0.00  )
 &rst
  ixpk= 191, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 113, 114, 425, 426,
 igr2= 111, 423,
 &end
#
#  110 GLN  HG-         110 GLN  HA          3.80    (#    192:20        Unique  2.24, 3.16 A)
 &rst
  ixpk= 192, nxpk= 20, iat=  -1,1726, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1=1731,1732,
 &end
#
#  110 GLN  HB+         110 GLN  HA          3.00    (#    193:20        Unique  2.58, 2.81 A)
 &rst
  ixpk= 193, nxpk= 20, iat=  -1,1726, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1728,1729,
 &end
#
#    0 AMB  20-2:194    110 GLN  HA          3.00    (#    194:20        Single  0.00, 0.00  )
 &rst
  ixpk= 194, nxpk= 20, iat=  -1,1726, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1779,1780,1781,1664,1665,1666,1668,1669,1670,
 &end
#
#  116 TRP  HB+         116 TRP  HA          3.00    (#    195:20        Unique  2.26, 2.65 A)
 &rst
  ixpk= 195, nxpk= 20, iat=  -1,1809, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1811,1812,
 &end
#
#  114 ALA  MB          111 GLU  HA          3.00    (#    196:20        Unique  2.73, 3.85 A)
 &rst
  ixpk= 196, nxpk= 20, iat=  -1,1743, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1789,1790,1791,
 &end
#
#    0 AMB  20-2:197     36 LEU  HA          3.00    (#    197:20        Single  0.00, 0.00  )
 &rst
  ixpk= 197, nxpk= 20, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1= 585, 586,1760,1761,1762,
 &end
#
#    0 AMB  20-2:198      3 SER  HA          3.00    (#    198:20        Single  0.00, 0.00  )
 &rst
  ixpk= 198, nxpk= 20, iat=  -1,  33, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  35,  36,  35,  36,
 &end
#
#    2 ALA  MB            3 SER  HA          5.00    (#    199:20        Unique  3.79, 4.79 A)
 &rst
  ixpk= 199, nxpk= 20, iat=  -1,  33, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=  25,  26,  27,
 &end
#
#    4 VAL  MGX           3 SER  HA          5.00    (#    200:20        Unique  4.13, 6.01 A)
 &rst
  ixpk= 200, nxpk= 20, iat=  -1,  33, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=  48,  49,  50,  52,  53,  54,
 &end
#
#  117 LEU  HB-         117 LEU  HA          3.00    (#    202:20        Unique  2.48, 2.78 A)
 &rst
  ixpk= 202, nxpk= 20, iat=  -1,1833, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1835,1836,
 &end
#
#  117 LEU  MDY         117 LEU  HA          3.00    (#    203:20        Unique  1.97, 3.86 A)
 &rst
  ixpk= 203, nxpk= 20, iat=  -1,1833, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1840,1841,1842,1844,1845,1846,
 &end
#
#    0 AMB  20-2:204    117 LEU  HA          3.00    (#    204:20        Single  0.00, 0.00  )
 &rst
  ixpk= 204, nxpk= 20, iat=  -1,1833, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1899,1900,1835,1836,
 &end
#
#   37 ASP  HB-          37 ASP  HA          3.00    (#    205:20        Unique  2.24, 2.66 A)
 &rst
  ixpk= 205, nxpk= 20, iat=  -1, 602, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 604, 605,
 &end
#
#    0 AMB  20-2:206      0 AMB  20-1:206    3.50    (#    206:20        Double  0.00, 0.00  )
 &rst
  ixpk= 206, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1748,1749,1120,1121,
 igr2=1700, 602,
 &end
#
#    0 AMB  20-2:207     37 ASP  HA          3.00    (#    207:20        Single  0.00, 0.00  )
 &rst
  ixpk= 207, nxpk= 20, iat=  -1, 602, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1123,1124, 604, 605,
 &end
#
#  108 ASP  HB+         108 ASP  HA          3.00    (#    208:20        Unique  2.32, 2.81 A)
 &rst
  ixpk= 208, nxpk= 20, iat=  -1,1700, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1702,1703,
 &end
#
#   54 LYS  HG-           0 AMB  20-1:209    3.40    (#    209:20        Single  0.00, 0.00  )
 &rst
  ixpk= 209, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr1= 904, 905,
 igr2= 899, 875,
 &end
#
#  106 ASP  HB+         107 ASP  HA          5.00    (#    210:20        Unique  4.46, 5.10 A)
 &rst
  ixpk= 210, nxpk= 20, iat=  -1,1688, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1678,1679,
 &end
#
#  107 ASP  HB+         107 ASP  HA          3.00    (#    211:20        Unique  2.41, 2.78 A)
 &rst
  ixpk= 211, nxpk= 20, iat=  -1,1688, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1690,1691,
 &end
#
#  111 GLU  HG+         107 ASP  HA          4.00    (#    212:20        Unique  3.08, 3.69 A)
 &rst
  ixpk= 212, nxpk= 20, iat=  -1,1688, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1748,1749,
 &end
#
#  110 GLN  HB+         107 ASP  HA          3.00    (#    213:20        Unique  3.00, 3.45 A)
 &rst
  ixpk= 213, nxpk= 20, iat=  -1,1688, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1728,1729,
 &end
#
#    0 AMB  20-2:214      0 AMB  20-1:214    3.00    (#    214:20        Double  0.00, 0.00  )
 &rst
  ixpk= 214, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 877, 878, 901, 902,
 igr2= 875, 899,
 &end
#
#    0 AMB  20-2:215      0 AMB  20-1:215    3.00    (#    215:20        Double  0.00, 0.00  )
 &rst
  ixpk= 215, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 880, 881, 907, 908,
 igr2= 875, 899,
 &end
#
#   53 ARG  HD+          53 ARG  HA          4.30    (#    216:20        Unique  3.29, 4.08 A)
 &rst
  ixpk= 216, nxpk= 20, iat=  -1, 875, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 883, 884,
 &end
#
#   71 ASP  HB+          71 ASP  HA          3.00    (#    218:20        Unique  2.35, 2.56 A)
 &rst
  ixpk= 218, nxpk= 20, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1161,1162,
 &end
#
#   74 CYS  HB-          71 ASP  HA          4.00    (#    219:20        Unique  2.52, 4.71 A)
 &rst
  ixpk= 219, nxpk= 20, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1200,1201,
 &end
#
#   71 ASP  HB-          71 ASP  HA          3.00    (#    220:20        Unique  2.35, 2.56 A)
 &rst
  ixpk= 220, nxpk= 20, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1161,1162,
 &end
#
#   52 SER  HB+          52 SER  HA          5.00    (#    221:20        Unique  2.34, 2.76 A)
 &rst
  ixpk= 221, nxpk= 20, iat=  -1, 864, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 866, 867,
 &end
#
#    0 AMB  20-2:222     97 LEU  HA          3.00    (#    222:20        Single  0.00, 0.00  )
 &rst
  ixpk= 222, nxpk= 20, iat=  -1,1543, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1550,1551,1552,1554,1555,1556,1589,1590,1591,
 &end
#
#  100 ILE  HB           97 LEU  HA          4.00    (#    223:20        Unique  4.04, 4.22 A)
 &rst
  ixpk= 223, nxpk= 20, iat=1587,1543, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:224     97 LEU  HA          3.00    (#    224:20        Single  0.00, 0.00  )
 &rst
  ixpk= 224, nxpk= 20, iat=  -1,1543, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1=1550,1551,1552,1554,1555,1556,1772,1773,1774,1545,
      1546,
 &end
#
#    0 AMB  20-2:225     97 LEU  HA          4.00    (#    225:20        Single  0.00, 0.00  )
 &rst
  ixpk= 225, nxpk= 20, iat=  -1,1543, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1304,1305,1306,1308,1309,1310,1904,1905,1906,1908,
      1909,1910,1904,1905,1906,1908,1909,1910,
 &end
#
#   97 LEU  HB+          97 LEU  HA          3.00    (#    226:20        Unique  2.44, 2.78 A)
 &rst
  ixpk= 226, nxpk= 20, iat=  -1,1543, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1545,1546,
 &end
#
#   96 LYS  HG+          96 LYS  HA          4.00    (#    227:20        Unique  2.43, 3.28 A)
 &rst
  ixpk= 227, nxpk= 20, iat=  -1,1521, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1526,1527,
 &end
#
#   96 LYS  HB+          96 LYS  HA          3.00    (#    228:20        Unique  2.37, 2.77 A)
 &rst
  ixpk= 228, nxpk= 20, iat=  -1,1521, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1523,1524,
 &end
#
#   96 LYS  HD+          96 LYS  HA          4.40    (#    229:20        Unique  1.55, 3.01 A)
 &rst
  ixpk= 229, nxpk= 20, iat=  -1,1521, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=1529,1530,
 &end
#
#   23 GLU  HB+          23 GLU  HA          3.00    (#    230:20        Unique  2.39, 2.73 A)
 &rst
  ixpk= 230, nxpk= 20, iat=  -1, 359, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 361, 362,
 &end
#
#   22 ALA  MB           23 GLU  HA          4.00    (#    231:20        Unique  4.31, 5.11 A)
 &rst
  ixpk= 231, nxpk= 20, iat=  -1, 359, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 351, 352, 353,
 &end
#
#    6 ARG  HB-           6 ARG  HA          3.00    (#    232:20        Unique  2.24, 2.46 A)
 &rst
  ixpk= 232, nxpk= 20, iat=  -1,  75, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=  77,  78,
 &end
#
#    0 AMB  20-2:233      0 AMB  20-1:233    5.00    (#    233:20        Double  0.00, 0.00  )
 &rst
  ixpk= 233, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 361, 362, 270, 271,
 igr2= 359, 268,
 &end
#
#   17 GLU  HB-          17 GLU  HA          4.50    (#    234:20        Unique  2.42, 2.73 A)
 &rst
  ixpk= 234, nxpk= 20, iat=  -1, 268, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 270, 271,
 &end
#
#    0 AMB  20-2:235     17 GLU  HA          5.00    (#    235:20        Single  0.00, 0.00  )
 &rst
  ixpk= 235, nxpk= 20, iat=  -1, 268, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 325, 326, 327, 329, 330, 331, 325, 326, 327, 329,
       330, 331,
 &end
#
#  120 LEU  HB+         120 LEU  HA          3.00    (#    236:20        Unique  2.24, 2.64 A)
 &rst
  ixpk= 236, nxpk= 20, iat=  -1,1897, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1899,1900,
 &end
#
#    0 AMB  20-2:237    120 LEU  HA          3.00    (#    237:20        Single  0.00, 0.00  )
 &rst
  ixpk= 237, nxpk= 20, iat=  -1,1897, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
      1909,1910,
 &end
#
#  120 LEU  HB-         120 LEU  HA          3.00    (#    238:20        Unique  2.24, 2.64 A)
 &rst
  ixpk= 238, nxpk= 20, iat=  -1,1897, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1899,1900,
 &end
#
#   73 GLU  HB+          73 GLU  HA          3.00    (#    239:20        Unique  2.33, 2.74 A)
 &rst
  ixpk= 239, nxpk= 20, iat=  -1,1183, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1185,1186,
 &end
#
#   73 GLU  HB-          73 GLU  HA          3.00    (#    240:20        Unique  2.33, 2.74 A)
 &rst
  ixpk= 240, nxpk= 20, iat=  -1,1183, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1185,1186,
 &end
#
#   51 LYS  HB+          51 LYS  HA          3.00    (#    241:20        Unique  2.29, 2.81 A)
 &rst
  ixpk= 241, nxpk= 20, iat=  -1, 842, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 844, 845,
 &end
#
#    0 AMB  20-2:242      0 AMB  20-1:242    5.50    (#    242:20        Double  0.00, 0.00  )
 &rst
  ixpk= 242, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 968, 969,1407,1408,
 igr2= 842,1402,
 &end
#
#   87 GLY  HA+          88 LYS  HA          5.00    (#    243:20        Unique  4.35, 4.46 A)
 &rst
  ixpk= 243, nxpk= 20, iat=  -1,1402, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1395,1396,
 &end
#
#   51 LYS  HG+          51 LYS  HA          3.30    (#    244:20        Unique  2.03, 2.79 A)
 &rst
  ixpk= 244, nxpk= 20, iat=  -1, 842, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 847, 848,
 &end
#
#   58 ILE  HG1+         51 LYS  HA          4.00    (#    245:20        Unique  2.27, 4.15 A)
 &rst
  ixpk= 245, nxpk= 20, iat=  -1, 842, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 968, 969,
 &end
#
#   50 LYS  HG+          51 LYS  HA          5.00    (#    246:20        Unique  4.03, 4.80 A)
 &rst
  ixpk= 246, nxpk= 20, iat=  -1, 842, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 825, 826,
 &end
#
#    0 AMB  20-2:247     75 LEU  HA          3.00    (#    247:20        Single  0.00, 0.00  )
 &rst
  ixpk= 247, nxpk= 20, iat=  -1,1209, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 464, 465, 466,1216,1217,1218,1220,1221,1222,
 &end
#
#   75 LEU  HB-          75 LEU  HA          3.00    (#    248:20        Unique  2.40, 2.73 A)
 &rst
  ixpk= 248, nxpk= 20, iat=  -1,1209, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1211,1212,
 &end
#
#   75 LEU  HB+          75 LEU  HA          3.00    (#    249:20        Unique  2.40, 2.73 A)
 &rst
  ixpk= 249, nxpk= 20, iat=  -1,1209, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1211,1212,
 &end
#
#   75 LEU  MDX          75 LEU  HA          3.00    (#    250:20        Unique  1.99, 3.81 A)
 &rst
  ixpk= 250, nxpk= 20, iat=  -1,1209, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1216,1217,1218,1220,1221,1222,
 &end
#
#   43 PRO  HB+          66 LEU  HA          3.50    (#    251:20        Unique  1.98, 3.05 A)
 &rst
  ixpk= 251, nxpk= 20, iat=  -1,1092, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 699, 700,
 &end
#
#   43 PRO  HB-          66 LEU  HA          3.50    (#    252:20        Unique  1.98, 3.05 A)
 &rst
  ixpk= 252, nxpk= 20, iat=  -1,1092, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 699, 700,
 &end
#
#    0 AMB  20-2:253     66 LEU  HA          4.00    (#    253:20        Single  0.00, 0.00  )
 &rst
  ixpk= 253, nxpk= 20, iat=  -1,1092, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 696, 697, 696, 697,1066,1067,
 &end
#
#   81 GLU  HB+          66 LEU  HA          5.00    (#    254:20        Unique  4.91, 5.69 A)
 &rst
  ixpk= 254, nxpk= 20, iat=  -1,1092, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1318,1319,
 &end
#
#   66 LEU  HB+          66 LEU  HA          3.00    (#    255:20        Unique  2.31, 2.78 A)
 &rst
  ixpk= 255, nxpk= 20, iat=  -1,1092, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1094,1095,
 &end
#
#   66 LEU  MDX          66 LEU  HA          3.00    (#    256:20        Unique  1.96, 3.65 A)
 &rst
  ixpk= 256, nxpk= 20, iat=  -1,1092, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1099,1100,1101,1103,1104,1105,
 &end
#
#   33 TYR  HB-          30 MET  HA          4.00    (#    258:20        Unique  2.87, 3.81 A)
 &rst
  ixpk= 258, nxpk= 20, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 522, 523,
 &end
#
#   30 MET  ME           30 MET  HA          3.00    (#    259:20        Unique  1.99, 3.01 A)
 &rst
  ixpk= 259, nxpk= 20, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 481, 482, 483,
 &end
#
#    5 GLU  HG+           5 GLU  HA          5.00    (#    260:20        Unique  2.39, 3.72 A)
 &rst
  ixpk= 260, nxpk= 20, iat=  -1,  60, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  65,  66,
 &end
#
#    5 GLU  HB+           5 GLU  HA          4.50    (#    261:20        Unique  2.35, 2.48 A)
 &rst
  ixpk= 261, nxpk= 20, iat=  -1,  60, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  62,  63,
 &end
#
#    5 GLU  HB-           5 GLU  HA          4.50    (#    262:20        Unique  2.35, 2.48 A)
 &rst
  ixpk= 262, nxpk= 20, iat=  -1,  60, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  62,  63,
 &end
#
#   75 LEU  HB+          75 LEU  HA          3.00    (#    263:20        Unique  2.40, 2.73 A)
 &rst
  ixpk= 263, nxpk= 20, iat=  -1,1209, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1211,1212,
 &end
#
#  109 THR  MG2          40 LEU  HA          3.00    (#    264:20        Unique  1.99, 3.60 A)
 &rst
  ixpk= 264, nxpk= 20, iat=  -1, 640, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1716,1717,1718,
 &end
#
#   40 LEU  HG           40 LEU  HA          3.00    (#    265:20        Unique  2.41, 2.64 A)
 &rst
  ixpk= 265, nxpk= 20, iat= 645, 640, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   40 LEU  HB+          40 LEU  HA          3.00    (#    266:20        Unique  2.57, 2.82 A)
 &rst
  ixpk= 266, nxpk= 20, iat=  -1, 640, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 642, 643,
 &end
#
#   50 LYS  HB-          50 LYS  HA          3.00    (#    267:20        Unique  2.46, 2.78 A)
 &rst
  ixpk= 267, nxpk= 20, iat=  -1, 820, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 822, 823,
 &end
#
#    0 AMB  20-2:268     50 LYS  HA          4.20    (#    268:20        Single  0.00, 0.00  )
 &rst
  ixpk= 268, nxpk= 20, iat=  -1, 820, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 844, 845, 981, 982,1011,1012,
 &end
#
#   50 LYS  HD+          50 LYS  HA          4.00    (#    269:20        Unique  3.70, 4.35 A)
 &rst
  ixpk= 269, nxpk= 20, iat=  -1, 820, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 828, 829,
 &end
#
#   49 LYS  HG-          49 LYS  HA          3.00    (#    270:20        Unique  3.02, 3.61 A)
 &rst
  ixpk= 270, nxpk= 20, iat=  -1, 798, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 803, 804,
 &end
#
#   58 ILE  QG2          49 LYS  HA          3.00    (#    271:20        Unique  2.25, 3.41 A)
 &rst
  ixpk= 271, nxpk= 20, iat=  -1, 798, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 964, 965, 966,
 &end
#
#   49 LYS  HB-          49 LYS  HA          3.00    (#    272:20        Unique  2.30, 2.67 A)
 &rst
  ixpk= 272, nxpk= 20, iat=  -1, 798, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 800, 801,
 &end
#
#   49 LYS  HG+          49 LYS  HA          3.30    (#    273:20        Unique  3.02, 3.61 A)
 &rst
  ixpk= 273, nxpk= 20, iat=  -1, 798, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 803, 804,
 &end
#
#  117 LEU  MDX         114 ALA  HA          3.00    (#    274:20        Unique  1.98, 4.09 A)
 &rst
  ixpk= 274, nxpk= 20, iat=  -1,1787, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1840,1841,1842,1844,1845,1846,
 &end
#
#  114 ALA  MB          114 ALA  HA          3.00    (#    275:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 275, nxpk= 20, iat=  -1,1787, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1789,1790,1791,
 &end
#
#    0 AMB  20-2:276    114 ALA  HA          5.00    (#    276:20        Single  0.00, 0.00  )
 &rst
  ixpk= 276, nxpk= 20, iat=  -1,1787, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1833,1768,1726,
 &end
#
#    0 AMB  20-2:277     50 LYS  HA          5.50    (#    277:20        Single  0.00, 0.00  )
 &rst
  ixpk= 277, nxpk= 20, iat=  -1, 820, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 850, 851, 844, 845,
 &end
#
#   50 LYS  HB+          50 LYS  HA          3.00    (#    278:20        Unique  2.46, 2.78 A)
 &rst
  ixpk= 278, nxpk= 20, iat=  -1, 820, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 822, 823,
 &end
#
#    0 AMB  20-2:280     21 ASP  HA          3.00    (#    280:20        Single  0.00, 0.00  )
 &rst
  ixpk= 280, nxpk= 20, iat=  -1, 337, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 325, 326, 327, 329, 330, 331, 325, 326, 327, 329,
       330, 331,
 &end
#
#   20 VAL  HA           21 ASP  HA          5.00    (#    281:20        Unique  4.53, 4.56 A)
 &rst
  ixpk= 281, nxpk= 20, iat= 321, 337, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    1 MET  HB-           1 MET  HA          3.00    (#    282:20        Unique  2.30, 2.63 A)
 &rst
  ixpk= 282, nxpk= 20, iat=  -1,   6, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=   8,   9,
 &end
#
#    1 MET  HG+           1 MET  HA          3.80    (#    283:20        Unique  2.30, 3.29 A)
 &rst
  ixpk= 283, nxpk= 20, iat=  -1,   6, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1=  11,  12,
 &end
#
#    1 MET  HB+           1 MET  HA          3.00    (#    284:20        Unique  2.30, 2.63 A)
 &rst
  ixpk= 284, nxpk= 20, iat=  -1,   6, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=   8,   9,
 &end
#
#  103 ILE  QG2         104 ASP  HA          4.00    (#    285:20        Unique  3.80, 4.79 A)
 &rst
  ixpk= 285, nxpk= 20, iat=  -1,1648, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1633,1634,1635,
 &end
#
#  104 ASP  HB+         104 ASP  HA          3.00    (#    286:20        Unique  2.45, 2.80 A)
 &rst
  ixpk= 286, nxpk= 20, iat=  -1,1648, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1650,1651,
 &end
#
#  104 ASP  HB-         104 ASP  HA          3.00    (#    287:20        Unique  2.45, 2.80 A)
 &rst
  ixpk= 287, nxpk= 20, iat=  -1,1648, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1650,1651,
 &end
#
#    0 AMB  20-2:289     72 ASP  HA          3.00    (#    289:20        Single  0.00, 0.00  )
 &rst
  ixpk= 289, nxpk= 20, iat=  -1,1171, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1173,1174,1173,1174,
 &end
#
#   29 ALA  MB           29 ALA  HA          3.00    (#    291:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 291, nxpk= 20, iat=  -1, 462, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 464, 465, 466,
 &end
#
#   78 MET  ME           29 ALA  HA          4.00    (#    292:20        Unique  1.99, 3.03 A)
 &rst
  ixpk= 292, nxpk= 20, iat=  -1, 462, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1271,1272,1273,
 &end
#
#   89 ASP  HB+          89 ASP  HA          3.50    (#    294:20        Unique  2.34, 2.76 A)
 &rst
  ixpk= 294, nxpk= 20, iat=  -1,1424, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1426,1427,
 &end
#
#    0 AMB  20-2:296    121 ALA  HA          4.00    (#    296:20        Single  0.00, 0.00  )
 &rst
  ixpk= 296, nxpk= 20, iat=  -1,1916, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
      1909,1910,
 &end
#
#  124 TYR  HB-         124 TYR  HA          3.00    (#    298:20        Unique  2.27, 2.50 A)
 &rst
  ixpk= 298, nxpk= 20, iat=  -1,1957, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1959,1960,
 &end
#
#  122 ARG  HD+         122 ARG  HA          4.20    (#    300:20        Unique  2.10, 3.23 A)
 &rst
  ixpk= 300, nxpk= 20, iat=  -1,1926, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1=1934,1935,
 &end
#
#    4 VAL  MGX         122 ARG  HA          4.00    (#    301:20        Unique  3.53, 5.59 A)
 &rst
  ixpk= 301, nxpk= 20, iat=  -1,1926, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=  48,  49,  50,  52,  53,  54,
 &end
#
#  122 ARG  HB-         122 ARG  HA          3.00    (#    302:20        Unique  2.45, 2.81 A)
 &rst
  ixpk= 302, nxpk= 20, iat=  -1,1926, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1928,1929,
 &end
#
#  122 ARG  HB+         122 ARG  HA          4.00    (#    303:20        Unique  2.45, 2.81 A)
 &rst
  ixpk= 303, nxpk= 20, iat=  -1,1926, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1928,1929,
 &end
#
#  106 ASP  HB+         106 ASP  HA          3.00    (#    304:20        Unique  2.35, 2.82 A)
 &rst
  ixpk= 304, nxpk= 20, iat=  -1,1676, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1678,1679,
 &end
#
#  106 ASP  HB-         106 ASP  HA          3.00    (#    305:20        Unique  2.35, 2.82 A)
 &rst
  ixpk= 305, nxpk= 20, iat=  -1,1676, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1678,1679,
 &end
#
#    0 AMB  20-2:306    106 ASP  HA          5.50    (#    306:20        Single  0.00, 0.00  )
 &rst
  ixpk= 306, nxpk= 20, iat=  -1,1676, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1662,1728,1729,
 &end
#
#   46 GLY  HA+         102 ALA  HA          3.00    (#    307:20        Unique  2.17, 2.94 A)
 &rst
  ixpk= 307, nxpk= 20, iat=  -1,1619, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 745, 746,
 &end
#
#  102 ALA  MB          102 ALA  HA          3.00    (#    308:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 308, nxpk= 20, iat=  -1,1619, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1621,1622,1623,
 &end
#
#  100 ILE  QG2         102 ALA  HA          4.00    (#    310:20        Unique  3.60, 4.87 A)
 &rst
  ixpk= 310, nxpk= 20, iat=  -1,1619, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1589,1590,1591,
 &end
#
#   27 GLU  HG-          22 ALA  HA          4.00    (#    311:20        Unique  3.16, 3.86 A)
 &rst
  ixpk= 311, nxpk= 20, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 428, 429,
 &end
#
#    0 AMB  20-2:312     22 ALA  HA          5.00    (#    312:20        Single  0.00, 0.00  )
 &rst
  ixpk= 312, nxpk= 20, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 304, 364, 365,
 &end
#
#    0 AMB  20-2:313     22 ALA  HA          3.00    (#    313:20        Single  0.00, 0.00  )
 &rst
  ixpk= 313, nxpk= 20, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 425, 426, 425, 426,
 &end
#
#   22 ALA  MB           22 ALA  HA          3.00    (#    314:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 314, nxpk= 20, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 351, 352, 353,
 &end
#
#    0 AMB  20-2:315      2 ALA  HA          5.00    (#    315:20        Single  0.00, 0.00  )
 &rst
  ixpk= 315, nxpk= 20, iat=  -1,  23, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1926,1875,1876,
 &end
#
#    2 ALA  MB            2 ALA  HA          3.00    (#    316:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 316, nxpk= 20, iat=  -1,  23, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=  25,  26,  27,
 &end
#
#   70 PRO  HD-          69 ALA  HA          3.00    (#    317:20        Unique  2.38, 2.61 A)
 &rst
  ixpk= 317, nxpk= 20, iat=  -1,1135, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1144,1145,
 &end
#
#   70 PRO  HD+          69 ALA  HA          3.00    (#    318:20        Unique  2.38, 2.61 A)
 &rst
  ixpk= 318, nxpk= 20, iat=  -1,1135, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1144,1145,
 &end
#
#    0 AMB  20-2:319     69 ALA  HA          4.80    (#    319:20        Single  0.00, 0.00  )
 &rst
  ixpk= 319, nxpk= 20, iat=  -1,1135, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr1=1188,1189,1147,1148,1302,
 &end
#
#   81 GLU  HG+          69 ALA  HA          3.80    (#    320:20        Unique  2.32, 3.60 A)
 &rst
  ixpk= 320, nxpk= 20, iat=  -1,1135, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1=1321,1322,
 &end
#
#   81 GLU  HG-          69 ALA  HA          4.00    (#    321:20        Unique  2.32, 3.60 A)
 &rst
  ixpk= 321, nxpk= 20, iat=  -1,1135, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1321,1322,
 &end
#
#   43 PRO  HB+          43 PRO  HD+         4.20    (#    322:20        Unique  2.98, 3.70 A)
 &rst
  ixpk= 322, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 699, 700,
 igr2= 693, 694,
 &end
#
#    0 AMB  20-2:323      0 AMB  20-1:323    3.00    (#    323:20        Double  0.00, 0.00  )
 &rst
  ixpk= 323, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 696, 697, 696, 697,
 igr2= 693, 694, 693, 694,
 &end
#
#   43 PRO  HB+          43 PRO  HD-         4.00    (#    324:20        Unique  2.98, 3.70 A)
 &rst
  ixpk= 324, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 699, 700,
 igr2= 693, 694,
 &end
#
#    0 AMB  20-2:325     43 PRO  HD-         3.00    (#    325:20        Single  0.00, 0.00  )
 &rst
  ixpk= 325, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 696, 697, 696, 697,
 igr2= 693, 694,
 &end
#
#   43 PRO  HB-          43 PRO  HD-         4.00    (#    326:20        Unique  2.98, 3.70 A)
 &rst
  ixpk= 326, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 699, 700,
 igr2= 693, 694,
 &end
#
#   69 ALA  HA           70 PRO  HD-         3.00    (#    328:20        Unique  2.38, 2.61 A)
 &rst
  ixpk= 328, nxpk= 20, iat=1135,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1144,1145,
 &end
#
#   69 ALA  MB           70 PRO  HD-         3.00    (#    329:20        Unique  1.88, 3.05 A)
 &rst
  ixpk= 329, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1137,1138,1139,
 igr2=1144,1145,
 &end
#
#   69 ALA  HA           70 PRO  HD+         3.00    (#    330:20        Unique  2.38, 2.61 A)
 &rst
  ixpk= 330, nxpk= 20, iat=1135,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1144,1145,
 &end
#
#    0 AMB  20-2:331      0 AMB  20-1:331    3.00    (#    331:20        Double  0.00, 0.00  )
 &rst
  ixpk= 331, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1188,1189,1147,1148,
 igr2=1144,1145,1144,1145,
 &end
#
#   70 PRO  HG-          70 PRO  HD+         3.00    (#    332:20        Unique  2.30, 2.58 A)
 &rst
  ixpk= 332, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1147,1148,
 igr2=1144,1145,
 &end
#
#   69 ALA  MB           70 PRO  HD+         3.00    (#    333:20        Unique  1.88, 3.05 A)
 &rst
  ixpk= 333, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1137,1138,1139,
 igr2=1144,1145,
 &end
#
#    0 AMB  20-2:335      0 AMB  20-1:335    4.00    (#    335:20        Double  0.00, 0.00  )
 &rst
  ixpk= 335, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1373,1374,1375,1049,1050,1051,1053,1054,1055,
 igr2=1388,1389,1388,1389,
 &end
#
#   85 ILE  HB           86 GLY  HA+         5.00    (#    336:20        Unique  4.87, 4.97 A)
 &rst
  ixpk= 336, nxpk= 20, iat=1371,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1388,1389,
 &end
#
#   84 ASP  HB+          87 GLY  HA+         5.00    (#    337:20        Unique  2.67, 4.37 A)
 &rst
  ixpk= 337, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1359,1360,
 igr2=1395,1396,
 &end
#
#   88 LYS  HG+          87 GLY  HA-         5.00    (#    338:20        Unique  3.13, 4.65 A)
 &rst
  ixpk= 338, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1407,1408,
 igr2=1395,1396,
 &end
#
#   84 ASP  HB-          87 GLY  HA-         5.00    (#    339:20        Unique  2.67, 4.37 A)
 &rst
  ixpk= 339, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1359,1360,
 igr2=1395,1396,
 &end
#
#   84 ASP  HB+          87 GLY  HA-         5.00    (#    340:20        Unique  2.67, 4.37 A)
 &rst
  ixpk= 340, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1359,1360,
 igr2=1395,1396,
 &end
#
#    0 AMB  20-2:341     87 GLY  HA-         6.00    (#    341:20        Single  0.00, 0.00  )
 &rst
  ixpk= 341, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1404,1405,1011,1012,
 igr2=1395,1396,
 &end
#
#   84 ASP  HB-          87 GLY  HA+         5.00    (#    342:20        Unique  2.67, 4.37 A)
 &rst
  ixpk= 342, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1359,1360,
 igr2=1395,1396,
 &end
#
#    0 AMB  20-2:343      0 AMB  20-1:343    6.00    (#    343:20        Double  0.00, 0.00  )
 &rst
  ixpk= 343, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
 igr1=1080,1081,1082,1084,1085,1086,1335,1336,1337,1339,
      1340,1341,
 igr2= 745, 746, 745, 746,
 &end
#
#  102 ALA  HA           46 GLY  HA+         4.00    (#    344:20        Unique  2.17, 2.94 A)
 &rst
  ixpk= 344, nxpk= 20, iat=1619,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 745, 746,
 &end
#
#  100 ILE  HG1+         46 GLY  HA+         6.50    (#    345:20        Unique  1.93, 4.16 A)
 &rst
  ixpk= 345, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
 igr1=1593,1594,
 igr2= 745, 746,
 &end
#
#  100 ILE  QG2          46 GLY  HA+         4.00    (#    346:20        Unique  2.36, 4.37 A)
 &rst
  ixpk= 346, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1589,1590,1591,
 igr2= 745, 746,
 &end
#
#  100 ILE  HG1+         46 GLY  HA+         6.50    (#    348:20        Unique  1.93, 4.16 A)
 &rst
  ixpk= 348, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
 igr1=1593,1594,
 igr2= 745, 746,
 &end
#
#    6 ARG  HG+           6 ARG  HD+         3.00    (#    349:20        Unique  2.22, 2.65 A)
 &rst
  ixpk= 349, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  80,  81,
 igr2=  83,  84,
 &end
#
#    6 ARG  HB-           6 ARG  HD+         3.00    (#    350:20        Unique  2.08, 3.34 A)
 &rst
  ixpk= 350, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  77,  78,
 igr2=  83,  84,
 &end
#
#   53 ARG  HG+          53 ARG  HD+         3.00    (#    354:20        Unique  2.22, 2.71 A)
 &rst
  ixpk= 354, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 880, 881,
 igr2= 883, 884,
 &end
#
#    6 ARG  HG+           6 ARG  HD-         3.00    (#    355:20        Unique  2.22, 2.65 A)
 &rst
  ixpk= 355, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  80,  81,
 igr2=  83,  84,
 &end
#
#   66 LEU  HA           66 LEU  HB-         3.50    (#    356:20        Unique  2.31, 2.78 A)
 &rst
  ixpk= 356, nxpk= 20, iat=1092,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1094,1095,
 &end
#
#    0 AMB  20-2:357     66 LEU  HB-         3.00    (#    357:20        Single  0.00, 0.00  )
 &rst
  ixpk= 357, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1=1099,1100,1101,1103,1104,1105,1097,
 igr2=1094,1095,
 &end
#
#   66 LEU  HA           66 LEU  HB-         3.50    (#    358:20        Unique  2.31, 2.78 A)
 &rst
  ixpk= 358, nxpk= 20, iat=1092,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1094,1095,
 &end
#
#   66 LEU  HA           66 LEU  HB+         3.50    (#    359:20        Unique  2.31, 2.78 A)
 &rst
  ixpk= 359, nxpk= 20, iat=1092,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1094,1095,
 &end
#
#    0 AMB  20-2:360      0 AMB  20-1:360    3.00    (#    360:20        Double  0.00, 0.00  )
 &rst
  ixpk= 360, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1=1099,1100,1101,1103,1104,1105,1099,1100,1101,1103,
      1104,1105,1097,
 igr2=1094,1095,1094,1095,1094,1095,
 &end
#
#    0 AMB  20-2:362     24 ASP  HB-         4.00    (#    362:20        Single  0.00, 0.00  )
 &rst
  ixpk= 362, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 425, 426, 410, 411,
 igr2= 376, 377,
 &end
#
#    0 AMB  20-2:363      0 AMB  20-1:363    5.00    (#    363:20        Double  0.00, 0.00  )
 &rst
  ixpk= 363, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.91, r4= 9.41,
 igr1= 361, 362, 388, 389, 477, 478, 585, 586,
 igr2= 376, 377, 616, 617,
 &end
#
#   96 LYS  HG-          96 LYS  HE+         3.00    (#    364:20        Unique  2.14, 3.37 A)
 &rst
  ixpk= 364, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1526,1527,
 igr2=1532,1533,
 &end
#
#   96 LYS  HG-          96 LYS  HE-         4.00    (#    366:20        Unique  2.14, 3.37 A)
 &rst
  ixpk= 366, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1526,1527,
 igr2=1532,1533,
 &end
#
#   38 ASP  HA           38 ASP  HB+         3.00    (#    367:20        Unique  2.38, 2.75 A)
 &rst
  ixpk= 367, nxpk= 20, iat= 614,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 616, 617,
 &end
#
#   35 TYR  HA           38 ASP  HB+         3.00    (#    368:20        Unique  2.35, 3.08 A)
 &rst
  ixpk= 368, nxpk= 20, iat= 562,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 616, 617,
 &end
#
#   37 ASP  HA           37 ASP  HB+         3.00    (#    369:20        Unique  2.24, 2.66 A)
 &rst
  ixpk= 369, nxpk= 20, iat= 602,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 604, 605,
 &end
#
#   25 LYS  HB+          25 LYS  HE+         3.80    (#    371:20        Unique  1.95, 3.92 A)
 &rst
  ixpk= 371, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 388, 389,
 igr2= 397, 398,
 &end
#
#   25 LYS  HG-          25 LYS  HE+         3.00    (#    372:20        Unique  2.01, 3.27 A)
 &rst
  ixpk= 372, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 391, 392,
 igr2= 397, 398,
 &end
#
#    0 AMB  20-2:373      0 AMB  20-1:373    3.00    (#    373:20        Double  0.00, 0.00  )
 &rst
  ixpk= 373, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1529,1530,1523,1524,
 igr2=1532,1533,1532,1533,
 &end
#
#    0 AMB  20-2:377      0 AMB  20-1:377    3.00    (#    377:20        Double  0.00, 0.00  )
 &rst
  ixpk= 377, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=1980,1981,1986,1987, 806, 807,
 igr2=1989,1990,1989,1990, 809, 810,
 &end
#
#  125 LYS  HG+         125 LYS  HE+         3.00    (#    378:20        Unique  2.01, 3.14 A)
 &rst
  ixpk= 378, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1983,1984,
 igr2=1989,1990,
 &end
#
#   58 ILE  QG2          49 LYS  HE+         3.00    (#    379:20        Unique  1.99, 3.71 A)
 &rst
  ixpk= 379, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 964, 965, 966,
 igr2= 809, 810,
 &end
#
#   47 LYS  HD+          47 LYS  HE+         3.00    (#    380:20        Unique  2.22, 2.67 A)
 &rst
  ixpk= 380, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 760, 761,
 igr2= 763, 764,
 &end
#
#   47 LYS  HG+          47 LYS  HE+         3.00    (#    381:20        Unique  1.94, 3.14 A)
 &rst
  ixpk= 381, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 757, 758,
 igr2= 763, 764,
 &end
#
#   50 LYS  HB+          50 LYS  HE+         4.00    (#    383:20        Unique  2.24, 3.48 A)
 &rst
  ixpk= 383, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 822, 823,
 igr2= 831, 832,
 &end
#
#   50 LYS  HD+          50 LYS  HE+         3.00    (#    384:20        Unique  2.22, 2.66 A)
 &rst
  ixpk= 384, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 828, 829,
 igr2= 831, 832,
 &end
#
#   50 LYS  HD-          50 LYS  HE+         3.00    (#    385:20        Unique  2.22, 2.66 A)
 &rst
  ixpk= 385, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 828, 829,
 igr2= 831, 832,
 &end
#
#    0 AMB  20-2:386      0 AMB  20-1:386    3.00    (#    386:20        Double  0.00, 0.00  )
 &rst
  ixpk= 386, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 825, 826, 825, 826,
 igr2= 831, 832, 831, 832,
 &end
#
#   75 LEU  MDY          75 LEU  HB-         3.00    (#    387:20        Unique  2.25, 3.28 A)
 &rst
  ixpk= 387, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1216,1217,1218,1220,1221,1222,
 igr2=1211,1212,
 &end
#
#   75 LEU  HA           75 LEU  HB-         3.00    (#    388:20        Unique  2.40, 2.73 A)
 &rst
  ixpk= 388, nxpk= 20, iat=1209,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1211,1212,
 &end
#
#   75 LEU  HG           75 LEU  HB-         3.00    (#    389:20        Unique  2.40, 2.73 A)
 &rst
  ixpk= 389, nxpk= 20, iat=1214,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1211,1212,
 &end
#
#    0 AMB  20-2:390      0 AMB  20-1:390    3.00    (#    390:20        Double  0.00, 0.00  )
 &rst
  ixpk= 390, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1=1550,1551,1552,1554,1555,1556,1264,1265,
 igr2=1545,1546,1545,1546,
 &end
#
#    0 AMB  20-2:391      0 AMB  20-1:391    5.00    (#    391:20        Double  0.00, 0.00  )
 &rst
  ixpk= 391, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
 igr1=1304,1305,1306,1308,1309,1310,1904,1905,1906,1908,
      1909,1910,
 igr2=1545,1546,1545,1546,
 &end
#
#   75 LEU  HA           75 LEU  HB+         3.00    (#    392:20        Unique  2.40, 2.73 A)
 &rst
  ixpk= 392, nxpk= 20, iat=1209,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1211,1212,
 &end
#
#    0 AMB  20-2:393      0 AMB  20-1:393    3.00    (#    393:20        Double  0.00, 0.00  )
 &rst
  ixpk= 393, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1=1216,1217,1218,1220,1221,1222,1959,1960,
 igr2=1211,1212,1899,1900,
 &end
#
#    0 AMB  20-2:394      0 AMB  20-1:394    3.00    (#    394:20        Double  0.00, 0.00  )
 &rst
  ixpk= 394, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
      1909,1910,
 igr2=1899,1900,1899,1900,
 &end
#
#   97 LEU  HA           97 LEU  HB-         3.50    (#    395:20        Unique  2.44, 2.78 A)
 &rst
  ixpk= 395, nxpk= 20, iat=1543,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1545,1546,
 &end
#
#   97 LEU  HG           97 LEU  HB-         3.00    (#    396:20        Unique  2.22, 2.51 A)
 &rst
  ixpk= 396, nxpk= 20, iat=1548,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1545,1546,
 &end
#
#    0 AMB  20-2:397     97 LEU  HB-         3.00    (#    397:20        Single  0.00, 0.00  )
 &rst
  ixpk= 397, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1550,1551,1552,1554,1555,1556,1264,1265,
 igr2=1545,1546,
 &end
#
#  117 LEU  HA          120 LEU  HB-         4.00    (#    398:20        Unique  2.22, 3.68 A)
 &rst
  ixpk= 398, nxpk= 20, iat=1833,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1899,1900,
 &end
#
#    0 AMB  20-2:399    120 LEU  HB-         3.00    (#    399:20        Single  0.00, 0.00  )
 &rst
  ixpk= 399, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
      1909,1910,
 igr2=1899,1900,
 &end
#
#   49 LYS  HB+          99 ASP  HB+         6.00    (#    400:20        Unique  3.78, 5.89 A)
 &rst
  ixpk= 400, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 800, 801,
 igr2=1575,1576,
 &end
#
#   61 LYS  HB-          61 LYS  HE+         3.50    (#    401:20        Unique  2.29, 2.82 A)
 &rst
  ixpk= 401, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1011,1012,
 igr2=1020,1021,
 &end
#
#   61 LYS  HD+          61 LYS  HE+         3.00    (#    402:20        Unique  2.22, 2.68 A)
 &rst
  ixpk= 402, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1017,1018,
 igr2=1020,1021,
 &end
#
#    0 AMB  20-2:403      0 AMB  20-1:403    3.00    (#    403:20        Double  0.00, 0.00  )
 &rst
  ixpk= 403, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1014,1015,1014,1015,
 igr2=1020,1021,1020,1021,
 &end
#
#   63 VAL  MGY          61 LYS  HE+         4.00    (#    404:20        Unique  3.34, 5.51 A)
 &rst
  ixpk= 404, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1049,1050,1051,1053,1054,1055,
 igr2=1020,1021,
 &end
#
#   61 LYS  HD+          61 LYS  HE-         3.00    (#    405:20        Unique  2.22, 2.68 A)
 &rst
  ixpk= 405, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1017,1018,
 igr2=1020,1021,
 &end
#
#    0 AMB  20-2:406     61 LYS  HE-         4.00    (#    406:20        Single  0.00, 0.00  )
 &rst
  ixpk= 406, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1014,1015,1014,1015,
 igr2=1020,1021,
 &end
#
#   63 VAL  MGY          61 LYS  HE-         5.00    (#    407:20        Unique  3.34, 5.51 A)
 &rst
  ixpk= 407, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1049,1050,1051,1053,1054,1055,
 igr2=1020,1021,
 &end
#
#   61 LYS  HB-          61 LYS  HE-         3.50    (#    408:20        Unique  2.29, 2.82 A)
 &rst
  ixpk= 408, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1011,1012,
 igr2=1020,1021,
 &end
#
#   61 LYS  HB+          61 LYS  HE-         4.00    (#    409:20        Unique  2.29, 2.82 A)
 &rst
  ixpk= 409, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1011,1012,
 igr2=1020,1021,
 &end
#
#    0 AMB  20-2:410      0 AMB  20-1:410    5.00    (#    410:20        Double  0.00, 0.00  )
 &rst
  ixpk= 410, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1395,1396,1499,
 igr2=1359,1360,1281,1282,
 &end
#
#  105 VAL  MGY          44 PHE  HB+         3.00    (#    412:20        Unique  2.37, 5.33 A)
 &rst
  ixpk= 412, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1664,1665,1666,1668,1669,1670,
 igr2= 710, 711,
 &end
#
#   89 ASP  HA           89 ASP  HB+         3.50    (#    413:20        Unique  2.34, 2.76 A)
 &rst
  ixpk= 413, nxpk= 20, iat=1424,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1426,1427,
 &end
#
#   89 ASP  HA           89 ASP  HB-         3.50    (#    414:20        Unique  2.34, 2.76 A)
 &rst
  ixpk= 414, nxpk= 20, iat=1424,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1426,1427,
 &end
#
#   82 VAL  MGX          93 TYR  HB+         6.00    (#    417:20        Unique  2.65, 5.87 A)
 &rst
  ixpk= 417, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1335,1336,1337,1339,1340,1341,
 igr2=1478,1479,
 &end
#
#   82 VAL  MGX          93 TYR  HB-         6.00    (#    418:20        Unique  2.65, 5.87 A)
 &rst
  ixpk= 418, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1335,1336,1337,1339,1340,1341,
 igr2=1478,1479,
 &end
#
#  107 ASP  HA          107 ASP  HB-         3.00    (#    422:20        Unique  2.41, 2.78 A)
 &rst
  ixpk= 422, nxpk= 20, iat=1688,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1690,1691,
 &end
#
#    0 AMB  20-2:423      0 AMB  20-1:423    3.00    (#    423:20        Double  0.00, 0.00  )
 &rst
  ixpk= 423, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 583,1833,
 igr2= 585, 586,1835,1836,
 &end
#
#  114 ALA  HA          117 LEU  HB-         4.00    (#    424:20        Unique  1.98, 3.36 A)
 &rst
  ixpk= 424, nxpk= 20, iat=1787,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1835,1836,
 &end
#
#  117 LEU  MDX         117 LEU  HB-         3.00    (#    425:20        Unique  2.08, 3.26 A)
 &rst
  ixpk= 425, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1840,1841,1842,1844,1845,1846,
 igr2=1835,1836,
 &end
#
#  117 LEU  HG          117 LEU  HB+         3.00    (#    426:20        Unique  2.40, 2.76 A)
 &rst
  ixpk= 426, nxpk= 20, iat=1838,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1835,1836,
 &end
#
#  114 ALA  HA          117 LEU  HB+         4.00    (#    427:20        Unique  1.98, 3.36 A)
 &rst
  ixpk= 427, nxpk= 20, iat=1787,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1835,1836,
 &end
#
#  117 LEU  HA          117 LEU  HB+         3.00    (#    428:20        Unique  2.48, 2.78 A)
 &rst
  ixpk= 428, nxpk= 20, iat=1833,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1835,1836,
 &end
#
#  117 LEU  MDX         117 LEU  HB+         3.00    (#    429:20        Unique  2.08, 3.26 A)
 &rst
  ixpk= 429, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1840,1841,1842,1844,1845,1846,
 igr2=1835,1836,
 &end
#
#    4 VAL  MGX         122 ARG  HD+         3.00    (#    431:20        Unique  2.10, 4.66 A)
 &rst
  ixpk= 431, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=  48,  49,  50,  52,  53,  54,
 igr2=1934,1935,
 &end
#
#   36 LEU  HA           36 LEU  HB+         4.00    (#    433:20        Unique  2.35, 2.75 A)
 &rst
  ixpk= 433, nxpk= 20, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 585, 586,
 &end
#
#   36 LEU  MDX          36 LEU  HB+         3.00    (#    434:20        Unique  1.94, 3.22 A)
 &rst
  ixpk= 434, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 590, 591, 592, 594, 595, 596,
 igr2= 585, 586,
 &end
#
#   36 LEU  MDY          36 LEU  HB+         3.00    (#    435:20        Unique  1.94, 3.22 A)
 &rst
  ixpk= 435, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 590, 591, 592, 594, 595, 596,
 igr2= 585, 586,
 &end
#
#    0 AMB  20-2:436      0 AMB  20-1:436    4.00    (#    436:20        Double  0.00, 0.00  )
 &rst
  ixpk= 436, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr1= 325, 326, 327, 329, 330, 331, 325, 326, 327, 329,
       330, 331,
 igr2= 339, 340, 339, 340,
 &end
#
#   21 ASP  HA           21 ASP  HB+         3.00    (#    437:20        Unique  2.38, 2.75 A)
 &rst
  ixpk= 437, nxpk= 20, iat= 337,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 339, 340,
 &end
#
#   21 ASP  HA           21 ASP  HB-         3.00    (#    438:20        Unique  2.38, 2.75 A)
 &rst
  ixpk= 438, nxpk= 20, iat= 337,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 339, 340,
 &end
#
#    0 AMB  20-2:439     21 ASP  HB-         4.00    (#    439:20        Single  0.00, 0.00  )
 &rst
  ixpk= 439, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 325, 326, 327, 329, 330, 331, 325, 326, 327, 329,
       330, 331,
 igr2= 339, 340,
 &end
#
#   46 GLY  HA+         103 ILE  HB          4.50    (#    440:20        Unique  2.38, 3.85 A)
 &rst
  ixpk= 440, nxpk= 20, iat=  -1,1631, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 745, 746,
 &end
#
#   45 MET  HB-         103 ILE  HB          4.00    (#    441:20        Unique  4.20, 4.52 A)
 &rst
  ixpk= 441, nxpk= 20, iat=  -1,1631, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 730, 731,
 &end
#
#  102 ALA  HA          103 ILE  HB          5.00    (#    442:20        Unique  4.30, 4.45 A)
 &rst
  ixpk= 442, nxpk= 20, iat=1619,1631, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  103 ILE  HA          103 ILE  HB          3.00    (#    443:20        Unique  2.94, 2.99 A)
 &rst
  ixpk= 443, nxpk= 20, iat=1629,1631, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   45 MET  HG-         103 ILE  HB          3.00    (#    444:20        Unique  1.86, 2.42 A)
 &rst
  ixpk= 444, nxpk= 20, iat=  -1,1631, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 733, 734,
 &end
#
#   45 MET  ME          103 ILE  HB          4.00    (#    445:20        Unique  1.91, 3.13 A)
 &rst
  ixpk= 445, nxpk= 20, iat=  -1,1631, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 737, 738, 739,
 &end
#
#  103 ILE  HG1+        103 ILE  HB          3.00    (#    446:20        Unique  2.47, 2.79 A)
 &rst
  ixpk= 446, nxpk= 20, iat=  -1,1631, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1637,1638,
 &end
#
#  103 ILE  QG2         103 ILE  HB          4.00    (#    447:20        Unique  2.29, 2.63 A)
 &rst
  ixpk= 447, nxpk= 20, iat=  -1,1631, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1633,1634,1635,
 &end
#
#  108 ASP  HA          108 ASP  HB-         3.00    (#    448:20        Unique  2.32, 2.81 A)
 &rst
  ixpk= 448, nxpk= 20, iat=1700,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1702,1703,
 &end
#
#   39 THR  MG2         108 ASP  HB-         3.00    (#    449:20        Unique  1.95, 3.61 A)
 &rst
  ixpk= 449, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 630, 631, 632,
 igr2=1702,1703,
 &end
#
#   40 LEU  HA           40 LEU  HB+         3.50    (#    450:20        Unique  2.57, 2.82 A)
 &rst
  ixpk= 450, nxpk= 20, iat= 640,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 642, 643,
 &end
#
#    0 AMB  20-2:451      0 AMB  20-1:451    3.00    (#    451:20        Double  0.00, 0.00  )
 &rst
  ixpk= 451, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 647, 648, 649, 651, 652, 653, 647, 648, 649, 651,
       652, 653,
 igr2= 642, 643, 642, 643,
 &end
#
#    0 AMB  20-2:452     40 LEU  HB-         3.00    (#    452:20        Single  0.00, 0.00  )
 &rst
  ixpk= 452, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 647, 648, 649, 651, 652, 653, 647, 648, 649, 651,
       652, 653,
 igr2= 642, 643,
 &end
#
#   40 LEU  HA           40 LEU  HB-         3.50    (#    453:20        Unique  2.57, 2.82 A)
 &rst
  ixpk= 453, nxpk= 20, iat= 640,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 642, 643,
 &end
#
#    0 AMB  20-2:454     40 LEU  HB-         5.50    (#    454:20        Single  0.00, 0.00  )
 &rst
  ixpk= 454, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1716,1717,1718,1304,1305,1306,1308,1309,1310,
 igr2= 642, 643,
 &end
#
#   35 TYR  HA           35 TYR  HB+         3.00    (#    458:20        Unique  2.24, 2.66 A)
 &rst
  ixpk= 458, nxpk= 20, iat= 562,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 564, 565,
 &end
#
#   18 ILE  QG2          35 TYR  HB-         6.00    (#    459:20        Unique  2.49, 4.65 A)
 &rst
  ixpk= 459, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 287, 288, 289,
 igr2= 564, 565,
 &end
#
#  104 ASP  HA          104 ASP  HB+         3.00    (#    460:20        Unique  2.45, 2.80 A)
 &rst
  ixpk= 460, nxpk= 20, iat=1648,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1650,1651,
 &end
#
#  103 ILE  QG2         104 ASP  HB+         3.00    (#    461:20        Unique  2.29, 3.76 A)
 &rst
  ixpk= 461, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1633,1634,1635,
 igr2=1650,1651,
 &end
#
#    0 AMB  20-2:463      0 AMB  20-1:463    3.00    (#    463:20        Double  0.00, 0.00  )
 &rst
  ixpk= 463, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1648, 602,
 igr2=1650,1651, 676, 677,
 &end
#
#  103 ILE  QG2         104 ASP  HB-         3.00    (#    464:20        Unique  2.29, 3.76 A)
 &rst
  ixpk= 464, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1633,1634,1635,
 igr2=1650,1651,
 &end
#
#  103 ILE  HB          104 ASP  HB-         5.50    (#    465:20        Unique  3.76, 4.89 A)
 &rst
  ixpk= 465, nxpk= 20, iat=1631,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1650,1651,
 &end
#
#   58 ILE  HA           58 ILE  HB          3.00    (#    467:20        Unique  2.96, 2.99 A)
 &rst
  ixpk= 467, nxpk= 20, iat= 960, 962, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   58 ILE  HG1-         58 ILE  HB          3.00    (#    468:20        Unique  2.24, 2.49 A)
 &rst
  ixpk= 468, nxpk= 20, iat=  -1, 962, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 968, 969,
 &end
#
#   58 ILE  HG1+         58 ILE  HB          3.00    (#    469:20        Unique  2.24, 2.49 A)
 &rst
  ixpk= 469, nxpk= 20, iat=  -1, 962, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 968, 969,
 &end
#
#   58 ILE  QG2          58 ILE  HB          3.00    (#    470:20        Unique  2.26, 2.63 A)
 &rst
  ixpk= 470, nxpk= 20, iat=  -1, 962, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 964, 965, 966,
 &end
#
#    0 AMB  20-2:471     58 ILE  HB          6.00    (#    471:20        Single  0.00, 0.00  )
 &rst
  ixpk= 471, nxpk= 20, iat=  -1, 962, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 803, 804, 822, 823,
 &end
#
#  100 ILE  HG1-        100 ILE  HB          3.00    (#    473:20        Unique  2.24, 2.72 A)
 &rst
  ixpk= 473, nxpk= 20, iat=  -1,1587, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1593,1594,
 &end
#
#    0 AMB  20-2:474    100 ILE  HB          3.00    (#    474:20        Single  0.00, 0.00  )
 &rst
  ixpk= 474, nxpk= 20, iat=  -1,1587, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1=1550,1551,1552,1554,1555,1556,1840,1841,1842,1844,
      1845,1846,1545,1546,
 &end
#
#  100 ILE  HG1+        100 ILE  HB          3.00    (#    476:20        Unique  2.24, 2.72 A)
 &rst
  ixpk= 476, nxpk= 20, iat=  -1,1587, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1593,1594,
 &end
#
#  100 ILE  QG2         100 ILE  HB          3.00    (#    477:20        Unique  2.38, 2.63 A)
 &rst
  ixpk= 477, nxpk= 20, iat=  -1,1587, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1589,1590,1591,
 &end
#
#    0 AMB  20-2:478    100 ILE  HB          4.00    (#    478:20        Single  0.00, 0.00  )
 &rst
  ixpk= 478, nxpk= 20, iat=  -1,1587, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1049,1050,1051,1053,1054,1055,1304,1305,1306,1308,
      1309,1310,
 &end
#
#   14 ILE  HA           14 ILE  HB          3.50    (#    479:20        Unique  2.69, 2.81 A)
 &rst
  ixpk= 479, nxpk= 20, iat= 220, 222, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   14 ILE  QD1          14 ILE  HB          3.80    (#    480:20        Unique  2.38, 3.24 A)
 &rst
  ixpk= 480, nxpk= 20, iat=  -1, 222, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1= 231, 232, 233,
 &end
#
#   14 ILE  QG2          14 ILE  HB          3.00    (#    481:20        Unique  2.32, 2.63 A)
 &rst
  ixpk= 481, nxpk= 20, iat=  -1, 222, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 224, 225, 226,
 &end
#
#   11 GLU  HA           14 ILE  HB          4.00    (#    482:20        Unique  3.50, 4.19 A)
 &rst
  ixpk= 482, nxpk= 20, iat= 164, 222, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   71 ASP  HA           71 ASP  HB+         3.00    (#    483:20        Unique  2.35, 2.56 A)
 &rst
  ixpk= 483, nxpk= 20, iat=1159,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1161,1162,
 &end
#
#   71 ASP  HA           71 ASP  HB-         3.00    (#    484:20        Unique  2.35, 2.56 A)
 &rst
  ixpk= 484, nxpk= 20, iat=1159,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1161,1162,
 &end
#
#  113 ILE  QG2         113 ILE  HB          3.00    (#    485:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 485, nxpk= 20, iat=  -1,1770, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1772,1773,1774,
 &end
#
#  113 ILE  HG1-        113 ILE  HB          3.00    (#    486:20        Unique  2.66, 2.84 A)
 &rst
  ixpk= 486, nxpk= 20, iat=  -1,1770, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1776,1777,
 &end
#
#  113 ILE  QD1         113 ILE  HB          3.00    (#    487:20        Unique  2.03, 2.89 A)
 &rst
  ixpk= 487, nxpk= 20, iat=  -1,1770, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1779,1780,1781,
 &end
#
#   85 ILE  HA           85 ILE  HB          3.00    (#    488:20        Unique  2.48, 2.50 A)
 &rst
  ixpk= 488, nxpk= 20, iat=1369,1371, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   85 ILE  HG1-         85 ILE  HB          3.00    (#    489:20        Unique  2.47, 2.76 A)
 &rst
  ixpk= 489, nxpk= 20, iat=  -1,1371, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1377,1378,
 &end
#
#   85 ILE  HG1+         85 ILE  HB          3.00    (#    490:20        Unique  2.47, 2.76 A)
 &rst
  ixpk= 490, nxpk= 20, iat=  -1,1371, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1377,1378,
 &end
#
#   85 ILE  QG2          85 ILE  HB          3.00    (#    491:20        Unique  2.23, 2.63 A)
 &rst
  ixpk= 491, nxpk= 20, iat=  -1,1371, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1373,1374,1375,
 &end
#
#   14 ILE  HA           18 ILE  HB          5.00    (#    492:20        Unique  2.94, 3.68 A)
 &rst
  ixpk= 492, nxpk= 20, iat= 220, 285, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   18 ILE  HG1+         18 ILE  HB          4.50    (#    493:20        Unique  2.31, 2.71 A)
 &rst
  ixpk= 493, nxpk= 20, iat=  -1, 285, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 291, 292,
 &end
#
#   18 ILE  QD1          18 ILE  HB          4.50    (#    494:20        Unique  2.35, 3.23 A)
 &rst
  ixpk= 494, nxpk= 20, iat=  -1, 285, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 294, 295, 296,
 &end
#
#   18 ILE  HG1-         18 ILE  HB          4.50    (#    495:20        Unique  2.31, 2.71 A)
 &rst
  ixpk= 495, nxpk= 20, iat=  -1, 285, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 291, 292,
 &end
#
#   18 ILE  QG2          18 ILE  HB          4.50    (#    496:20        Unique  2.26, 2.63 A)
 &rst
  ixpk= 496, nxpk= 20, iat=  -1, 285, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 287, 288, 289,
 &end
#
#   34 TYR  HA           34 TYR  HB+         3.00    (#    497:20        Unique  2.64, 2.82 A)
 &rst
  ixpk= 497, nxpk= 20, iat= 541,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 543, 544,
 &end
#
#   34 TYR  HA           34 TYR  HB-         3.50    (#    498:20        Unique  2.64, 2.82 A)
 &rst
  ixpk= 498, nxpk= 20, iat= 541,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 543, 544,
 &end
#
#   25 LYS  HG-          26 GLU  HG+         4.20    (#    499:20        Unique  2.09, 3.53 A)
 &rst
  ixpk= 499, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 391, 392,
 igr2= 413, 414,
 &end
#
#   19 ILE  QG2          19 ILE  HB          3.00    (#    500:20        Unique  2.27, 2.63 A)
 &rst
  ixpk= 500, nxpk= 20, iat=  -1, 304, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 306, 307, 308,
 &end
#
#   26 GLU  HA           26 GLU  HG+         3.00    (#    502:20        Unique  2.20, 2.84 A)
 &rst
  ixpk= 502, nxpk= 20, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 413, 414,
 &end
#
#   19 ILE  HG1-         19 ILE  HB          3.00    (#    503:20        Unique  2.25, 2.60 A)
 &rst
  ixpk= 503, nxpk= 20, iat=  -1, 304, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 310, 311,
 &end
#
#   22 ALA  MB           19 ILE  HB          3.00    (#    504:20        Unique  1.96, 3.00 A)
 &rst
  ixpk= 504, nxpk= 20, iat=  -1, 304, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 351, 352, 353,
 &end
#
#    0 AMB  20-2:506      0 AMB  20-1:506    4.00    (#    506:20        Double  0.00, 0.00  )
 &rst
  ixpk= 506, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 803, 804, 822, 823,
 igr2= 999,1000, 999,1000,
 &end
#
#   47 LYS  HE+          60 GLU  HG-         5.80    (#    508:20        Unique  3.83, 6.36 A)
 &rst
  ixpk= 508, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
 igr1= 763, 764,
 igr2= 999,1000,
 &end
#
#    0 AMB  20-2:509     60 GLU  HG-         5.00    (#    509:20        Single  0.00, 0.00  )
 &rst
  ixpk= 509, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 803, 804, 822, 823,
 igr2= 999,1000,
 &end
#
#   22 ALA  MB           27 GLU  HG-         5.00    (#    510:20        Unique  4.16, 5.32 A)
 &rst
  ixpk= 510, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 351, 352, 353,
 igr2= 428, 429,
 &end
#
#   27 GLU  HA           27 GLU  HG-         3.50    (#    511:20        Unique  3.16, 3.50 A)
 &rst
  ixpk= 511, nxpk= 20, iat= 423,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 428, 429,
 &end
#
#   26 GLU  HB-          27 GLU  HG-         4.00    (#    512:20        Unique  3.27, 4.79 A)
 &rst
  ixpk= 512, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 410, 411,
 igr2= 428, 429,
 &end
#
#   64 GLU  HB-          64 GLU  HG+         3.00    (#    513:20        Unique  2.21, 2.69 A)
 &rst
  ixpk= 513, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1063,1064,
 igr2=1066,1067,
 &end
#
#    0 AMB  20-2:514      0 AMB  20-1:514    3.00    (#    514:20        Double  0.00, 0.00  )
 &rst
  ixpk= 514, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1=1099,1100,1101,1103,1104,1105,1099,1100,1101,1103,
      1104,1105,
 igr2=1066,1067,1066,1067,
 &end
#
#    0 AMB  20-2:515      0 AMB  20-1:515    3.00    (#    515:20        Double  0.00, 0.00  )
 &rst
  ixpk= 515, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 964, 965, 966,1099,1100,1101,1103,1104,1105,1099,
      1100,1101,1103,1104,1105,
 igr2= 999,1000,1066,1067,
 &end
#
#   69 ALA  HA           81 GLU  HG+         4.00    (#    518:20        Unique  2.32, 3.60 A)
 &rst
  ixpk= 518, nxpk= 20, iat=1135,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1321,1322,
 &end
#
#   70 PRO  HD-          81 GLU  HG+         5.50    (#    519:20        Unique  3.64, 4.92 A)
 &rst
  ixpk= 519, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1144,1145,
 igr2=1321,1322,
 &end
#
#   69 ALA  HA           81 GLU  HG-         4.00    (#    520:20        Unique  2.32, 3.60 A)
 &rst
  ixpk= 520, nxpk= 20, iat=1135,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1321,1322,
 &end
#
#    0 AMB  20-2:521     81 GLU  HG-         5.00    (#    521:20        Single  0.00, 0.00  )
 &rst
  ixpk= 521, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1464,1465,1466,1468,1469,1470,1464,1465,1466,1468,
      1469,1470,
 igr2=1321,1322,
 &end
#
#   69 ALA  MB           81 GLU  HG-         4.50    (#    522:20        Unique  2.02, 4.56 A)
 &rst
  ixpk= 522, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1137,1138,1139,
 igr2=1321,1322,
 &end
#
#    0 AMB  20-2:523      0 AMB  20-1:523    7.00    (#    523:20        Double  0.00, 0.00  )
 &rst
  ixpk= 523, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.11, r4=11.61,
 igr1= 224, 225, 226, 285,
 igr2= 244, 245, 244, 245,
 &end
#
#   15 GLU  HA           15 GLU  HG+         3.80    (#    525:20        Unique  2.80, 3.30 A)
 &rst
  ixpk= 525, nxpk= 20, iat= 239,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2= 244, 245,
 &end
#
#   15 GLU  HB-          15 GLU  HG+         3.00    (#    526:20        Unique  2.28, 2.72 A)
 &rst
  ixpk= 526, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 241, 242,
 igr2= 244, 245,
 &end
#
#   16 THR  MG2          15 GLU  HG+         4.00    (#    527:20        Unique  1.98, 3.19 A)
 &rst
  ixpk= 527, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 258, 259, 260,
 igr2= 244, 245,
 &end
#
#    4 VAL  HA            5 GLU  HG-         6.00    (#    528:20        Unique  4.59, 5.75 A)
 &rst
  ixpk= 528, nxpk= 20, iat=  44,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  65,  66,
 &end
#
#    5 GLU  HA            5 GLU  HG-         5.00    (#    529:20        Unique  2.39, 3.72 A)
 &rst
  ixpk= 529, nxpk= 20, iat=  60,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  65,  66,
 &end
#
#    5 GLU  HB+           5 GLU  HG-         5.00    (#    530:20        Unique  2.21, 2.67 A)
 &rst
  ixpk= 530, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=  62,  63,
 igr2=  65,  66,
 &end
#
#    5 GLU  HB-           5 GLU  HG-         5.00    (#    531:20        Unique  2.21, 2.67 A)
 &rst
  ixpk= 531, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=  62,  63,
 igr2=  65,  66,
 &end
#
#    5 GLU  HA            5 GLU  HG+         5.00    (#    532:20        Unique  2.39, 3.72 A)
 &rst
  ixpk= 532, nxpk= 20, iat=  60,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  65,  66,
 &end
#
#    3 SER  HB+           5 GLU  HG+         7.00    (#    533:20        Unique  3.75, 6.05 A)
 &rst
  ixpk= 533, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=  35,  36,
 igr2=  65,  66,
 &end
#
#    0 AMB  20-2:534      0 AMB  20-1:534    3.00    (#    534:20        Double  0.00, 0.00  )
 &rst
  ixpk= 534, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 359, 337,
 igr2= 364, 365, 364, 365,
 &end
#
#    0 AMB  20-2:536      0 AMB  20-1:536    5.00    (#    536:20        Double  0.00, 0.00  )
 &rst
  ixpk= 536, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 359, 268,
 igr2= 364, 365, 273, 274,
 &end
#
#   63 VAL  MGY          63 VAL  HB          3.00    (#    537:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 537, nxpk= 20, iat=  -1,1047, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1049,1050,1051,1053,1054,1055,
 &end
#
#   63 VAL  MGX          63 VAL  HB          3.00    (#    538:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 538, nxpk= 20, iat=  -1,1047, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1049,1050,1051,1053,1054,1055,
 &end
#
#   73 GLU  HA           73 GLU  HG-         4.00    (#    539:20        Unique  2.05, 3.11 A)
 &rst
  ixpk= 539, nxpk= 20, iat=1183,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1188,1189,
 &end
#
#    0 AMB  20-2:540      0 AMB  20-1:540    5.00    (#    540:20        Double  0.00, 0.00  )
 &rst
  ixpk= 540, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
 igr1= 198, 199, 877, 878, 270, 271,
 igr2= 273, 274, 984, 985, 273, 274,
 &end
#
#    0 AMB  20-2:541      0 AMB  20-1:541    6.00    (#    541:20        Double  0.00, 0.00  )
 &rst
  ixpk= 541, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1=1137,1138,1139, 925, 926, 927,
 igr2=1188,1189, 984, 985,
 &end
#
#   17 GLU  HA           17 GLU  HG+         5.00    (#    542:20        Unique  2.77, 3.33 A)
 &rst
  ixpk= 542, nxpk= 20, iat= 268,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 273, 274,
 &end
#
#   59 GLU  HA           59 GLU  HG-         3.00    (#    544:20        Unique  2.24, 2.99 A)
 &rst
  ixpk= 544, nxpk= 20, iat= 979,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 984, 985,
 &end
#
#   53 ARG  HB-          59 GLU  HG-         4.20    (#    545:20        Unique  1.98, 5.37 A)
 &rst
  ixpk= 545, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 877, 878,
 igr2= 984, 985,
 &end
#
#   66 LEU  MDX          43 PRO  HB+         4.00    (#    546:20        Unique  3.05, 5.83 A)
 &rst
  ixpk= 546, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1099,1100,1101,1103,1104,1105,
 igr2= 699, 700,
 &end
#
#   43 PRO  HD+          43 PRO  HB+         4.50    (#    547:20        Unique  2.98, 3.70 A)
 &rst
  ixpk= 547, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 693, 694,
 igr2= 699, 700,
 &end
#
#   41 GLU  HB-          41 GLU  HG+         3.00    (#    549:20        Unique  2.21, 2.70 A)
 &rst
  ixpk= 549, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 661, 662,
 igr2= 664, 665,
 &end
#
#   63 VAL  MGY          61 LYS  HB-         3.00    (#    553:20        Unique  2.95, 5.23 A)
 &rst
  ixpk= 553, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1049,1050,1051,1053,1054,1055,
 igr2=1011,1012,
 &end
#
#  125 LYS  HG+         125 LYS  HB+         3.00    (#    554:20        Unique  2.21, 2.63 A)
 &rst
  ixpk= 554, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1983,1984,
 igr2=1980,1981,
 &end
#
#  125 LYS  HG+         125 LYS  HB-         3.00    (#    556:20        Unique  2.21, 2.63 A)
 &rst
  ixpk= 556, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1983,1984,
 igr2=1980,1981,
 &end
#
#   48 TRP  HB+          61 LYS  HB-         3.50    (#    557:20        Unique  1.91, 2.86 A)
 &rst
  ixpk= 557, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 776, 777,
 igr2=1011,1012,
 &end
#
#   61 LYS  HE-          61 LYS  HB-         3.50    (#    558:20        Unique  2.29, 2.82 A)
 &rst
  ixpk= 558, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1020,1021,
 igr2=1011,1012,
 &end
#
#   61 LYS  HD+          61 LYS  HB-         3.00    (#    559:20        Unique  2.34, 3.34 A)
 &rst
  ixpk= 559, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1017,1018,
 igr2=1011,1012,
 &end
#
#    0 AMB  20-2:560     61 LYS  HB-         3.00    (#    560:20        Single  0.00, 0.00  )
 &rst
  ixpk= 560, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1014,1015,1014,1015,
 igr2=1011,1012,
 &end
#
#   84 ASP  HB-          61 LYS  HB-         7.50    (#    561:20        Unique  5.49, 7.00 A)
 &rst
  ixpk= 561, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.45, r4= 9.95,
 igr1=1359,1360,
 igr2=1011,1012,
 &end
#
#   48 TRP  HB+          61 LYS  HB+         4.00    (#    562:20        Unique  1.91, 2.86 A)
 &rst
  ixpk= 562, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 776, 777,
 igr2=1011,1012,
 &end
#
#   61 LYS  HE-          61 LYS  HB+         4.00    (#    563:20        Unique  2.29, 2.82 A)
 &rst
  ixpk= 563, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1020,1021,
 igr2=1011,1012,
 &end
#
#   48 TRP  HB-          61 LYS  HB+         3.50    (#    564:20        Unique  1.91, 2.86 A)
 &rst
  ixpk= 564, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 776, 777,
 igr2=1011,1012,
 &end
#
#    0 AMB  20-2:565      0 AMB  20-1:565    3.00    (#    565:20        Double  0.00, 0.00  )
 &rst
  ixpk= 565, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1014,1015,1014,1015,
 igr2=1011,1012,1011,1012,
 &end
#
#   63 VAL  MGY          61 LYS  HB+         4.50    (#    566:20        Unique  2.95, 5.23 A)
 &rst
  ixpk= 566, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1049,1050,1051,1053,1054,1055,
 igr2=1011,1012,
 &end
#
#    8 GLU  HA            8 GLU  HG+         3.80    (#    568:20        Unique  2.61, 3.15 A)
 &rst
  ixpk= 568, nxpk= 20, iat= 111,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2= 116, 117,
 &end
#
#    8 GLU  HB-           8 GLU  HG+         3.00    (#    569:20        Unique  2.21, 2.69 A)
 &rst
  ixpk= 569, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 113, 114,
 igr2= 116, 117,
 &end
#
#   63 VAL  MGY          82 VAL  HB          4.00    (#    570:20        Unique  2.00, 4.44 A)
 &rst
  ixpk= 570, nxpk= 20, iat=  -1,1333, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1049,1050,1051,1053,1054,1055,
 &end
#
#    8 GLU  HB-          11 GLU  HG+         6.00    (#    571:20        Unique  4.33, 6.39 A)
 &rst
  ixpk= 571, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 113, 114,
 igr2= 169, 170,
 &end
#
#    8 GLU  HA           11 GLU  HG-         4.00    (#    572:20        Unique  3.05, 4.36 A)
 &rst
  ixpk= 572, nxpk= 20, iat= 111,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 169, 170,
 &end
#
#    0 AMB  20-2:573     82 VAL  HB          3.00    (#    573:20        Single  0.00, 0.00  )
 &rst
  ixpk= 573, nxpk= 20, iat=  -1,1333, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1335,1336,1337,1339,1340,1341,1080,1081,1082,1084,
      1085,1086,
 &end
#
#   82 VAL  MGX          82 VAL  HB          3.00    (#    574:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 574, nxpk= 20, iat=  -1,1333, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1335,1336,1337,1339,1340,1341,
 &end
#
#   78 MET  HG-          78 MET  HB+         3.00    (#    575:20        Unique  2.27, 2.57 A)
 &rst
  ixpk= 575, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1267,1268,
 igr2=1264,1265,
 &end
#
#   76 LYS  HG+          76 LYS  HB+         3.00    (#    577:20        Unique  2.21, 2.67 A)
 &rst
  ixpk= 577, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1233,1234,
 igr2=1230,1231,
 &end
#
#   80 VAL  MGX          80 VAL  HB          3.00    (#    579:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 579, nxpk= 20, iat=  -1,1302, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1304,1305,1306,1308,1309,1310,
 &end
#
#  109 THR  HB          105 VAL  HB          4.30    (#    580:20        Unique  1.96, 2.17 A)
 &rst
  ixpk= 580, nxpk= 20, iat=1714,1662, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  105 VAL  MGY         105 VAL  HB          3.00    (#    581:20        Unique  2.27, 2.63 A)
 &rst
  ixpk= 581, nxpk= 20, iat=  -1,1662, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1664,1665,1666,1668,1669,1670,
 &end
#
#   47 LYS  HE+          47 LYS  HB+         4.70    (#    582:20        Unique  2.79, 4.20 A)
 &rst
  ixpk= 582, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1= 763, 764,
 igr2= 754, 755,
 &end
#
#  101 GLU  HB+          47 LYS  HB-         3.00    (#    584:20        Unique  1.82, 2.79 A)
 &rst
  ixpk= 584, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1606,1607,
 igr2= 754, 755,
 &end
#
#   47 LYS  HG+          47 LYS  HB-         3.00    (#    585:20        Unique  2.30, 2.56 A)
 &rst
  ixpk= 585, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 757, 758,
 igr2= 754, 755,
 &end
#
#    4 VAL  HA            4 VAL  HB          3.00    (#    588:20        Unique  2.44, 2.87 A)
 &rst
  ixpk= 588, nxpk= 20, iat=  44,  46, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:589      4 VAL  HB          4.00    (#    589:20        Single  0.00, 0.00  )
 &rst
  ixpk= 589, nxpk= 20, iat=  -1,  46, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=  25,  26,  27,1918,1919,1920,
 &end
#
#    4 VAL  MGY           4 VAL  HB          3.00    (#    590:20        Unique  2.24, 2.63 A)
 &rst
  ixpk= 590, nxpk= 20, iat=  -1,  46, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=  48,  49,  50,  52,  53,  54,
 &end
#
#    0 AMB  20-2:591     92 VAL  HB          3.00    (#    591:20        Single  0.00, 0.00  )
 &rst
  ixpk= 591, nxpk= 20, iat=  -1,1462, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1464,1465,1466,1468,1469,1470,1464,1465,1466,1468,
      1469,1470,
 &end
#
#   30 MET  ME           30 MET  HB+         4.00    (#    592:20        Unique  3.72, 4.57 A)
 &rst
  ixpk= 592, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 481, 482, 483,
 igr2= 474, 475,
 &end
#
#   30 MET  HA           30 MET  HB-         3.50    (#    593:20        Unique  2.40, 2.73 A)
 &rst
  ixpk= 593, nxpk= 20, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 474, 475,
 &end
#
#  110 GLN  HA          110 GLN  HG+         3.00    (#    594:20        Unique  2.24, 3.16 A)
 &rst
  ixpk= 594, nxpk= 20, iat=1726,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1731,1732,
 &end
#
#  110 GLN  HB+         110 GLN  HG+         3.50    (#    595:20        Unique  2.23, 2.56 A)
 &rst
  ixpk= 595, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1728,1729,
 igr2=1731,1732,
 &end
#
#  102 ALA  MB          110 GLN  HG+         5.00    (#    596:20        Unique  1.97, 4.17 A)
 &rst
  ixpk= 596, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1621,1622,1623,
 igr2=1731,1732,
 &end
#
#  105 VAL  MGX         110 GLN  HG+         4.00    (#    597:20        Unique  2.65, 5.34 A)
 &rst
  ixpk= 597, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1664,1665,1666,1668,1669,1670,
 igr2=1731,1732,
 &end
#
#    0 AMB  20-2:598      0 AMB  20-1:598    5.00    (#    598:20        Double  0.00, 0.00  )
 &rst
  ixpk= 598, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1688,1629,
 igr2=1731,1732,1731,1732,
 &end
#
#   50 LYS  HA           50 LYS  HB+         3.00    (#    600:20        Unique  2.46, 2.78 A)
 &rst
  ixpk= 600, nxpk= 20, iat= 820,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 822, 823,
 &end
#
#   50 LYS  HA           50 LYS  HB-         3.00    (#    601:20        Unique  2.46, 2.78 A)
 &rst
  ixpk= 601, nxpk= 20, iat= 820,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 822, 823,
 &end
#
#   30 MET  HG+          30 MET  HB+         3.00    (#    602:20        Unique  2.38, 2.57 A)
 &rst
  ixpk= 602, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 477, 478,
 igr2= 474, 475,
 &end
#
#   30 MET  HG-          30 MET  HB+         3.00    (#    603:20        Unique  2.38, 2.57 A)
 &rst
  ixpk= 603, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 477, 478,
 igr2= 474, 475,
 &end
#
#   30 MET  HG+          30 MET  HB-         3.00    (#    604:20        Unique  2.38, 2.57 A)
 &rst
  ixpk= 604, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 477, 478,
 igr2= 474, 475,
 &end
#
#   30 MET  HG-          30 MET  HB-         4.00    (#    605:20        Unique  2.38, 2.57 A)
 &rst
  ixpk= 605, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 477, 478,
 igr2= 474, 475,
 &end
#
#   30 MET  ME           30 MET  HB-         4.00    (#    606:20        Unique  3.72, 4.57 A)
 &rst
  ixpk= 606, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 481, 482, 483,
 igr2= 474, 475,
 &end
#
#   50 LYS  HE+          50 LYS  HB+         4.00    (#    607:20        Unique  2.24, 3.48 A)
 &rst
  ixpk= 607, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 831, 832,
 igr2= 822, 823,
 &end
#
#   85 ILE  QD1          45 MET  HB-         4.00    (#    609:20        Unique  2.25, 3.83 A)
 &rst
  ixpk= 609, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1380,1381,1382,
 igr2= 730, 731,
 &end
#
#   45 MET  HG+          45 MET  HB-         3.00    (#    610:20        Unique  2.21, 2.68 A)
 &rst
  ixpk= 610, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 733, 734,
 igr2= 730, 731,
 &end
#
#   54 LYS  HA           54 LYS  HB+         3.00    (#    612:20        Unique  2.33, 2.74 A)
 &rst
  ixpk= 612, nxpk= 20, iat= 899,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 901, 902,
 &end
#
#   55 THR  MG2          54 LYS  HB+         6.00    (#    613:20        Unique  3.31, 5.13 A)
 &rst
  ixpk= 613, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 925, 926, 927,
 igr2= 901, 902,
 &end
#
#   51 LYS  HG+          51 LYS  HB+         3.00    (#    614:20        Unique  2.21, 2.65 A)
 &rst
  ixpk= 614, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 847, 848,
 igr2= 844, 845,
 &end
#
#   51 LYS  HA           51 LYS  HB-         3.00    (#    615:20        Unique  2.29, 2.81 A)
 &rst
  ixpk= 615, nxpk= 20, iat= 842,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 844, 845,
 &end
#
#   51 LYS  HG+          51 LYS  HB-         3.00    (#    616:20        Unique  2.21, 2.65 A)
 &rst
  ixpk= 616, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 847, 848,
 igr2= 844, 845,
 &end
#
#    0 AMB  20-2:617     51 LYS  HB-         5.50    (#    617:20        Single  0.00, 0.00  )
 &rst
  ixpk= 617, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 937, 938, 820,
 igr2= 844, 845,
 &end
#
#   45 MET  HG-          45 MET  HB-         3.00    (#    621:20        Unique  2.21, 2.68 A)
 &rst
  ixpk= 621, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 733, 734,
 igr2= 730, 731,
 &end
#
#   45 MET  HG+          45 MET  HB+         3.00    (#    622:20        Unique  2.21, 2.68 A)
 &rst
  ixpk= 622, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 733, 734,
 igr2= 730, 731,
 &end
#
#   45 MET  HG-          45 MET  HB+         3.00    (#    623:20        Unique  2.21, 2.68 A)
 &rst
  ixpk= 623, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 733, 734,
 igr2= 730, 731,
 &end
#
#   88 LYS  HA           88 LYS  HB+         3.50    (#    628:20        Unique  2.28, 2.65 A)
 &rst
  ixpk= 628, nxpk= 20, iat=1402,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1404,1405,
 &end
#
#   88 LYS  HE+          88 LYS  HB+         4.50    (#    629:20        Unique  2.00, 3.52 A)
 &rst
  ixpk= 629, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1413,1414,
 igr2=1404,1405,
 &end
#
#   88 LYS  HG+          88 LYS  HB+         3.50    (#    631:20        Unique  2.22, 2.60 A)
 &rst
  ixpk= 631, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1407,1408,
 igr2=1404,1405,
 &end
#
#    0 AMB  20-2:632      0 AMB  20-1:632    3.50    (#    632:20        Double  0.00, 0.00  )
 &rst
  ixpk= 632, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 904, 905,1407,1408,
 igr2= 901, 902,1404,1405,
 &end
#
#   84 ASP  HB+          88 LYS  HB-         5.50    (#    633:20        Unique  3.40, 5.16 A)
 &rst
  ixpk= 633, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1359,1360,
 igr2=1404,1405,
 &end
#
#   88 LYS  HA           88 LYS  HB-         3.50    (#    635:20        Unique  2.28, 2.65 A)
 &rst
  ixpk= 635, nxpk= 20, iat=1402,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1404,1405,
 &end
#
#   45 MET  HB-          45 MET  HG+         3.00    (#    637:20        Unique  2.21, 2.68 A)
 &rst
  ixpk= 637, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 730, 731,
 igr2= 733, 734,
 &end
#
#    0 AMB  20-2:638      0 AMB  20-1:638    3.00    (#    638:20        Double  0.00, 0.00  )
 &rst
  ixpk= 638, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 730, 731, 737, 738, 739,
 igr2= 733, 734, 733, 734,
 &end
#
#  103 ILE  HB           45 MET  HG+         3.00    (#    639:20        Unique  1.86, 2.42 A)
 &rst
  ixpk= 639, nxpk= 20, iat=1631,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 733, 734,
 &end
#
#    0 AMB  20-2:640      0 AMB  20-1:640    4.00    (#    640:20        Double  0.00, 0.00  )
 &rst
  ixpk= 640, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr1=1035,1036,1037,1377,1378,
 igr2= 733, 734, 733, 734,
 &end
#
#   85 ILE  QD1          45 MET  HG+         4.00    (#    641:20        Unique  4.46, 5.29 A)
 &rst
  ixpk= 641, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1380,1381,1382,
 igr2= 733, 734,
 &end
#
#  103 ILE  HB           45 MET  HG-         3.00    (#    642:20        Unique  1.86, 2.42 A)
 &rst
  ixpk= 642, nxpk= 20, iat=1631,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 733, 734,
 &end
#
#   44 PHE  HB-          45 MET  HG-         7.50    (#    643:20        Unique  5.25, 6.48 A)
 &rst
  ixpk= 643, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.45, r4= 9.95,
 igr1= 710, 711,
 igr2= 733, 734,
 &end
#
#   45 MET  HB-          45 MET  HG-         3.00    (#    644:20        Unique  2.21, 2.68 A)
 &rst
  ixpk= 644, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 730, 731,
 igr2= 733, 734,
 &end
#
#    0 AMB  20-2:645     45 MET  HG-         3.00    (#    645:20        Single  0.00, 0.00  )
 &rst
  ixpk= 645, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 730, 731, 737, 738, 739,
 igr2= 733, 734,
 &end
#
#   85 ILE  QD1          45 MET  HG-         4.00    (#    646:20        Unique  4.46, 5.29 A)
 &rst
  ixpk= 646, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1380,1381,1382,
 igr2= 733, 734,
 &end
#
#   23 GLU  HA           23 GLU  HB-         3.00    (#    650:20        Unique  2.39, 2.73 A)
 &rst
  ixpk= 650, nxpk= 20, iat= 359,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 361, 362,
 &end
#
#   49 LYS  HA           49 LYS  HB-         3.00    (#    652:20        Unique  2.30, 2.67 A)
 &rst
  ixpk= 652, nxpk= 20, iat= 798,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 800, 801,
 &end
#
#   70 PRO  HA           70 PRO  HB+         3.00    (#    653:20        Unique  2.30, 2.51 A)
 &rst
  ixpk= 653, nxpk= 20, iat=1153,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1150,1151,
 &end
#
#   23 GLU  HG+          23 GLU  HB+         3.00    (#    655:20        Unique  2.21, 2.68 A)
 &rst
  ixpk= 655, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 364, 365,
 igr2= 361, 362,
 &end
#
#   78 MET  HB-          78 MET  HG+         3.00    (#    656:20        Unique  2.27, 2.57 A)
 &rst
  ixpk= 656, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1264,1265,
 igr2=1267,1268,
 &end
#
#   78 MET  HB-          78 MET  HG-         3.00    (#    657:20        Unique  2.27, 2.57 A)
 &rst
  ixpk= 657, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1264,1265,
 igr2=1267,1268,
 &end
#
#    0 AMB  20-2:663      0 AMB  20-1:663    3.50    (#    663:20        Double  0.00, 0.00  )
 &rst
  ixpk= 663, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1099,1100,1101,1103,1104,1105,1099,1100,1101,1103,
      1104,1105,1550,1551,1552,1554,1555,1556,
 igr2=1063,1064,1063,1064,1123,1124,
 &end
#
#    0 AMB  20-2:664     64 GLU  HB-         4.00    (#    664:20        Single  0.00, 0.00  )
 &rst
  ixpk= 664, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=1099,1100,1101,1103,1104,1105,1099,1100,1101,1103,
      1104,1105,
 igr2=1063,1064,
 &end
#
#   85 ILE  QD1          64 GLU  HB-         4.00    (#    665:20        Unique  2.72, 4.43 A)
 &rst
  ixpk= 665, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1380,1381,1382,
 igr2=1063,1064,
 &end
#
#   49 LYS  HE+         101 GLU  HB+         5.50    (#    668:20        Unique  3.32, 5.00 A)
 &rst
  ixpk= 668, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 809, 810,
 igr2=1606,1607,
 &end
#
#   49 LYS  HE+         101 GLU  HB-         4.00    (#    669:20        Unique  3.32, 5.00 A)
 &rst
  ixpk= 669, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 809, 810,
 igr2=1606,1607,
 &end
#
#   47 LYS  HE+          60 GLU  HB+         5.00    (#    671:20        Unique  1.93, 5.20 A)
 &rst
  ixpk= 671, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 763, 764,
 igr2= 996, 997,
 &end
#
#   47 LYS  HG+          60 GLU  HB+         3.50    (#    672:20        Unique  1.84, 3.26 A)
 &rst
  ixpk= 672, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 757, 758,
 igr2= 996, 997,
 &end
#
#   59 GLU  HA           59 GLU  HB+         3.00    (#    674:20        Unique  2.57, 2.82 A)
 &rst
  ixpk= 674, nxpk= 20, iat= 979,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 981, 982,
 &end
#
#   59 GLU  HA           59 GLU  HB-         3.00    (#    675:20        Unique  2.57, 2.82 A)
 &rst
  ixpk= 675, nxpk= 20, iat= 979,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 981, 982,
 &end
#
#   63 VAL  MGX          48 TRP  HB+         4.00    (#    677:20        Unique  2.28, 4.39 A)
 &rst
  ixpk= 677, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1049,1050,1051,1053,1054,1055,
 igr2= 776, 777,
 &end
#
#   63 VAL  MGY          48 TRP  HB-         5.00    (#    679:20        Unique  2.28, 4.39 A)
 &rst
  ixpk= 679, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1049,1050,1051,1053,1054,1055,
 igr2= 776, 777,
 &end
#
#   63 VAL  MGX          48 TRP  HB-         4.00    (#    680:20        Unique  2.28, 4.39 A)
 &rst
  ixpk= 680, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1049,1050,1051,1053,1054,1055,
 igr2= 776, 777,
 &end
#
#   63 VAL  MGY          48 TRP  HB+         4.00    (#    681:20        Unique  2.28, 4.39 A)
 &rst
  ixpk= 681, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1049,1050,1051,1053,1054,1055,
 igr2= 776, 777,
 &end
#
#  100 ILE  QD1          48 TRP  HB+         4.00    (#    682:20        Unique  1.80, 4.20 A)
 &rst
  ixpk= 682, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1596,1597,1598,
 igr2= 776, 777,
 &end
#
#  100 ILE  QD1          48 TRP  HB-         4.00    (#    683:20        Unique  1.80, 4.20 A)
 &rst
  ixpk= 683, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1596,1597,1598,
 igr2= 776, 777,
 &end
#
#    6 ARG  HD+           6 ARG  HB+         4.00    (#    684:20        Unique  2.08, 3.34 A)
 &rst
  ixpk= 684, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=  83,  84,
 igr2=  77,  78,
 &end
#
#    6 ARG  HD-           6 ARG  HB+         4.00    (#    685:20        Unique  2.08, 3.34 A)
 &rst
  ixpk= 685, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=  83,  84,
 igr2=  77,  78,
 &end
#
#    6 ARG  HA            6 ARG  HB-         4.00    (#    686:20        Unique  2.24, 2.46 A)
 &rst
  ixpk= 686, nxpk= 20, iat=  75,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=  77,  78,
 &end
#
#    6 ARG  HD+           6 ARG  HB-         3.00    (#    687:20        Unique  2.08, 3.34 A)
 &rst
  ixpk= 687, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  83,  84,
 igr2=  77,  78,
 &end
#
#    6 ARG  HD-           6 ARG  HB-         3.00    (#    689:20        Unique  2.08, 3.34 A)
 &rst
  ixpk= 689, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  83,  84,
 igr2=  77,  78,
 &end
#
#   20 VAL  HA           20 VAL  HB          3.00    (#    693:20        Unique  2.68, 2.99 A)
 &rst
  ixpk= 693, nxpk= 20, iat= 321, 323, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:694     20 VAL  HB          3.00    (#    694:20        Single  0.00, 0.00  )
 &rst
  ixpk= 694, nxpk= 20, iat=  -1, 323, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 325, 326, 327, 329, 330, 331, 325, 326, 327, 329,
       330, 331,
 &end
#
#    0 AMB  20-2:695      0 AMB  20-1:695    3.00    (#    695:20        Double  0.00, 0.00  )
 &rst
  ixpk= 695, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1=1464,1465,1466,1468,1469,1470,1464,1465,1466,1468,
      1469,1470,
 igr2=1318,1319,1318,1319,
 &end
#
#    0 AMB  20-2:696     81 GLU  HB-         3.00    (#    696:20        Single  0.00, 0.00  )
 &rst
  ixpk= 696, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=1464,1465,1466,1468,1469,1470,1464,1465,1466,1468,
      1469,1470,
 igr2=1318,1319,
 &end
#
#    0 AMB  20-2:699      0 AMB  20-1:699    3.00    (#    699:20        Double  0.00, 0.00  )
 &rst
  ixpk= 699, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 239, 423,
 igr2= 241, 242, 425, 426,
 &end
#
#   22 ALA  MB           27 GLU  HB+         3.00    (#    700:20        Unique  1.88, 3.19 A)
 &rst
  ixpk= 700, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 351, 352, 353,
 igr2= 425, 426,
 &end
#
#    0 AMB  20-2:701      0 AMB  20-1:701    4.00    (#    701:20        Double  0.00, 0.00  )
 &rst
  ixpk= 701, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 258, 259, 260, 313, 314, 315,
 igr2= 241, 242, 241, 242,
 &end
#
#    5 GLU  HA            5 GLU  HB+         4.50    (#    702:20        Unique  2.35, 2.48 A)
 &rst
  ixpk= 702, nxpk= 20, iat=  60,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  62,  63,
 &end
#
#   15 GLU  HA           15 GLU  HB-         3.00    (#    704:20        Unique  2.25, 2.61 A)
 &rst
  ixpk= 704, nxpk= 20, iat= 239,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 241, 242,
 &end
#
#    0 AMB  20-2:705     15 GLU  HB-         3.00    (#    705:20        Single  0.00, 0.00  )
 &rst
  ixpk= 705, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 258, 259, 260, 313, 314, 315,
 igr2= 241, 242,
 &end
#
#  113 ILE  HA          113 ILE  HG1+        3.00    (#    706:20        Unique  2.16, 2.73 A)
 &rst
  ixpk= 706, nxpk= 20, iat=1768,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1776,1777,
 &end
#
#  113 ILE  QD1         113 ILE  HG1+        3.00    (#    708:20        Unique  2.21, 2.62 A)
 &rst
  ixpk= 708, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1779,1780,1781,
 igr2=1776,1777,
 &end
#
#    0 AMB  20-2:709      5 GLU  HB-         4.50    (#    709:20        Single  0.00, 0.00  )
 &rst
  ixpk= 709, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=  65,  66,  65,  66,
 igr2=  62,  63,
 &end
#
#    5 GLU  HA            5 GLU  HB-         4.50    (#    710:20        Unique  2.35, 2.48 A)
 &rst
  ixpk= 710, nxpk= 20, iat=  60,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  62,  63,
 &end
#
#   13 ARG  HG+          13 ARG  HB-         3.00    (#    711:20        Unique  2.23, 2.68 A)
 &rst
  ixpk= 711, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 201, 202,
 igr2= 198, 199,
 &end
#
#   13 ARG  HG-          13 ARG  HB-         3.00    (#    712:20        Unique  2.23, 2.68 A)
 &rst
  ixpk= 712, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 201, 202,
 igr2= 198, 199,
 &end
#
#   53 ARG  HA           53 ARG  HB+         3.00    (#    713:20        Unique  2.32, 2.75 A)
 &rst
  ixpk= 713, nxpk= 20, iat= 875,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 877, 878,
 &end
#
#   53 ARG  HA           53 ARG  HB-         3.00    (#    715:20        Unique  2.32, 2.75 A)
 &rst
  ixpk= 715, nxpk= 20, iat= 875,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 877, 878,
 &end
#
#   97 LEU  MDX         113 ILE  HG1-        3.00    (#    716:20        Unique  2.00, 4.13 A)
 &rst
  ixpk= 716, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1550,1551,1552,1554,1555,1556,
 igr2=1776,1777,
 &end
#
#  111 GLU  HA          111 GLU  HB+         3.00    (#    718:20        Unique  2.50, 2.78 A)
 &rst
  ixpk= 718, nxpk= 20, iat=1743,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1745,1746,
 &end
#
#   73 GLU  HA           73 GLU  HB-         3.00    (#    719:20        Unique  2.33, 2.74 A)
 &rst
  ixpk= 719, nxpk= 20, iat=1183,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1185,1186,
 &end
#
#    0 AMB  20-2:720     13 ARG  HB-         3.00    (#    720:20        Single  0.00, 0.00  )
 &rst
  ixpk= 720, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 196, 140,
 igr2= 198, 199,
 &end
#
#    0 AMB  20-2:722      0 AMB  20-1:722    3.00    (#    722:20        Double  0.00, 0.00  )
 &rst
  ixpk= 722, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 140, 196,
 igr2= 145, 146, 198, 199, 198, 199,
 &end
#
#   25 LYS  HE+          25 LYS  HD+         3.00    (#    723:20        Unique  2.22, 2.67 A)
 &rst
  ixpk= 723, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 397, 398,
 igr2= 394, 395,
 &end
#
#   96 LYS  HG-          96 LYS  HD+         3.00    (#    724:20        Unique  2.22, 2.66 A)
 &rst
  ixpk= 724, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1526,1527,
 igr2=1529,1530,
 &end
#
#   65 VAL  MGX          65 VAL  HB          3.00    (#    725:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 725, nxpk= 20, iat=  -1,1078, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1080,1081,1082,1084,1085,1086,
 &end
#
#   78 MET  ME           74 CYS  HB+         4.00    (#    727:20        Unique  2.00, 3.97 A)
 &rst
  ixpk= 727, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1271,1272,1273,
 igr2=1200,1201,
 &end
#
#    0 AMB  20-2:728      0 AMB  20-1:728    3.00    (#    728:20        Double  0.00, 0.00  )
 &rst
  ixpk= 728, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1211,1212,1233,1234,
 igr2=1236,1237,1236,1237,
 &end
#
#   58 ILE  QG2          49 LYS  HD+         4.00    (#    733:20        Unique  2.71, 4.86 A)
 &rst
  ixpk= 733, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 964, 965, 966,
 igr2= 806, 807,
 &end
#
#    0 AMB  20-2:734      0 AMB  20-1:734    3.00    (#    734:20        Double  0.00, 0.00  )
 &rst
  ixpk= 734, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1989,1990, 809, 810,
 igr2=1986,1987, 806, 807,
 &end
#
#    0 AMB  20-2:735      0 AMB  20-1:735    3.00    (#    735:20        Double  0.00, 0.00  )
 &rst
  ixpk= 735, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1983,1984, 847, 848,
 igr2=1986,1987, 850, 851,
 &end
#
#    0 AMB  20-2:736      0 AMB  20-1:736    5.50    (#    736:20        Double  0.00, 0.00  )
 &rst
  ixpk= 736, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 820, 937, 938,
 igr2= 850, 851, 850, 851,
 &end
#
#    0 AMB  20-2:737      0 AMB  20-1:737    3.00    (#    737:20        Double  0.00, 0.00  )
 &rst
  ixpk= 737, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 757, 758,1014,1015,1014,1015,
 igr2= 760, 761,1017,1018,1017,1018,
 &end
#
#   63 VAL  MGY          61 LYS  HD+         4.00    (#    738:20        Unique  2.31, 5.25 A)
 &rst
  ixpk= 738, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1049,1050,1051,1053,1054,1055,
 igr2=1017,1018,
 &end
#
#    6 ARG  HA            6 ARG  HG+         4.50    (#    739:20        Unique  3.47, 3.86 A)
 &rst
  ixpk= 739, nxpk= 20, iat=  75,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  80,  81,
 &end
#
#   50 LYS  HA           50 LYS  HD+         5.00    (#    740:20        Unique  3.70, 4.35 A)
 &rst
  ixpk= 740, nxpk= 20, iat= 820,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 828, 829,
 &end
#
#   50 LYS  HE+          50 LYS  HD+         3.00    (#    741:20        Unique  2.22, 2.66 A)
 &rst
  ixpk= 741, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 831, 832,
 igr2= 828, 829,
 &end
#
#   50 LYS  HB+          50 LYS  HD+         3.00    (#    742:20        Unique  2.03, 3.17 A)
 &rst
  ixpk= 742, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 822, 823,
 igr2= 828, 829,
 &end
#
#   50 LYS  HE+          50 LYS  HD-         3.00    (#    743:20        Unique  2.22, 2.66 A)
 &rst
  ixpk= 743, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 831, 832,
 igr2= 828, 829,
 &end
#
#   50 LYS  HB+          50 LYS  HD-         3.80    (#    744:20        Unique  2.03, 3.17 A)
 &rst
  ixpk= 744, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 822, 823,
 igr2= 828, 829,
 &end
#
#    8 GLU  HB-          11 GLU  HB-         5.00    (#    745:20        Unique  3.45, 5.47 A)
 &rst
  ixpk= 745, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 113, 114,
 igr2= 166, 167,
 &end
#
#   26 GLU  HA           26 GLU  HB+         3.00    (#    747:20        Unique  2.43, 2.77 A)
 &rst
  ixpk= 747, nxpk= 20, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 410, 411,
 &end
#
#   26 GLU  HG+          26 GLU  HB+         3.00    (#    748:20        Unique  2.23, 2.71 A)
 &rst
  ixpk= 748, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 413, 414,
 igr2= 410, 411,
 &end
#
#   75 LEU  MDX          26 GLU  HB+         5.00    (#    749:20        Unique  2.94, 5.50 A)
 &rst
  ixpk= 749, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1216,1217,1218,1220,1221,1222,
 igr2= 410, 411,
 &end
#
#    0 AMB  20-2:750      0 AMB  20-1:750    3.00    (#    750:20        Double  0.00, 0.00  )
 &rst
  ixpk= 750, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1688,1743,
 igr2=1728,1729,1728,1729,
 &end
#
#  105 VAL  MGX         110 GLN  HB+         3.00    (#    751:20        Unique  2.26, 4.98 A)
 &rst
  ixpk= 751, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1664,1665,1666,1668,1669,1670,
 igr2=1728,1729,
 &end
#
#    0 AMB  20-2:752      0 AMB  20-1:752    3.00    (#    752:20        Double  0.00, 0.00  )
 &rst
  ixpk= 752, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1731,1732, 413, 414,
 igr2=1728,1729, 410, 411,
 &end
#
#   75 LEU  MDX          26 GLU  HB-         4.00    (#    753:20        Unique  2.94, 5.50 A)
 &rst
  ixpk= 753, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1216,1217,1218,1220,1221,1222,
 igr2= 410, 411,
 &end
#
#   26 GLU  HA           26 GLU  HB-         3.00    (#    754:20        Unique  2.43, 2.77 A)
 &rst
  ixpk= 754, nxpk= 20, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 410, 411,
 &end
#
#  107 ASP  HA          110 GLN  HB-         3.50    (#    756:20        Unique  3.00, 3.45 A)
 &rst
  ixpk= 756, nxpk= 20, iat=1688,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1728,1729,
 &end
#
#  110 GLN  HA          110 GLN  HB-         3.00    (#    757:20        Unique  2.58, 2.81 A)
 &rst
  ixpk= 757, nxpk= 20, iat=1726,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1728,1729,
 &end
#
#  105 VAL  MGX         110 GLN  HB-         4.00    (#    758:20        Unique  2.26, 4.98 A)
 &rst
  ixpk= 758, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1664,1665,1666,1668,1669,1670,
 igr2=1728,1729,
 &end
#
#    6 ARG  HD+           6 ARG  HG+         3.00    (#    760:20        Unique  2.22, 2.65 A)
 &rst
  ixpk= 760, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  83,  84,
 igr2=  80,  81,
 &end
#
#    6 ARG  HD-           6 ARG  HG+         3.00    (#    761:20        Unique  2.22, 2.65 A)
 &rst
  ixpk= 761, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  83,  84,
 igr2=  80,  81,
 &end
#
#   11 GLU  HA           11 GLU  HB-         3.50    (#    762:20        Unique  2.33, 2.76 A)
 &rst
  ixpk= 762, nxpk= 20, iat= 164,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 166, 167,
 &end
#
#   11 GLU  HG+          11 GLU  HB-         3.50    (#    763:20        Unique  2.21, 2.68 A)
 &rst
  ixpk= 763, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 169, 170,
 igr2= 166, 167,
 &end
#
#    0 AMB  20-2:764      0 AMB  20-1:764    3.00    (#    764:20        Double  0.00, 0.00  )
 &rst
  ixpk= 764, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1144,1145,1726,
 igr2=1147,1148,1728,1729,
 &end
#
#   41 GLU  HA           41 GLU  HB+         3.00    (#    765:20        Unique  2.26, 2.45 A)
 &rst
  ixpk= 765, nxpk= 20, iat= 659,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 661, 662,
 &end
#
#   70 PRO  HD+          70 PRO  HG+         3.00    (#    768:20        Unique  2.30, 2.58 A)
 &rst
  ixpk= 768, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1144,1145,
 igr2=1147,1148,
 &end
#
#   70 PRO  HD+          70 PRO  HG-         3.00    (#    769:20        Unique  2.30, 2.58 A)
 &rst
  ixpk= 769, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1144,1145,
 igr2=1147,1148,
 &end
#
#   41 GLU  HA           41 GLU  HB-         3.00    (#    770:20        Unique  2.26, 2.45 A)
 &rst
  ixpk= 770, nxpk= 20, iat= 659,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 661, 662,
 &end
#
#   13 ARG  HA           13 ARG  HG-         4.00    (#    771:20        Unique  2.48, 3.18 A)
 &rst
  ixpk= 771, nxpk= 20, iat= 196,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 201, 202,
 &end
#
#   13 ARG  HD+          13 ARG  HG-         3.00    (#    772:20        Unique  2.32, 2.66 A)
 &rst
  ixpk= 772, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 204, 205,
 igr2= 201, 202,
 &end
#
#   13 ARG  HD+          13 ARG  HG+         3.20    (#    773:20        Unique  2.32, 2.66 A)
 &rst
  ixpk= 773, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr1= 204, 205,
 igr2= 201, 202,
 &end
#
#   13 ARG  HB+          13 ARG  HG+         3.20    (#    774:20        Unique  2.23, 2.68 A)
 &rst
  ixpk= 774, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr1= 198, 199,
 igr2= 201, 202,
 &end
#
#   40 LEU  HA           40 LEU  HG          3.00    (#    775:20        Unique  2.41, 2.64 A)
 &rst
  ixpk= 775, nxpk= 20, iat= 640, 645, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  109 THR  MG2          40 LEU  HG          4.00    (#    776:20        Unique  1.97, 3.14 A)
 &rst
  ixpk= 776, nxpk= 20, iat=  -1, 645, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1716,1717,1718,
 &end
#
#   40 LEU  HB-          40 LEU  HG          3.50    (#    777:20        Unique  2.22, 2.69 A)
 &rst
  ixpk= 777, nxpk= 20, iat=  -1, 645, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 642, 643,
 &end
#
#   58 ILE  HA           58 ILE  HG1-        3.00    (#    778:20        Unique  2.12, 2.96 A)
 &rst
  ixpk= 778, nxpk= 20, iat= 960,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 968, 969,
 &end
#
#    0 AMB  20-2:779     58 ILE  HG1-        3.00    (#    779:20        Single  0.00, 0.00  )
 &rst
  ixpk= 779, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 844, 845, 962,
 igr2= 968, 969,
 &end
#
#   58 ILE  QD1          58 ILE  HG1-        3.00    (#    780:20        Unique  2.21, 2.62 A)
 &rst
  ixpk= 780, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 971, 972, 973,
 igr2= 968, 969,
 &end
#
#   85 ILE  HB           85 ILE  HG1-        3.00    (#    781:20        Unique  2.47, 2.76 A)
 &rst
  ixpk= 781, nxpk= 20, iat=1371,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1377,1378,
 &end
#
#   58 ILE  HA           58 ILE  HG1+        3.50    (#    782:20        Unique  2.12, 2.96 A)
 &rst
  ixpk= 782, nxpk= 20, iat= 960,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 968, 969,
 &end
#
#    0 AMB  20-2:783      0 AMB  20-1:783    3.00    (#    783:20        Double  0.00, 0.00  )
 &rst
  ixpk= 783, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 844, 845, 962,
 igr2= 968, 969, 968, 969,
 &end
#
#   58 ILE  QD1          58 ILE  HG1+        3.00    (#    784:20        Unique  2.21, 2.62 A)
 &rst
  ixpk= 784, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 971, 972, 973,
 igr2= 968, 969,
 &end
#
#   36 LEU  MDY          36 LEU  HG          3.00    (#    787:20        Unique  2.21, 2.63 A)
 &rst
  ixpk= 787, nxpk= 20, iat=  -1, 588, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 590, 591, 592, 594, 595, 596,
 &end
#
#   53 ARG  HD+          53 ARG  HG+         3.00    (#    791:20        Unique  2.22, 2.71 A)
 &rst
  ixpk= 791, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 883, 884,
 igr2= 880, 881,
 &end
#
#   75 LEU  HA           75 LEU  HG          3.80    (#    792:20        Unique  3.12, 3.18 A)
 &rst
  ixpk= 792, nxpk= 20, iat=1209,1214, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#   75 LEU  MDY          75 LEU  HG          3.00    (#    793:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 793, nxpk= 20, iat=  -1,1214, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1216,1217,1218,1220,1221,1222,
 &end
#
#   75 LEU  MDX          75 LEU  HG          3.00    (#    794:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 794, nxpk= 20, iat=  -1,1214, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1216,1217,1218,1220,1221,1222,
 &end
#
#   85 ILE  HA           85 ILE  HG1+        4.00    (#    796:20        Unique  3.68, 3.71 A)
 &rst
  ixpk= 796, nxpk= 20, iat=1369,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1377,1378,
 &end
#
#   85 ILE  QG2          85 ILE  HG1+        3.00    (#    797:20        Unique  2.26, 3.48 A)
 &rst
  ixpk= 797, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1373,1374,1375,
 igr2=1377,1378,
 &end
#
#   36 LEU  MDX          36 LEU  HG          3.00    (#    800:20        Unique  2.21, 2.63 A)
 &rst
  ixpk= 800, nxpk= 20, iat=  -1, 588, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 590, 591, 592, 594, 595, 596,
 &end
#
#  117 LEU  HA          117 LEU  HG          3.80    (#    801:20        Unique  2.56, 2.84 A)
 &rst
  ixpk= 801, nxpk= 20, iat=1833,1838, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  117 LEU  HB+         117 LEU  HG          3.00    (#    803:20        Unique  2.40, 2.76 A)
 &rst
  ixpk= 803, nxpk= 20, iat=  -1,1838, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1835,1836,
 &end
#
#  117 LEU  MDX         117 LEU  HG          3.00    (#    804:20        Unique  2.21, 2.63 A)
 &rst
  ixpk= 804, nxpk= 20, iat=  -1,1838, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1840,1841,1842,1844,1845,1846,
 &end
#
#    0 AMB  20-2:805     97 LEU  HG          3.00    (#    805:20        Single  0.00, 0.00  )
 &rst
  ixpk= 805, nxpk= 20, iat=  -1,1548, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1550,1551,1552,1554,1555,1556,1545,1546,
 &end
#
#    0 AMB  20-2:806     97 LEU  HG          3.00    (#    806:20        Single  0.00, 0.00  )
 &rst
  ixpk= 806, nxpk= 20, iat=  -1,1548, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1550,1551,1552,1554,1555,1556,1264,1265,
 &end
#
#  103 ILE  HA          103 ILE  HG1-        3.00    (#    807:20        Unique  2.22, 2.87 A)
 &rst
  ixpk= 807, nxpk= 20, iat=1629,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1637,1638,
 &end
#
#  103 ILE  QD1         103 ILE  HG1-        3.00    (#    808:20        Unique  2.21, 2.62 A)
 &rst
  ixpk= 808, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1640,1641,1642,
 igr2=1637,1638,
 &end
#
#  103 ILE  HA          103 ILE  HG1+        3.00    (#    809:20        Unique  2.22, 2.87 A)
 &rst
  ixpk= 809, nxpk= 20, iat=1629,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1637,1638,
 &end
#
#   97 LEU  HA           97 LEU  MDY         4.00    (#    810:20        Unique  1.94, 3.44 A)
 &rst
  ixpk= 810, nxpk= 20, iat=1543,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1550,1551,1552,1554,1555,1556,
 &end
#
#  113 ILE  HA           97 LEU  MDY         4.80    (#    811:20        Unique  1.92, 4.37 A)
 &rst
  ixpk= 811, nxpk= 20, iat=1768,  -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr2=1550,1551,1552,1554,1555,1556,
 &end
#
#    0 AMB  20-2:812     97 LEU  MDY         3.00    (#    812:20        Single  0.00, 0.00  )
 &rst
  ixpk= 812, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=1127,1128,1129,1548,1523,1524,
 igr2=1550,1551,1552,1554,1555,1556,
 &end
#
#   97 LEU  HB+          97 LEU  MDY         3.00    (#    813:20        Unique  2.04, 3.43 A)
 &rst
  ixpk= 813, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1545,1546,
 igr2=1550,1551,1552,1554,1555,1556,
 &end
#
#  114 ALA  HA          117 LEU  HG          4.00    (#    815:20        Unique  3.10, 3.56 A)
 &rst
  ixpk= 815, nxpk= 20, iat=1787,1838, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   19 ILE  HB           19 ILE  HG1-        3.00    (#    816:20        Unique  2.25, 2.60 A)
 &rst
  ixpk= 816, nxpk= 20, iat= 304,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 310, 311,
 &end
#
#   15 GLU  HA           19 ILE  HG1+        4.00    (#    818:20        Unique  1.99, 3.30 A)
 &rst
  ixpk= 818, nxpk= 20, iat= 239,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 310, 311,
 &end
#
#  103 ILE  QD1         103 ILE  HG1+        3.00    (#    819:20        Unique  2.21, 2.62 A)
 &rst
  ixpk= 819, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1640,1641,1642,
 igr2=1637,1638,
 &end
#
#   96 LYS  HE+          96 LYS  HG+         4.00    (#    822:20        Unique  2.14, 3.37 A)
 &rst
  ixpk= 822, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1532,1533,
 igr2=1526,1527,
 &end
#
#  100 ILE  HB          100 ILE  HG1-        3.00    (#    823:20        Unique  2.24, 2.72 A)
 &rst
  ixpk= 823, nxpk= 20, iat=1587,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1593,1594,
 &end
#
#  100 ILE  QG2         100 ILE  HG1-        3.50    (#    824:20        Unique  2.37, 3.41 A)
 &rst
  ixpk= 824, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1589,1590,1591,
 igr2=1593,1594,
 &end
#
#  100 ILE  QD1         100 ILE  HG1-        3.00    (#    825:20        Unique  2.22, 2.62 A)
 &rst
  ixpk= 825, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1596,1597,1598,
 igr2=1593,1594,
 &end
#
#    0 AMB  20-2:826      0 AMB  20-1:826    3.00    (#    826:20        Double  0.00, 0.00  )
 &rst
  ixpk= 826, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1587, 244, 245,
 igr2=1593,1594, 310, 311,
 &end
#
#    0 AMB  20-2:827      0 AMB  20-1:827    3.00    (#    827:20        Double  0.00, 0.00  )
 &rst
  ixpk= 827, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1=1335,1336,1337,1339,1340,1341,1080,1081,1082,1084,
      1085,1086,
 igr2=1593,1594,1593,1594,
 &end
#
#  100 ILE  QD1         100 ILE  HG1+        3.00    (#    828:20        Unique  2.22, 2.62 A)
 &rst
  ixpk= 828, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1596,1597,1598,
 igr2=1593,1594,
 &end
#
#  100 ILE  QG2         100 ILE  HG1+        3.50    (#    829:20        Unique  2.37, 3.41 A)
 &rst
  ixpk= 829, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1589,1590,1591,
 igr2=1593,1594,
 &end
#
#   96 LYS  HE-          96 LYS  HG-         4.00    (#    830:20        Unique  2.14, 3.37 A)
 &rst
  ixpk= 830, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1532,1533,
 igr2=1526,1527,
 &end
#
#    0 AMB  20-2:831     96 LYS  HG-         3.00    (#    831:20        Single  0.00, 0.00  )
 &rst
  ixpk= 831, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1529,1530,1523,1524,
 igr2=1526,1527,
 &end
#
#   36 LEU  HG           40 LEU  MDX         4.00    (#    832:20        Unique  2.04, 3.57 A)
 &rst
  ixpk= 832, nxpk= 20, iat= 588,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 647, 648, 649, 651, 652, 653,
 &end
#
#    0 AMB  20-2:833     40 LEU  MDX         3.00    (#    833:20        Single  0.00, 0.00  )
 &rst
  ixpk= 833, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 640, 583,
 igr2= 647, 648, 649, 651, 652, 653,
 &end
#
#    0 AMB  20-2:834     40 LEU  MDX         4.00    (#    834:20        Single  0.00, 0.00  )
 &rst
  ixpk= 834, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=1776,1777,1123,1124,
 igr2= 647, 648, 649, 651, 652, 653,
 &end
#
#    0 AMB  20-2:835     40 LEU  MDX         3.00    (#    835:20        Single  0.00, 0.00  )
 &rst
  ixpk= 835, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 645,1127,1128,1129,
 igr2= 647, 648, 649, 651, 652, 653,
 &end
#
#  112 ALA  MB           40 LEU  MDX         3.00    (#    836:20        Unique  1.98, 4.34 A)
 &rst
  ixpk= 836, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1760,1761,1762,
 igr2= 647, 648, 649, 651, 652, 653,
 &end
#
#   40 LEU  HB-          40 LEU  MDX         4.00    (#    837:20        Unique  1.95, 3.31 A)
 &rst
  ixpk= 837, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 642, 643,
 igr2= 647, 648, 649, 651, 652, 653,
 &end
#
#    0 AMB  20-2:839    120 LEU  MDY         4.00    (#    839:20        Single  0.00, 0.00  )
 &rst
  ixpk= 839, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1833,1564,1565,
 igr2=1904,1905,1906,1908,1909,1910,
 &end
#
#    4 VAL  HB          122 ARG  HB+         6.00    (#    840:20        Unique  1.83, 4.50 A)
 &rst
  ixpk= 840, nxpk= 20, iat=  46,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1928,1929,
 &end
#
#  120 LEU  HB+         120 LEU  MDY         3.00    (#    841:20        Unique  1.92, 3.27 A)
 &rst
  ixpk= 841, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1899,1900,
 igr2=1904,1905,1906,1908,1909,1910,
 &end
#
#  117 LEU  MDY         120 LEU  MDY         4.00    (#    842:20        Unique  3.16, 7.67 A)
 &rst
  ixpk= 842, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1840,1841,1842,1844,1845,1846,
 igr2=1904,1905,1906,1908,1909,1910,
 &end
#
#    0 AMB  20-2:844     40 LEU  MDY         3.00    (#    844:20        Single  0.00, 0.00  )
 &rst
  ixpk= 844, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 640, 583,
 igr2= 647, 648, 649, 651, 652, 653,
 &end
#
#    0 AMB  20-2:845     40 LEU  MDY         3.00    (#    845:20        Single  0.00, 0.00  )
 &rst
  ixpk= 845, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=1776,1777,1123,1124,
 igr2= 647, 648, 649, 651, 652, 653,
 &end
#
#    0 AMB  20-2:846     40 LEU  MDY         3.00    (#    846:20        Single  0.00, 0.00  )
 &rst
  ixpk= 846, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 645,1127,1128,1129,
 igr2= 647, 648, 649, 651, 652, 653,
 &end
#
#  112 ALA  MB           40 LEU  MDY         3.00    (#    847:20        Unique  1.98, 4.34 A)
 &rst
  ixpk= 847, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1760,1761,1762,
 igr2= 647, 648, 649, 651, 652, 653,
 &end
#
#    0 AMB  20-2:848     40 LEU  MDY         3.00    (#    848:20        Single  0.00, 0.00  )
 &rst
  ixpk= 848, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr1=1716,1717,1718,1304,1305,1306,1308,1309,1310,
 igr2= 647, 648, 649, 651, 652, 653,
 &end
#
#   40 LEU  HB-          40 LEU  MDY         3.80    (#    849:20        Unique  1.95, 3.31 A)
 &rst
  ixpk= 849, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 642, 643,
 igr2= 647, 648, 649, 651, 652, 653,
 &end
#
#   66 LEU  HA            0 AMB  20-1:850    4.00    (#    850:20        Single  0.00, 0.00  )
 &rst
  ixpk= 850, nxpk= 20, iat=1092,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr2=1099,1100,1101,1103,1104,1105,1097,
 &end
#
#   65 VAL  HA            0 AMB  20-1:851    5.50    (#    851:20        Single  0.00, 0.00  )
 &rst
  ixpk= 851, nxpk= 20, iat=1076,  -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr2=1099,1100,1101,1103,1104,1105,1097,
 &end
#
#    0 AMB  20-2:853      0 AMB  20-1:853    5.00    (#    853:20        Double  0.00, 0.00  )
 &rst
  ixpk= 853, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.25, r4= 9.75,
 igr1=1318,1319, 231, 232, 233,
 igr2=1099,1100,1101,1103,1104,1105, 291, 292,
 &end
#
#    0 AMB  20-2:854      0 AMB  20-1:854    3.00    (#    854:20        Double  0.00, 0.00  )
 &rst
  ixpk= 854, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1=1094,1095,1349,1350,1351,
 igr2=1099,1100,1101,1103,1104,1105,1097,
 &end
#
#  117 LEU  HA          117 LEU  MDX         4.00    (#    855:20        Unique  1.97, 3.86 A)
 &rst
  ixpk= 855, nxpk= 20, iat=1833,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1840,1841,1842,1844,1845,1846,
 &end
#
#   18 ILE  QG2          18 ILE  HG1-        5.00    (#    857:20        Unique  2.52, 3.51 A)
 &rst
  ixpk= 857, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 287, 288, 289,
 igr2= 291, 292,
 &end
#
#   36 LEU  HA           36 LEU  MDX         4.00    (#    858:20        Unique  2.04, 4.07 A)
 &rst
  ixpk= 858, nxpk= 20, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 590, 591, 592, 594, 595, 596,
 &end
#
#   32 TRP  HB-          36 LEU  MDX         5.00    (#    859:20        Unique  2.90, 5.93 A)
 &rst
  ixpk= 859, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 498, 499,
 igr2= 590, 591, 592, 594, 595, 596,
 &end
#
#    0 AMB  20-2:860     36 LEU  MDX         3.00    (#    860:20        Single  0.00, 0.00  )
 &rst
  ixpk= 860, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 588, 604, 605,
 igr2= 590, 591, 592, 594, 595, 596,
 &end
#
#   78 MET  ME           36 LEU  MDX         5.00    (#    861:20        Unique  3.33, 6.04 A)
 &rst
  ixpk= 861, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1271,1272,1273,
 igr2= 590, 591, 592, 594, 595, 596,
 &end
#
#   36 LEU  HB-          36 LEU  MDX         3.00    (#    862:20        Unique  1.94, 3.22 A)
 &rst
  ixpk= 862, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 585, 586,
 igr2= 590, 591, 592, 594, 595, 596,
 &end
#
#    0 AMB  20-2:863     36 LEU  MDX         4.00    (#    863:20        Single  0.00, 0.00  )
 &rst
  ixpk= 863, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=1127,1128,1129,1548,
 igr2= 590, 591, 592, 594, 595, 596,
 &end
#
#   36 LEU  HB+          36 LEU  MDX         3.00    (#    864:20        Unique  1.94, 3.22 A)
 &rst
  ixpk= 864, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 585, 586,
 igr2= 590, 591, 592, 594, 595, 596,
 &end
#
#   18 ILE  QG2          18 ILE  HG1+        5.00    (#    867:20        Unique  2.52, 3.51 A)
 &rst
  ixpk= 867, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 287, 288, 289,
 igr2= 291, 292,
 &end
#
#  114 ALA  HA          117 LEU  MDX         3.00    (#    868:20        Unique  1.98, 4.09 A)
 &rst
  ixpk= 868, nxpk= 20, iat=1787,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1840,1841,1842,1844,1845,1846,
 &end
#
#  117 LEU  HG          117 LEU  MDX         3.00    (#    869:20        Unique  2.21, 2.63 A)
 &rst
  ixpk= 869, nxpk= 20, iat=1838,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1840,1841,1842,1844,1845,1846,
 &end
#
#  117 LEU  HB-         117 LEU  MDX         3.00    (#    870:20        Unique  2.08, 3.26 A)
 &rst
  ixpk= 870, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1835,1836,
 igr2=1840,1841,1842,1844,1845,1846,
 &end
#
#  117 LEU  HB+         117 LEU  MDX         3.00    (#    871:20        Unique  2.08, 3.26 A)
 &rst
  ixpk= 871, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1835,1836,
 igr2=1840,1841,1842,1844,1845,1846,
 &end
#
#   76 LYS  HE+          76 LYS  HG+         3.00    (#    872:20        Unique  2.04, 3.25 A)
 &rst
  ixpk= 872, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1239,1240,
 igr2=1233,1234,
 &end
#
#   76 LYS  HB+          76 LYS  HG+         3.00    (#    873:20        Unique  2.21, 2.67 A)
 &rst
  ixpk= 873, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1230,1231,
 igr2=1233,1234,
 &end
#
#    0 AMB  20-2:874      0 AMB  20-1:874    3.00    (#    874:20        Double  0.00, 0.00  )
 &rst
  ixpk= 874, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1236,1237,1211,1212,
 igr2=1233,1234,1233,1234,
 &end
#
#    0 AMB  20-2:875      0 AMB  20-1:875    3.00    (#    875:20        Double  0.00, 0.00  )
 &rst
  ixpk= 875, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 899, 875,
 igr2= 904, 905, 904, 905,
 &end
#
#   26 GLU  HG+          75 LEU  MDY         3.00    (#    878:20        Unique  3.03, 5.06 A)
 &rst
  ixpk= 878, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 413, 414,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#    0 AMB  20-2:879     75 LEU  MDY         6.00    (#    879:20        Single  0.00, 0.00  )
 &rst
  ixpk= 879, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1=1188,1189,1230,1231,1147,1148,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#   75 LEU  HB-          75 LEU  MDY         3.00    (#    880:20        Unique  2.25, 3.28 A)
 &rst
  ixpk= 880, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1211,1212,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#    0 AMB  20-2:881     75 LEU  MDY         3.00    (#    881:20        Single  0.00, 0.00  )
 &rst
  ixpk= 881, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 481, 482, 483,1214,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#   75 LEU  HB+          75 LEU  MDY         3.00    (#    882:20        Unique  2.25, 3.28 A)
 &rst
  ixpk= 882, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1211,1212,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#    0 AMB  20-2:883     75 LEU  MDY         7.00    (#    883:20        Single  0.00, 0.00  )
 &rst
  ixpk= 883, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.34, r4=12.84,
 igr1= 462, 522, 523, 428, 429,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#   72 ASP  HB-          75 LEU  MDY         5.00    (#    884:20        Unique  4.66, 6.76 A)
 &rst
  ixpk= 884, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1173,1174,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#    0 AMB  20-2:886      0 AMB  20-1:886    3.00    (#    886:20        Double  0.00, 0.00  )
 &rst
  ixpk= 886, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 999,1000,1606,1607,
 igr2= 757, 758, 803, 804,
 &end
#
#    0 AMB  20-2:887      0 AMB  20-1:887    3.00    (#    887:20        Double  0.00, 0.00  )
 &rst
  ixpk= 887, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
 igr1= 760, 761, 806, 807, 907, 908,1410,1411, 754, 755,
      
 igr2= 757, 758, 803, 804, 904, 905,1407,1408, 757, 758,
      
 &end
#
#   47 LYS  HE+          47 LYS  HG-         4.00    (#    888:20        Unique  1.94, 3.14 A)
 &rst
  ixpk= 888, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 763, 764,
 igr2= 757, 758,
 &end
#
#    0 AMB  20-2:889      0 AMB  20-1:889    3.00    (#    889:20        Double  0.00, 0.00  )
 &rst
  ixpk= 889, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 901, 902, 754, 755, 877, 878,
 igr2= 904, 905, 757, 758, 904, 905,
 &end
#
#    0 AMB  20-2:890      0 AMB  20-1:890    3.00    (#    890:20        Double  0.00, 0.00  )
 &rst
  ixpk= 890, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 760, 761, 907, 908,
 igr2= 757, 758, 904, 905,
 &end
#
#    0 AMB  20-2:891      0 AMB  20-1:891    3.00    (#    891:20        Double  0.00, 0.00  )
 &rst
  ixpk= 891, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 935, 842,
 igr2= 847, 848, 847, 848,
 &end
#
#    0 AMB  20-2:892      0 AMB  20-1:892    5.00    (#    892:20        Double  0.00, 0.00  )
 &rst
  ixpk= 892, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1= 937, 938, 937, 938,
 igr2= 847, 848, 847, 848,
 &end
#
#    0 AMB  20-2:894      0 AMB  20-1:894    3.00    (#    894:20        Double  0.00, 0.00  )
 &rst
  ixpk= 894, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 844, 845, 850, 851,
 igr2= 847, 848, 847, 848,
 &end
#
#   88 LYS  HA           88 LYS  HG+         4.50    (#    896:20        Unique  2.75, 3.60 A)
 &rst
  ixpk= 896, nxpk= 20, iat=1402,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1407,1408,
 &end
#
#   43 PRO  HD+          43 PRO  HG-         3.00    (#    897:20        Unique  2.30, 2.58 A)
 &rst
  ixpk= 897, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 693, 694,
 igr2= 696, 697,
 &end
#
#   43 PRO  HD-          43 PRO  HG-         3.00    (#    898:20        Unique  2.30, 2.58 A)
 &rst
  ixpk= 898, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 693, 694,
 igr2= 696, 697,
 &end
#
#   43 PRO  HB+          43 PRO  HG+         3.00    (#    899:20        Unique  2.32, 2.58 A)
 &rst
  ixpk= 899, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 699, 700,
 igr2= 696, 697,
 &end
#
#   43 PRO  HD+          43 PRO  HG+         3.00    (#    901:20        Unique  2.30, 2.58 A)
 &rst
  ixpk= 901, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 693, 694,
 igr2= 696, 697,
 &end
#
#   43 PRO  HD-          43 PRO  HG+         3.00    (#    902:20        Unique  2.30, 2.58 A)
 &rst
  ixpk= 902, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 693, 694,
 igr2= 696, 697,
 &end
#
#   25 LYS  HA           25 LYS  HG+         5.00    (#    903:20        Unique  3.57, 3.91 A)
 &rst
  ixpk= 903, nxpk= 20, iat= 386,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 391, 392,
 &end
#
#   48 TRP  HB+          61 LYS  HG+         5.00    (#    904:20        Unique  4.21, 5.13 A)
 &rst
  ixpk= 904, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 776, 777,
 igr2=1014,1015,
 &end
#
#   25 LYS  HE+          25 LYS  HG+         4.00    (#    905:20        Unique  2.01, 3.27 A)
 &rst
  ixpk= 905, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 397, 398,
 igr2= 391, 392,
 &end
#
#   25 LYS  HE+          25 LYS  HG-         3.00    (#    906:20        Unique  2.01, 3.27 A)
 &rst
  ixpk= 906, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 397, 398,
 igr2= 391, 392,
 &end
#
#   25 LYS  HB+          25 LYS  HG-         3.00    (#    907:20        Unique  2.24, 2.63 A)
 &rst
  ixpk= 907, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 388, 389,
 igr2= 391, 392,
 &end
#
#   97 LEU  HB+          80 VAL  MGY         5.00    (#    908:20        Unique  3.07, 6.07 A)
 &rst
  ixpk= 908, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1545,1546,
 igr2=1304,1305,1306,1308,1309,1310,
 &end
#
#  125 LYS  HE+         125 LYS  HG+         3.00    (#    912:20        Unique  2.01, 3.14 A)
 &rst
  ixpk= 912, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1989,1990,
 igr2=1983,1984,
 &end
#
#   80 VAL  HB           80 VAL  MGY         3.00    (#    913:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 913, nxpk= 20, iat=1302,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1304,1305,1306,1308,1309,1310,
 &end
#
#    0 AMB  20-2:914      0 AMB  20-1:914    3.00    (#    914:20        Double  0.00, 0.00  )
 &rst
  ixpk= 914, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 822, 823, 822, 823,
 igr2= 825, 826, 825, 826,
 &end
#
#    0 AMB  20-2:915      0 AMB  20-1:915    3.00    (#    915:20        Double  0.00, 0.00  )
 &rst
  ixpk= 915, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 828, 829, 828, 829,
 igr2= 825, 826, 825, 826,
 &end
#
#   50 LYS  HA            0 AMB  20-1:916    3.00    (#    916:20        Single  0.00, 0.00  )
 &rst
  ixpk= 916, nxpk= 20, iat= 820,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr2= 825, 826, 825, 826,
 &end
#
#    0 AMB  20-2:917      0 AMB  20-1:917    3.00    (#    917:20        Double  0.00, 0.00  )
 &rst
  ixpk= 917, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 831, 832, 831, 832,
 igr2= 825, 826, 825, 826,
 &end
#
#    0 AMB  20-2:918      0 AMB  20-1:918    3.00    (#    918:20        Double  0.00, 0.00  )
 &rst
  ixpk= 918, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 828, 829, 828, 829,
 igr2= 825, 826, 825, 826,
 &end
#
#   75 LEU  HA           75 LEU  MDX         3.00    (#    920:20        Unique  1.99, 3.81 A)
 &rst
  ixpk= 920, nxpk= 20, iat=1209,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#   30 MET  HB+          75 LEU  MDX         5.00    (#    921:20        Unique  6.42, 8.63 A)
 &rst
  ixpk= 921, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 474, 475,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#   74 CYS  HB-          75 LEU  MDX         5.00    (#    922:20        Unique  4.63, 6.94 A)
 &rst
  ixpk= 922, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1200,1201,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#   26 GLU  HG+          75 LEU  MDX         4.00    (#    923:20        Unique  3.03, 5.06 A)
 &rst
  ixpk= 923, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 413, 414,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#   71 ASP  HB+          75 LEU  MDX         4.00    (#    924:20        Unique  2.74, 6.52 A)
 &rst
  ixpk= 924, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1161,1162,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#   75 LEU  HB-          75 LEU  MDX         3.00    (#    925:20        Unique  2.25, 3.28 A)
 &rst
  ixpk= 925, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1211,1212,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#    0 AMB  20-2:926     75 LEU  MDX         3.00    (#    926:20        Single  0.00, 0.00  )
 &rst
  ixpk= 926, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 481, 482, 483,1214,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#   75 LEU  HB+          75 LEU  MDX         3.00    (#    927:20        Unique  2.25, 3.28 A)
 &rst
  ixpk= 927, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1211,1212,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#    0 AMB  20-2:928    105 VAL  MGY         3.00    (#    928:20        Single  0.00, 0.00  )
 &rst
  ixpk= 928, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 710, 711, 710, 711,
 igr2=1664,1665,1666,1668,1669,1670,
 &end
#
#  102 ALA  MB          105 VAL  MGY         3.00    (#    929:20        Unique  1.90, 3.42 A)
 &rst
  ixpk= 929, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1621,1622,1623,
 igr2=1664,1665,1666,1668,1669,1670,
 &end
#
#   65 VAL  HA           82 VAL  MGY         3.00    (#    930:20        Unique  1.52, 3.98 A)
 &rst
  ixpk= 930, nxpk= 20, iat=1076,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#   63 VAL  HB           82 VAL  MGY         3.00    (#    931:20        Unique  1.81, 3.13 A)
 &rst
  ixpk= 931, nxpk= 20, iat=1047,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#   82 VAL  HB           82 VAL  MGY         3.00    (#    932:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 932, nxpk= 20, iat=1333,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#  100 ILE  HG1+         82 VAL  MGY         4.00    (#    933:20        Unique  3.93, 6.13 A)
 &rst
  ixpk= 933, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1593,1594,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#   80 VAL  MGY          82 VAL  MGY         3.00    (#    934:20        Unique  1.95, 6.39 A)
 &rst
  ixpk= 934, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=1304,1305,1306,1308,1309,1310,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#    0 AMB  20-2:937     83 ALA  MB          5.00    (#    937:20        Single  0.00, 0.00  )
 &rst
  ixpk= 937, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1359,1360,1450,1451,
 igr2=1349,1350,1351,
 &end
#
#   66 LEU  MDY          83 ALA  MB          4.00    (#    940:20        Unique  2.12, 5.10 A)
 &rst
  ixpk= 940, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1099,1100,1101,1103,1104,1105,
 igr2=1349,1350,1351,
 &end
#
#   82 VAL  MGX          83 ALA  MB          6.00    (#    941:20        Unique  4.60, 6.55 A)
 &rst
  ixpk= 941, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1=1335,1336,1337,1339,1340,1341,
 igr2=1349,1350,1351,
 &end
#
#   74 CYS  HB+          78 MET  ME          4.00    (#    943:20        Unique  2.00, 3.97 A)
 &rst
  ixpk= 943, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1200,1201,
 igr2=1271,1272,1273,
 &end
#
#   33 TYR  HB-          78 MET  ME          4.00    (#    944:20        Unique  1.82, 3.55 A)
 &rst
  ixpk= 944, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 522, 523,
 igr2=1271,1272,1273,
 &end
#
#   29 ALA  HA           78 MET  ME          3.50    (#    945:20        Unique  1.99, 3.03 A)
 &rst
  ixpk= 945, nxpk= 20, iat= 462,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1271,1272,1273,
 &end
#
#   78 MET  HG+          78 MET  ME          3.00    (#    947:20        Unique  2.17, 3.61 A)
 &rst
  ixpk= 947, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1267,1268,
 igr2=1271,1272,1273,
 &end
#
#    0 AMB  20-2:948     78 MET  ME          4.00    (#    948:20        Single  0.00, 0.00  )
 &rst
  ixpk= 948, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr1= 464, 465, 466,1267,1268,
 igr2=1271,1272,1273,
 &end
#
#   78 MET  HB-          78 MET  ME          4.00    (#    949:20        Unique  1.92, 4.26 A)
 &rst
  ixpk= 949, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1264,1265,
 igr2=1271,1272,1273,
 &end
#
#   69 ALA  HA           94 THR  MG2         5.00    (#    950:20        Unique  3.17, 4.25 A)
 &rst
  ixpk= 950, nxpk= 20, iat=1135,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1501,1502,1503,
 &end
#
#   94 THR  HB           94 THR  MG2         3.00    (#    951:20        Unique  2.23, 2.64 A)
 &rst
  ixpk= 951, nxpk= 20, iat=1499,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1501,1502,1503,
 &end
#
#   79 TYR  HB+          94 THR  MG2         4.00    (#    952:20        Unique  1.98, 4.18 A)
 &rst
  ixpk= 952, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1281,1282,
 igr2=1501,1502,1503,
 &end
#
#    0 AMB  20-2:955     36 LEU  MDY         3.00    (#    955:20        Single  0.00, 0.00  )
 &rst
  ixpk= 955, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 588, 604, 605,
 igr2= 590, 591, 592, 594, 595, 596,
 &end
#
#   82 VAL  MGX          63 VAL  MGY         3.00    (#    957:20        Unique  1.92, 4.21 A)
 &rst
  ixpk= 957, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=1335,1336,1337,1339,1340,1341,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#   48 TRP  HB-          63 VAL  MGY         4.00    (#    958:20        Unique  2.28, 4.39 A)
 &rst
  ixpk= 958, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 776, 777,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#    0 AMB  20-2:959      0 AMB  20-1:959    4.80    (#    959:20        Double  0.00, 0.00  )
 &rst
  ixpk= 959, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.76, r4=12.26,
 igr1=1304,1305,1306,1308,1309,1310,1904,1905,1906,1908,
      1909,1910,1904,1905,1906,1908,1909,1910,
 igr2= 590, 591, 592, 594, 595, 596,1840,1841,1842,1844,
      1845,1846,
 &end
#
#  108 ASP  HB+          39 THR  MG2         4.00    (#    961:20        Unique  1.95, 3.61 A)
 &rst
  ixpk= 961, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1702,1703,
 igr2= 630, 631, 632,
 &end
#
#  108 ASP  HB-          39 THR  MG2         3.00    (#    962:20        Unique  1.95, 3.61 A)
 &rst
  ixpk= 962, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1702,1703,
 igr2= 630, 631, 632,
 &end
#
#    0 AMB  20-2:963      0 AMB  20-1:963    3.00    (#    963:20        Double  0.00, 0.00  )
 &rst
  ixpk= 963, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=1833, 583,
 igr2=1840,1841,1842,1844,1845,1846, 590, 591, 592, 594,
       595, 596,
 &end
#
#  117 LEU  HB-         117 LEU  MDY         3.00    (#    964:20        Unique  2.08, 3.26 A)
 &rst
  ixpk= 964, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1835,1836,
 igr2=1840,1841,1842,1844,1845,1846,
 &end
#
#  114 ALA  HA          117 LEU  MDY         4.20    (#    965:20        Unique  1.98, 4.09 A)
 &rst
  ixpk= 965, nxpk= 20, iat=1787,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2=1840,1841,1842,1844,1845,1846,
 &end
#
#   66 LEU  HA           66 LEU  MDX         3.00    (#    966:20        Unique  1.96, 3.65 A)
 &rst
  ixpk= 966, nxpk= 20, iat=1092,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1099,1100,1101,1103,1104,1105,
 &end
#
#   43 PRO  HB+          66 LEU  MDX         4.00    (#    967:20        Unique  3.05, 5.83 A)
 &rst
  ixpk= 967, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 699, 700,
 igr2=1099,1100,1101,1103,1104,1105,
 &end
#
#   43 PRO  HB-          66 LEU  MDX         3.00    (#    968:20        Unique  3.05, 5.83 A)
 &rst
  ixpk= 968, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 699, 700,
 igr2=1099,1100,1101,1103,1104,1105,
 &end
#
#   81 GLU  HB+          66 LEU  MDX         4.50    (#    969:20        Unique  2.11, 4.93 A)
 &rst
  ixpk= 969, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1318,1319,
 igr2=1099,1100,1101,1103,1104,1105,
 &end
#
#   66 LEU  HB-          66 LEU  MDX         3.00    (#    970:20        Unique  2.06, 3.37 A)
 &rst
  ixpk= 970, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1094,1095,
 igr2=1099,1100,1101,1103,1104,1105,
 &end
#
#   45 MET  HB-          62 THR  MG2         5.50    (#    971:20        Unique  3.31, 5.21 A)
 &rst
  ixpk= 971, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 730, 731,
 igr2=1035,1036,1037,
 &end
#
#   45 MET  ME           62 THR  MG2         3.00    (#    972:20        Unique  1.93, 3.31 A)
 &rst
  ixpk= 972, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 737, 738, 739,
 igr2=1035,1036,1037,
 &end
#
#    0 AMB  20-2:973     62 THR  MG2         4.00    (#    973:20        Single  0.00, 0.00  )
 &rst
  ixpk= 973, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1371, 996, 997,
 igr2=1035,1036,1037,
 &end
#
#   65 VAL  HA           65 VAL  MGY         3.00    (#    976:20        Unique  2.18, 3.16 A)
 &rst
  ixpk= 976, nxpk= 20, iat=1076,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#   80 VAL  HB           65 VAL  MGY         4.50    (#    977:20        Unique  1.96, 3.81 A)
 &rst
  ixpk= 977, nxpk= 20, iat=1302,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#    9 THR  HB            9 THR  MG2         3.00    (#    978:20        Unique  2.24, 2.64 A)
 &rst
  ixpk= 978, nxpk= 20, iat= 128,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 130, 131, 132,
 &end
#
#    6 ARG  HD+           9 THR  MG2         4.50    (#    979:20        Unique  1.94, 3.55 A)
 &rst
  ixpk= 979, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  83,  84,
 igr2= 130, 131, 132,
 &end
#
#  113 ILE  HA           97 LEU  MDX         4.00    (#    980:20        Unique  1.92, 4.37 A)
 &rst
  ixpk= 980, nxpk= 20, iat=1768,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1550,1551,1552,1554,1555,1556,
 &end
#
#   80 VAL  MGX          97 LEU  MDX         4.00    (#    981:20        Unique  1.97, 4.81 A)
 &rst
  ixpk= 981, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1304,1305,1306,1308,1309,1310,
 igr2=1550,1551,1552,1554,1555,1556,
 &end
#
#  120 LEU  HB+         120 LEU  MDX         3.00    (#    982:20        Unique  1.92, 3.27 A)
 &rst
  ixpk= 982, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1899,1900,
 igr2=1904,1905,1906,1908,1909,1910,
 &end
#
#  120 LEU  HB-         120 LEU  MDX         3.00    (#    983:20        Unique  1.92, 3.27 A)
 &rst
  ixpk= 983, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1899,1900,
 igr2=1904,1905,1906,1908,1909,1910,
 &end
#
#   96 LYS  HD+          95 ALA  MB          6.50    (#    984:20        Unique  3.76, 5.32 A)
 &rst
  ixpk= 984, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
 igr1=1529,1530,
 igr2=1513,1514,1515,
 &end
#
#    0 AMB  20-2:985     95 ALA  MB          6.00    (#    985:20        Single  0.00, 0.00  )
 &rst
  ixpk= 985, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.97, r4=10.47,
 igr1=1526,1527,1501,1502,1503,1545,1546,
 igr2=1513,1514,1515,
 &end
#
#   82 VAL  MGX          95 ALA  MB          7.00    (#    986:20        Unique  4.85, 7.51 A)
 &rst
  ixpk= 986, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.33, r4=11.83,
 igr1=1335,1336,1337,1339,1340,1341,
 igr2=1513,1514,1515,
 &end
#
#    0 AMB  20-2:987      0 AMB  20-1:987    5.00    (#    987:20        Double  0.00, 0.00  )
 &rst
  ixpk= 987, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 923, 946,
 igr2= 925, 926, 927, 950, 951, 952,
 &end
#
#   57 THR  HB            0 AMB  20-1:988    5.00    (#    988:20        Single  0.00, 0.00  )
 &rst
  ixpk= 988, nxpk= 20, iat= 948,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 950, 951, 952, 925, 926, 927,
 &end
#
#    0 AMB  20-2:990     97 LEU  MDX         3.00    (#    990:20        Single  0.00, 0.00  )
 &rst
  ixpk= 990, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=1127,1128,1129,1548,1523,1524,
 igr2=1550,1551,1552,1554,1555,1556,
 &end
#
#    0 AMB  20-2:994    109 THR  MG2         3.00    (#    994:20        Single  0.00, 0.00  )
 &rst
  ixpk= 994, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 647, 648, 649, 651, 652, 653, 647, 648, 649, 651,
       652, 653,
 igr2=1716,1717,1718,
 &end
#
#    0 AMB  20-2:995      0 AMB  20-1:995    6.00    (#    995:20        Double  0.00, 0.00  )
 &rst
  ixpk= 995, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1= 901, 902, 981, 982,
 igr2= 925, 926, 927, 950, 951, 952,
 &end
#
#   16 THR  HA           16 THR  MG2         3.00    (#    996:20        Unique  2.53, 3.25 A)
 &rst
  ixpk= 996, nxpk= 20, iat= 254,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 258, 259, 260,
 &end
#
#   16 THR  HB           16 THR  MG2         3.00    (#    997:20        Unique  2.36, 2.64 A)
 &rst
  ixpk= 997, nxpk= 20, iat= 256,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 258, 259, 260,
 &end
#
#   15 GLU  HG+          16 THR  MG2         4.00    (#    998:20        Unique  1.98, 3.19 A)
 &rst
  ixpk= 998, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 244, 245,
 igr2= 258, 259, 260,
 &end
#
#   15 GLU  HG-          16 THR  MG2         3.00    (#    999:20        Unique  1.98, 3.19 A)
 &rst
  ixpk= 999, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 244, 245,
 igr2= 258, 259, 260,
 &end
#
#   15 GLU  HB-          16 THR  MG2         3.00    (#   1000:20        Unique  3.26, 4.76 A)
 &rst
  ixpk= 1000, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 241, 242,
 igr2= 258, 259, 260,
 &end
#
#  122 ARG  HD+           4 VAL  MGY         4.00    (#   1001:20        Unique  2.10, 4.66 A)
 &rst
  ixpk= 1001, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1934,1935,
 igr2=  48,  49,  50,  52,  53,  54,
 &end
#
#   83 ALA  MB           92 VAL  MGY         3.00    (#   1003:20        Unique  1.92, 5.30 A)
 &rst
  ixpk= 1003, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1349,1350,1351,
 igr2=1464,1465,1466,1468,1469,1470,
 &end
#
#  105 VAL  HB          109 THR  MG2         4.00    (#   1004:20        Unique  2.07, 3.09 A)
 &rst
  ixpk= 1004, nxpk= 20, iat=1662,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1716,1717,1718,
 &end
#
#    4 VAL  HA            4 VAL  MGY         3.00    (#   1005:20        Unique  2.08, 3.20 A)
 &rst
  ixpk= 1005, nxpk= 20, iat=  44,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=  48,  49,  50,  52,  53,  54,
 &end
#
#  121 ALA  HA            4 VAL  MGY         6.00    (#   1007:20        Unique  5.87, 7.35 A)
 &rst
  ixpk= 1007, nxpk= 20, iat=1916,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=  48,  49,  50,  52,  53,  54,
 &end
#
#    4 VAL  HB            4 VAL  MGY         3.00    (#   1009:20        Unique  2.24, 2.63 A)
 &rst
  ixpk= 1009, nxpk= 20, iat=  46,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=  48,  49,  50,  52,  53,  54,
 &end
#
#  121 ALA  MB            4 VAL  MGY         3.00    (#   1010:20        Unique  3.19, 5.70 A)
 &rst
  ixpk= 1010, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1918,1919,1920,
 igr2=  48,  49,  50,  52,  53,  54,
 &end
#
#   16 THR  HA           20 VAL  MGY         4.00    (#   1011:20        Unique  1.97, 4.29 A)
 &rst
  ixpk= 1011, nxpk= 20, iat= 254,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 325, 326, 327, 329, 330, 331,
 &end
#
#   16 THR  HB           20 VAL  MGY         5.00    (#   1012:20        Unique  2.68, 5.17 A)
 &rst
  ixpk= 1012, nxpk= 20, iat= 256,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 325, 326, 327, 329, 330, 331,
 &end
#
#   20 VAL  HA           20 VAL  MGY         3.00    (#   1013:20        Unique  2.24, 3.13 A)
 &rst
  ixpk= 1013, nxpk= 20, iat= 321,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 325, 326, 327, 329, 330, 331,
 &end
#
#   21 ASP  HB-          20 VAL  MGY         6.00    (#   1014:20        Unique  2.31, 5.54 A)
 &rst
  ixpk= 1014, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 339, 340,
 igr2= 325, 326, 327, 329, 330, 331,
 &end
#
#   20 VAL  HB           20 VAL  MGY         3.00    (#   1015:20        Unique  2.23, 2.63 A)
 &rst
  ixpk= 1015, nxpk= 20, iat= 323,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 325, 326, 327, 329, 330, 331,
 &end
#
#   92 VAL  HB           92 VAL  MGX         3.00    (#   1017:20        Unique  2.30, 2.63 A)
 &rst
  ixpk= 1017, nxpk= 20, iat=1462,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1464,1465,1466,1468,1469,1470,
 &end
#
#   46 GLY  HA+         102 ALA  MB          5.00    (#   1018:20        Unique  4.43, 5.38 A)
 &rst
  ixpk= 1018, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 745, 746,
 igr2=1621,1622,1623,
 &end
#
#    0 AMB  20-2:1019   102 ALA  MB          3.00    (#   1019:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1019, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1=1664,1665,1666,1668,1669,1670,1779,1780,1781,
 igr2=1621,1622,1623,
 &end
#
#   65 VAL  HA           65 VAL  MGX         3.00    (#   1020:20        Unique  2.18, 3.16 A)
 &rst
  ixpk= 1020, nxpk= 20, iat=1076,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#   80 VAL  HB           65 VAL  MGX         4.50    (#   1021:20        Unique  1.96, 3.81 A)
 &rst
  ixpk= 1021, nxpk= 20, iat=1302,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#   82 VAL  HB           65 VAL  MGX         4.00    (#   1022:20        Unique  3.03, 5.35 A)
 &rst
  ixpk= 1022, nxpk= 20, iat=1333,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#    0 AMB  20-2:1023    65 VAL  MGX         4.00    (#   1023:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1023, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=1094,1095,1593,1594,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#    0 AMB  20-2:1024    65 VAL  MGX         4.00    (#   1024:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1024, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
 igr1=1593,1594,1621,1622,1623,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#   27 GLU  HA           22 ALA  MB          4.00    (#   1031:20        Unique  3.28, 4.14 A)
 &rst
  ixpk= 1031, nxpk= 20, iat= 423,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 351, 352, 353,
 &end
#
#   28 ARG  HA           22 ALA  MB          3.00    (#   1032:20        Unique  2.03, 3.22 A)
 &rst
  ixpk= 1032, nxpk= 20, iat= 438,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 351, 352, 353,
 &end
#
#    0 AMB  20-2:1033    22 ALA  MB          4.00    (#   1033:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1033, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 359, 337,
 igr2= 351, 352, 353,
 &end
#
#   19 ILE  HA           22 ALA  MB          3.00    (#   1034:20        Unique  2.84, 3.84 A)
 &rst
  ixpk= 1034, nxpk= 20, iat= 302,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 351, 352, 353,
 &end
#
#   19 ILE  QG2          22 ALA  MB          3.00    (#   1035:20        Unique  1.96, 3.51 A)
 &rst
  ixpk= 1035, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 306, 307, 308,
 igr2= 351, 352, 353,
 &end
#
#   22 ALA  HA           22 ALA  MB          3.00    (#   1036:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 1036, nxpk= 20, iat= 349,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 351, 352, 353,
 &end
#
#   19 ILE  HB           22 ALA  MB          3.00    (#   1038:20        Unique  1.96, 3.00 A)
 &rst
  ixpk= 1038, nxpk= 20, iat= 304,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 351, 352, 353,
 &end
#
#   27 GLU  HG-          22 ALA  MB          5.00    (#   1040:20        Unique  4.16, 5.32 A)
 &rst
  ixpk= 1040, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 428, 429,
 igr2= 351, 352, 353,
 &end
#
#   20 VAL  HA           20 VAL  MGX         3.00    (#   1042:20        Unique  2.24, 3.13 A)
 &rst
  ixpk= 1042, nxpk= 20, iat= 321,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 325, 326, 327, 329, 330, 331,
 &end
#
#   20 VAL  HB           20 VAL  MGX         3.00    (#   1043:20        Unique  2.23, 2.63 A)
 &rst
  ixpk= 1043, nxpk= 20, iat= 323,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 325, 326, 327, 329, 330, 331,
 &end
#
#    2 ALA  HA            2 ALA  MB          3.00    (#   1044:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 1044, nxpk= 20, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=  25,  26,  27,
 &end
#
#  122 ARG  HD+           4 VAL  MGX         3.00    (#   1049:20        Unique  2.10, 4.66 A)
 &rst
  ixpk= 1049, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1934,1935,
 igr2=  48,  49,  50,  52,  53,  54,
 &end
#
#    4 VAL  HB            4 VAL  MGX         3.00    (#   1050:20        Unique  2.24, 2.63 A)
 &rst
  ixpk= 1050, nxpk= 20, iat=  46,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=  48,  49,  50,  52,  53,  54,
 &end
#
#    4 VAL  HA            4 VAL  MGX         3.00    (#   1051:20        Unique  2.08, 3.20 A)
 &rst
  ixpk= 1051, nxpk= 20, iat=  44,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=  48,  49,  50,  52,  53,  54,
 &end
#
#  118 TYR  HA            4 VAL  MGX         4.00    (#   1052:20        Unique  2.40, 4.07 A)
 &rst
  ixpk= 1052, nxpk= 20, iat=1852,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=  48,  49,  50,  52,  53,  54,
 &end
#
#    0 AMB  20-2:1053     4 VAL  MGX         3.00    (#   1053:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1053, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=  25,  26,  27,1918,1919,1920,
 igr2=  48,  49,  50,  52,  53,  54,
 &end
#
#   30 MET  HA           30 MET  ME          3.00    (#   1054:20        Unique  1.99, 3.01 A)
 &rst
  ixpk= 1054, nxpk= 20, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 481, 482, 483,
 &end
#
#   75 LEU  HA           30 MET  ME          3.00    (#   1055:20        Unique  1.94, 3.29 A)
 &rst
  ixpk= 1055, nxpk= 20, iat=1209,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 481, 482, 483,
 &end
#
#   74 CYS  HB+          30 MET  ME          4.00    (#   1056:20        Unique  2.71, 4.53 A)
 &rst
  ixpk= 1056, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1200,1201,
 igr2= 481, 482, 483,
 &end
#
#   33 TYR  HB-          30 MET  ME          5.00    (#   1057:20        Unique  3.79, 5.15 A)
 &rst
  ixpk= 1057, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 522, 523,
 igr2= 481, 482, 483,
 &end
#
#   30 MET  HB+          30 MET  ME          5.00    (#   1058:20        Unique  3.72, 4.57 A)
 &rst
  ixpk= 1058, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 474, 475,
 igr2= 481, 482, 483,
 &end
#
#   30 MET  HB-          30 MET  ME          4.00    (#   1059:20        Unique  3.72, 4.57 A)
 &rst
  ixpk= 1059, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 474, 475,
 igr2= 481, 482, 483,
 &end
#
#    0 AMB  20-2:1060    30 MET  ME          3.00    (#   1060:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1060, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1=1216,1217,1218,1220,1221,1222, 464, 465, 466,
 igr2= 481, 482, 483,
 &end
#
#   75 LEU  MDX          30 MET  ME          3.00    (#   1061:20        Unique  1.98, 4.93 A)
 &rst
  ixpk= 1061, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1216,1217,1218,1220,1221,1222,
 igr2= 481, 482, 483,
 &end
#
#   93 TYR  HB+          82 VAL  MGX         6.00    (#   1062:20        Unique  2.65, 5.87 A)
 &rst
  ixpk= 1062, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1478,1479,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#   63 VAL  HB           82 VAL  MGX         4.00    (#   1063:20        Unique  1.81, 3.13 A)
 &rst
  ixpk= 1063, nxpk= 20, iat=1047,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#   82 VAL  HB           82 VAL  MGX         3.00    (#   1064:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 1064, nxpk= 20, iat=1333,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#   63 VAL  MGY          82 VAL  MGX         3.00    (#   1065:20        Unique  1.92, 4.21 A)
 &rst
  ixpk= 1065, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=1049,1050,1051,1053,1054,1055,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#   93 TYR  HB-          82 VAL  MGX         6.00    (#   1067:20        Unique  2.65, 5.87 A)
 &rst
  ixpk= 1067, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1478,1479,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#    0 AMB  20-2:1069    19 ILE  QG2         4.00    (#   1069:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1069, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 496, 423,
 igr2= 306, 307, 308,
 &end
#
#   28 ARG  HA           19 ILE  QG2         3.00    (#   1070:20        Unique  1.89, 2.66 A)
 &rst
  ixpk= 1070, nxpk= 20, iat= 438,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 306, 307, 308,
 &end
#
#   31 GLY  HA-          19 ILE  QG2         5.00    (#   1071:20        Unique  1.92, 4.00 A)
 &rst
  ixpk= 1071, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 489, 490,
 igr2= 306, 307, 308,
 &end
#
#   27 GLU  HB-          19 ILE  QG2         6.00    (#   1072:20        Unique  4.45, 5.90 A)
 &rst
  ixpk= 1072, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 425, 426,
 igr2= 306, 307, 308,
 &end
#
#   19 ILE  HG1-         19 ILE  QG2         4.00    (#   1074:20        Unique  2.23, 3.50 A)
 &rst
  ixpk= 1074, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 310, 311,
 igr2= 306, 307, 308,
 &end
#
#   22 ALA  MB           19 ILE  QG2         3.00    (#   1075:20        Unique  1.96, 3.51 A)
 &rst
  ixpk= 1075, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 351, 352, 353,
 igr2= 306, 307, 308,
 &end
#
#   18 ILE  QG2          19 ILE  QG2         5.00    (#   1076:20        Unique  1.93, 4.65 A)
 &rst
  ixpk= 1076, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 287, 288, 289,
 igr2= 306, 307, 308,
 &end
#
#  118 TYR  HA          121 ALA  MB          3.00    (#   1077:20        Unique  2.05, 3.34 A)
 &rst
  ixpk= 1077, nxpk= 20, iat=1852,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1918,1919,1920,
 &end
#
#  121 ALA  HA          121 ALA  MB          3.00    (#   1078:20        Unique  2.31, 2.63 A)
 &rst
  ixpk= 1078, nxpk= 20, iat=1916,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1918,1919,1920,
 &end
#
#   14 ILE  HB           14 ILE  QG2         3.00    (#   1079:20        Unique  2.32, 2.63 A)
 &rst
  ixpk= 1079, nxpk= 20, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 224, 225, 226,
 &end
#
#   15 GLU  HB-          14 ILE  QG2         5.00    (#   1080:20        Unique  3.36, 4.64 A)
 &rst
  ixpk= 1080, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 241, 242,
 igr2= 224, 225, 226,
 &end
#
#   14 ILE  QD1          14 ILE  QG2         3.00    (#   1081:20        Unique  1.95, 3.51 A)
 &rst
  ixpk= 1081, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 231, 232, 233,
 igr2= 224, 225, 226,
 &end
#
#   18 ILE  QD1          14 ILE  QG2         5.50    (#   1082:20        Unique  1.94, 4.93 A)
 &rst
  ixpk= 1082, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 294, 295, 296,
 igr2= 224, 225, 226,
 &end
#
#   18 ILE  QG2          14 ILE  QG2         6.00    (#   1083:20        Unique  3.62, 6.41 A)
 &rst
  ixpk= 1083, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 287, 288, 289,
 igr2= 224, 225, 226,
 &end
#
#    0 AMB  20-2:1085    29 ALA  MB          4.00    (#   1085:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1085, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1= 522, 523, 498, 499,2002,2003,
 igr2= 464, 465, 466,
 &end
#
#   29 ALA  HA           29 ALA  MB          3.00    (#   1086:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 1086, nxpk= 20, iat= 462,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 464, 465, 466,
 &end
#
#    0 AMB  20-2:1087   105 VAL  MGX         5.00    (#   1087:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1087, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1648, 659,
 igr2=1664,1665,1666,1668,1669,1670,
 &end
#
#  109 THR  HB          105 VAL  MGX         4.00    (#   1088:20        Unique  2.91, 4.07 A)
 &rst
  ixpk= 1088, nxpk= 20, iat=1714,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1664,1665,1666,1668,1669,1670,
 &end
#
#  110 GLN  HG+         105 VAL  MGX         3.50    (#   1089:20        Unique  2.65, 5.34 A)
 &rst
  ixpk= 1089, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1731,1732,
 igr2=1664,1665,1666,1668,1669,1670,
 &end
#
#    0 AMB  20-2:1090   105 VAL  MGX         4.00    (#   1090:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1090, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1728,1729,1662,
 igr2=1664,1665,1666,1668,1669,1670,
 &end
#
#  102 ALA  MB          105 VAL  MGX         3.00    (#   1091:20        Unique  1.90, 3.42 A)
 &rst
  ixpk= 1091, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1621,1622,1623,
 igr2=1664,1665,1666,1668,1669,1670,
 &end
#
#  113 ILE  QD1         112 ALA  MB          4.50    (#   1092:20        Unique  3.39, 5.68 A)
 &rst
  ixpk= 1092, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1779,1780,1781,
 igr2=1760,1761,1762,
 &end
#
#    0 AMB  20-2:1093     0 AMB  20-1:1093   3.00    (#   1093:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1093, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 583,1768, 640,1833,
 igr2=1760,1761,1762,1918,1919,1920,
 &end
#
#   39 THR  HB          112 ALA  MB          4.00    (#   1094:20        Unique  3.06, 3.83 A)
 &rst
  ixpk= 1094, nxpk= 20, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1760,1761,1762,
 &end
#
#    0 AMB  20-2:1095     0 AMB  20-1:1095   4.00    (#   1095:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1095, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=  46,1838,1728,1729,
 igr2=1918,1919,1920,1760,1761,1762,
 &end
#
#    0 AMB  20-2:1096   112 ALA  MB          4.00    (#   1096:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1096, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 645,1548,
 igr2=1760,1761,1762,
 &end
#
#   40 LEU  MDY         112 ALA  MB          3.00    (#   1097:20        Unique  1.98, 4.34 A)
 &rst
  ixpk= 1097, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 647, 648, 649, 651, 652, 653,
 igr2=1760,1761,1762,
 &end
#
#    0 AMB  20-2:1098   112 ALA  MB          3.00    (#   1098:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1098, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1= 630, 631, 632, 590, 591, 592, 594, 595, 596,
 igr2=1760,1761,1762,
 &end
#
#   80 VAL  HB           80 VAL  MGX         3.00    (#   1101:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 1101, nxpk= 20, iat=1302,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1304,1305,1306,1308,1309,1310,
 &end
#
#   36 LEU  MDY          80 VAL  MGX         4.80    (#   1102:20        Unique  2.97, 7.07 A)
 &rst
  ixpk= 1102, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.72, r4= 9.22,
 igr1= 590, 591, 592, 594, 595, 596,
 igr2=1304,1305,1306,1308,1309,1310,
 &end
#
#    0 AMB  20-2:1103   114 ALA  MB          5.00    (#   1103:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1103, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1726,1768,
 igr2=1789,1790,1791,
 &end
#
#    0 AMB  20-2:1104   114 ALA  MB          4.80    (#   1104:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1104, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.26, r4= 7.76,
 igr1=1731,1732,1748,1749,
 igr2=1789,1790,1791,
 &end
#
#  111 GLU  HA          114 ALA  MB          3.00    (#   1105:20        Unique  2.73, 3.85 A)
 &rst
  ixpk= 1105, nxpk= 20, iat=1743,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1789,1790,1791,
 &end
#
#  114 ALA  HA          114 ALA  MB          3.00    (#   1106:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 1106, nxpk= 20, iat=1787,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1789,1790,1791,
 &end
#
#  117 LEU  MDX         114 ALA  MB          4.00    (#   1108:20        Unique  3.30, 6.41 A)
 &rst
  ixpk= 1108, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1840,1841,1842,1844,1845,1846,
 igr2=1789,1790,1791,
 &end
#
#   85 ILE  HA           85 ILE  QG2         3.00    (#   1109:20        Unique  2.20, 3.00 A)
 &rst
  ixpk= 1109, nxpk= 20, iat=1369,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1373,1374,1375,
 &end
#
#   85 ILE  HB           85 ILE  QG2         3.00    (#   1110:20        Unique  2.23, 2.63 A)
 &rst
  ixpk= 1110, nxpk= 20, iat=1371,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1373,1374,1375,
 &end
#
#   85 ILE  HG1-         85 ILE  QG2         3.00    (#   1111:20        Unique  2.26, 3.48 A)
 &rst
  ixpk= 1111, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1377,1378,
 igr2=1373,1374,1375,
 &end
#
#   85 ILE  HG1+         85 ILE  QG2         3.00    (#   1112:20        Unique  2.26, 3.48 A)
 &rst
  ixpk= 1112, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1377,1378,
 igr2=1373,1374,1375,
 &end
#
#   69 ALA  HA           69 ALA  MB          3.00    (#   1113:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 1113, nxpk= 20, iat=1135,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1137,1138,1139,
 &end
#
#   70 PRO  HD-          69 ALA  MB          3.00    (#   1114:20        Unique  1.88, 3.05 A)
 &rst
  ixpk= 1114, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1144,1145,
 igr2=1137,1138,1139,
 &end
#
#   70 PRO  HD+          69 ALA  MB          3.00    (#   1115:20        Unique  1.88, 3.05 A)
 &rst
  ixpk= 1115, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1144,1145,
 igr2=1137,1138,1139,
 &end
#
#    0 AMB  20-2:1116    69 ALA  MB          3.00    (#   1116:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1116, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1281,1282,1281,1282,
 igr2=1137,1138,1139,
 &end
#
#    0 AMB  20-2:1117    69 ALA  MB          3.00    (#   1117:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1117, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1185,1186,1188,1189,
 igr2=1137,1138,1139,
 &end
#
#   81 GLU  HG+          69 ALA  MB          4.00    (#   1118:20        Unique  2.02, 4.56 A)
 &rst
  ixpk= 1118, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1321,1322,
 igr2=1137,1138,1139,
 &end
#
#   49 LYS  HA           58 ILE  QG2         3.00    (#   1120:20        Unique  2.25, 3.41 A)
 &rst
  ixpk= 1120, nxpk= 20, iat= 798,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 964, 965, 966,
 &end
#
#   58 ILE  HA           58 ILE  QG2         3.00    (#   1121:20        Unique  2.60, 3.35 A)
 &rst
  ixpk= 1121, nxpk= 20, iat= 960,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 964, 965, 966,
 &end
#
#   49 LYS  HE+          58 ILE  QG2         4.50    (#   1122:20        Unique  1.99, 3.71 A)
 &rst
  ixpk= 1122, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 809, 810,
 igr2= 964, 965, 966,
 &end
#
#  101 GLU  HB+          58 ILE  QG2         5.90    (#   1123:20        Unique  6.59, 8.08 A)
 &rst
  ixpk= 1123, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45,
 igr1=1606,1607,
 igr2= 964, 965, 966,
 &end
#
#   49 LYS  HG+          58 ILE  QG2         3.20    (#   1124:20        Unique  3.82, 5.35 A)
 &rst
  ixpk= 1124, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1= 803, 804,
 igr2= 964, 965, 966,
 &end
#
#    0 AMB  20-2:1125    58 ILE  QG2         4.00    (#   1125:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1125, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1= 803, 804, 822, 823, 847, 848,
 igr2= 964, 965, 966,
 &end
#
#   48 TRP  HB+          63 VAL  MGX         3.00    (#   1126:20        Unique  2.28, 4.39 A)
 &rst
  ixpk= 1126, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 776, 777,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#   48 TRP  HB-          63 VAL  MGX         4.00    (#   1127:20        Unique  2.28, 4.39 A)
 &rst
  ixpk= 1127, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 776, 777,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#   82 VAL  HB           63 VAL  MGX         5.00    (#   1128:20        Unique  2.00, 4.44 A)
 &rst
  ixpk= 1128, nxpk= 20, iat=1333,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#   82 VAL  MGX          63 VAL  MGX         3.00    (#   1129:20        Unique  1.92, 4.21 A)
 &rst
  ixpk= 1129, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=1335,1336,1337,1339,1340,1341,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#    0 AMB  20-2:1131   103 ILE  QG2         4.00    (#   1131:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1131, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr1= 737, 738, 739, 730, 731,
 igr2=1633,1634,1635,
 &end
#
#  113 ILE  HA          113 ILE  QG2         3.00    (#   1132:20        Unique  2.38, 3.18 A)
 &rst
  ixpk= 1132, nxpk= 20, iat=1768,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1772,1773,1774,
 &end
#
#  113 ILE  HB          113 ILE  QG2         3.00    (#   1133:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 1133, nxpk= 20, iat=1770,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1772,1773,1774,
 &end
#
#  113 ILE  QD1         113 ILE  QG2         3.00    (#   1134:20        Unique  2.64, 4.26 A)
 &rst
  ixpk= 1134, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1779,1780,1781,
 igr2=1772,1773,1774,
 &end
#
#  114 ALA  HA          113 ILE  QG2         4.00    (#   1135:20        Unique  2.99, 4.22 A)
 &rst
  ixpk= 1135, nxpk= 20, iat=1787,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1772,1773,1774,
 &end
#
#  113 ILE  HG1+        113 ILE  QG2         3.00    (#   1136:20        Unique  2.01, 3.27 A)
 &rst
  ixpk= 1136, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1776,1777,
 igr2=1772,1773,1774,
 &end
#
#  117 LEU  HB+         113 ILE  QG2         5.00    (#   1137:20        Unique  4.50, 5.80 A)
 &rst
  ixpk= 1137, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1835,1836,
 igr2=1772,1773,1774,
 &end
#
#  103 ILE  HA          103 ILE  QG2         3.00    (#   1138:20        Unique  2.36, 3.32 A)
 &rst
  ixpk= 1138, nxpk= 20, iat=1629,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1633,1634,1635,
 &end
#
#  104 ASP  HB+         103 ILE  QG2         3.00    (#   1139:20        Unique  2.29, 3.76 A)
 &rst
  ixpk= 1139, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1650,1651,
 igr2=1633,1634,1635,
 &end
#
#    0 AMB  20-2:1140   103 ILE  QG2         3.00    (#   1140:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1140, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 733, 734,1650,1651,
 igr2=1633,1634,1635,
 &end
#
#  103 ILE  HB          103 ILE  QG2         3.00    (#   1141:20        Unique  2.29, 2.63 A)
 &rst
  ixpk= 1141, nxpk= 20, iat=1631,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1633,1634,1635,
 &end
#
#   46 GLY  HA+         100 ILE  QG2         4.00    (#   1142:20        Unique  2.36, 4.37 A)
 &rst
  ixpk= 1142, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 745, 746,
 igr2=1589,1590,1591,
 &end
#
#  100 ILE  HB          100 ILE  QG2         3.00    (#   1143:20        Unique  2.38, 2.63 A)
 &rst
  ixpk= 1143, nxpk= 20, iat=1587,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1589,1590,1591,
 &end
#
#  100 ILE  HG1+        100 ILE  QG2         3.50    (#   1144:20        Unique  2.37, 3.41 A)
 &rst
  ixpk= 1144, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1593,1594,
 igr2=1589,1590,1591,
 &end
#
#  100 ILE  QD1         100 ILE  QG2         3.00    (#   1145:20        Unique  1.90, 3.87 A)
 &rst
  ixpk= 1145, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1596,1597,1598,
 igr2=1589,1590,1591,
 &end
#
#   33 TYR  HA           68 MET  ME          3.00    (#   1152:20        Unique  2.33, 3.62 A)
 &rst
  ixpk= 1152, nxpk= 20, iat= 520,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1127,1128,1129,
 &end
#
#   68 MET  HG+          68 MET  ME          4.00    (#   1153:20        Unique  2.21, 3.64 A)
 &rst
  ixpk= 1153, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1123,1124,
 igr2=1127,1128,1129,
 &end
#
#   36 LEU  HB+          68 MET  ME          3.00    (#   1155:20        Unique  1.95, 4.64 A)
 &rst
  ixpk= 1155, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 585, 586,
 igr2=1127,1128,1129,
 &end
#
#   69 ALA  MB           68 MET  ME          5.00    (#   1156:20        Unique  4.86, 6.69 A)
 &rst
  ixpk= 1156, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1137,1138,1139,
 igr2=1127,1128,1129,
 &end
#
#    0 AMB  20-2:1157    68 MET  ME          4.00    (#   1157:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1157, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 590, 591, 592, 594, 595, 596,1304,1305,1306,1308,
      1309,1310,
 igr2=1127,1128,1129,
 &end
#
#   36 LEU  MDX          68 MET  ME          4.00    (#   1158:20        Unique  1.85, 4.83 A)
 &rst
  ixpk= 1158, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1= 590, 591, 592, 594, 595, 596,
 igr2=1127,1128,1129,
 &end
#
#   11 GLU  HA           14 ILE  QD1         4.00    (#   1159:20        Unique  4.57, 6.04 A)
 &rst
  ixpk= 1159, nxpk= 20, iat= 164,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 231, 232, 233,
 &end
#
#   10 ARG  HD+          14 ILE  QD1         4.00    (#   1160:20        Unique  1.97, 4.67 A)
 &rst
  ixpk= 1160, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 148, 149,
 igr2= 231, 232, 233,
 &end
#
#   14 ILE  HB           14 ILE  QD1         3.00    (#   1161:20        Unique  2.38, 3.24 A)
 &rst
  ixpk= 1161, nxpk= 20, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 231, 232, 233,
 &end
#
#    0 AMB  20-2:1162    14 ILE  QD1         3.00    (#   1162:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1162, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 224, 225, 226, 142, 143,
 igr2= 231, 232, 233,
 &end
#
#   18 ILE  QD1          14 ILE  QD1         5.00    (#   1163:20        Unique  2.14, 4.14 A)
 &rst
  ixpk= 1163, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 294, 295, 296,
 igr2= 231, 232, 233,
 &end
#
#  110 GLN  HA          113 ILE  QD1         3.00    (#   1164:20        Unique  1.96, 3.15 A)
 &rst
  ixpk= 1164, nxpk= 20, iat=1726,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1779,1780,1781,
 &end
#
#  113 ILE  HG1+        113 ILE  QD1         3.00    (#   1165:20        Unique  2.21, 2.62 A)
 &rst
  ixpk= 1165, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1776,1777,
 igr2=1779,1780,1781,
 &end
#
#  113 ILE  HB          113 ILE  QD1         3.00    (#   1166:20        Unique  2.03, 2.89 A)
 &rst
  ixpk= 1166, nxpk= 20, iat=1770,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1779,1780,1781,
 &end
#
#  112 ALA  MB          113 ILE  QD1         4.50    (#   1167:20        Unique  3.39, 5.68 A)
 &rst
  ixpk= 1167, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1760,1761,1762,
 igr2=1779,1780,1781,
 &end
#
#  113 ILE  QG2         113 ILE  QD1         3.00    (#   1168:20        Unique  2.64, 4.26 A)
 &rst
  ixpk= 1168, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1772,1773,1774,
 igr2=1779,1780,1781,
 &end
#
#   35 TYR  HB+          18 ILE  QG2         5.00    (#   1169:20        Unique  2.49, 4.65 A)
 &rst
  ixpk= 1169, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 564, 565,
 igr2= 287, 288, 289,
 &end
#
#   19 ILE  QG2          18 ILE  QG2         5.00    (#   1170:20        Unique  1.93, 4.65 A)
 &rst
  ixpk= 1170, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 306, 307, 308,
 igr2= 287, 288, 289,
 &end
#
#   18 ILE  HG1-         18 ILE  QG2         5.00    (#   1171:20        Unique  2.52, 3.51 A)
 &rst
  ixpk= 1171, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 291, 292,
 igr2= 287, 288, 289,
 &end
#
#   32 TRP  HA           18 ILE  QG2         4.50    (#   1172:20        Unique  1.93, 2.41 A)
 &rst
  ixpk= 1172, nxpk= 20, iat= 496,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 287, 288, 289,
 &end
#
#   18 ILE  HA           18 ILE  QG2         5.00    (#   1173:20        Unique  2.36, 3.20 A)
 &rst
  ixpk= 1173, nxpk= 20, iat= 283,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 287, 288, 289,
 &end
#
#   35 TYR  HB-          18 ILE  QG2         6.00    (#   1174:20        Unique  2.49, 4.65 A)
 &rst
  ixpk= 1174, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 564, 565,
 igr2= 287, 288, 289,
 &end
#
#   18 ILE  HB           18 ILE  QG2         4.00    (#   1175:20        Unique  2.26, 2.63 A)
 &rst
  ixpk= 1175, nxpk= 20, iat= 285,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 287, 288, 289,
 &end
#
#   18 ILE  QD1          18 ILE  QG2         5.00    (#   1176:20        Unique  1.94, 3.59 A)
 &rst
  ixpk= 1176, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 294, 295, 296,
 igr2= 287, 288, 289,
 &end
#
#  103 ILE  HA          103 ILE  QD1         4.00    (#   1177:20        Unique  2.30, 3.70 A)
 &rst
  ixpk= 1177, nxpk= 20, iat=1629,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1640,1641,1642,
 &end
#
#   46 GLY  HA+         103 ILE  QD1         5.00    (#   1178:20        Unique  1.97, 3.98 A)
 &rst
  ixpk= 1178, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 745, 746,
 igr2=1640,1641,1642,
 &end
#
#   47 LYS  HE+         103 ILE  QD1         4.00    (#   1179:20        Unique  2.38, 3.93 A)
 &rst
  ixpk= 1179, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 763, 764,
 igr2=1640,1641,1642,
 &end
#
#   45 MET  HG-         103 ILE  QD1         5.00    (#   1180:20        Unique  2.18, 5.11 A)
 &rst
  ixpk= 1180, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 733, 734,
 igr2=1640,1641,1642,
 &end
#
#   45 MET  HB-         103 ILE  QD1         5.00    (#   1181:20        Unique  4.41, 6.83 A)
 &rst
  ixpk= 1181, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 730, 731,
 igr2=1640,1641,1642,
 &end
#
#   45 MET  ME          103 ILE  QD1         4.00    (#   1182:20        Unique  1.96, 3.85 A)
 &rst
  ixpk= 1182, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 737, 738, 739,
 igr2=1640,1641,1642,
 &end
#
#    0 AMB  20-2:1183   103 ILE  QD1         3.00    (#   1183:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1183, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 760, 761,1637,1638,1631,
 igr2=1640,1641,1642,
 &end
#
#   62 THR  MG2         103 ILE  QD1         3.00    (#   1184:20        Unique  3.24, 6.14 A)
 &rst
  ixpk= 1184, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1035,1036,1037,
 igr2=1640,1641,1642,
 &end
#
#  103 ILE  HG1+        103 ILE  QD1         3.00    (#   1185:20        Unique  2.21, 2.62 A)
 &rst
  ixpk= 1185, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1637,1638,
 igr2=1640,1641,1642,
 &end
#
#   18 ILE  HA           18 ILE  QD1         6.00    (#   1186:20        Unique  2.32, 4.42 A)
 &rst
  ixpk= 1186, nxpk= 20, iat= 283,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 294, 295, 296,
 &end
#
#   17 GLU  HB+          18 ILE  QD1         6.00    (#   1187:20        Unique  4.01, 5.80 A)
 &rst
  ixpk= 1187, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 270, 271,
 igr2= 294, 295, 296,
 &end
#
#   18 ILE  HG1-         18 ILE  QD1         4.50    (#   1188:20        Unique  2.23, 2.62 A)
 &rst
  ixpk= 1188, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 291, 292,
 igr2= 294, 295, 296,
 &end
#
#   45 MET  HG-          85 ILE  QD1         5.00    (#   1189:20        Unique  4.46, 5.29 A)
 &rst
  ixpk= 1189, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 733, 734,
 igr2=1380,1381,1382,
 &end
#
#   45 MET  HG+          85 ILE  QD1         4.00    (#   1191:20        Unique  4.46, 5.29 A)
 &rst
  ixpk= 1191, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 733, 734,
 igr2=1380,1381,1382,
 &end
#
#   85 ILE  HB           85 ILE  QD1         3.00    (#   1192:20        Unique  2.46, 3.12 A)
 &rst
  ixpk= 1192, nxpk= 20, iat=1371,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1380,1381,1382,
 &end
#
#   64 GLU  HB-          85 ILE  QD1         3.00    (#   1193:20        Unique  2.72, 4.43 A)
 &rst
  ixpk= 1193, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1063,1064,
 igr2=1380,1381,1382,
 &end
#
#   85 ILE  HG1-         85 ILE  QD1         3.00    (#   1194:20        Unique  2.20, 2.62 A)
 &rst
  ixpk= 1194, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1377,1378,
 igr2=1380,1381,1382,
 &end
#
#    0 AMB  20-2:1195    85 ILE  QD1         3.00    (#   1195:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1195, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1=1035,1036,1037,1377,1378,
 igr2=1380,1381,1382,
 &end
#
#   49 LYS  HE+          58 ILE  QD1         5.00    (#   1196:20        Unique  2.77, 5.38 A)
 &rst
  ixpk= 1196, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 809, 810,
 igr2= 971, 972, 973,
 &end
#
#   58 ILE  HG1+         58 ILE  QD1         3.00    (#   1197:20        Unique  2.21, 2.62 A)
 &rst
  ixpk= 1197, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 968, 969,
 igr2= 971, 972, 973,
 &end
#
#   19 ILE  HA           19 ILE  QD1         4.00    (#   1198:20        Unique  3.78, 4.60 A)
 &rst
  ixpk= 1198, nxpk= 20, iat= 302,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 313, 314, 315,
 &end
#
#   19 ILE  HB           19 ILE  QD1         3.00    (#   1199:20        Unique  2.20, 3.54 A)
 &rst
  ixpk= 1199, nxpk= 20, iat= 304,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 313, 314, 315,
 &end
#
#   28 ARG  HB+          19 ILE  QD1         5.00    (#   1200:20        Unique  4.15, 6.49 A)
 &rst
  ixpk= 1200, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 440, 441,
 igr2= 313, 314, 315,
 &end
#
#   63 VAL  MGY         100 ILE  QD1         3.00    (#   1201:20        Unique  1.95, 4.52 A)
 &rst
  ixpk= 1201, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1049,1050,1051,1053,1054,1055,
 igr2=1596,1597,1598,
 &end
#
#  100 ILE  QG2         100 ILE  QD1         3.00    (#   1202:20        Unique  1.90, 3.87 A)
 &rst
  ixpk= 1202, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1589,1590,1591,
 igr2=1596,1597,1598,
 &end
#
#  100 ILE  HG1+        100 ILE  QD1         3.00    (#   1203:20        Unique  2.22, 2.62 A)
 &rst
  ixpk= 1203, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1593,1594,
 igr2=1596,1597,1598,
 &end
#
#    0 AMB  20-2:1204   100 ILE  QD1         5.00    (#   1204:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1204, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 776, 777, 745, 746,
 igr2=1596,1597,1598,
 &end
#
#  100 ILE  HG1-        100 ILE  QD1         3.00    (#   1205:20        Unique  2.22, 2.62 A)
 &rst
  ixpk= 1205, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1593,1594,
 igr2=1596,1597,1598,
 &end
#
#   58 ILE  HN           57 THR  HB          5.00    (#   1206:20        Unique  3.85, 4.33 A)
 &rst
  ixpk= 1206, nxpk= 20, iat= 958, 948, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   94 THR  HN           94 THR  HB          3.50    (#   1207:20        Unique  2.95, 3.06 A)
 &rst
  ixpk= 1207, nxpk= 20, iat=1495,1499, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   63 VAL  HN           62 THR  HB          4.50    (#   1208:20        Unique  3.81, 4.10 A)
 &rst
  ixpk= 1208, nxpk= 20, iat=1043,1033, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   62 THR  HN           62 THR  HB          3.00    (#   1209:20        Unique  2.68, 2.79 A)
 &rst
  ixpk= 1209, nxpk= 20, iat=1029,1033, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   62 THR  HA           62 THR  HB          4.00    (#   1210:20        Unique  2.96, 3.00 A)
 &rst
  ixpk= 1210, nxpk= 20, iat=1031,1033, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    9 THR  HN            9 THR  HB          3.30    (#   1211:20        Unique  2.25, 2.32 A)
 &rst
  ixpk= 1211, nxpk= 20, iat= 124, 128, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   10 ARG  HN            9 THR  HB          4.30    (#   1212:20        Unique  4.06, 4.12 A)
 &rst
  ixpk= 1212, nxpk= 20, iat= 138, 128, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  113 ILE  HN          113 ILE  HA          3.50    (#   1213:20        Unique  2.74, 2.75 A)
 &rst
  ixpk= 1213, nxpk= 20, iat=1766,1768, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    9 THR  HN            9 THR  HA          3.50    (#   1214:20        Unique  2.80, 2.85 A)
 &rst
  ixpk= 1214, nxpk= 20, iat= 124, 126, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   39 THR  HN           39 THR  HA          3.00    (#   1215:20        Unique  2.83, 2.87 A)
 &rst
  ixpk= 1215, nxpk= 20, iat= 624, 626, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   71 ASP  HN           70 PRO  HA          3.00    (#   1216:20        Unique  2.23, 2.35 A)
 &rst
  ixpk= 1216, nxpk= 20, iat=1157,1153, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:1217     0 AMB  20-1:1217   6.00    (#   1217:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1217, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 977, 862,
 igr2= 866, 867, 866, 867,
 &end
#
#    4 VAL  HN            3 SER  HB+         5.00    (#   1218:20        Unique  4.29, 4.49 A)
 &rst
  ixpk= 1218, nxpk= 20, iat=  42,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  35,  36,
 &end
#
#   17 GLU  HN           16 THR  HA          4.50    (#   1219:20        Unique  2.87, 2.95 A)
 &rst
  ixpk= 1219, nxpk= 20, iat= 266, 254, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   16 THR  HN           16 THR  HA          3.50    (#   1220:20        Unique  2.91, 2.93 A)
 &rst
  ixpk= 1220, nxpk= 20, iat= 252, 254, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   21 ASP  HN           20 VAL  HA          4.00    (#   1222:20        Unique  3.46, 3.53 A)
 &rst
  ixpk= 1222, nxpk= 20, iat= 335, 321, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   99 ASP  HN           98 SER  HB-         4.00    (#   1223:20        Unique  2.74, 3.58 A)
 &rst
  ixpk= 1223, nxpk= 20, iat=1571,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1564,1565,
 &end
#
#   20 VAL  HN           20 VAL  HA          2.80    (#   1224:20        Unique  2.28, 2.28 A)
 &rst
  ixpk= 1224, nxpk= 20, iat= 319, 321, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  20-2:1225    34 TYR  HA          4.00    (#   1225:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1225, nxpk= 20, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 600, 518,
 &end
#
#   86 GLY  HN           85 ILE  HA          3.80    (#   1227:20        Unique  2.61, 2.64 A)
 &rst
  ixpk= 1227, nxpk= 20, iat=1386,1369, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#   85 ILE  HN           85 ILE  HA          3.00    (#   1228:20        Unique  2.87, 2.89 A)
 &rst
  ixpk= 1228, nxpk= 20, iat=1367,1369, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   36 LEU  HN           35 TYR  HA          4.00    (#   1229:20        Unique  3.44, 3.47 A)
 &rst
  ixpk= 1229, nxpk= 20, iat= 581, 562, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   35 TYR  HD           35 TYR  HA          3.00    (#   1230:20        Unique  2.11, 3.68 A)
 &rst
  ixpk= 1230, nxpk= 20, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 568, 577,
 &end
#
#   58 ILE  HN           57 THR  HA          5.00    (#   1231:20        Unique  2.15, 2.85 A)
 &rst
  ixpk= 1231, nxpk= 20, iat= 958, 946, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:1232   118 TYR  HA          3.00    (#   1232:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1232, nxpk= 20, iat=  -1,1852, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1850,1914,1871,
 &end
#
#   32 TRP  HN           32 TRP  HA          3.50    (#   1233:20        Unique  2.70, 2.75 A)
 &rst
  ixpk= 1233, nxpk= 20, iat= 494, 496, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   35 TYR  HN           35 TYR  HA          3.00    (#   1234:20        Unique  2.80, 2.85 A)
 &rst
  ixpk= 1234, nxpk= 20, iat= 560, 562, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  124 TYR  HD          119 TRP  HA          5.50    (#   1236:20        Unique  5.93, 7.31 A)
 &rst
  ixpk= 1236, nxpk= 20, iat=  -1,1873, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1963,1972,
 &end
#
#    0 AMB  20-2:1237    58 ILE  HA          4.00    (#   1237:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1237, nxpk= 20, iat=  -1, 960, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 977, 862,
 &end
#
#    0 AMB  20-2:1238   103 ILE  HA          2.80    (#   1238:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1238, nxpk= 20, iat=  -1,1629, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1646,1627,
 &end
#
#   28 ARG  HN           28 ARG  HA          3.00    (#   1239:20        Unique  2.75, 2.77 A)
 &rst
  ixpk= 1239, nxpk= 20, iat= 436, 438, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    4 VAL  HN            4 VAL  HA          3.00    (#   1240:20        Unique  2.91, 2.93 A)
 &rst
  ixpk= 1240, nxpk= 20, iat=  42,  44, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    5 GLU  HN            4 VAL  HA          4.50    (#   1241:20        Unique  2.92, 3.05 A)
 &rst
  ixpk= 1241, nxpk= 20, iat=  58,  44, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   19 ILE  HN           19 ILE  HA          3.50    (#   1243:20        Unique  2.85, 2.92 A)
 &rst
  ixpk= 1243, nxpk= 20, iat= 300, 302, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   20 VAL  HN           19 ILE  HA          4.00    (#   1244:20        Unique  3.41, 3.51 A)
 &rst
  ixpk= 1244, nxpk= 20, iat= 319, 302, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:1245    26 GLU  HA          3.20    (#   1245:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1245, nxpk= 20, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr1= 406, 436,
 &end
#
#   10 ARG  HN           10 ARG  HA          3.50    (#   1246:20        Unique  2.94, 2.94 A)
 &rst
  ixpk= 1246, nxpk= 20, iat= 138, 140, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   99 ASP  HN           98 SER  HA          4.00    (#   1247:20        Unique  3.46, 3.49 A)
 &rst
  ixpk= 1247, nxpk= 20, iat=1571,1562, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   29 ALA  HN           26 GLU  HA          4.00    (#   1248:20        Unique  3.54, 3.64 A)
 &rst
  ixpk= 1248, nxpk= 20, iat= 460, 408, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   11 GLU  HN           11 GLU  HA          3.00    (#   1249:20        Unique  2.65, 2.67 A)
 &rst
  ixpk= 1249, nxpk= 20, iat= 162, 164, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   10 ARG  HN            8 GLU  HA          4.00    (#   1251:20        Unique  3.02, 3.17 A)
 &rst
  ixpk= 1251, nxpk= 20, iat= 138, 111, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  111 GLU  HN          110 GLN  HA          4.00    (#   1252:20        Unique  3.57, 3.57 A)
 &rst
  ixpk= 1252, nxpk= 20, iat=1741,1726, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  110 GLN  HN          110 GLN  HA          3.00    (#   1253:20        Unique  2.74, 2.75 A)
 &rst
  ixpk= 1253, nxpk= 20, iat=1724,1726, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    4 VAL  HN            3 SER  HA          3.00    (#   1254:20        Unique  2.50, 2.60 A)
 &rst
  ixpk= 1254, nxpk= 20, iat=  42,  33, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  107 ASP  HN          107 ASP  HA          3.00    (#   1255:20        Unique  2.84, 2.86 A)
 &rst
  ixpk= 1255, nxpk= 20, iat=1686,1688, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  117 LEU  HN          117 LEU  HA          3.00    (#   1256:20        Unique  2.70, 2.73 A)
 &rst
  ixpk= 1256, nxpk= 20, iat=1831,1833, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:1257   117 LEU  HA          4.00    (#   1257:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1257, nxpk= 20, iat=  -1,1833, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1914,1850,
 &end
#
#   42 PHE  HD           37 ASP  HA          5.00    (#   1258:20        Unique  1.93, 4.68 A)
 &rst
  ixpk= 1258, nxpk= 20, iat=  -1, 602, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 680, 688,
 &end
#
#   37 ASP  HN           37 ASP  HA          3.00    (#   1259:20        Unique  2.78, 2.83 A)
 &rst
  ixpk= 1259, nxpk= 20, iat= 600, 602, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  109 THR  HN          108 ASP  HA          4.00    (#   1260:20        Unique  3.56, 3.56 A)
 &rst
  ixpk= 1260, nxpk= 20, iat=1710,1700, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:1261     0 AMB  20-1:1261   5.00    (#   1261:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1261, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1756, 672, 657,
 igr2=1700, 602,
 &end
#
#  108 ASP  HN          108 ASP  HA          3.00    (#   1262:20        Unique  2.75, 2.77 A)
 &rst
  ixpk= 1262, nxpk= 20, iat=1698,1700, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:1263   107 ASP  HA          3.50    (#   1263:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1263, nxpk= 20, iat=  -1,1688, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1741,1698,
 &end
#
#  110 GLN  HN          107 ASP  HA          4.00    (#   1264:20        Unique  3.86, 3.93 A)
 &rst
  ixpk= 1264, nxpk= 20, iat=1724,1688, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  120 LEU  HN          117 LEU  HA          4.20    (#   1265:20        Unique  3.67, 3.80 A)
 &rst
  ixpk= 1265, nxpk= 20, iat=1895,1833, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   71 ASP  HN           71 ASP  HA          3.00    (#   1266:20        Unique  2.74, 2.78 A)
 &rst
  ixpk= 1266, nxpk= 20, iat=1157,1159, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   72 ASP  HN           71 ASP  HA          4.00    (#   1267:20        Unique  3.28, 3.41 A)
 &rst
  ixpk= 1267, nxpk= 20, iat=1169,1159, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  100 ILE  HN           97 LEU  HA          4.00    (#   1268:20        Unique  3.85, 4.02 A)
 &rst
  ixpk= 1268, nxpk= 20, iat=1583,1543, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   96 LYS  HN           96 LYS  HA          3.00    (#   1269:20        Unique  2.27, 2.28 A)
 &rst
  ixpk= 1269, nxpk= 20, iat=1519,1521, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   97 LEU  HN           96 LYS  HA          4.00    (#   1270:20        Unique  3.52, 3.54 A)
 &rst
  ixpk= 1270, nxpk= 20, iat=1541,1521, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:1272    96 LYS  HA          3.00    (#   1272:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1272, nxpk= 20, iat=  -1,1521, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1279, 728,
 &end
#
#   23 GLU  HN           23 GLU  HA          3.00    (#   1273:20        Unique  2.94, 2.95 A)
 &rst
  ixpk= 1273, nxpk= 20, iat= 357, 359, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   24 ASP  HN           23 GLU  HA          4.00    (#   1274:20        Unique  3.25, 3.32 A)
 &rst
  ixpk= 1274, nxpk= 20, iat= 372, 359, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    7 ASP  HN            6 ARG  HA          4.00    (#   1276:20        Unique  3.44, 3.49 A)
 &rst
  ixpk= 1276, nxpk= 20, iat=  97,  75, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    6 ARG  HN            6 ARG  HA          4.00    (#   1277:20        Unique  2.91, 2.94 A)
 &rst
  ixpk= 1277, nxpk= 20, iat=  73,  75, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   17 GLU  HN           17 GLU  HA          4.00    (#   1278:20        Unique  2.92, 2.93 A)
 &rst
  ixpk= 1278, nxpk= 20, iat= 266, 268, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   18 ILE  HN           17 GLU  HA          4.50    (#   1279:20        Unique  3.46, 3.49 A)
 &rst
  ixpk= 1279, nxpk= 20, iat= 281, 268, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  119 TRP  HD1         120 LEU  HA          3.50    (#   1280:20        Unique  2.73, 2.98 A)
 &rst
  ixpk= 1280, nxpk= 20, iat=1879,1897, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  120 LEU  HN          120 LEU  HA          3.00    (#   1282:20        Unique  2.88, 2.91 A)
 &rst
  ixpk= 1282, nxpk= 20, iat=1895,1897, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:1283   120 LEU  HA          4.00    (#   1283:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1283, nxpk= 20, iat=  -1,1897, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1914,1871,
 &end
#
#   73 GLU  HN           73 GLU  HA          3.00    (#   1284:20        Unique  2.91, 2.93 A)
 &rst
  ixpk= 1284, nxpk= 20, iat=1181,1183, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:1286    88 LYS  HA          4.50    (#   1286:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1286, nxpk= 20, iat=  -1,1402, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1422,1434,
 &end
#
#    0 AMB  20-2:1287    51 LYS  HA          5.00    (#   1287:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1287, nxpk= 20, iat=  -1, 842, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 862, 977,
 &end
#
#   66 LEU  HN           66 LEU  HA          3.50    (#   1288:20        Unique  2.88, 2.92 A)
 &rst
  ixpk= 1288, nxpk= 20, iat=1090,1092, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   67 GLY  HN           66 LEU  HA          4.00    (#   1289:20        Unique  3.19, 3.34 A)
 &rst
  ixpk= 1289, nxpk= 20, iat=1109,1092, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:1290    38 ASP  HA          3.00    (#   1290:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1290, nxpk= 20, iat=  -1, 614, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 612, 624,
 &end
#
#    6 ARG  HN            5 GLU  HA          5.00    (#   1291:20        Unique  2.69, 2.72 A)
 &rst
  ixpk= 1291, nxpk= 20, iat=  73,  60, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    5 GLU  HN            5 GLU  HA          5.00    (#   1292:20        Unique  2.79, 2.84 A)
 &rst
  ixpk= 1292, nxpk= 20, iat=  58,  60, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   40 LEU  HN           40 LEU  HA          3.50    (#   1293:20        Unique  2.73, 2.79 A)
 &rst
  ixpk= 1293, nxpk= 20, iat= 638, 640, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   48 TRP  HE1          50 LYS  HA          4.50    (#   1295:20        Unique  3.84, 4.07 A)
 &rst
  ixpk= 1295, nxpk= 20, iat= 782, 820, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:1296    49 LYS  HA          3.00    (#   1296:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1296, nxpk= 20, iat=  -1, 798, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 796,1007,
 &end
#
#   50 LYS  HN           49 LYS  HA          2.80    (#   1297:20        Unique  2.22, 2.23 A)
 &rst
  ixpk= 1297, nxpk= 20, iat= 818, 798, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#  117 LEU  HN          114 ALA  HA          4.00    (#   1298:20        Unique  3.23, 3.45 A)
 &rst
  ixpk= 1298, nxpk= 20, iat=1831,1787, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   51 LYS  HN           50 LYS  HA          2.80    (#   1299:20        Unique  2.16, 2.37 A)
 &rst
  ixpk= 1299, nxpk= 20, iat= 840, 820, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   50 LYS  HN           50 LYS  HA          3.00    (#   1300:20        Unique  2.89, 2.91 A)
 &rst
  ixpk= 1300, nxpk= 20, iat= 818, 820, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   91 ASP  HN           89 ASP  HA          4.50    (#   1301:20        Unique  4.00, 4.07 A)
 &rst
  ixpk= 1301, nxpk= 20, iat=1446,1424, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   21 ASP  HN           21 ASP  HA          3.00    (#   1302:20        Unique  2.76, 2.91 A)
 &rst
  ixpk= 1302, nxpk= 20, iat= 335, 337, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   22 ALA  HN           21 ASP  HA          4.00    (#   1303:20        Unique  3.49, 3.51 A)
 &rst
  ixpk= 1303, nxpk= 20, iat= 347, 337, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  104 ASP  HN          104 ASP  HA          2.80    (#   1305:20        Unique  2.28, 2.28 A)
 &rst
  ixpk= 1305, nxpk= 20, iat=1646,1648, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#  105 VAL  HN          104 ASP  HA          3.00    (#   1306:20        Unique  2.61, 2.74 A)
 &rst
  ixpk= 1306, nxpk= 20, iat=1658,1648, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   72 ASP  HN           72 ASP  HA          3.00    (#   1307:20        Unique  2.77, 2.89 A)
 &rst
  ixpk= 1307, nxpk= 20, iat=1169,1171, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   74 CYS  HN           72 ASP  HA          5.00    (#   1308:20        Unique  4.60, 4.97 A)
 &rst
  ixpk= 1308, nxpk= 20, iat=1196,1171, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   32 TRP  HN           29 ALA  HA          4.00    (#   1309:20        Unique  3.65, 3.86 A)
 &rst
  ixpk= 1309, nxpk= 20, iat= 494, 462, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:1310    29 ALA  HA          5.00    (#   1310:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1310, nxpk= 20, iat=  -1, 462, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 470, 487,
 &end
#
#   29 ALA  HN           29 ALA  HA          3.00    (#   1311:20        Unique  2.76, 2.79 A)
 &rst
  ixpk= 1311, nxpk= 20, iat= 460, 462, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   89 ASP  HN           89 ASP  HA          3.20    (#   1313:20        Unique  2.28, 2.29 A)
 &rst
  ixpk= 1313, nxpk= 20, iat=1422,1424, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#   60 GLU  HN           59 GLU  HA          2.80    (#   1314:20        Unique  2.14, 2.16 A)
 &rst
  ixpk= 1314, nxpk= 20, iat= 992, 979, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#  122 ARG  HN          121 ALA  HA          4.00    (#   1315:20        Unique  3.41, 3.52 A)
 &rst
  ixpk= 1315, nxpk= 20, iat=1924,1916, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  125 LYS  HN          124 TYR  HA          3.30    (#   1316:20        Unique  2.89, 3.34 A)
 &rst
  ixpk= 1316, nxpk= 20, iat=1976,1957, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  124 TYR  HD          124 TYR  HA          4.00    (#   1318:20        Unique  1.89, 4.06 A)
 &rst
  ixpk= 1318, nxpk= 20, iat=  -1,1957, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1963,1972,
 &end
#
#  121 ALA  HN          121 ALA  HA          3.00    (#   1319:20        Unique  2.72, 2.75 A)
 &rst
  ixpk= 1319, nxpk= 20, iat=1914,1916, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  123 GLY  HN          121 ALA  HA          4.00    (#   1320:20        Unique  3.49, 3.80 A)
 &rst
  ixpk= 1320, nxpk= 20, iat=1948,1916, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  123 GLY  HN          122 ARG  HA          3.60    (#   1321:20        Unique  2.80, 3.19 A)
 &rst
  ixpk= 1321, nxpk= 20, iat=1948,1926, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  122 ARG  HN          122 ARG  HA          3.50    (#   1322:20        Unique  2.75, 2.85 A)
 &rst
  ixpk= 1322, nxpk= 20, iat=1924,1926, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  107 ASP  HN          106 ASP  HA          3.00    (#   1323:20        Unique  2.71, 2.74 A)
 &rst
  ixpk= 1323, nxpk= 20, iat=1686,1676, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  106 ASP  HN          106 ASP  HA          3.00    (#   1324:20        Unique  2.88, 2.92 A)
 &rst
  ixpk= 1324, nxpk= 20, iat=1674,1676, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   46 GLY  HA-         102 ALA  HA          4.00    (#   1326:20        Unique  2.17, 2.94 A)
 &rst
  ixpk= 1326, nxpk= 20, iat=  -1,1619, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 745, 746,
 &end
#
#    0 AMB  20-2:1327   102 ALA  HA          3.80    (#   1327:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1327, nxpk= 20, iat=  -1,1619, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1=1617, 750,
 &end
#
#  103 ILE  HN          102 ALA  HA          2.80    (#   1328:20        Unique  2.14, 2.15 A)
 &rst
  ixpk= 1328, nxpk= 20, iat=1627,1619, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   23 GLU  HN           22 ALA  HA          2.80    (#   1329:20        Unique  2.15, 2.17 A)
 &rst
  ixpk= 1329, nxpk= 20, iat= 357, 349, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  20-2:1330    22 ALA  HA          3.00    (#   1330:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1330, nxpk= 20, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 347, 372,
 &end
#
#    4 VAL  HN            2 ALA  HA          4.40    (#   1331:20        Unique  4.30, 4.81 A)
 &rst
  ixpk= 1331, nxpk= 20, iat=  42,  23, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#   69 ALA  HN           69 ALA  HA          4.00    (#   1333:20        Unique  2.81, 2.86 A)
 &rst
  ixpk= 1333, nxpk= 20, iat=1133,1135, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:1334     0 AMB  20-1:1334   6.00    (#   1334:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1334, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1367,1422,
 igr2=1388,1389,1388,1389,
 &end
#
#   86 GLY  HN           86 GLY  HA+         3.00    (#   1335:20        Unique  2.71, 2.81 A)
 &rst
  ixpk= 1335, nxpk= 20, iat=1386,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1388,1389,
 &end
#
#   87 GLY  HN           86 GLY  HA+         4.00    (#   1336:20        Unique  2.93, 3.24 A)
 &rst
  ixpk= 1336, nxpk= 20, iat=1393,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1388,1389,
 &end
#
#   88 LYS  HN           87 GLY  HA-         4.00    (#   1337:20        Unique  2.28, 2.97 A)
 &rst
  ixpk= 1337, nxpk= 20, iat=1400,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1395,1396,
 &end
#
#    0 AMB  20-2:1338     0 AMB  20-1:1338   4.80    (#   1338:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1338, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=1386,1355,
 igr2=1395,1396,1395,1396,
 &end
#
#   88 LYS  HN           87 GLY  HA+         4.00    (#   1340:20        Unique  2.28, 2.97 A)
 &rst
  ixpk= 1340, nxpk= 20, iat=1400,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1395,1396,
 &end
#
#   87 GLY  HN           87 GLY  HA-         3.50    (#   1341:20        Unique  2.32, 2.62 A)
 &rst
  ixpk= 1341, nxpk= 20, iat=1393,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1395,1396,
 &end
#
#   87 GLY  HN           87 GLY  HA+         3.50    (#   1342:20        Unique  2.32, 2.62 A)
 &rst
  ixpk= 1342, nxpk= 20, iat=1393,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1395,1396,
 &end
#
#  103 ILE  HN           46 GLY  HA+         3.50    (#   1343:20        Unique  1.97, 2.89 A)
 &rst
  ixpk= 1343, nxpk= 20, iat=1627,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 745, 746,
 &end
#
#   47 LYS  HN           46 GLY  HA+         3.00    (#   1344:20        Unique  2.15, 2.59 A)
 &rst
  ixpk= 1344, nxpk= 20, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 745, 746,
 &end
#
#  124 TYR  HN          123 GLY  HA+         3.50    (#   1345:20        Unique  2.25, 3.00 A)
 &rst
  ixpk= 1345, nxpk= 20, iat=1955,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1950,1951,
 &end
#
#  122 ARG  HN          123 GLY  HA+         5.50    (#   1346:20        Unique  4.85, 5.15 A)
 &rst
  ixpk= 1346, nxpk= 20, iat=1924,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1950,1951,
 &end
#
#  123 GLY  HN          123 GLY  HA+         3.00    (#   1347:20        Unique  2.29, 2.62 A)
 &rst
  ixpk= 1347, nxpk= 20, iat=1948,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1950,1951,
 &end
#
#  123 GLY  HN          123 GLY  HA-         3.00    (#   1348:20        Unique  2.29, 2.62 A)
 &rst
  ixpk= 1348, nxpk= 20, iat=1948,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1950,1951,
 &end
#
#  124 TYR  HN          123 GLY  HA-         3.50    (#   1349:20        Unique  2.25, 3.00 A)
 &rst
  ixpk= 1349, nxpk= 20, iat=1955,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1950,1951,
 &end
#
#   68 MET  HN           67 GLY  HA+         3.00    (#   1350:20        Unique  2.17, 2.93 A)
 &rst
  ixpk= 1350, nxpk= 20, iat=1116,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1111,1112,
 &end
#
#   67 GLY  HN           67 GLY  HA+         3.00    (#   1351:20        Unique  2.49, 2.76 A)
 &rst
  ixpk= 1351, nxpk= 20, iat=1109,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1111,1112,
 &end
#
#   68 MET  HN           67 GLY  HA-         3.00    (#   1352:20        Unique  2.17, 2.93 A)
 &rst
  ixpk= 1352, nxpk= 20, iat=1116,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1111,1112,
 &end
#
#   67 GLY  HN           67 GLY  HA-         3.20    (#   1353:20        Unique  2.49, 2.76 A)
 &rst
  ixpk= 1353, nxpk= 20, iat=1109,  -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr2=1111,1112,
 &end
#
#   13 ARG  HE           13 ARG  HD+         3.50    (#   1355:20        Unique  2.28, 2.77 A)
 &rst
  ixpk= 1355, nxpk= 20, iat= 207,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 204, 205,
 &end
#
#    6 ARG  HN            6 ARG  HD-         4.00    (#   1356:20        Unique  1.84, 3.39 A)
 &rst
  ixpk= 1356, nxpk= 20, iat=  73,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=  83,  84,
 &end
#
#   66 LEU  HN           66 LEU  HB+         3.50    (#   1357:20        Unique  2.22, 2.96 A)
 &rst
  ixpk= 1357, nxpk= 20, iat=1090,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1094,1095,
 &end
#
#   67 GLY  HN           66 LEU  HB+         4.00    (#   1358:20        Unique  3.17, 3.71 A)
 &rst
  ixpk= 1358, nxpk= 20, iat=1109,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1094,1095,
 &end
#
#   78 MET  HN           77 ASP  HB+         4.00    (#   1360:20        Unique  2.49, 3.43 A)
 &rst
  ixpk= 1360, nxpk= 20, iat=1260,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1252,1253,
 &end
#
#   79 TYR  HE           77 ASP  HB+         4.00    (#   1361:20        Unique  1.91, 5.19 A)
 &rst
  ixpk= 1361, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1287,1292,
 igr2=1252,1253,
 &end
#
#   77 ASP  HN           77 ASP  HB+         4.00    (#   1362:20        Unique  2.45, 3.36 A)
 &rst
  ixpk= 1362, nxpk= 20, iat=1248,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1252,1253,
 &end
#
#   77 ASP  HN           77 ASP  HB-         4.00    (#   1364:20        Unique  2.45, 3.36 A)
 &rst
  ixpk= 1364, nxpk= 20, iat=1248,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1252,1253,
 &end
#
#   79 TYR  HE           77 ASP  HB-         4.00    (#   1365:20        Unique  1.91, 5.19 A)
 &rst
  ixpk= 1365, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1287,1292,
 igr2=1252,1253,
 &end
#
#    0 AMB  20-2:1366     0 AMB  20-1:1366   4.00    (#   1366:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1366, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1260,  97,
 igr2=1252,1253, 101, 102,
 &end
#
#   24 ASP  HA           24 ASP  HB+         3.00    (#   1367:20        Unique  2.36, 2.83 A)
 &rst
  ixpk= 1367, nxpk= 20, iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 376, 377,
 &end
#
#   25 LYS  HN           24 ASP  HB+         3.00    (#   1368:20        Unique  2.11, 3.36 A)
 &rst
  ixpk= 1368, nxpk= 20, iat= 384,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 376, 377,
 &end
#
#   25 LYS  HN           24 ASP  HB-         3.00    (#   1369:20        Unique  2.11, 3.36 A)
 &rst
  ixpk= 1369, nxpk= 20, iat= 384,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 376, 377,
 &end
#
#   24 ASP  HA           24 ASP  HB-         3.00    (#   1371:20        Unique  2.36, 2.83 A)
 &rst
  ixpk= 1371, nxpk= 20, iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 376, 377,
 &end
#
#    7 ASP  HA            7 ASP  HB-         3.00    (#   1372:20        Unique  2.36, 2.77 A)
 &rst
  ixpk= 1372, nxpk= 20, iat=  99,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 101, 102,
 &end
#
#    7 ASP  HA            7 ASP  HB+         3.50    (#   1373:20        Unique  2.36, 2.77 A)
 &rst
  ixpk= 1373, nxpk= 20, iat=  99,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 101, 102,
 &end
#
#   96 LYS  HN           96 LYS  HE+         3.50    (#   1374:20        Unique  1.77, 3.04 A)
 &rst
  ixpk= 1374, nxpk= 20, iat=1519,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1532,1533,
 &end
#
#    0 AMB  20-2:1376     0 AMB  20-1:1376   3.00    (#   1376:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1376, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 612, 624,
 igr2= 616, 617, 616, 617,
 &end
#
#   37 ASP  HN           37 ASP  HB+         3.00    (#   1377:20        Unique  2.07, 2.67 A)
 &rst
  ixpk= 1377, nxpk= 20, iat= 600,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 604, 605,
 &end
#
#   38 ASP  HN           37 ASP  HB+         4.00    (#   1378:20        Unique  2.46, 3.32 A)
 &rst
  ixpk= 1378, nxpk= 20, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 604, 605,
 &end
#
#   37 ASP  HN           37 ASP  HB-         3.00    (#   1379:20        Unique  2.07, 2.67 A)
 &rst
  ixpk= 1379, nxpk= 20, iat= 600,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 604, 605,
 &end
#
#   38 ASP  HN           37 ASP  HB-         4.00    (#   1380:20        Unique  2.46, 3.32 A)
 &rst
  ixpk= 1380, nxpk= 20, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 604, 605,
 &end
#
#   25 LYS  HN           25 LYS  HE+         4.00    (#   1381:20        Unique  2.03, 3.20 A)
 &rst
  ixpk= 1381, nxpk= 20, iat= 384,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 397, 398,
 &end
#
#   96 LYS  HN           96 LYS  HE-         3.50    (#   1385:20        Unique  1.77, 3.04 A)
 &rst
  ixpk= 1385, nxpk= 20, iat=1519,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1532,1533,
 &end
#
#  120 LEU  HN          120 LEU  HB+         3.00    (#   1389:20        Unique  2.11, 2.67 A)
 &rst
  ixpk= 1389, nxpk= 20, iat=1895,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1899,1900,
 &end
#
#  121 ALA  HN          120 LEU  HB+         5.00    (#   1390:20        Unique  2.49, 3.35 A)
 &rst
  ixpk= 1390, nxpk= 20, iat=1914,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1899,1900,
 &end
#
#  120 LEU  HN          120 LEU  HB-         3.50    (#   1391:20        Unique  2.11, 2.67 A)
 &rst
  ixpk= 1391, nxpk= 20, iat=1895,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1899,1900,
 &end
#
#   48 TRP  HE1          99 ASP  HB-         3.50    (#   1394:20        Unique  2.11, 2.82 A)
 &rst
  ixpk= 1394, nxpk= 20, iat= 782,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1575,1576,
 &end
#
#    0 AMB  20-2:1395     0 AMB  20-1:1395   3.00    (#   1395:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1395, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1355,1386,
 igr2=1359,1360,1359,1360,
 &end
#
#  107 ASP  HN          106 ASP  HB+         3.00    (#   1397:20        Unique  2.08, 2.89 A)
 &rst
  ixpk= 1397, nxpk= 20, iat=1686,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1678,1679,
 &end
#
#   47 LYS  HN           47 LYS  HE+         5.50    (#   1398:20        Unique  4.60, 5.20 A)
 &rst
  ixpk= 1398, nxpk= 20, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 763, 764,
 &end
#
#   47 LYS  HA           47 LYS  HE+         5.00    (#   1399:20        Unique  2.10, 4.22 A)
 &rst
  ixpk= 1399, nxpk= 20, iat= 752,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 763, 764,
 &end
#
#  107 ASP  HN          106 ASP  HB-         3.00    (#   1400:20        Unique  2.08, 2.89 A)
 &rst
  ixpk= 1400, nxpk= 20, iat=1686,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1678,1679,
 &end
#
#   75 LEU  HN           75 LEU  HB-         3.00    (#   1401:20        Unique  2.48, 3.32 A)
 &rst
  ixpk= 1401, nxpk= 20, iat=1207,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1211,1212,
 &end
#
#   75 LEU  HN           75 LEU  HB+         4.00    (#   1402:20        Unique  2.48, 3.32 A)
 &rst
  ixpk= 1402, nxpk= 20, iat=1207,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1211,1212,
 &end
#
#   97 LEU  HN           97 LEU  HB-         3.50    (#   1403:20        Unique  2.20, 2.98 A)
 &rst
  ixpk= 1403, nxpk= 20, iat=1541,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1545,1546,
 &end
#
#  121 ALA  HN          120 LEU  HB-         4.00    (#   1404:20        Unique  2.49, 3.35 A)
 &rst
  ixpk= 1404, nxpk= 20, iat=1914,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1899,1900,
 &end
#
#  120 LEU  HN          120 LEU  HB-         3.00    (#   1405:20        Unique  2.11, 2.67 A)
 &rst
  ixpk= 1405, nxpk= 20, iat=1895,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1899,1900,
 &end
#
#   48 TRP  HE1          99 ASP  HB+         3.50    (#   1407:20        Unique  2.11, 2.82 A)
 &rst
  ixpk= 1407, nxpk= 20, iat= 782,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1575,1576,
 &end
#
#   99 ASP  HN           99 ASP  HB+         4.00    (#   1408:20        Unique  3.00, 3.29 A)
 &rst
  ixpk= 1408, nxpk= 20, iat=1571,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1575,1576,
 &end
#
#   99 ASP  HA           99 ASP  HB+         3.00    (#   1409:20        Unique  2.62, 2.82 A)
 &rst
  ixpk= 1409, nxpk= 20, iat=1573,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1575,1576,
 &end
#
#   48 TRP  HD1          99 ASP  HB+         4.80    (#   1411:20        Unique  2.62, 3.69 A)
 &rst
  ixpk= 1411, nxpk= 20, iat= 780,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1575,1576,
 &end
#
#    0 AMB  20-2:1412     0 AMB  20-1:1412   3.50    (#   1412:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1412, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 714, 722, 680, 688,
 igr2= 710, 711, 710, 711,
 &end
#
#   44 PHE  HA           44 PHE  HB-         3.00    (#   1413:20        Unique  2.26, 2.47 A)
 &rst
  ixpk= 1413, nxpk= 20, iat= 708,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 710, 711,
 &end
#
#   99 ASP  HN           99 ASP  HB-         3.50    (#   1414:20        Unique  3.00, 3.29 A)
 &rst
  ixpk= 1414, nxpk= 20, iat=1571,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1575,1576,
 &end
#
#   93 TYR  HD           61 LYS  HE+         7.00    (#   1417:20        Unique  2.81, 5.68 A)
 &rst
  ixpk= 1417, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1482,1491,
 igr2=1020,1021,
 &end
#
#    0 AMB  20-2:1418     0 AMB  20-1:1418   6.00    (#   1418:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1418, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1386,1355,1029,
 igr2=1426,1427,1020,1021,
 &end
#
#   48 TRP  HD1          61 LYS  HE-         6.00    (#   1419:20        Unique  4.75, 5.40 A)
 &rst
  ixpk= 1419, nxpk= 20, iat= 780,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1020,1021,
 &end
#
#   79 TYR  HN           79 TYR  HB+         4.00    (#   1420:20        Unique  2.66, 3.38 A)
 &rst
  ixpk= 1420, nxpk= 20, iat=1277,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1281,1282,
 &end
#
#   80 VAL  HN           79 TYR  HB+         4.00    (#   1421:20        Unique  1.86, 3.07 A)
 &rst
  ixpk= 1421, nxpk= 20, iat=1298,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1281,1282,
 &end
#
#    0 AMB  20-2:1423     0 AMB  20-1:1423   5.00    (#   1423:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1423, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1497,1347,
 igr2=1281,1282,1359,1360,1450,1451,
 &end
#
#    0 AMB  20-2:1424    84 ASP  HB-         4.00    (#   1424:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1424, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1355,1386,
 igr2=1359,1360,
 &end
#
#   45 MET  HN           44 PHE  HB+         4.00    (#   1429:20        Unique  3.01, 3.77 A)
 &rst
  ixpk= 1429, nxpk= 20, iat= 726,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 710, 711,
 &end
#
#   44 PHE  HA           44 PHE  HB+         3.00    (#   1431:20        Unique  2.26, 2.47 A)
 &rst
  ixpk= 1431, nxpk= 20, iat= 708,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 710, 711,
 &end
#
#   45 MET  HN           44 PHE  HB-         4.00    (#   1432:20        Unique  3.01, 3.77 A)
 &rst
  ixpk= 1432, nxpk= 20, iat= 726,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 710, 711,
 &end
#
#   93 TYR  HA           93 TYR  HB+         5.00    (#   1435:20        Unique  2.23, 2.63 A)
 &rst
  ixpk= 1435, nxpk= 20, iat=1476,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1478,1479,
 &end
#
#   94 THR  HN           93 TYR  HB+         5.00    (#   1436:20        Unique  2.40, 2.84 A)
 &rst
  ixpk= 1436, nxpk= 20, iat=1495,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1478,1479,
 &end
#
#   91 ASP  HN           89 ASP  HB+         5.50    (#   1437:20        Unique  4.37, 4.96 A)
 &rst
  ixpk= 1437, nxpk= 20, iat=1446,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1426,1427,
 &end
#
#   90 ASP  HN           89 ASP  HB+         3.80    (#   1438:20        Unique  2.10, 3.11 A)
 &rst
  ixpk= 1438, nxpk= 20, iat=1434,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2=1426,1427,
 &end
#
#   90 ASP  HN           89 ASP  HB-         3.80    (#   1440:20        Unique  2.10, 3.11 A)
 &rst
  ixpk= 1440, nxpk= 20, iat=1434,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2=1426,1427,
 &end
#
#   91 ASP  HN           91 ASP  HB+         3.00    (#   1441:20        Unique  2.20, 2.94 A)
 &rst
  ixpk= 1441, nxpk= 20, iat=1446,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1450,1451,
 &end
#
#   92 VAL  HN           91 ASP  HB+         4.00    (#   1442:20        Unique  2.82, 3.61 A)
 &rst
  ixpk= 1442, nxpk= 20, iat=1458,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1450,1451,
 &end
#
#   94 THR  HN           93 TYR  HB-         5.00    (#   1443:20        Unique  2.40, 2.84 A)
 &rst
  ixpk= 1443, nxpk= 20, iat=1495,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1478,1479,
 &end
#
#   91 ASP  HN           91 ASP  HB-         4.00    (#   1444:20        Unique  2.20, 2.94 A)
 &rst
  ixpk= 1444, nxpk= 20, iat=1446,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1450,1451,
 &end
#
#   93 TYR  HA           93 TYR  HB-         5.00    (#   1447:20        Unique  2.23, 2.63 A)
 &rst
  ixpk= 1447, nxpk= 20, iat=1476,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1478,1479,
 &end
#
#   93 TYR  HN           93 TYR  HB+         6.00    (#   1449:20        Unique  2.82, 3.38 A)
 &rst
  ixpk= 1449, nxpk= 20, iat=1474,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1478,1479,
 &end
#
#   93 TYR  HD           93 TYR  HB+         5.00    (#   1450:20        Unique  2.31, 3.06 A)
 &rst
  ixpk= 1450, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1482,1491,
 igr2=1478,1479,
 &end
#
#  107 ASP  HN          107 ASP  HB-         3.00    (#   1455:20        Unique  2.09, 2.94 A)
 &rst
  ixpk= 1455, nxpk= 20, iat=1686,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1690,1691,
 &end
#
#  118 TYR  HN          117 LEU  HB-         4.00    (#   1456:20        Unique  2.60, 3.19 A)
 &rst
  ixpk= 1456, nxpk= 20, iat=1850,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1835,1836,
 &end
#
#  117 LEU  HN          117 LEU  HB-         3.80    (#   1457:20        Unique  2.24, 3.01 A)
 &rst
  ixpk= 1457, nxpk= 20, iat=1831,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2=1835,1836,
 &end
#
#  117 LEU  HN          117 LEU  HB+         3.50    (#   1458:20        Unique  2.24, 3.01 A)
 &rst
  ixpk= 1458, nxpk= 20, iat=1831,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1835,1836,
 &end
#
#  118 TYR  HN          117 LEU  HB+         3.80    (#   1459:20        Unique  2.60, 3.19 A)
 &rst
  ixpk= 1459, nxpk= 20, iat=1850,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2=1835,1836,
 &end
#
#  107 ASP  HN          107 ASP  HB+         3.00    (#   1461:20        Unique  2.09, 2.94 A)
 &rst
  ixpk= 1461, nxpk= 20, iat=1686,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1690,1691,
 &end
#
#   90 ASP  HN           90 ASP  HB+         3.00    (#   1462:20        Unique  2.41, 2.90 A)
 &rst
  ixpk= 1462, nxpk= 20, iat=1434,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1438,1439,
 &end
#
#   91 ASP  HN           90 ASP  HB+         3.70    (#   1463:20        Unique  3.12, 3.68 A)
 &rst
  ixpk= 1463, nxpk= 20, iat=1446,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr2=1438,1439,
 &end
#
#   22 ALA  HN           21 ASP  HB-         4.00    (#   1465:20        Unique  2.21, 3.32 A)
 &rst
  ixpk= 1465, nxpk= 20, iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 339, 340,
 &end
#
#   47 LYS  HN          103 ILE  HB          5.00    (#   1466:20        Unique  4.04, 4.22 A)
 &rst
  ixpk= 1466, nxpk= 20, iat= 750,1631, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   45 MET  HN          103 ILE  HB          5.50    (#   1467:20        Unique  4.92, 5.07 A)
 &rst
  ixpk= 1467, nxpk= 20, iat= 726,1631, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   21 ASP  HN           21 ASP  HB+         3.20    (#   1468:20        Unique  2.35, 2.76 A)
 &rst
  ixpk= 1468, nxpk= 20, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr2= 339, 340,
 &end
#
#   22 ALA  HN           21 ASP  HB+         5.00    (#   1469:20        Unique  2.21, 3.32 A)
 &rst
  ixpk= 1469, nxpk= 20, iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 339, 340,
 &end
#
#  103 ILE  HN          103 ILE  HB          3.00    (#   1471:20        Unique  2.21, 2.37 A)
 &rst
  ixpk= 1471, nxpk= 20, iat=1627,1631, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   46 GLY  HA-         103 ILE  HB          5.50    (#   1472:20        Unique  2.38, 3.85 A)
 &rst
  ixpk= 1472, nxpk= 20, iat=  -1,1631, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 745, 746,
 &end
#
#  115 ASP  HN          115 ASP  HB+         3.50    (#   1473:20        Unique  2.08, 2.82 A)
 &rst
  ixpk= 1473, nxpk= 20, iat=1795,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1799,1800,
 &end
#
#  116 TRP  HN          115 ASP  HB+         3.50    (#   1474:20        Unique  2.52, 2.98 A)
 &rst
  ixpk= 1474, nxpk= 20, iat=1807,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1799,1800,
 &end
#
#  116 TRP  HN          115 ASP  HB-         3.50    (#   1475:20        Unique  2.52, 2.98 A)
 &rst
  ixpk= 1475, nxpk= 20, iat=1807,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1799,1800,
 &end
#
#  115 ASP  HN          115 ASP  HB-         3.50    (#   1476:20        Unique  2.08, 2.82 A)
 &rst
  ixpk= 1476, nxpk= 20, iat=1795,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1799,1800,
 &end
#
#  108 ASP  HN          108 ASP  HB+         3.00    (#   1477:20        Unique  2.07, 2.76 A)
 &rst
  ixpk= 1477, nxpk= 20, iat=1698,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1702,1703,
 &end
#
#  108 ASP  HN          108 ASP  HB-         3.00    (#   1478:20        Unique  2.07, 2.76 A)
 &rst
  ixpk= 1478, nxpk= 20, iat=1698,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1702,1703,
 &end
#
#  109 THR  HN          108 ASP  HB-         3.50    (#   1479:20        Unique  2.52, 2.89 A)
 &rst
  ixpk= 1479, nxpk= 20, iat=1710,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1702,1703,
 &end
#
#   40 LEU  HN           40 LEU  HB+         3.50    (#   1480:20        Unique  2.10, 2.83 A)
 &rst
  ixpk= 1480, nxpk= 20, iat= 638,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 642, 643,
 &end
#
#    0 AMB  20-2:1481     0 AMB  20-1:1481   3.50    (#   1481:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1481, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 672, 657,
 igr2= 642, 643, 642, 643,
 &end
#
#   40 LEU  HN           40 LEU  HB-         3.50    (#   1482:20        Unique  2.10, 2.83 A)
 &rst
  ixpk= 1482, nxpk= 20, iat= 638,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 642, 643,
 &end
#
#    0 AMB  20-2:1483    40 LEU  HB-         4.00    (#   1483:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1483, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 716, 720, 682, 686,
 igr2= 642, 643,
 &end
#
#   42 PHE  HD           42 PHE  HB-         3.50    (#   1485:20        Unique  2.33, 3.04 A)
 &rst
  ixpk= 1485, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 680, 688,
 igr2= 676, 677,
 &end
#
#   33 TYR  HN           33 TYR  HB+         3.00    (#   1487:20        Unique  2.29, 2.54 A)
 &rst
  ixpk= 1487, nxpk= 20, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 522, 523,
 &end
#
#   34 TYR  HN           33 TYR  HB+         4.50    (#   1488:20        Unique  2.27, 3.09 A)
 &rst
  ixpk= 1488, nxpk= 20, iat= 539,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 522, 523,
 &end
#
#   42 PHE  HD           42 PHE  HB+         3.00    (#   1491:20        Unique  2.33, 3.04 A)
 &rst
  ixpk= 1491, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 680, 688,
 igr2= 676, 677,
 &end
#
#   35 TYR  HN           35 TYR  HB+         3.50    (#   1492:20        Unique  2.12, 3.00 A)
 &rst
  ixpk= 1492, nxpk= 20, iat= 560,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 564, 565,
 &end
#
#   35 TYR  HD           35 TYR  HB+         3.50    (#   1493:20        Unique  2.31, 3.05 A)
 &rst
  ixpk= 1493, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 568, 577,
 igr2= 564, 565,
 &end
#
#  104 ASP  HN          104 ASP  HB+         3.00    (#   1495:20        Unique  3.03, 3.48 A)
 &rst
  ixpk= 1495, nxpk= 20, iat=1646,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1650,1651,
 &end
#
#  105 VAL  HN          104 ASP  HB+         4.80    (#   1496:20        Unique  4.19, 4.40 A)
 &rst
  ixpk= 1496, nxpk= 20, iat=1658,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1650,1651,
 &end
#
#  104 ASP  HN          104 ASP  HB-         4.00    (#   1497:20        Unique  3.03, 3.48 A)
 &rst
  ixpk= 1497, nxpk= 20, iat=1646,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1650,1651,
 &end
#
#  105 VAL  HN          104 ASP  HB-         4.00    (#   1498:20        Unique  4.19, 4.40 A)
 &rst
  ixpk= 1498, nxpk= 20, iat=1658,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1650,1651,
 &end
#
#   58 ILE  HN           58 ILE  HB          3.00    (#   1499:20        Unique  2.32, 3.09 A)
 &rst
  ixpk= 1499, nxpk= 20, iat= 958, 962, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  100 ILE  HA          100 ILE  HB          3.00    (#   1500:20        Unique  2.59, 2.73 A)
 &rst
  ixpk= 1500, nxpk= 20, iat=1585,1587, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  100 ILE  HN          100 ILE  HB          3.00    (#   1501:20        Unique  2.78, 2.92 A)
 &rst
  ixpk= 1501, nxpk= 20, iat=1583,1587, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  101 GLU  HN          100 ILE  HB          4.50    (#   1502:20        Unique  3.95, 4.03 A)
 &rst
  ixpk= 1502, nxpk= 20, iat=1602,1587, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 GLU  HN           14 ILE  HB          3.00    (#   1503:20        Unique  2.95, 3.40 A)
 &rst
  ixpk= 1503, nxpk= 20, iat= 237, 222, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   14 ILE  HN           14 ILE  HB          2.80    (#   1504:20        Unique  2.12, 2.21 A)
 &rst
  ixpk= 1504, nxpk= 20, iat= 218, 222, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   71 ASP  HN           71 ASP  HB+         3.50    (#   1505:20        Unique  2.09, 2.95 A)
 &rst
  ixpk= 1505, nxpk= 20, iat=1157,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1161,1162,
 &end
#
#  118 TYR  HD          118 TYR  HB-         3.50    (#   1506:20        Unique  2.32, 3.07 A)
 &rst
  ixpk= 1506, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1858,1867,
 igr2=1854,1855,
 &end
#
#    0 AMB  20-2:1507   118 TYR  HB-         3.00    (#   1507:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1507, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1871,1850,
 igr2=1854,1855,
 &end
#
#    0 AMB  20-2:1508     0 AMB  20-1:1508   3.50    (#   1508:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1508, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1871,1850,
 igr2=1854,1855,1854,1855,
 &end
#
#  114 ALA  HN          113 ILE  HB          2.80    (#   1509:20        Unique  2.24, 2.29 A)
 &rst
  ixpk= 1509, nxpk= 20, iat=1785,1770, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#  113 ILE  HN          113 ILE  HB          3.00    (#   1510:20        Unique  2.42, 2.52 A)
 &rst
  ixpk= 1510, nxpk= 20, iat=1766,1770, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  126 PHE  HD          126 PHE  HB-         3.50    (#   1511:20        Unique  2.29, 3.04 A)
 &rst
  ixpk= 1511, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=2006,2014,
 igr2=2002,2003,
 &end
#
#  126 PHE  HN          126 PHE  HB+         4.00    (#   1513:20        Unique  2.66, 3.35 A)
 &rst
  ixpk= 1513, nxpk= 20, iat=1998,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2002,2003,
 &end
#
#  126 PHE  HD          126 PHE  HB+         3.50    (#   1514:20        Unique  2.29, 3.04 A)
 &rst
  ixpk= 1514, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=2006,2014,
 igr2=2002,2003,
 &end
#
#   85 ILE  HN           85 ILE  HB          3.00    (#   1515:20        Unique  3.60, 3.63 A)
 &rst
  ixpk= 1515, nxpk= 20, iat=1367,1371, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   63 VAL  HA           85 ILE  HB          5.00    (#   1516:20        Unique  4.72, 4.84 A)
 &rst
  ixpk= 1516, nxpk= 20, iat=1045,1371, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   19 ILE  HN           18 ILE  HB          4.50    (#   1517:20        Unique  1.91, 2.40 A)
 &rst
  ixpk= 1517, nxpk= 20, iat= 300, 285, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   18 ILE  HN           18 ILE  HB          4.50    (#   1518:20        Unique  2.36, 2.46 A)
 &rst
  ixpk= 1518, nxpk= 20, iat= 281, 285, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  126 PHE  HN          126 PHE  HB-         4.00    (#   1519:20        Unique  2.66, 3.35 A)
 &rst
  ixpk= 1519, nxpk= 20, iat=1998,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2002,2003,
 &end
#
#   34 TYR  HN           34 TYR  HB+         3.00    (#   1520:20        Unique  2.24, 2.93 A)
 &rst
  ixpk= 1520, nxpk= 20, iat= 539,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 543, 544,
 &end
#
#   35 TYR  HN           34 TYR  HB+         3.50    (#   1521:20        Unique  2.40, 2.75 A)
 &rst
  ixpk= 1521, nxpk= 20, iat= 560,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 543, 544,
 &end
#
#   34 TYR  HD           34 TYR  HB+         3.50    (#   1522:20        Unique  2.30, 3.06 A)
 &rst
  ixpk= 1522, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 547, 556,
 igr2= 543, 544,
 &end
#
#   35 TYR  HN           34 TYR  HB-         3.50    (#   1525:20        Unique  2.40, 2.75 A)
 &rst
  ixpk= 1525, nxpk= 20, iat= 560,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 543, 544,
 &end
#
#   34 TYR  HD           34 TYR  HB-         3.00    (#   1527:20        Unique  2.30, 3.06 A)
 &rst
  ixpk= 1527, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 547, 556,
 igr2= 543, 544,
 &end
#
#   34 TYR  HN           34 TYR  HB-         4.00    (#   1528:20        Unique  2.24, 2.93 A)
 &rst
  ixpk= 1528, nxpk= 20, iat= 539,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 543, 544,
 &end
#
#   26 GLU  HN           26 GLU  HG+         3.00    (#   1529:20        Unique  2.47, 3.13 A)
 &rst
  ixpk= 1529, nxpk= 20, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 413, 414,
 &end
#
#   23 GLU  HN           27 GLU  HG-         4.50    (#   1531:20        Unique  3.44, 4.07 A)
 &rst
  ixpk= 1531, nxpk= 20, iat= 357,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 428, 429,
 &end
#
#   19 ILE  HN           19 ILE  HB          4.00    (#   1532:20        Unique  3.29, 3.52 A)
 &rst
  ixpk= 1532, nxpk= 20, iat= 300, 304, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   20 VAL  HN           19 ILE  HB          5.00    (#   1533:20        Unique  2.75, 3.42 A)
 &rst
  ixpk= 1533, nxpk= 20, iat= 319, 304, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:1534     0 AMB  20-1:1534   4.00    (#   1534:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1534, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1007, 796,
 igr2= 999,1000, 999,1000,
 &end
#
#   60 GLU  HN           60 GLU  HG+         4.20    (#   1535:20        Unique  2.16, 3.16 A)
 &rst
  ixpk= 1535, nxpk= 20, iat= 992,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 999,1000,
 &end
#
#   60 GLU  HA           60 GLU  HG+         3.30    (#   1536:20        Unique  2.40, 2.73 A)
 &rst
  ixpk= 1536, nxpk= 20, iat= 994,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 999,1000,
 &end
#
#    0 AMB  20-2:1538    27 GLU  HG-         4.00    (#   1538:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1538, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 406, 436, 384,
 igr2= 428, 429,
 &end
#
#   24 ASP  HN           27 GLU  HG-         4.00    (#   1539:20        Unique  3.23, 3.41 A)
 &rst
  ixpk= 1539, nxpk= 20, iat= 372,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 428, 429,
 &end
#
#   27 GLU  HN           27 GLU  HG-         3.00    (#   1540:20        Unique  1.90, 2.72 A)
 &rst
  ixpk= 1540, nxpk= 20, iat= 421,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 428, 429,
 &end
#
#   27 GLU  HN           27 GLU  HG+         3.00    (#   1541:20        Unique  1.90, 2.72 A)
 &rst
  ixpk= 1541, nxpk= 20, iat= 421,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 428, 429,
 &end
#
#    0 AMB  20-2:1542     0 AMB  20-1:1542   4.50    (#   1542:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1542, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1007, 796,1090,
 igr2= 999,1000,1066,1067,
 &end
#
#   60 GLU  HN           60 GLU  HG-         3.80    (#   1543:20        Unique  2.16, 3.16 A)
 &rst
  ixpk= 1543, nxpk= 20, iat= 992,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2= 999,1000,
 &end
#
#   60 GLU  HA           60 GLU  HG-         3.20    (#   1544:20        Unique  2.40, 2.73 A)
 &rst
  ixpk= 1544, nxpk= 20, iat= 994,  -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr2= 999,1000,
 &end
#
#   81 GLU  HN           81 GLU  HG+         4.00    (#   1547:20        Unique  2.79, 3.47 A)
 &rst
  ixpk= 1547, nxpk= 20, iat=1314,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1321,1322,
 &end
#
#   81 GLU  HA           81 GLU  HG+         3.00    (#   1548:20        Unique  2.20, 2.64 A)
 &rst
  ixpk= 1548, nxpk= 20, iat=1316,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1321,1322,
 &end
#
#   81 GLU  HA           81 GLU  HG-         4.00    (#   1549:20        Unique  2.20, 2.64 A)
 &rst
  ixpk= 1549, nxpk= 20, iat=1316,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1321,1322,
 &end
#
#   81 GLU  HN           81 GLU  HG-         4.00    (#   1551:20        Unique  2.79, 3.47 A)
 &rst
  ixpk= 1551, nxpk= 20, iat=1314,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1321,1322,
 &end
#
#   16 THR  HN           15 GLU  HG+         3.50    (#   1552:20        Unique  2.48, 3.14 A)
 &rst
  ixpk= 1552, nxpk= 20, iat= 252,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 244, 245,
 &end
#
#   15 GLU  HN           15 GLU  HG+         4.00    (#   1553:20        Unique  3.81, 4.17 A)
 &rst
  ixpk= 1553, nxpk= 20, iat= 237,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 244, 245,
 &end
#
#    6 ARG  HN            5 GLU  HG-         5.50    (#   1554:20        Unique  2.45, 3.26 A)
 &rst
  ixpk= 1554, nxpk= 20, iat=  73,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  65,  66,
 &end
#
#    5 GLU  HN            5 GLU  HG-         5.50    (#   1555:20        Unique  2.14, 3.23 A)
 &rst
  ixpk= 1555, nxpk= 20, iat=  58,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  65,  66,
 &end
#
#    6 ARG  HN            5 GLU  HG+         5.50    (#   1556:20        Unique  2.45, 3.26 A)
 &rst
  ixpk= 1556, nxpk= 20, iat=  73,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  65,  66,
 &end
#
#    5 GLU  HN            5 GLU  HG+         5.00    (#   1557:20        Unique  2.14, 3.23 A)
 &rst
  ixpk= 1557, nxpk= 20, iat=  58,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  65,  66,
 &end
#
#   23 GLU  HN           23 GLU  HG-         5.00    (#   1558:20        Unique  2.87, 3.36 A)
 &rst
  ixpk= 1558, nxpk= 20, iat= 357,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 364, 365,
 &end
#
#   73 GLU  HN           73 GLU  HG-         3.00    (#   1559:20        Unique  2.68, 4.13 A)
 &rst
  ixpk= 1559, nxpk= 20, iat=1181,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1188,1189,
 &end
#
#   64 GLU  HN           63 VAL  HB          3.00    (#   1560:20        Unique  2.05, 2.30 A)
 &rst
  ixpk= 1560, nxpk= 20, iat=1059,1047, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   82 VAL  HA            0 AMB  20-1:1561   4.00    (#   1561:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1561, nxpk= 20, iat=1331,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1047,1066,1067,
 &end
#
#   63 VAL  HA           63 VAL  HB          3.00    (#   1562:20        Unique  2.35, 2.51 A)
 &rst
  ixpk= 1562, nxpk= 20, iat=1045,1047, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  112 ALA  HN          111 GLU  HG+         4.40    (#   1565:20        Unique  4.40, 4.63 A)
 &rst
  ixpk= 1565, nxpk= 20, iat=1756,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2=1748,1749,
 &end
#
#   17 GLU  HN           17 GLU  HG-         5.00    (#   1566:20        Unique  2.90, 3.52 A)
 &rst
  ixpk= 1566, nxpk= 20, iat= 266,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 273, 274,
 &end
#
#   18 ILE  HN           17 GLU  HG-         6.00    (#   1567:20        Unique  4.17, 4.54 A)
 &rst
  ixpk= 1567, nxpk= 20, iat= 281,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 273, 274,
 &end
#
#    0 AMB  20-2:1568     0 AMB  20-1:1568   5.50    (#   1568:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1568, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 977, 862,
 igr2= 984, 985, 984, 985,
 &end
#
#   79 TYR  HE           73 GLU  HG-         6.00    (#   1569:20        Unique  1.97, 5.88 A)
 &rst
  ixpk= 1569, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1287,1292,
 igr2=1188,1189,
 &end
#
#    0 AMB  20-2:1570    59 GLU  HG-         5.50    (#   1570:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1570, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 862, 992,
 igr2= 984, 985,
 &end
#
#   41 GLU  HN           41 GLU  HG+         3.00    (#   1572:20        Unique  2.05, 3.03 A)
 &rst
  ixpk= 1572, nxpk= 20, iat= 657,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 664, 665,
 &end
#
#   44 PHE  HN           43 PRO  HB-         4.00    (#   1573:20        Unique  2.81, 3.29 A)
 &rst
  ixpk= 1573, nxpk= 20, iat= 706,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 699, 700,
 &end
#
#  102 ALA  HN          101 GLU  HG-         4.00    (#   1574:20        Unique  1.90, 3.62 A)
 &rst
  ixpk= 1574, nxpk= 20, iat=1617,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1609,1610,
 &end
#
#  126 PHE  HN          125 LYS  HB+         4.00    (#   1575:20        Unique  2.73, 4.10 A)
 &rst
  ixpk= 1575, nxpk= 20, iat=1998,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1980,1981,
 &end
#
#  125 LYS  HN          125 LYS  HB+         4.00    (#   1576:20        Unique  2.77, 3.67 A)
 &rst
  ixpk= 1576, nxpk= 20, iat=1976,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1980,1981,
 &end
#
#  126 PHE  HN          125 LYS  HB-         4.00    (#   1577:20        Unique  2.73, 4.10 A)
 &rst
  ixpk= 1577, nxpk= 20, iat=1998,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1980,1981,
 &end
#
#  125 LYS  HN          125 LYS  HB-         4.00    (#   1578:20        Unique  2.77, 3.67 A)
 &rst
  ixpk= 1578, nxpk= 20, iat=1976,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1980,1981,
 &end
#
#   48 TRP  HN           61 LYS  HB-         4.50    (#   1579:20        Unique  3.41, 3.90 A)
 &rst
  ixpk= 1579, nxpk= 20, iat= 772,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1011,1012,
 &end
#
#   62 THR  HN           61 LYS  HB-         4.00    (#   1580:20        Unique  4.00, 4.38 A)
 &rst
  ixpk= 1580, nxpk= 20, iat=1029,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1011,1012,
 &end
#
#   61 LYS  HN           61 LYS  HB-         3.50    (#   1581:20        Unique  2.33, 2.81 A)
 &rst
  ixpk= 1581, nxpk= 20, iat=1007,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1011,1012,
 &end
#
#    0 AMB  20-2:1582    61 LYS  HB-         6.00    (#   1582:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1582, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 780,1482,1491,
 igr2=1011,1012,
 &end
#
#   48 TRP  HN           61 LYS  HB+         4.50    (#   1583:20        Unique  3.41, 3.90 A)
 &rst
  ixpk= 1583, nxpk= 20, iat= 772,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1011,1012,
 &end
#
#   62 THR  HN           61 LYS  HB+         4.80    (#   1584:20        Unique  4.00, 4.38 A)
 &rst
  ixpk= 1584, nxpk= 20, iat=1029,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1011,1012,
 &end
#
#   61 LYS  HN           61 LYS  HB+         3.50    (#   1585:20        Unique  2.33, 2.81 A)
 &rst
  ixpk= 1585, nxpk= 20, iat=1007,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1011,1012,
 &end
#
#   60 GLU  HA           61 LYS  HB+         5.00    (#   1586:20        Unique  3.98, 4.68 A)
 &rst
  ixpk= 1586, nxpk= 20, iat= 994,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1011,1012,
 &end
#
#    0 AMB  20-2:1587     0 AMB  20-1:1587   6.50    (#   1587:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1587, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.84, r4=10.34,
 igr1= 780,1482,1491,
 igr2=1011,1012,1011,1012,
 &end
#
#    8 GLU  HN            8 GLU  HG+         3.00    (#   1588:20        Unique  2.39, 3.26 A)
 &rst
  ixpk= 1588, nxpk= 20, iat= 109,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 116, 117,
 &end
#
#    9 THR  HN            8 GLU  HG+         5.00    (#   1589:20        Unique  4.41, 4.73 A)
 &rst
  ixpk= 1589, nxpk= 20, iat= 124,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 116, 117,
 &end
#
#   82 VAL  HA           82 VAL  HB          3.00    (#   1590:20        Unique  2.36, 2.57 A)
 &rst
  ixpk= 1590, nxpk= 20, iat=1331,1333, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   67 GLY  HN           80 VAL  HB          4.00    (#   1593:20        Unique  2.27, 3.08 A)
 &rst
  ixpk= 1593, nxpk= 20, iat=1109,1302, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:1594    82 VAL  HB          4.50    (#   1594:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1594, nxpk= 20, iat=  -1,1333, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1345,1059,
 &end
#
#   78 MET  HA           78 MET  HB-         3.50    (#   1595:20        Unique  2.23, 2.71 A)
 &rst
  ixpk= 1595, nxpk= 20, iat=1262,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1264,1265,
 &end
#
#    0 AMB  20-2:1596     0 AMB  20-1:1596   3.00    (#   1596:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1596, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1300,1228,
 igr2=1302,1230,1231,
 &end
#
#  105 VAL  HN          105 VAL  HB          4.20    (#   1598:20        Unique  3.72, 3.79 A)
 &rst
  ixpk= 1598, nxpk= 20, iat=1658,1662, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   76 LYS  HN           76 LYS  HB-         4.00    (#   1599:20        Unique  2.99, 3.61 A)
 &rst
  ixpk= 1599, nxpk= 20, iat=1226,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1230,1231,
 &end
#
#   76 LYS  HA           76 LYS  HB-         3.00    (#   1600:20        Unique  2.27, 2.61 A)
 &rst
  ixpk= 1600, nxpk= 20, iat=1228,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1230,1231,
 &end
#
#   76 LYS  HN           76 LYS  HB+         4.00    (#   1601:20        Unique  2.99, 3.61 A)
 &rst
  ixpk= 1601, nxpk= 20, iat=1226,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1230,1231,
 &end
#
#    0 AMB  20-2:1602     0 AMB  20-1:1602   5.00    (#   1602:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1602, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1207, 714, 722,
 igr2=1230,1231,1302,
 &end
#
#  106 ASP  HN          105 VAL  HB          4.00    (#   1603:20        Unique  1.94, 2.15 A)
 &rst
  ixpk= 1603, nxpk= 20, iat=1674,1662, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   77 ASP  HN           76 LYS  HB-         4.00    (#   1604:20        Unique  2.35, 3.34 A)
 &rst
  ixpk= 1604, nxpk= 20, iat=1248,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1230,1231,
 &end
#
#   48 TRP  HN           47 LYS  HB+         5.00    (#   1605:20        Unique  3.92, 4.33 A)
 &rst
  ixpk= 1605, nxpk= 20, iat= 772,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 754, 755,
 &end
#
#   47 LYS  HN           47 LYS  HB+         3.00    (#   1606:20        Unique  2.14, 2.70 A)
 &rst
  ixpk= 1606, nxpk= 20, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 754, 755,
 &end
#
#   47 LYS  HA           47 LYS  HB+         3.00    (#   1607:20        Unique  2.73, 2.85 A)
 &rst
  ixpk= 1607, nxpk= 20, iat= 752,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 754, 755,
 &end
#
#   47 LYS  HN           47 LYS  HB-         3.00    (#   1608:20        Unique  2.14, 2.70 A)
 &rst
  ixpk= 1608, nxpk= 20, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 754, 755,
 &end
#
#   47 LYS  HA           47 LYS  HB-         3.00    (#   1610:20        Unique  2.73, 2.85 A)
 &rst
  ixpk= 1610, nxpk= 20, iat= 752,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 754, 755,
 &end
#
#   48 TRP  HN           47 LYS  HB-         4.00    (#   1611:20        Unique  3.92, 4.33 A)
 &rst
  ixpk= 1611, nxpk= 20, iat= 772,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 754, 755,
 &end
#
#    4 VAL  HN            4 VAL  HB          3.50    (#   1613:20        Unique  2.71, 2.87 A)
 &rst
  ixpk= 1613, nxpk= 20, iat=  42,  46, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   93 TYR  HN           92 VAL  HB          6.00    (#   1615:20        Unique  3.43, 3.71 A)
 &rst
  ixpk= 1615, nxpk= 20, iat=1474,1462, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   92 VAL  HN           92 VAL  HB          3.00    (#   1616:20        Unique  3.20, 3.55 A)
 &rst
  ixpk= 1616, nxpk= 20, iat=1458,1462, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  111 GLU  HN          110 GLN  HG+         5.00    (#   1618:20        Unique  3.79, 4.48 A)
 &rst
  ixpk= 1618, nxpk= 20, iat=1741,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1731,1732,
 &end
#
#  110 GLN  HN          110 GLN  HG+         4.00    (#   1619:20        Unique  4.00, 4.39 A)
 &rst
  ixpk= 1619, nxpk= 20, iat=1724,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1731,1732,
 &end
#
#  110 GLN  HE2-        110 GLN  HG+         4.00    (#   1622:20        Unique  2.28, 3.37 A)
 &rst
  ixpk= 1622, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1736,1737,
 igr2=1731,1732,
 &end
#
#  110 GLN  HE2+        110 GLN  HG+         4.00    (#   1623:20        Unique  2.28, 3.37 A)
 &rst
  ixpk= 1623, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1736,1737,
 igr2=1731,1732,
 &end
#
#   51 LYS  HN           50 LYS  HB+         4.00    (#   1624:20        Unique  3.14, 3.78 A)
 &rst
  ixpk= 1624, nxpk= 20, iat= 840,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 822, 823,
 &end
#
#   50 LYS  HN           50 LYS  HB+         3.00    (#   1625:20        Unique  2.40, 2.61 A)
 &rst
  ixpk= 1625, nxpk= 20, iat= 818,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 822, 823,
 &end
#
#  124 TYR  HN          124 TYR  HB+         4.00    (#   1626:20        Unique  2.39, 3.11 A)
 &rst
  ixpk= 1626, nxpk= 20, iat=1955,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1959,1960,
 &end
#
#   50 LYS  HN           50 LYS  HB-         3.00    (#   1628:20        Unique  2.40, 2.61 A)
 &rst
  ixpk= 1628, nxpk= 20, iat= 818,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 822, 823,
 &end
#
#  124 TYR  HN          124 TYR  HB-         3.00    (#   1630:20        Unique  2.39, 3.11 A)
 &rst
  ixpk= 1630, nxpk= 20, iat=1955,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1959,1960,
 &end
#
#   30 MET  HN           30 MET  HB+         3.50    (#   1631:20        Unique  2.52, 3.09 A)
 &rst
  ixpk= 1631, nxpk= 20, iat= 470,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 474, 475,
 &end
#
#   30 MET  HN           30 MET  HB-         3.50    (#   1632:20        Unique  2.52, 3.09 A)
 &rst
  ixpk= 1632, nxpk= 20, iat= 470,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 474, 475,
 &end
#
#   45 MET  HN           45 MET  HB-         3.00    (#   1633:20        Unique  2.15, 2.87 A)
 &rst
  ixpk= 1633, nxpk= 20, iat= 726,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 730, 731,
 &end
#
#   30 MET  HN           30 MET  HG+         3.50    (#   1634:20        Unique  1.92, 2.81 A)
 &rst
  ixpk= 1634, nxpk= 20, iat= 470,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 477, 478,
 &end
#
#   46 GLY  HN           45 MET  HB+         4.00    (#   1635:20        Unique  2.96, 3.72 A)
 &rst
  ixpk= 1635, nxpk= 20, iat= 743,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 730, 731,
 &end
#
#   44 PHE  HA           45 MET  HB+         5.50    (#   1636:20        Unique  4.14, 4.83 A)
 &rst
  ixpk= 1636, nxpk= 20, iat= 708,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 730, 731,
 &end
#
#  125 LYS  HN          124 TYR  HB+         3.50    (#   1637:20        Unique  1.60, 3.11 A)
 &rst
  ixpk= 1637, nxpk= 20, iat=1976,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1959,1960,
 &end
#
#   45 MET  HA           45 MET  HB-         3.00    (#   1639:20        Unique  2.23, 2.49 A)
 &rst
  ixpk= 1639, nxpk= 20, iat= 728,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 730, 731,
 &end
#
#   46 GLY  HN           45 MET  HB-         5.00    (#   1640:20        Unique  2.96, 3.72 A)
 &rst
  ixpk= 1640, nxpk= 20, iat= 743,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 730, 731,
 &end
#
#   45 MET  HA           45 MET  HB+         3.00    (#   1641:20        Unique  2.23, 2.49 A)
 &rst
  ixpk= 1641, nxpk= 20, iat= 728,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 730, 731,
 &end
#
#   45 MET  HN           45 MET  HB+         3.80    (#   1642:20        Unique  2.15, 2.87 A)
 &rst
  ixpk= 1642, nxpk= 20, iat= 726,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2= 730, 731,
 &end
#
#   30 MET  HN           30 MET  HG-         3.50    (#   1643:20        Unique  1.92, 2.81 A)
 &rst
  ixpk= 1643, nxpk= 20, iat= 470,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 477, 478,
 &end
#
#   51 LYS  HN           51 LYS  HB-         3.00    (#   1644:20        Unique  2.06, 2.88 A)
 &rst
  ixpk= 1644, nxpk= 20, iat= 840,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 844, 845,
 &end
#
#   89 ASP  HN           88 LYS  HB+         4.50    (#   1645:20        Unique  2.67, 3.52 A)
 &rst
  ixpk= 1645, nxpk= 20, iat=1422,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1404,1405,
 &end
#
#    0 AMB  20-2:1646    88 LYS  HB-         4.50    (#   1646:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1646, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1434,1422,
 igr2=1404,1405,
 &end
#
#   45 MET  HN           45 MET  HG+         4.00    (#   1647:20        Unique  3.12, 3.34 A)
 &rst
  ixpk= 1647, nxpk= 20, iat= 726,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 733, 734,
 &end
#
#   46 GLY  HN           45 MET  HG+         5.00    (#   1648:20        Unique  3.18, 4.09 A)
 &rst
  ixpk= 1648, nxpk= 20, iat= 743,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 733, 734,
 &end
#
#   45 MET  HA           45 MET  HG+         4.00    (#   1649:20        Unique  3.26, 3.77 A)
 &rst
  ixpk= 1649, nxpk= 20, iat= 728,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 733, 734,
 &end
#
#   44 PHE  HA           45 MET  HG+         6.50    (#   1650:20        Unique  5.17, 5.43 A)
 &rst
  ixpk= 1650, nxpk= 20, iat= 708,  -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr2= 733, 734,
 &end
#
#   45 MET  HN           45 MET  HG-         4.00    (#   1651:20        Unique  3.12, 3.34 A)
 &rst
  ixpk= 1651, nxpk= 20, iat= 726,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 733, 734,
 &end
#
#   46 GLY  HN           45 MET  HG-         4.00    (#   1652:20        Unique  3.18, 4.09 A)
 &rst
  ixpk= 1652, nxpk= 20, iat= 743,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 733, 734,
 &end
#
#   45 MET  HA           45 MET  HG-         4.00    (#   1653:20        Unique  3.26, 3.77 A)
 &rst
  ixpk= 1653, nxpk= 20, iat= 728,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 733, 734,
 &end
#
#   46 GLY  HA-          45 MET  HG-         5.00    (#   1654:20        Unique  3.03, 4.70 A)
 &rst
  ixpk= 1654, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 745, 746,
 igr2= 733, 734,
 &end
#
#   71 ASP  HN           70 PRO  HB+         3.50    (#   1656:20        Unique  2.18, 3.15 A)
 &rst
  ixpk= 1656, nxpk= 20, iat=1157,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1150,1151,
 &end
#
#   96 LYS  HN           96 LYS  HB+         4.00    (#   1657:20        Unique  3.29, 3.82 A)
 &rst
  ixpk= 1657, nxpk= 20, iat=1519,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1523,1524,
 &end
#
#   96 LYS  HN           96 LYS  HB-         4.00    (#   1659:20        Unique  3.29, 3.82 A)
 &rst
  ixpk= 1659, nxpk= 20, iat=1519,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1523,1524,
 &end
#
#   49 LYS  HN           49 LYS  HB-         3.80    (#   1660:20        Unique  2.73, 3.17 A)
 &rst
  ixpk= 1660, nxpk= 20, iat= 796,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2= 800, 801,
 &end
#
#   23 GLU  HN           23 GLU  HB+         3.00    (#   1661:20        Unique  2.59, 3.25 A)
 &rst
  ixpk= 1661, nxpk= 20, iat= 357,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 361, 362,
 &end
#
#   49 LYS  HN           49 LYS  HB+         3.00    (#   1662:20        Unique  2.73, 3.17 A)
 &rst
  ixpk= 1662, nxpk= 20, iat= 796,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 800, 801,
 &end
#
#    0 AMB  20-2:1664     0 AMB  20-1:1664   6.00    (#   1664:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1664, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 528, 533, 281,
 igr2=1123,1124, 270, 271,
 &end
#
#    0 AMB  20-2:1666     0 AMB  20-1:1666   4.00    (#   1666:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1666, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1074, 772,
 igr2=1063,1064,1606,1607,
 &end
#
#   64 GLU  HN           64 GLU  HB+         3.00    (#   1667:20        Unique  2.51, 2.89 A)
 &rst
  ixpk= 1667, nxpk= 20, iat=1059,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1063,1064,
 &end
#
#   17 GLU  HN           17 GLU  HB-         5.00    (#   1671:20        Unique  2.76, 3.34 A)
 &rst
  ixpk= 1671, nxpk= 20, iat= 266,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 270, 271,
 &end
#
#   65 VAL  HN           64 GLU  HB-         5.00    (#   1672:20        Unique  4.19, 4.31 A)
 &rst
  ixpk= 1672, nxpk= 20, iat=1074,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1063,1064,
 &end
#
#   64 GLU  HN           64 GLU  HB-         3.00    (#   1673:20        Unique  2.51, 2.89 A)
 &rst
  ixpk= 1673, nxpk= 20, iat=1059,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1063,1064,
 &end
#
#  101 GLU  HN          101 GLU  HB+         3.00    (#   1675:20        Unique  2.55, 2.84 A)
 &rst
  ixpk= 1675, nxpk= 20, iat=1602,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1606,1607,
 &end
#
#  100 ILE  HA          101 GLU  HB+         4.00    (#   1676:20        Unique  4.19, 4.49 A)
 &rst
  ixpk= 1676, nxpk= 20, iat=1585,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1606,1607,
 &end
#
#   68 MET  HN           68 MET  HG-         4.00    (#   1677:20        Unique  1.69, 4.06 A)
 &rst
  ixpk= 1677, nxpk= 20, iat=1116,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1123,1124,
 &end
#
#   46 GLY  HA-         101 GLU  HB-         5.00    (#   1678:20        Unique  3.84, 5.21 A)
 &rst
  ixpk= 1678, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 745, 746,
 igr2=1606,1607,
 &end
#
#   60 GLU  HA           60 GLU  HB+         3.00    (#   1679:20        Unique  2.43, 2.77 A)
 &rst
  ixpk= 1679, nxpk= 20, iat= 994,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 996, 997,
 &end
#
#    0 AMB  20-2:1680     0 AMB  20-1:1680   4.00    (#   1680:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1680, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1007, 873,
 igr2= 996, 997, 981, 982,
 &end
#
#   50 LYS  HN           59 GLU  HB+         4.80    (#   1681:20        Unique  3.39, 4.20 A)
 &rst
  ixpk= 1681, nxpk= 20, iat= 818,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 981, 982,
 &end
#
#    0 AMB  20-2:1682     0 AMB  20-1:1682   5.00    (#   1682:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1682, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 992, 862,
 igr2= 996, 997, 981, 982,
 &end
#
#   18 ILE  HN           17 GLU  HB-         5.00    (#   1683:20        Unique  2.65, 3.36 A)
 &rst
  ixpk= 1683, nxpk= 20, iat= 281,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 270, 271,
 &end
#
#    0 AMB  20-2:1684    59 GLU  HB-         5.50    (#   1684:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1684, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 862, 992,
 igr2= 981, 982,
 &end
#
#    0 AMB  20-2:1685     0 AMB  20-1:1685   5.00    (#   1685:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1685, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 752, 745, 746,
 igr2= 776, 777, 776, 777,
 &end
#
#   48 TRP  HN           48 TRP  HB+         3.00    (#   1686:20        Unique  2.33, 2.55 A)
 &rst
  ixpk= 1686, nxpk= 20, iat= 772,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 776, 777,
 &end
#
#    0 AMB  20-2:1688    48 TRP  HB-         5.00    (#   1688:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1688, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 752, 745, 746,
 igr2= 776, 777,
 &end
#
#   48 TRP  HN           48 TRP  HB-         3.00    (#   1689:20        Unique  2.33, 2.55 A)
 &rst
  ixpk= 1689, nxpk= 20, iat= 772,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 776, 777,
 &end
#
#   48 TRP  HA           48 TRP  HB-         3.50    (#   1690:20        Unique  2.51, 2.78 A)
 &rst
  ixpk= 1690, nxpk= 20, iat= 774,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 776, 777,
 &end
#
#   48 TRP  HA           48 TRP  HB+         3.50    (#   1691:20        Unique  2.51, 2.78 A)
 &rst
  ixpk= 1691, nxpk= 20, iat= 774,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 776, 777,
 &end
#
#   61 LYS  HN           48 TRP  HB+         4.00    (#   1692:20        Unique  2.30, 3.41 A)
 &rst
  ixpk= 1692, nxpk= 20, iat=1007,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 776, 777,
 &end
#
#   61 LYS  HN           48 TRP  HB+         4.00    (#   1693:20        Unique  2.30, 3.41 A)
 &rst
  ixpk= 1693, nxpk= 20, iat=1007,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 776, 777,
 &end
#
#    6 ARG  HN            6 ARG  HB-         3.00    (#   1694:20        Unique  2.38, 3.35 A)
 &rst
  ixpk= 1694, nxpk= 20, iat=  73,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=  77,  78,
 &end
#
#   21 ASP  HN           20 VAL  HB          4.50    (#   1698:20        Unique  1.80, 1.87 A)
 &rst
  ixpk= 1698, nxpk= 20, iat= 335, 323, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   20 VAL  HN           20 VAL  HB          4.00    (#   1699:20        Unique  3.56, 3.64 A)
 &rst
  ixpk= 1699, nxpk= 20, iat= 319, 323, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   81 GLU  HN           81 GLU  HB+         3.50    (#   1700:20        Unique  2.18, 2.88 A)
 &rst
  ixpk= 1700, nxpk= 20, iat=1314,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1318,1319,
 &end
#
#   81 GLU  HA           81 GLU  HB+         3.00    (#   1701:20        Unique  2.58, 2.81 A)
 &rst
  ixpk= 1701, nxpk= 20, iat=1316,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1318,1319,
 &end
#
#   81 GLU  HN           81 GLU  HB-         4.00    (#   1702:20        Unique  2.18, 2.88 A)
 &rst
  ixpk= 1702, nxpk= 20, iat=1314,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1318,1319,
 &end
#
#   81 GLU  HA           81 GLU  HB-         3.50    (#   1703:20        Unique  2.58, 2.81 A)
 &rst
  ixpk= 1703, nxpk= 20, iat=1316,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1318,1319,
 &end
#
#   15 GLU  HN           15 GLU  HB+         3.00    (#   1705:20        Unique  2.13, 2.63 A)
 &rst
  ixpk= 1705, nxpk= 20, iat= 237,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 241, 242,
 &end
#
#    0 AMB  20-2:1706     0 AMB  20-1:1706   4.00    (#   1706:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1706, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 372, 252,
 igr2= 425, 426, 241, 242,
 &end
#
#    6 ARG  HN            5 GLU  HB+         5.00    (#   1707:20        Unique  1.85, 2.71 A)
 &rst
  ixpk= 1707, nxpk= 20, iat=  73,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  62,  63,
 &end
#
#    5 GLU  HN            5 GLU  HB+         5.50    (#   1708:20        Unique  2.37, 3.06 A)
 &rst
  ixpk= 1708, nxpk= 20, iat=  58,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  62,  63,
 &end
#
#   15 GLU  HN           15 GLU  HB-         3.00    (#   1709:20        Unique  2.13, 2.63 A)
 &rst
  ixpk= 1709, nxpk= 20, iat= 237,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 241, 242,
 &end
#
#  113 ILE  HN          113 ILE  HG1+        3.50    (#   1711:20        Unique  1.96, 3.10 A)
 &rst
  ixpk= 1711, nxpk= 20, iat=1766,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1776,1777,
 &end
#
#    5 GLU  HN            5 GLU  HB-         5.00    (#   1712:20        Unique  2.37, 3.06 A)
 &rst
  ixpk= 1712, nxpk= 20, iat=  58,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  62,  63,
 &end
#
#  113 ILE  HN          113 ILE  HG1-        3.50    (#   1714:20        Unique  1.96, 3.10 A)
 &rst
  ixpk= 1714, nxpk= 20, iat=1766,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1776,1777,
 &end
#
#  117 LEU  HN          116 TRP  HB-         4.00    (#   1715:20        Unique  2.25, 3.28 A)
 &rst
  ixpk= 1715, nxpk= 20, iat=1831,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1811,1812,
 &end
#
#  111 GLU  HN          111 GLU  HB+         3.00    (#   1716:20        Unique  2.44, 3.04 A)
 &rst
  ixpk= 1716, nxpk= 20, iat=1741,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1745,1746,
 &end
#
#  112 ALA  HN          111 GLU  HB+         3.00    (#   1717:20        Unique  2.40, 2.91 A)
 &rst
  ixpk= 1717, nxpk= 20, iat=1756,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1745,1746,
 &end
#
#   73 GLU  HN           73 GLU  HB-         3.50    (#   1718:20        Unique  2.51, 3.13 A)
 &rst
  ixpk= 1718, nxpk= 20, iat=1181,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1185,1186,
 &end
#
#   13 ARG  HN           13 ARG  HB+         3.50    (#   1719:20        Unique  2.70, 3.19 A)
 &rst
  ixpk= 1719, nxpk= 20, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 198, 199,
 &end
#
#  116 TRP  HN          116 TRP  HB+         3.00    (#   1721:20        Unique  2.12, 2.57 A)
 &rst
  ixpk= 1721, nxpk= 20, iat=1807,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1811,1812,
 &end
#
#  116 TRP  HN          116 TRP  HB-         3.00    (#   1722:20        Unique  2.12, 2.57 A)
 &rst
  ixpk= 1722, nxpk= 20, iat=1807,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1811,1812,
 &end
#
#   25 LYS  HN           25 LYS  HD+         4.20    (#   1723:20        Unique  1.93, 3.17 A)
 &rst
  ixpk= 1723, nxpk= 20, iat= 384,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 394, 395,
 &end
#
#   96 LYS  HN           96 LYS  HD+         4.20    (#   1725:20        Unique  2.32, 3.47 A)
 &rst
  ixpk= 1725, nxpk= 20, iat=1519,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2=1529,1530,
 &end
#
#   65 VAL  HN           65 VAL  HB          4.00    (#   1727:20        Unique  2.32, 2.50 A)
 &rst
  ixpk= 1727, nxpk= 20, iat=1074,1078, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   74 CYS  HN           74 CYS  HB+         3.80    (#   1728:20        Unique  2.45, 3.14 A)
 &rst
  ixpk= 1728, nxpk= 20, iat=1196,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2=1200,1201,
 &end
#
#   74 CYS  HA           74 CYS  HB+         3.00    (#   1729:20        Unique  2.38, 2.57 A)
 &rst
  ixpk= 1729, nxpk= 20, iat=1198,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1200,1201,
 &end
#
#   74 CYS  HA           74 CYS  HB-         3.00    (#   1730:20        Unique  2.38, 2.57 A)
 &rst
  ixpk= 1730, nxpk= 20, iat=1198,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1200,1201,
 &end
#
#   74 CYS  HN           74 CYS  HB-         4.50    (#   1731:20        Unique  2.45, 3.14 A)
 &rst
  ixpk= 1731, nxpk= 20, iat=1196,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1200,1201,
 &end
#
#    0 AMB  20-2:1734     0 AMB  20-1:1734   5.00    (#   1734:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1734, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 796,1007,
 igr2= 806, 807, 806, 807,
 &end
#
#   44 PHE  HN           65 VAL  HB          4.50    (#   1736:20        Unique  1.70, 2.08 A)
 &rst
  ixpk= 1736, nxpk= 20, iat= 706,1078, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    8 GLU  HN            8 GLU  HB+         4.00    (#   1737:20        Unique  2.60, 3.76 A)
 &rst
  ixpk= 1737, nxpk= 20, iat= 109,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 113, 114,
 &end
#
#    8 GLU  HN            8 GLU  HB-         4.00    (#   1738:20        Unique  2.60, 3.76 A)
 &rst
  ixpk= 1738, nxpk= 20, iat= 109,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 113, 114,
 &end
#
#   76 LYS  HA           76 LYS  HD+         4.20    (#   1740:20        Unique  3.89, 4.51 A)
 &rst
  ixpk= 1740, nxpk= 20, iat=1228,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2=1236,1237,
 &end
#
#   51 LYS  HN           51 LYS  HD+         5.00    (#   1742:20        Unique  3.10, 3.91 A)
 &rst
  ixpk= 1742, nxpk= 20, iat= 840,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 850, 851,
 &end
#
#   47 LYS  HA           47 LYS  HD-         3.00    (#   1744:20        Unique  1.85, 2.38 A)
 &rst
  ixpk= 1744, nxpk= 20, iat= 752,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 760, 761,
 &end
#
#    0 AMB  20-2:1745     0 AMB  20-1:1745   4.00    (#   1745:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1745, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1029,1355,
 igr2= 760, 761,1017,1018,1017,1018,
 &end
#
#   93 TYR  HD           61 LYS  HD+         6.50    (#   1746:20        Unique  3.74, 6.04 A)
 &rst
  ixpk= 1746, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
 igr1=1482,1491,
 igr2=1017,1018,
 &end
#
#   26 GLU  HN           26 GLU  HB+         3.00    (#   1751:20        Unique  2.32, 3.02 A)
 &rst
  ixpk= 1751, nxpk= 20, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 410, 411,
 &end
#
#   27 GLU  HN           26 GLU  HB+         3.50    (#   1752:20        Unique  2.10, 2.73 A)
 &rst
  ixpk= 1752, nxpk= 20, iat= 421,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 410, 411,
 &end
#
#  110 GLN  HN          110 GLN  HB+         3.00    (#   1753:20        Unique  2.15, 2.56 A)
 &rst
  ixpk= 1753, nxpk= 20, iat=1724,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1728,1729,
 &end
#
#  111 GLU  HN          110 GLN  HB+         3.50    (#   1754:20        Unique  2.07, 2.75 A)
 &rst
  ixpk= 1754, nxpk= 20, iat=1741,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1728,1729,
 &end
#
#   26 GLU  HN           26 GLU  HB-         3.80    (#   1755:20        Unique  2.32, 3.02 A)
 &rst
  ixpk= 1755, nxpk= 20, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2= 410, 411,
 &end
#
#  111 GLU  HN          110 GLN  HB-         3.00    (#   1756:20        Unique  2.07, 2.75 A)
 &rst
  ixpk= 1756, nxpk= 20, iat=1741,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1728,1729,
 &end
#
#  110 GLN  HN          110 GLN  HB-         3.00    (#   1757:20        Unique  2.15, 2.56 A)
 &rst
  ixpk= 1757, nxpk= 20, iat=1724,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1728,1729,
 &end
#
#  125 LYS  HN          125 LYS  HD+         5.00    (#   1758:20        Unique  3.28, 4.36 A)
 &rst
  ixpk= 1758, nxpk= 20, iat=1976,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1986,1987,
 &end
#
#   61 LYS  HN            0 AMB  20-1:1759   5.00    (#   1759:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1759, nxpk= 20, iat=1007,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 760, 761,1017,1018,
 &end
#
#   48 TRP  HZ3          61 LYS  HD+         6.00    (#   1761:20        Unique  5.00, 5.78 A)
 &rst
  ixpk= 1761, nxpk= 20, iat= 789,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1017,1018,
 &end
#
#    7 ASP  HN            6 ARG  HG+         4.40    (#   1763:20        Unique  1.97, 3.10 A)
 &rst
  ixpk= 1763, nxpk= 20, iat=  97,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2=  80,  81,
 &end
#
#    6 ARG  HN            6 ARG  HG+         5.00    (#   1764:20        Unique  1.83, 3.25 A)
 &rst
  ixpk= 1764, nxpk= 20, iat=  73,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  80,  81,
 &end
#
#   32 TRP  HN           32 TRP  HB+         3.50    (#   1765:20        Unique  2.19, 2.91 A)
 &rst
  ixpk= 1765, nxpk= 20, iat= 494,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 498, 499,
 &end
#
#   11 GLU  HN           11 GLU  HB-         3.50    (#   1766:20        Unique  2.27, 2.97 A)
 &rst
  ixpk= 1766, nxpk= 20, iat= 162,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 166, 167,
 &end
#
#   41 GLU  HN           41 GLU  HB+         4.00    (#   1768:20        Unique  2.21, 3.12 A)
 &rst
  ixpk= 1768, nxpk= 20, iat= 657,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 661, 662,
 &end
#
#   41 GLU  HN           41 GLU  HB-         4.00    (#   1769:20        Unique  2.21, 3.12 A)
 &rst
  ixpk= 1769, nxpk= 20, iat= 657,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 661, 662,
 &end
#
#  119 TRP  HN          119 TRP  HB+         3.00    (#   1770:20        Unique  2.08, 2.62 A)
 &rst
  ixpk= 1770, nxpk= 20, iat=1871,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1875,1876,
 &end
#
#  119 TRP  HN          119 TRP  HB-         3.00    (#   1771:20        Unique  2.08, 2.62 A)
 &rst
  ixpk= 1771, nxpk= 20, iat=1871,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1875,1876,
 &end
#
#   58 ILE  HN           58 ILE  HG1-        4.00    (#   1772:20        Unique  2.68, 3.44 A)
 &rst
  ixpk= 1772, nxpk= 20, iat= 958,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 968, 969,
 &end
#
#   84 ASP  HA           85 ILE  HG1+        5.00    (#   1773:20        Unique  3.78, 4.32 A)
 &rst
  ixpk= 1773, nxpk= 20, iat=1357,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1377,1378,
 &end
#
#   58 ILE  HN           58 ILE  HG1+        4.00    (#   1774:20        Unique  2.68, 3.44 A)
 &rst
  ixpk= 1774, nxpk= 20, iat= 958,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 968, 969,
 &end
#
#   36 LEU  HN           36 LEU  HG          4.20    (#   1775:20        Unique  4.34, 4.41 A)
 &rst
  ixpk= 1775, nxpk= 20, iat= 581, 588, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   40 LEU  HN           40 LEU  HG          4.00    (#   1776:20        Unique  3.83, 4.08 A)
 &rst
  ixpk= 1776, nxpk= 20, iat= 638, 645, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   76 LYS  HN           75 LEU  HG          5.50    (#   1777:20        Unique  4.46, 4.67 A)
 &rst
  ixpk= 1777, nxpk= 20, iat=1226,1214, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   75 LEU  HN           75 LEU  HG          4.50    (#   1778:20        Unique  2.90, 3.06 A)
 &rst
  ixpk= 1778, nxpk= 20, iat=1207,1214, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   74 CYS  HN           75 LEU  HG          6.20    (#   1779:20        Unique  3.68, 3.85 A)
 &rst
  ixpk= 1779, nxpk= 20, iat=1196,1214, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#   85 ILE  HN           85 ILE  HG1-        3.00    (#   1780:20        Unique  1.84, 2.37 A)
 &rst
  ixpk= 1780, nxpk= 20, iat=1367,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1377,1378,
 &end
#
#    0 AMB  20-2:1781    85 ILE  HG1-        4.00    (#   1781:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1781, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1059,1386,1029,
 igr2=1377,1378,
 &end
#
#   63 VAL  HA           85 ILE  HG1-        3.50    (#   1782:20        Unique  1.94, 2.84 A)
 &rst
  ixpk= 1782, nxpk= 20, iat=1045,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1377,1378,
 &end
#
#   85 ILE  HN           85 ILE  HG1+        3.00    (#   1783:20        Unique  1.84, 2.37 A)
 &rst
  ixpk= 1783, nxpk= 20, iat=1367,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1377,1378,
 &end
#
#   63 VAL  HA           85 ILE  HG1+        3.50    (#   1784:20        Unique  1.94, 2.84 A)
 &rst
  ixpk= 1784, nxpk= 20, iat=1045,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1377,1378,
 &end
#
#    0 AMB  20-2:1785     0 AMB  20-1:1785   5.00    (#   1785:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1785, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1059,1386,1029,
 igr2=1377,1378,1377,1378,1377,1378,
 &end
#
#  117 LEU  HN          117 LEU  HG          3.00    (#   1786:20        Unique  2.16, 2.55 A)
 &rst
  ixpk= 1786, nxpk= 20, iat=1831,1838, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:1787   117 LEU  HG          5.00    (#   1787:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1787, nxpk= 20, iat=  -1,1838, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1850,1914,
 &end
#
#   47 LYS  HN          103 ILE  HG1+        5.00    (#   1788:20        Unique  2.38, 4.37 A)
 &rst
  ixpk= 1788, nxpk= 20, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1637,1638,
 &end
#
#  116 TRP  HE1          97 LEU  MDY         6.00    (#   1789:20        Unique  4.00, 6.00 A)
 &rst
  ixpk= 1789, nxpk= 20, iat=1817,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1550,1551,1552,1554,1555,1556,
 &end
#
#   97 LEU  HN           97 LEU  MDY         4.00    (#   1790:20        Unique  1.86, 3.39 A)
 &rst
  ixpk= 1790, nxpk= 20, iat=1541,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1550,1551,1552,1554,1555,1556,
 &end
#
#   44 PHE  HE           97 LEU  MDY         5.00    (#   1791:20        Unique  3.20, 5.71 A)
 &rst
  ixpk= 1791, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 716, 720,
 igr2=1550,1551,1552,1554,1555,1556,
 &end
#
#   47 LYS  HN          103 ILE  HG1-        4.00    (#   1793:20        Unique  2.38, 4.37 A)
 &rst
  ixpk= 1793, nxpk= 20, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1637,1638,
 &end
#
#   46 GLY  HA-         103 ILE  HG1-        5.00    (#   1794:20        Unique  2.89, 5.31 A)
 &rst
  ixpk= 1794, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 745, 746,
 igr2=1637,1638,
 &end
#
#    0 AMB  20-2:1795   103 ILE  HG1-        3.50    (#   1795:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1795, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1627,1646,
 igr2=1637,1638,
 &end
#
#   19 ILE  HN           19 ILE  HG1-        3.00    (#   1796:20        Unique  1.82, 2.66 A)
 &rst
  ixpk= 1796, nxpk= 20, iat= 300,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 310, 311,
 &end
#
#   19 ILE  HN           19 ILE  HG1+        3.00    (#   1797:20        Unique  1.82, 2.66 A)
 &rst
  ixpk= 1797, nxpk= 20, iat= 300,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 310, 311,
 &end
#
#    0 AMB  20-2:1798     0 AMB  20-1:1798   3.50    (#   1798:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1798, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1627,1646,
 igr2=1637,1638,1637,1638,
 &end
#
#   46 GLY  HA-         103 ILE  HG1+        5.00    (#   1799:20        Unique  2.89, 5.31 A)
 &rst
  ixpk= 1799, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 745, 746,
 igr2=1637,1638,
 &end
#
#   96 LYS  HN           96 LYS  HG+         4.00    (#   1802:20        Unique  3.15, 4.15 A)
 &rst
  ixpk= 1802, nxpk= 20, iat=1519,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1526,1527,
 &end
#
#  100 ILE  HN          100 ILE  HG1-        4.00    (#   1803:20        Unique  4.46, 4.71 A)
 &rst
  ixpk= 1803, nxpk= 20, iat=1583,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1593,1594,
 &end
#
#  100 ILE  HA          100 ILE  HG1-        3.00    (#   1804:20        Unique  1.95, 2.62 A)
 &rst
  ixpk= 1804, nxpk= 20, iat=1585,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1593,1594,
 &end
#
#  100 ILE  HN          100 ILE  HG1+        4.00    (#   1805:20        Unique  4.46, 4.71 A)
 &rst
  ixpk= 1805, nxpk= 20, iat=1583,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1593,1594,
 &end
#
#  100 ILE  HA          100 ILE  HG1+        3.00    (#   1806:20        Unique  1.95, 2.62 A)
 &rst
  ixpk= 1806, nxpk= 20, iat=1585,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1593,1594,
 &end
#
#   40 LEU  HN           40 LEU  MDX         4.00    (#   1812:20        Unique  2.04, 3.86 A)
 &rst
  ixpk= 1812, nxpk= 20, iat= 638,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 647, 648, 649, 651, 652, 653,
 &end
#
#  116 TRP  HE1         120 LEU  MDY         4.00    (#   1815:20        Unique  2.34, 4.80 A)
 &rst
  ixpk= 1815, nxpk= 20, iat=1817,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1904,1905,1906,1908,1909,1910,
 &end
#
#  121 ALA  HN          120 LEU  MDY         4.00    (#   1816:20        Unique  2.39, 4.72 A)
 &rst
  ixpk= 1816, nxpk= 20, iat=1914,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1904,1905,1906,1908,1909,1910,
 &end
#
#  120 LEU  HN            0 AMB  20-1:1817   4.00    (#   1817:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1817, nxpk= 20, iat=1895,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2=1904,1905,1906,1908,1909,1910,1928,1929,
 &end
#
#   40 LEU  HN           40 LEU  MDY         4.00    (#   1820:20        Unique  2.04, 3.86 A)
 &rst
  ixpk= 1820, nxpk= 20, iat= 638,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 647, 648, 649, 651, 652, 653,
 &end
#
#    0 AMB  20-2:1821    40 LEU  MDY         3.60    (#   1821:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1821, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 657, 672,
 igr2= 647, 648, 649, 651, 652, 653,
 &end
#
#    0 AMB  20-2:1823     0 AMB  20-1:1823   4.00    (#   1823:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1823, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1=1345,1059,
 igr2=1099,1100,1101,1103,1104,1105,1097,
 &end
#
#   66 LEU  HN            0 AMB  20-1:1824   4.00    (#   1824:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1824, nxpk= 20, iat=1090,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr2=1099,1100,1101,1103,1104,1105,1097,
 &end
#
#   82 VAL  HA           66 LEU  MDY         5.00    (#   1825:20        Unique  2.10, 4.26 A)
 &rst
  ixpk= 1825, nxpk= 20, iat=1331,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1099,1100,1101,1103,1104,1105,
 &end
#
#   18 ILE  HN           18 ILE  HG1-        5.50    (#   1827:20        Unique  2.27, 3.33 A)
 &rst
  ixpk= 1827, nxpk= 20, iat= 281,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 291, 292,
 &end
#
#   36 LEU  HN           36 LEU  MDX         4.00    (#   1829:20        Unique  3.28, 5.03 A)
 &rst
  ixpk= 1829, nxpk= 20, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 590, 591, 592, 594, 595, 596,
 &end
#
#  117 LEU  HN          117 LEU  MDX         4.50    (#   1833:20        Unique  1.94, 4.26 A)
 &rst
  ixpk= 1833, nxpk= 20, iat=1831,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1840,1841,1842,1844,1845,1846,
 &end
#
#    0 AMB  20-2:1834   117 LEU  MDX         4.50    (#   1834:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1834, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1850,1914,
 igr2=1840,1841,1842,1844,1845,1846,
 &end
#
#   76 LYS  HN           75 LEU  MDY         6.00    (#   1835:20        Unique  5.07, 6.06 A)
 &rst
  ixpk= 1835, nxpk= 20, iat=1226,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#   76 LYS  HN           76 LYS  HG+         3.00    (#   1836:20        Unique  2.50, 3.53 A)
 &rst
  ixpk= 1836, nxpk= 20, iat=1226,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1233,1234,
 &end
#
#   77 ASP  HN           76 LYS  HG+         5.00    (#   1837:20        Unique  1.88, 3.95 A)
 &rst
  ixpk= 1837, nxpk= 20, iat=1248,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1233,1234,
 &end
#
#   75 LEU  HN           76 LYS  HG+         5.00    (#   1838:20        Unique  2.79, 4.36 A)
 &rst
  ixpk= 1838, nxpk= 20, iat=1207,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1233,1234,
 &end
#
#   76 LYS  HA           76 LYS  HG+         3.00    (#   1839:20        Unique  2.59, 3.32 A)
 &rst
  ixpk= 1839, nxpk= 20, iat=1228,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1233,1234,
 &end
#
#   49 LYS  HN           49 LYS  HG+         4.00    (#   1840:20        Unique  1.60, 2.62 A)
 &rst
  ixpk= 1840, nxpk= 20, iat= 796,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 803, 804,
 &end
#
#   50 LYS  HN            0 AMB  20-1:1841   6.00    (#   1841:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1841, nxpk= 20, iat= 818,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 803, 804, 757, 758,
 &end
#
#   49 LYS  HN           49 LYS  HG-         3.00    (#   1842:20        Unique  1.60, 2.62 A)
 &rst
  ixpk= 1842, nxpk= 20, iat= 796,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 803, 804,
 &end
#
#   60 GLU  HA           49 LYS  HG-         5.00    (#   1843:20        Unique  4.97, 5.62 A)
 &rst
  ixpk= 1843, nxpk= 20, iat= 994,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 803, 804,
 &end
#
#   75 LEU  HN           75 LEU  MDY         4.50    (#   1844:20        Unique  3.49, 4.88 A)
 &rst
  ixpk= 1844, nxpk= 20, iat=1207,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#   47 LYS  HN           47 LYS  HG+         5.00    (#   1845:20        Unique  4.34, 4.53 A)
 &rst
  ixpk= 1845, nxpk= 20, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 757, 758,
 &end
#
#   51 LYS  HN           51 LYS  HG+         4.50    (#   1847:20        Unique  3.83, 4.38 A)
 &rst
  ixpk= 1847, nxpk= 20, iat= 840,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 847, 848,
 &end
#
#   48 TRP  HN           47 LYS  HG+         5.50    (#   1848:20        Unique  3.70, 4.64 A)
 &rst
  ixpk= 1848, nxpk= 20, iat= 772,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 757, 758,
 &end
#
#   47 LYS  HA           47 LYS  HG+         4.00    (#   1849:20        Unique  2.56, 3.12 A)
 &rst
  ixpk= 1849, nxpk= 20, iat= 752,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 757, 758,
 &end
#
#   47 LYS  HN           47 LYS  HG-         5.00    (#   1850:20        Unique  4.34, 4.53 A)
 &rst
  ixpk= 1850, nxpk= 20, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 757, 758,
 &end
#
#   47 LYS  HA           47 LYS  HG-         3.80    (#   1851:20        Unique  2.56, 3.12 A)
 &rst
  ixpk= 1851, nxpk= 20, iat= 752,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2= 757, 758,
 &end
#
#   48 TRP  HN            0 AMB  20-1:1853   5.00    (#   1853:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1853, nxpk= 20, iat= 772,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2=1014,1015,1014,1015,
 &end
#
#   62 THR  HN           61 LYS  HG-         5.00    (#   1854:20        Unique  3.49, 4.28 A)
 &rst
  ixpk= 1854, nxpk= 20, iat=1029,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1014,1015,
 &end
#
#   61 LYS  HN            0 AMB  20-1:1855   4.80    (#   1855:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1855, nxpk= 20, iat=1007,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr2=1014,1015,1014,1015,
 &end
#
#   62 THR  HN           61 LYS  HG+         4.00    (#   1856:20        Unique  3.49, 4.28 A)
 &rst
  ixpk= 1856, nxpk= 20, iat=1029,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1014,1015,
 &end
#
#   25 LYS  HN           25 LYS  HG+         3.50    (#   1857:20        Unique  1.82, 3.07 A)
 &rst
  ixpk= 1857, nxpk= 20, iat= 384,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 391, 392,
 &end
#
#   25 LYS  HN           25 LYS  HG-         4.00    (#   1858:20        Unique  1.82, 3.07 A)
 &rst
  ixpk= 1858, nxpk= 20, iat= 384,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 391, 392,
 &end
#
#   81 GLU  HN           80 VAL  MGY         4.00    (#   1859:20        Unique  2.89, 4.55 A)
 &rst
  ixpk= 1859, nxpk= 20, iat=1314,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1304,1305,1306,1308,1309,1310,
 &end
#
#   69 ALA  HN           80 VAL  MGY         4.50    (#   1860:20        Unique  3.66, 5.81 A)
 &rst
  ixpk= 1860, nxpk= 20, iat=1133,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1304,1305,1306,1308,1309,1310,
 &end
#
#   67 GLY  HN           80 VAL  MGY         4.00    (#   1861:20        Unique  3.36, 4.96 A)
 &rst
  ixpk= 1861, nxpk= 20, iat=1109,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1304,1305,1306,1308,1309,1310,
 &end
#
#   80 VAL  HA           80 VAL  MGY         3.00    (#   1862:20        Unique  2.03, 3.55 A)
 &rst
  ixpk= 1862, nxpk= 20, iat=1300,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1304,1305,1306,1308,1309,1310,
 &end
#
#  125 LYS  HN          125 LYS  HG+         4.00    (#   1863:20        Unique  2.41, 3.50 A)
 &rst
  ixpk= 1863, nxpk= 20, iat=1976,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1983,1984,
 &end
#
#  126 PHE  HN          125 LYS  HG+         5.00    (#   1864:20        Unique  2.13, 4.90 A)
 &rst
  ixpk= 1864, nxpk= 20, iat=1998,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1983,1984,
 &end
#
#   80 VAL  HN           80 VAL  MGY         4.00    (#   1865:20        Unique  2.42, 3.61 A)
 &rst
  ixpk= 1865, nxpk= 20, iat=1298,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1304,1305,1306,1308,1309,1310,
 &end
#
#   42 PHE  HD           80 VAL  MGY         6.00    (#   1866:20        Unique  4.87, 7.89 A)
 &rst
  ixpk= 1866, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 680, 688,
 igr2=1304,1305,1306,1308,1309,1310,
 &end
#
#   50 LYS  HN            0 AMB  20-1:1867   5.00    (#   1867:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1867, nxpk= 20, iat= 818,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 825, 826, 825, 826,
 &end
#
#   76 LYS  HN           75 LEU  MDX         6.00    (#   1869:20        Unique  5.07, 6.06 A)
 &rst
  ixpk= 1869, nxpk= 20, iat=1226,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#    0 AMB  20-2:1870    75 LEU  MDX         5.00    (#   1870:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1870, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 406,1157,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#   30 MET  HN           75 LEU  MDX         5.00    (#   1871:20        Unique  4.91, 7.15 A)
 &rst
  ixpk= 1871, nxpk= 20, iat= 470,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#   75 LEU  HN           75 LEU  MDX         4.00    (#   1873:20        Unique  3.49, 4.88 A)
 &rst
  ixpk= 1873, nxpk= 20, iat=1207,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#   45 MET  HN          105 VAL  MGY         4.00    (#   1874:20        Unique  4.19, 6.36 A)
 &rst
  ixpk= 1874, nxpk= 20, iat= 726,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1664,1665,1666,1668,1669,1670,
 &end
#
#  106 ASP  HN          105 VAL  MGY         3.00    (#   1875:20        Unique  2.61, 4.12 A)
 &rst
  ixpk= 1875, nxpk= 20, iat=1674,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1664,1665,1666,1668,1669,1670,
 &end
#
#   44 PHE  HN          105 VAL  MGY         6.00    (#   1876:20        Unique  6.33, 8.45 A)
 &rst
  ixpk= 1876, nxpk= 20, iat= 706,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1664,1665,1666,1668,1669,1670,
 &end
#
#  105 VAL  HN          105 VAL  MGY         4.00    (#   1877:20        Unique  2.34, 3.31 A)
 &rst
  ixpk= 1877, nxpk= 20, iat=1658,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1664,1665,1666,1668,1669,1670,
 &end
#
#    0 AMB  20-2:1880   105 VAL  MGY         4.00    (#   1880:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1880, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1= 708, 745, 746,
 igr2=1664,1665,1666,1668,1669,1670,
 &end
#
#   93 TYR  HN           82 VAL  MGY         6.50    (#   1882:20        Unique  2.29, 4.73 A)
 &rst
  ixpk= 1882, nxpk= 20, iat=1474,  -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#    0 AMB  20-2:1883    82 VAL  MGY         4.00    (#   1883:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1883, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1329,1059,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#   82 VAL  HA           82 VAL  MGY         3.00    (#   1885:20        Unique  2.16, 3.41 A)
 &rst
  ixpk= 1885, nxpk= 20, iat=1331,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#   63 VAL  HA           82 VAL  MGY         6.00    (#   1886:20        Unique  3.79, 5.32 A)
 &rst
  ixpk= 1886, nxpk= 20, iat=1045,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#   65 VAL  HN           82 VAL  MGY         5.00    (#   1887:20        Unique  2.63, 5.15 A)
 &rst
  ixpk= 1887, nxpk= 20, iat=1074,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#   66 LEU  HN           82 VAL  MGY         5.00    (#   1888:20        Unique  2.77, 5.50 A)
 &rst
  ixpk= 1888, nxpk= 20, iat=1090,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#   67 GLY  HN           82 VAL  MGY         6.00    (#   1889:20        Unique  4.19, 7.09 A)
 &rst
  ixpk= 1889, nxpk= 20, iat=1109,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#    0 AMB  20-2:1890    82 VAL  MGY         8.00    (#   1890:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1890, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1=1476,1300,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#   93 TYR  HN           83 ALA  MB          7.00    (#   1891:20        Unique  4.53, 5.47 A)
 &rst
  ixpk= 1891, nxpk= 20, iat=1474,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1349,1350,1351,
 &end
#
#    0 AMB  20-2:1892    83 ALA  MB          3.00    (#   1892:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1892, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1345,1355,
 igr2=1349,1350,1351,
 &end
#
#   82 VAL  HA           83 ALA  MB          4.00    (#   1893:20        Unique  4.20, 4.84 A)
 &rst
  ixpk= 1893, nxpk= 20, iat=1331,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1349,1350,1351,
 &end
#
#   63 VAL  HA           83 ALA  MB          5.00    (#   1894:20        Unique  5.14, 5.83 A)
 &rst
  ixpk= 1894, nxpk= 20, iat=1045,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1349,1350,1351,
 &end
#
#   83 ALA  HA           83 ALA  MB          3.00    (#   1895:20        Unique  2.29, 2.63 A)
 &rst
  ixpk= 1895, nxpk= 20, iat=1347,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1349,1350,1351,
 &end
#
#    0 AMB  20-2:1896    78 MET  ME          4.00    (#   1896:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1896, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1260,1226,
 igr2=1271,1272,1273,
 &end
#
#    0 AMB  20-2:1897    78 MET  ME          4.00    (#   1897:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1897, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1277, 460,
 igr2=1271,1272,1273,
 &end
#
#   74 CYS  HA           78 MET  ME          5.00    (#   1900:20        Unique  3.11, 4.62 A)
 &rst
  ixpk= 1900, nxpk= 20, iat=1198,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1271,1272,1273,
 &end
#
#   78 MET  HA           78 MET  ME          3.00    (#   1901:20        Unique  1.89, 2.93 A)
 &rst
  ixpk= 1901, nxpk= 20, iat=1262,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1271,1272,1273,
 &end
#
#    0 AMB  20-2:1902    94 THR  MG2         4.00    (#   1902:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1902, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1314,1495,
 igr2=1501,1502,1503,
 &end
#
#   94 THR  HA           94 THR  MG2         3.00    (#   1906:20        Unique  2.02, 2.85 A)
 &rst
  ixpk= 1906, nxpk= 20, iat=1497,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1501,1502,1503,
 &end
#
#   80 VAL  HN           94 THR  MG2         4.00    (#   1907:20        Unique  3.05, 4.10 A)
 &rst
  ixpk= 1907, nxpk= 20, iat=1298,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1501,1502,1503,
 &end
#
#   82 VAL  HN           94 THR  MG2         5.00    (#   1908:20        Unique  4.21, 5.40 A)
 &rst
  ixpk= 1908, nxpk= 20, iat=1329,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1501,1502,1503,
 &end
#
#   69 ALA  HN           94 THR  MG2         5.00    (#   1909:20        Unique  3.54, 4.24 A)
 &rst
  ixpk= 1909, nxpk= 20, iat=1133,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1501,1502,1503,
 &end
#
#   40 LEU  HN           39 THR  MG2         4.00    (#   1911:20        Unique  2.83, 3.94 A)
 &rst
  ixpk= 1911, nxpk= 20, iat= 638,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 630, 631, 632,
 &end
#
#  112 ALA  HN           39 THR  MG2         4.00    (#   1912:20        Unique  3.65, 4.41 A)
 &rst
  ixpk= 1912, nxpk= 20, iat=1756,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 630, 631, 632,
 &end
#
#   63 VAL  HN           63 VAL  MGY         4.00    (#   1914:20        Unique  2.19, 3.56 A)
 &rst
  ixpk= 1914, nxpk= 20, iat=1043,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#   63 VAL  HA           63 VAL  MGY         3.50    (#   1915:20        Unique  1.97, 3.45 A)
 &rst
  ixpk= 1915, nxpk= 20, iat=1045,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#    0 AMB  20-2:1916    63 VAL  MGY         5.00    (#   1916:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1916, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 772,1074,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#    0 AMB  20-2:1917    63 VAL  MGY         4.00    (#   1917:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1917, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1345,1059,1355,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#   85 ILE  HN           63 VAL  MGY         5.00    (#   1918:20        Unique  2.80, 4.96 A)
 &rst
  ixpk= 1918, nxpk= 20, iat=1367,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#   48 TRP  HE3          63 VAL  MGY         3.00    (#   1920:20        Unique  1.84, 3.62 A)
 &rst
  ixpk= 1920, nxpk= 20, iat= 791,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#  117 LEU  HN          117 LEU  MDY         4.00    (#   1921:20        Unique  1.94, 4.26 A)
 &rst
  ixpk= 1921, nxpk= 20, iat=1831,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1840,1841,1842,1844,1845,1846,
 &end
#
#    0 AMB  20-2:1922   117 LEU  MDY         5.00    (#   1922:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1922, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1850,1914,
 igr2=1840,1841,1842,1844,1845,1846,
 &end
#
#    0 AMB  20-2:1923    66 LEU  MDX         4.00    (#   1923:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1923, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1345,1059,
 igr2=1099,1100,1101,1103,1104,1105,
 &end
#
#   66 LEU  HN           66 LEU  MDX         4.00    (#   1924:20        Unique  1.94, 4.01 A)
 &rst
  ixpk= 1924, nxpk= 20, iat=1090,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1099,1100,1101,1103,1104,1105,
 &end
#
#   63 VAL  HN           62 THR  MG2         4.00    (#   1926:20        Unique  2.54, 3.72 A)
 &rst
  ixpk= 1926, nxpk= 20, iat=1043,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1035,1036,1037,
 &end
#
#    0 AMB  20-2:1927    62 THR  MG2         4.00    (#   1927:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1927, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 752, 745, 746,
 igr2=1035,1036,1037,
 &end
#
#   62 THR  HA           62 THR  MG2         3.00    (#   1928:20        Unique  2.34, 2.97 A)
 &rst
  ixpk= 1928, nxpk= 20, iat=1031,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1035,1036,1037,
 &end
#
#    0 AMB  20-2:1929    62 THR  MG2         5.00    (#   1929:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1929, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 772,1074,
 igr2=1035,1036,1037,
 &end
#
#    0 AMB  20-2:1930    62 THR  MG2         4.00    (#   1930:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1930, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1029,1386,
 igr2=1035,1036,1037,
 &end
#
#   65 VAL  HN           66 LEU  MDX         6.00    (#   1931:20        Unique  4.57, 6.45 A)
 &rst
  ixpk= 1931, nxpk= 20, iat=1074,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1099,1100,1101,1103,1104,1105,
 &end
#
#   65 VAL  HN           65 VAL  MGY         4.00    (#   1932:20        Unique  1.92, 3.82 A)
 &rst
  ixpk= 1932, nxpk= 20, iat=1074,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#   66 LEU  HN           65 VAL  MGY         4.00    (#   1933:20        Unique  2.23, 4.12 A)
 &rst
  ixpk= 1933, nxpk= 20, iat=1090,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#   44 PHE  HN           65 VAL  MGY         4.50    (#   1934:20        Unique  1.67, 3.95 A)
 &rst
  ixpk= 1934, nxpk= 20, iat= 706,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#   81 GLU  HN           65 VAL  MGY         6.00    (#   1935:20        Unique  3.62, 5.70 A)
 &rst
  ixpk= 1935, nxpk= 20, iat=1314,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#   42 PHE  HD           65 VAL  MGY         4.00    (#   1936:20        Unique  1.96, 6.75 A)
 &rst
  ixpk= 1936, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 680, 688,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#   67 GLY  HN           65 VAL  MGY         3.00    (#   1937:20        Unique  1.83, 3.80 A)
 &rst
  ixpk= 1937, nxpk= 20, iat=1109,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#   82 VAL  HA           65 VAL  MGY         5.00    (#   1939:20        Unique  3.28, 5.30 A)
 &rst
  ixpk= 1939, nxpk= 20, iat=1331,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#   10 ARG  HN            9 THR  MG2         4.20    (#   1940:20        Unique  2.45, 3.79 A)
 &rst
  ixpk= 1940, nxpk= 20, iat= 138,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 130, 131, 132,
 &end
#
#    9 THR  HN            9 THR  MG2         4.00    (#   1942:20        Unique  2.56, 3.45 A)
 &rst
  ixpk= 1942, nxpk= 20, iat= 124,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 130, 131, 132,
 &end
#
#  110 GLN  HE2-         97 LEU  MDX         7.00    (#   1943:20        Unique  5.73, 9.32 A)
 &rst
  ixpk= 1943, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1=1736,1737,
 igr2=1550,1551,1552,1554,1555,1556,
 &end
#
#   44 PHE  HE           97 LEU  MDX         4.00    (#   1944:20        Unique  3.20, 5.71 A)
 &rst
  ixpk= 1944, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 716, 720,
 igr2=1550,1551,1552,1554,1555,1556,
 &end
#
#  119 TRP  HE1         120 LEU  MDX         5.00    (#   1945:20        Unique  3.46, 5.94 A)
 &rst
  ixpk= 1945, nxpk= 20, iat=1881,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1904,1905,1906,1908,1909,1910,
 &end
#
#  121 ALA  HN          120 LEU  MDX         5.00    (#   1946:20        Unique  2.39, 4.72 A)
 &rst
  ixpk= 1946, nxpk= 20, iat=1914,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1904,1905,1906,1908,1909,1910,
 &end
#
#  119 TRP  HD1         120 LEU  MDX         4.10    (#   1947:20        Unique  3.91, 5.44 A)
 &rst
  ixpk= 1947, nxpk= 20, iat=1879,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr2=1904,1905,1906,1908,1909,1910,
 &end
#
#   48 TRP  HE1          95 ALA  MB          6.50    (#   1950:20        Unique  4.99, 5.57 A)
 &rst
  ixpk= 1950, nxpk= 20, iat= 782,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr2=1513,1514,1515,
 &end
#
#   96 LYS  HN           95 ALA  MB          5.00    (#   1951:20        Unique  1.82, 2.47 A)
 &rst
  ixpk= 1951, nxpk= 20, iat=1519,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1513,1514,1515,
 &end
#
#   94 THR  HA           95 ALA  MB          6.00    (#   1953:20        Unique  4.39, 5.02 A)
 &rst
  ixpk= 1953, nxpk= 20, iat=1497,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1513,1514,1515,
 &end
#
#   58 ILE  HN           57 THR  MG2         5.50    (#   1955:20        Unique  2.84, 4.11 A)
 &rst
  ixpk= 1955, nxpk= 20, iat= 958,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 950, 951, 952,
 &end
#
#  120 LEU  HN          120 LEU  MDX         4.00    (#   1956:20        Unique  3.70, 5.14 A)
 &rst
  ixpk= 1956, nxpk= 20, iat=1895,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1904,1905,1906,1908,1909,1910,
 &end
#
#   17 GLU  HN           16 THR  MG2         6.00    (#   1958:20        Unique  4.55, 5.19 A)
 &rst
  ixpk= 1958, nxpk= 20, iat= 266,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 258, 259, 260,
 &end
#
#   16 THR  HN           16 THR  MG2         3.00    (#   1959:20        Unique  2.06, 3.08 A)
 &rst
  ixpk= 1959, nxpk= 20, iat= 252,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 258, 259, 260,
 &end
#
#    0 AMB  20-2:1960    92 VAL  MGY         5.00    (#   1960:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1960, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1495,1314,
 igr2=1464,1465,1466,1468,1469,1470,
 &end
#
#   93 TYR  HN           92 VAL  MGY         6.00    (#   1961:20        Unique  2.31, 4.33 A)
 &rst
  ixpk= 1961, nxpk= 20, iat=1474,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1464,1465,1466,1468,1469,1470,
 &end
#
#   82 VAL  HN           92 VAL  MGY         3.00    (#   1962:20        Unique  2.94, 5.40 A)
 &rst
  ixpk= 1962, nxpk= 20, iat=1329,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1464,1465,1466,1468,1469,1470,
 &end
#
#   83 ALA  HA           92 VAL  MGY         4.00    (#   1963:20        Unique  2.27, 4.71 A)
 &rst
  ixpk= 1963, nxpk= 20, iat=1347,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1464,1465,1466,1468,1469,1470,
 &end
#
#    0 AMB  20-2:1964    92 VAL  MGY         6.00    (#   1964:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1964, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1316,1476,
 igr2=1464,1465,1466,1468,1469,1470,
 &end
#
#    0 AMB  20-2:1965   109 THR  MG2         4.00    (#   1965:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1965, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1674,1741,
 igr2=1716,1717,1718,
 &end
#
#  110 GLN  HN          109 THR  MG2         4.00    (#   1966:20        Unique  2.57, 3.68 A)
 &rst
  ixpk= 1966, nxpk= 20, iat=1724,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1716,1717,1718,
 &end
#
#    0 AMB  20-2:1967     4 VAL  MGY         5.50    (#   1967:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1967, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=  58,1871,1914,
 igr2=  48,  49,  50,  52,  53,  54,
 &end
#
#  122 ARG  HN            4 VAL  MGY         5.00    (#   1968:20        Unique  2.74, 4.67 A)
 &rst
  ixpk= 1968, nxpk= 20, iat=1924,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=  48,  49,  50,  52,  53,  54,
 &end
#
#    4 VAL  HN            4 VAL  MGY         4.00    (#   1969:20        Unique  1.94, 3.75 A)
 &rst
  ixpk= 1969, nxpk= 20, iat=  42,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=  48,  49,  50,  52,  53,  54,
 &end
#
#   21 ASP  HN           20 VAL  MGY         3.00    (#   1970:20        Unique  1.82, 3.82 A)
 &rst
  ixpk= 1970, nxpk= 20, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 325, 326, 327, 329, 330, 331,
 &end
#
#   17 GLU  HN           20 VAL  MGY         7.00    (#   1971:20        Unique  2.72, 5.44 A)
 &rst
  ixpk= 1971, nxpk= 20, iat= 266,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2= 325, 326, 327, 329, 330, 331,
 &end
#
#   20 VAL  HN           20 VAL  MGY         4.50    (#   1972:20        Unique  2.61, 4.20 A)
 &rst
  ixpk= 1972, nxpk= 20, iat= 319,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 325, 326, 327, 329, 330, 331,
 &end
#
#   44 PHE  HE          102 ALA  MB          3.00    (#   1973:20        Unique  2.39, 5.53 A)
 &rst
  ixpk= 1973, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 716, 720,
 igr2=1621,1622,1623,
 &end
#
#   46 GLY  HA-         102 ALA  MB          5.00    (#   1974:20        Unique  4.43, 5.38 A)
 &rst
  ixpk= 1974, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 745, 746,
 igr2=1621,1622,1623,
 &end
#
#   92 VAL  HN           92 VAL  MGX         3.00    (#   1975:20        Unique  2.20, 3.71 A)
 &rst
  ixpk= 1975, nxpk= 20, iat=1458,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1464,1465,1466,1468,1469,1470,
 &end
#
#  102 ALA  HN          102 ALA  MB          3.00    (#   1976:20        Unique  2.26, 2.98 A)
 &rst
  ixpk= 1976, nxpk= 20, iat=1617,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1621,1622,1623,
 &end
#
#    0 AMB  20-2:1977   102 ALA  MB          3.50    (#   1977:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1977, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1627,1646,
 igr2=1621,1622,1623,
 &end
#
#   44 PHE  HD          102 ALA  MB          4.00    (#   1978:20        Unique  2.66, 5.85 A)
 &rst
  ixpk= 1978, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 714, 722,
 igr2=1621,1622,1623,
 &end
#
#    0 AMB  20-2:1980    65 VAL  MGX         5.00    (#   1980:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1980, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1329,1059,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#   65 VAL  HN           65 VAL  MGX         3.00    (#   1982:20        Unique  1.92, 3.82 A)
 &rst
  ixpk= 1982, nxpk= 20, iat=1074,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#   46 GLY  HN           65 VAL  MGX         4.00    (#   1983:20        Unique  3.93, 6.26 A)
 &rst
  ixpk= 1983, nxpk= 20, iat= 743,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#   66 LEU  HN           65 VAL  MGX         5.00    (#   1984:20        Unique  2.23, 4.12 A)
 &rst
  ixpk= 1984, nxpk= 20, iat=1090,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#   44 PHE  HN           65 VAL  MGX         4.50    (#   1985:20        Unique  1.67, 3.95 A)
 &rst
  ixpk= 1985, nxpk= 20, iat= 706,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#    0 AMB  20-2:1986    65 VAL  MGX         4.00    (#   1986:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1986, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 680, 688, 714, 722,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#    0 AMB  20-2:1987    65 VAL  MGX         3.00    (#   1987:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1987, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 682, 686, 716, 720,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#   45 MET  HA           65 VAL  MGX         4.00    (#   1989:20        Unique  3.74, 5.69 A)
 &rst
  ixpk= 1989, nxpk= 20, iat= 728,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#   46 GLY  HA-          65 VAL  MGX         4.00    (#   1990:20        Unique  3.70, 6.96 A)
 &rst
  ixpk= 1990, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 745, 746,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#   28 ARG  HN           22 ALA  MB          3.00    (#   1992:20        Unique  3.32, 4.30 A)
 &rst
  ixpk= 1992, nxpk= 20, iat= 436,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 351, 352, 353,
 &end
#
#   31 GLY  HN           22 ALA  MB          4.00    (#   1993:20        Unique  3.05, 3.58 A)
 &rst
  ixpk= 1993, nxpk= 20, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 351, 352, 353,
 &end
#
#   22 ALA  HN           22 ALA  MB          3.00    (#   1994:20        Unique  2.07, 2.88 A)
 &rst
  ixpk= 1994, nxpk= 20, iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 351, 352, 353,
 &end
#
#   23 GLU  HN           22 ALA  MB          3.00    (#   1995:20        Unique  3.74, 4.19 A)
 &rst
  ixpk= 1995, nxpk= 20, iat= 357,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 351, 352, 353,
 &end
#
#    0 AMB  20-2:1996    20 VAL  MGX         5.00    (#   1996:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1996, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 347, 252,
 igr2= 325, 326, 327, 329, 330, 331,
 &end
#
#   21 ASP  HN           20 VAL  MGX         3.00    (#   1997:20        Unique  1.82, 3.82 A)
 &rst
  ixpk= 1997, nxpk= 20, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 325, 326, 327, 329, 330, 331,
 &end
#
#   20 VAL  HN           20 VAL  MGX         3.00    (#   1998:20        Unique  2.61, 4.20 A)
 &rst
  ixpk= 1998, nxpk= 20, iat= 319,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 325, 326, 327, 329, 330, 331,
 &end
#
#    4 VAL  HN            2 ALA  MB          4.00    (#   1999:20        Unique  2.68, 4.24 A)
 &rst
  ixpk= 1999, nxpk= 20, iat=  42,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=  25,  26,  27,
 &end
#
#    0 AMB  20-2:2000     2 ALA  MB          4.00    (#   2000:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2000, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=  31,  21,
 igr2=  25,  26,  27,
 &end
#
#    0 AMB  20-2:2001     4 VAL  MGX         5.00    (#   2001:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2001, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=  58,1871,1914,
 igr2=  48,  49,  50,  52,  53,  54,
 &end
#
#    4 VAL  HN            4 VAL  MGX         3.00    (#   2002:20        Unique  1.94, 3.75 A)
 &rst
  ixpk= 2002, nxpk= 20, iat=  42,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=  48,  49,  50,  52,  53,  54,
 &end
#
#  118 TYR  HE            4 VAL  MGX         4.00    (#   2003:20        Unique  3.81, 7.32 A)
 &rst
  ixpk= 2003, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1860,1865,
 igr2=  48,  49,  50,  52,  53,  54,
 &end
#
#   82 VAL  HA           82 VAL  MGX         4.00    (#   2005:20        Unique  2.16, 3.41 A)
 &rst
  ixpk= 2005, nxpk= 20, iat=1331,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#    0 AMB  20-2:2006    30 MET  ME          5.00    (#   2006:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2006, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1226, 539,
 igr2= 481, 482, 483,
 &end
#
#   33 TYR  HN           30 MET  ME          6.00    (#   2007:20        Unique  4.88, 5.96 A)
 &rst
  ixpk= 2007, nxpk= 20, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 481, 482, 483,
 &end
#
#   30 MET  HN           30 MET  ME          4.00    (#   2009:20        Unique  2.31, 3.27 A)
 &rst
  ixpk= 2009, nxpk= 20, iat= 470,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 481, 482, 483,
 &end
#
#    0 AMB  20-2:2010    30 MET  ME          5.00    (#   2010:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2010, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1196, 547, 556,
 igr2= 481, 482, 483,
 &end
#
#   75 LEU  HN           30 MET  ME          5.00    (#   2011:20        Unique  1.96, 5.06 A)
 &rst
  ixpk= 2011, nxpk= 20, iat=1207,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 481, 482, 483,
 &end
#
#    0 AMB  20-2:2012    30 MET  ME          5.00    (#   2012:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2012, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 549, 554, 528, 533,
 igr2= 481, 482, 483,
 &end
#
#    0 AMB  20-2:2013    82 VAL  MGX         3.00    (#   2013:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2013, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1329,1059,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#    0 AMB  20-2:2014    82 VAL  MGX         5.00    (#   2014:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2014, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1314,1495,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#   93 TYR  HD           82 VAL  MGX         7.00    (#   2015:20        Unique  1.97, 6.26 A)
 &rst
  ixpk= 2015, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1=1482,1491,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#   93 TYR  HN           82 VAL  MGX         6.00    (#   2017:20        Unique  2.29, 4.73 A)
 &rst
  ixpk= 2017, nxpk= 20, iat=1474,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#    0 AMB  20-2:2018    82 VAL  MGX         4.00    (#   2018:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2018, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1347,1497,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#    0 AMB  20-2:2019    82 VAL  MGX         6.50    (#   2019:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2019, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.84, r4=10.34,
 igr1=1316,1476,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#   19 ILE  HN           19 ILE  QG2         4.00    (#   2022:20        Unique  2.69, 3.95 A)
 &rst
  ixpk= 2022, nxpk= 20, iat= 300,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 306, 307, 308,
 &end
#
#    0 AMB  20-2:2023    19 ILE  QG2         5.00    (#   2023:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2023, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 347, 372,
 igr2= 306, 307, 308,
 &end
#
#   32 TRP  HN           19 ILE  QG2         4.00    (#   2024:20        Unique  1.93, 3.21 A)
 &rst
  ixpk= 2024, nxpk= 20, iat= 494,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 306, 307, 308,
 &end
#
#   18 ILE  HN           19 ILE  QG2         6.50    (#   2025:20        Unique  4.89, 6.23 A)
 &rst
  ixpk= 2025, nxpk= 20, iat= 281,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr2= 306, 307, 308,
 &end
#
#   20 VAL  HN           19 ILE  QG2         5.00    (#   2026:20        Unique  4.53, 5.02 A)
 &rst
  ixpk= 2026, nxpk= 20, iat= 319,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 306, 307, 308,
 &end
#
#   32 TRP  HE1          19 ILE  QG2         5.00    (#   2027:20        Unique  2.64, 4.14 A)
 &rst
  ixpk= 2027, nxpk= 20, iat= 504,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 306, 307, 308,
 &end
#
#  121 ALA  HN          121 ALA  MB          3.00    (#   2030:20        Unique  2.26, 2.89 A)
 &rst
  ixpk= 2030, nxpk= 20, iat=1914,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1918,1919,1920,
 &end
#
#  123 GLY  HN          121 ALA  MB          5.00    (#   2031:20        Unique  4.59, 5.17 A)
 &rst
  ixpk= 2031, nxpk= 20, iat=1948,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1918,1919,1920,
 &end
#
#   14 ILE  HN           14 ILE  QG2         4.00    (#   2033:20        Unique  3.14, 4.10 A)
 &rst
  ixpk= 2033, nxpk= 20, iat= 218,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 224, 225, 226,
 &end
#
#   15 GLU  HN           14 ILE  QG2         3.00    (#   2034:20        Unique  2.16, 3.46 A)
 &rst
  ixpk= 2034, nxpk= 20, iat= 237,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 224, 225, 226,
 &end
#
#   19 ILE  HN           14 ILE  QG2         4.00    (#   2035:20        Unique  3.91, 5.91 A)
 &rst
  ixpk= 2035, nxpk= 20, iat= 300,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 224, 225, 226,
 &end
#
#   18 ILE  HN           14 ILE  QG2         7.00    (#   2038:20        Unique  4.01, 5.44 A)
 &rst
  ixpk= 2038, nxpk= 20, iat= 281,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 224, 225, 226,
 &end
#
#   32 TRP  HE1          14 ILE  QG2         5.00    (#   2039:20        Unique  2.17, 4.33 A)
 &rst
  ixpk= 2039, nxpk= 20, iat= 504,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 224, 225, 226,
 &end
#
#   29 ALA  HN           29 ALA  MB          3.00    (#   2040:20        Unique  2.07, 2.88 A)
 &rst
  ixpk= 2040, nxpk= 20, iat= 460,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 464, 465, 466,
 &end
#
#   32 TRP  HN           29 ALA  MB          5.00    (#   2041:20        Unique  5.63, 6.05 A)
 &rst
  ixpk= 2041, nxpk= 20, iat= 494,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 464, 465, 466,
 &end
#
#    0 AMB  20-2:2043    29 ALA  MB          4.00    (#   2043:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2043, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 436, 406,
 igr2= 464, 465, 466,
 &end
#
#    0 AMB  20-2:2044   105 VAL  MGX         5.00    (#   2044:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2044, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1627,1646,
 igr2=1664,1665,1666,1668,1669,1670,
 &end
#
#  106 ASP  HN          105 VAL  MGX         4.00    (#   2045:20        Unique  2.61, 4.12 A)
 &rst
  ixpk= 2045, nxpk= 20, iat=1674,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1664,1665,1666,1668,1669,1670,
 &end
#
#  110 GLN  HN          105 VAL  MGX         4.00    (#   2046:20        Unique  2.60, 4.40 A)
 &rst
  ixpk= 2046, nxpk= 20, iat=1724,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1664,1665,1666,1668,1669,1670,
 &end
#
#  105 VAL  HN          105 VAL  MGX         3.00    (#   2047:20        Unique  2.34, 3.31 A)
 &rst
  ixpk= 2047, nxpk= 20, iat=1658,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1664,1665,1666,1668,1669,1670,
 &end
#
#  112 ALA  HN          112 ALA  MB          3.00    (#   2048:20        Unique  2.06, 2.88 A)
 &rst
  ixpk= 2048, nxpk= 20, iat=1756,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1760,1761,1762,
 &end
#
#   80 VAL  HN           80 VAL  MGX         3.00    (#   2052:20        Unique  2.42, 3.61 A)
 &rst
  ixpk= 2052, nxpk= 20, iat=1298,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1304,1305,1306,1308,1309,1310,
 &end
#
#   80 VAL  HA           80 VAL  MGX         4.00    (#   2053:20        Unique  2.03, 3.55 A)
 &rst
  ixpk= 2053, nxpk= 20, iat=1300,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1304,1305,1306,1308,1309,1310,
 &end
#
#   81 GLU  HN           80 VAL  MGX         5.00    (#   2054:20        Unique  2.89, 4.55 A)
 &rst
  ixpk= 2054, nxpk= 20, iat=1314,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1304,1305,1306,1308,1309,1310,
 &end
#
#  114 ALA  HN          114 ALA  MB          3.00    (#   2057:20        Unique  2.07, 2.88 A)
 &rst
  ixpk= 2057, nxpk= 20, iat=1785,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1789,1790,1791,
 &end
#
#  113 ILE  HN          114 ALA  MB          5.00    (#   2058:20        Unique  4.69, 5.65 A)
 &rst
  ixpk= 2058, nxpk= 20, iat=1766,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1789,1790,1791,
 &end
#
#   64 GLU  HN           85 ILE  QG2         5.20    (#   2059:20        Unique  2.47, 3.82 A)
 &rst
  ixpk= 2059, nxpk= 20, iat=1059,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr2=1373,1374,1375,
 &end
#
#   63 VAL  HA           85 ILE  QG2         5.00    (#   2060:20        Unique  2.89, 3.98 A)
 &rst
  ixpk= 2060, nxpk= 20, iat=1045,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1373,1374,1375,
 &end
#
#   81 GLU  HN           69 ALA  MB          5.00    (#   2061:20        Unique  3.59, 5.35 A)
 &rst
  ixpk= 2061, nxpk= 20, iat=1314,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1137,1138,1139,
 &end
#
#   69 ALA  HN           69 ALA  MB          3.00    (#   2062:20        Unique  2.08, 2.92 A)
 &rst
  ixpk= 2062, nxpk= 20, iat=1133,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1137,1138,1139,
 &end
#
#   79 TYR  HN           69 ALA  MB          5.00    (#   2063:20        Unique  3.24, 5.76 A)
 &rst
  ixpk= 2063, nxpk= 20, iat=1277,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1137,1138,1139,
 &end
#
#   80 VAL  HA           69 ALA  MB          4.00    (#   2065:20        Unique  3.07, 4.81 A)
 &rst
  ixpk= 2065, nxpk= 20, iat=1300,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1137,1138,1139,
 &end
#
#    0 AMB  20-2:2066    58 ILE  QG2         5.50    (#   2066:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2066, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 977, 862,
 igr2= 964, 965, 966,
 &end
#
#   50 LYS  HN           58 ILE  QG2         4.00    (#   2067:20        Unique  2.73, 4.17 A)
 &rst
  ixpk= 2067, nxpk= 20, iat= 818,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 964, 965, 966,
 &end
#
#    0 AMB  20-2:2069    63 VAL  MGX         4.00    (#   2069:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2069, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 772,1074,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#   63 VAL  HN           63 VAL  MGX         3.00    (#   2070:20        Unique  2.19, 3.56 A)
 &rst
  ixpk= 2070, nxpk= 20, iat=1043,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#    0 AMB  20-2:2071    63 VAL  MGX         3.00    (#   2071:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2071, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1345,1059,1355,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#   63 VAL  HA           63 VAL  MGX         3.00    (#   2072:20        Unique  1.97, 3.45 A)
 &rst
  ixpk= 2072, nxpk= 20, iat=1045,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#   93 TYR  HD           63 VAL  MGX         7.00    (#   2073:20        Unique  2.74, 6.63 A)
 &rst
  ixpk= 2073, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1=1482,1491,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#   82 VAL  HA           63 VAL  MGX         5.00    (#   2074:20        Unique  4.15, 5.97 A)
 &rst
  ixpk= 2074, nxpk= 20, iat=1331,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#   80 VAL  HN           69 ALA  MB          5.00    (#   2075:20        Unique  3.71, 5.70 A)
 &rst
  ixpk= 2075, nxpk= 20, iat=1298,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1137,1138,1139,
 &end
#
#   61 LYS  HN           58 ILE  QG2         6.00    (#   2076:20        Unique  5.42, 6.47 A)
 &rst
  ixpk= 2076, nxpk= 20, iat=1007,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 964, 965, 966,
 &end
#
#  117 LEU  HN          113 ILE  QG2         5.00    (#   2077:20        Unique  4.00, 5.01 A)
 &rst
  ixpk= 2077, nxpk= 20, iat=1831,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1772,1773,1774,
 &end
#
#  114 ALA  HN          113 ILE  QG2         4.00    (#   2078:20        Unique  2.66, 3.81 A)
 &rst
  ixpk= 2078, nxpk= 20, iat=1785,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1772,1773,1774,
 &end
#
#    0 AMB  20-2:2079   113 ILE  QG2         4.00    (#   2079:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2079, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1583,1766,
 igr2=1772,1773,1774,
 &end
#
#  104 ASP  HN          103 ILE  QG2         3.00    (#   2080:20        Unique  1.92, 3.49 A)
 &rst
  ixpk= 2080, nxpk= 20, iat=1646,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1633,1634,1635,
 &end
#
#    0 AMB  20-2:2082   103 ILE  QG2         5.50    (#   2082:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2082, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 745, 746, 752,
 igr2=1633,1634,1635,
 &end
#
#    0 AMB  20-2:2083   103 ILE  QG2         5.20    (#   2083:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2083, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr1= 750,1617,
 igr2=1633,1634,1635,
 &end
#
#  101 GLU  HN          100 ILE  QG2         3.00    (#   2084:20        Unique  2.41, 3.52 A)
 &rst
  ixpk= 2084, nxpk= 20, iat=1602,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1589,1590,1591,
 &end
#
#  100 ILE  HN          100 ILE  QG2         4.00    (#   2085:20        Unique  2.62, 3.79 A)
 &rst
  ixpk= 2085, nxpk= 20, iat=1583,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1589,1590,1591,
 &end
#
#   44 PHE  HE          100 ILE  QG2         4.00    (#   2087:20        Unique  3.08, 4.97 A)
 &rst
  ixpk= 2087, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 716, 720,
 igr2=1589,1590,1591,
 &end
#
#  100 ILE  HA          100 ILE  QG2         3.00    (#   2088:20        Unique  3.35, 3.78 A)
 &rst
  ixpk= 2088, nxpk= 20, iat=1585,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1589,1590,1591,
 &end
#
#    0 AMB  20-2:2094    68 MET  ME          5.00    (#   2094:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2094, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 581,1260, 539,
 igr2=1127,1128,1129,
 &end
#
#   37 ASP  HN           68 MET  ME          5.00    (#   2095:20        Unique  3.08, 5.15 A)
 &rst
  ixpk= 2095, nxpk= 20, iat= 600,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1127,1128,1129,
 &end
#
#   69 ALA  HN           68 MET  ME          4.00    (#   2096:20        Unique  2.98, 4.54 A)
 &rst
  ixpk= 2096, nxpk= 20, iat=1133,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1127,1128,1129,
 &end
#
#   79 TYR  HN           68 MET  ME          4.00    (#   2097:20        Unique  1.80, 3.14 A)
 &rst
  ixpk= 2097, nxpk= 20, iat=1277,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1127,1128,1129,
 &end
#
#   78 MET  HA           68 MET  ME          4.00    (#   2099:20        Unique  2.34, 3.79 A)
 &rst
  ixpk= 2099, nxpk= 20, iat=1262,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1127,1128,1129,
 &end
#
#   14 ILE  HN           14 ILE  QD1         4.00    (#   2101:20        Unique  3.66, 5.08 A)
 &rst
  ixpk= 2101, nxpk= 20, iat= 218,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 231, 232, 233,
 &end
#
#   32 TRP  HD1          14 ILE  QD1         7.00    (#   2104:20        Unique  6.17, 7.62 A)
 &rst
  ixpk= 2104, nxpk= 20, iat= 502,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 231, 232, 233,
 &end
#
#  102 ALA  HN          113 ILE  QD1         5.00    (#   2108:20        Unique  3.48, 4.73 A)
 &rst
  ixpk= 2108, nxpk= 20, iat=1617,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1779,1780,1781,
 &end
#
#  113 ILE  HN          113 ILE  QD1         4.00    (#   2109:20        Unique  2.49, 3.51 A)
 &rst
  ixpk= 2109, nxpk= 20, iat=1766,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1779,1780,1781,
 &end
#
#   32 TRP  HN           18 ILE  QG2         5.50    (#   2112:20        Unique  3.07, 3.92 A)
 &rst
  ixpk= 2112, nxpk= 20, iat= 494,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 287, 288, 289,
 &end
#
#   18 ILE  HN           18 ILE  QG2         6.00    (#   2113:20        Unique  4.15, 4.53 A)
 &rst
  ixpk= 2113, nxpk= 20, iat= 281,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 287, 288, 289,
 &end
#
#   19 ILE  HN           18 ILE  QG2         6.00    (#   2114:20        Unique  2.49, 3.81 A)
 &rst
  ixpk= 2114, nxpk= 20, iat= 300,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 287, 288, 289,
 &end
#
#   46 GLY  HN          103 ILE  QD1         4.00    (#   2115:20        Unique  3.53, 5.38 A)
 &rst
  ixpk= 2115, nxpk= 20, iat= 743,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1640,1641,1642,
 &end
#
#  103 ILE  HN          103 ILE  QD1         4.00    (#   2116:20        Unique  2.23, 3.59 A)
 &rst
  ixpk= 2116, nxpk= 20, iat=1627,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1640,1641,1642,
 &end
#
#   45 MET  HA          103 ILE  QD1         6.00    (#   2117:20        Unique  4.69, 6.89 A)
 &rst
  ixpk= 2117, nxpk= 20, iat= 728,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1640,1641,1642,
 &end
#
#    0 AMB  20-2:2118   103 ILE  QD1         4.00    (#   2118:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2118, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 745, 746, 752,
 igr2=1640,1641,1642,
 &end
#
#   47 LYS  HN          103 ILE  QD1         3.50    (#   2119:20        Unique  1.99, 2.70 A)
 &rst
  ixpk= 2119, nxpk= 20, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1640,1641,1642,
 &end
#
#   19 ILE  HN           18 ILE  QD1         6.00    (#   2120:20        Unique  4.32, 5.46 A)
 &rst
  ixpk= 2120, nxpk= 20, iat= 300,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 294, 295, 296,
 &end
#
#   18 ILE  HN           18 ILE  QD1         6.00    (#   2122:20        Unique  4.16, 4.81 A)
 &rst
  ixpk= 2122, nxpk= 20, iat= 281,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 294, 295, 296,
 &end
#
#   19 ILE  HN           19 ILE  QD1         3.70    (#   2123:20        Unique  1.89, 3.12 A)
 &rst
  ixpk= 2123, nxpk= 20, iat= 300,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2= 313, 314, 315,
 &end
#
#   32 TRP  HE1          19 ILE  QD1         3.50    (#   2126:20        Unique  1.93, 2.99 A)
 &rst
  ixpk= 2126, nxpk= 20, iat= 504,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 313, 314, 315,
 &end
#
#   59 GLU  HN           58 ILE  QD1         4.00    (#   2128:20        Unique  3.31, 4.76 A)
 &rst
  ixpk= 2128, nxpk= 20, iat= 977,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 971, 972, 973,
 &end
#
#  100 ILE  HN          100 ILE  QD1         5.00    (#   2129:20        Unique  4.14, 5.64 A)
 &rst
  ixpk= 2129, nxpk= 20, iat=1583,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1596,1597,1598,
 &end
#
#   48 TRP  HA          100 ILE  QD1         4.00    (#   2130:20        Unique  1.89, 3.83 A)
 &rst
  ixpk= 2130, nxpk= 20, iat= 774,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1596,1597,1598,
 &end
#
#  101 GLU  HN          100 ILE  QD1         5.00    (#   2131:20        Unique  2.18, 4.23 A)
 &rst
  ixpk= 2131, nxpk= 20, iat=1602,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1596,1597,1598,
 &end
#
#  100 ILE  HA          100 ILE  QD1         3.00    (#   2132:20        Unique  2.34, 3.97 A)
 &rst
  ixpk= 2132, nxpk= 20, iat=1585,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1596,1597,1598,
 &end
#
#  112 ALA  MB           39 THR  HB          4.00    (#   2133:20        Unique  3.06, 3.83 A)
 &rst
  ixpk= 2133, nxpk= 20, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1760,1761,1762,
 &end
#
#   83 ALA  MB           92 VAL  HA          4.00    (#   2134:20        Unique  3.10, 3.97 A)
 &rst
  ixpk= 2134, nxpk= 20, iat=  -1,1460, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1349,1350,1351,
 &end
#
#   92 VAL  HB           92 VAL  HA          3.00    (#   2135:20        Unique  2.23, 2.39 A)
 &rst
  ixpk= 2135, nxpk= 20, iat=1462,1460, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:2136    92 VAL  HA          3.00    (#   2136:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2136, nxpk= 20, iat=  -1,1460, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1464,1465,1466,1468,1469,1470,1464,1465,1466,1468,
      1469,1470,
 &end
#
#   93 TYR  HB-          92 VAL  HA          7.00    (#   2137:20        Unique  4.87, 5.26 A)
 &rst
  ixpk= 2137, nxpk= 20, iat=  -1,1460, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1478,1479,
 &end
#
#   83 ALA  HA           92 VAL  HA          2.80    (#   2138:20        Unique  1.87, 1.99 A)
 &rst
  ixpk= 2138, nxpk= 20, iat=1347,1460, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   92 VAL  HN           92 VAL  HA          3.50    (#   2139:20        Unique  2.93, 2.94 A)
 &rst
  ixpk= 2139, nxpk= 20, iat=1458,1460, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   93 TYR  HN           92 VAL  HA          4.80    (#   2140:20        Unique  2.16, 2.18 A)
 &rst
  ixpk= 2140, nxpk= 20, iat=1474,1460, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#    0 AMB  20-2:2141    92 VAL  HA          5.00    (#   2141:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2141, nxpk= 20, iat=  -1,1460, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1329,1059,
 &end
#
#   90 ASP  HB+          90 ASP  HA          3.00    (#   2143:20        Unique  2.47, 2.77 A)
 &rst
  ixpk= 2143, nxpk= 20, iat=  -1,1436, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1438,1439,
 &end
#
#   91 ASP  HN           90 ASP  HA          3.80    (#   2145:20        Unique  3.31, 3.38 A)
 &rst
  ixpk= 2145, nxpk= 20, iat=1446,1436, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#   90 ASP  HN           90 ASP  HA          3.00    (#   2146:20        Unique  2.83, 2.88 A)
 &rst
  ixpk= 2146, nxpk= 20, iat=1434,1436, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   93 TYR  HN           83 ALA  HA          5.00    (#   2147:20        Unique  2.88, 3.25 A)
 &rst
  ixpk= 2147, nxpk= 20, iat=1474,1347, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:2148    83 ALA  HA          2.80    (#   2148:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2148, nxpk= 20, iat=  -1,1347, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1355,1345,
 &end
#
#   70 PRO  HB+          70 PRO  HD+         4.50    (#   2149:20        Unique  2.98, 3.70 A)
 &rst
  ixpk= 2149, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1150,1151,
 igr2=1144,1145,
 &end
#
#    0 AMB  20-2:2150   100 ILE  QD1         5.00    (#   2150:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2150, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 796,1007,
 igr2=1596,1597,1598,
 &end
#
#  100 ILE  HB          100 ILE  QD1         4.00    (#   2152:20        Unique  2.06, 3.20 A)
 &rst
  ixpk= 2152, nxpk= 20, iat=1587,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1596,1597,1598,
 &end
#
#   35 TYR  HN           18 ILE  QG2         7.00    (#   2153:20        Unique  4.30, 5.28 A)
 &rst
  ixpk= 2153, nxpk= 20, iat= 560,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 287, 288, 289,
 &end
#
#   32 TRP  HZ2          18 ILE  QG2         7.00    (#   2154:20        Unique  4.09, 5.40 A)
 &rst
  ixpk= 2154, nxpk= 20, iat= 507,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 287, 288, 289,
 &end
#
#   79 TYR  HN           78 MET  HA          2.80    (#   2155:20        Unique  2.14, 2.18 A)
 &rst
  ixpk= 2155, nxpk= 20, iat=1277,1262, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  20-2:2156    78 MET  HA          4.00    (#   2156:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2156, nxpk= 20, iat=  -1,1262, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1200,1201,1281,1282,
 &end
#
#   78 MET  ME           78 MET  HA          3.50    (#   2157:20        Unique  1.89, 2.93 A)
 &rst
  ixpk= 2157, nxpk= 20, iat=  -1,1262, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1271,1272,1273,
 &end
#
#   78 MET  HB-          78 MET  HA          3.50    (#   2158:20        Unique  2.23, 2.71 A)
 &rst
  ixpk= 2158, nxpk= 20, iat=  -1,1262, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1264,1265,
 &end
#
#    8 GLU  HN            7 ASP  HA          3.50    (#   2159:20        Unique  2.44, 2.81 A)
 &rst
  ixpk= 2159, nxpk= 20, iat= 109,  99, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:2161     7 ASP  HA          3.00    (#   2161:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2161, nxpk= 20, iat=  -1,  99, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 101, 102, 101, 102, 116, 117,
 &end
#
#   61 LYS  HN           60 GLU  HA          2.80    (#   2163:20        Unique  2.14, 2.17 A)
 &rst
  ixpk= 2163, nxpk= 20, iat=1007, 994, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   50 LYS  HN           60 GLU  HA          3.80    (#   2164:20        Unique  2.82, 3.12 A)
 &rst
  ixpk= 2164, nxpk= 20, iat= 818, 994, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#   60 GLU  HN           60 GLU  HA          3.50    (#   2165:20        Unique  2.84, 2.86 A)
 &rst
  ixpk= 2165, nxpk= 20, iat= 992, 994, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   60 GLU  HB+          60 GLU  HA          3.00    (#   2166:20        Unique  2.43, 2.77 A)
 &rst
  ixpk= 2166, nxpk= 20, iat=  -1, 994, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 996, 997,
 &end
#
#    0 AMB  20-2:2167     0 AMB  20-1:2167   5.00    (#   2167:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2167, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=2002,2003,1478,1479,
 igr2=1228,1476,
 &end
#
#   93 TYR  HB-          93 TYR  HA          5.00    (#   2168:20        Unique  2.23, 2.63 A)
 &rst
  ixpk= 2168, nxpk= 20, iat=  -1,1476, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1478,1479,
 &end
#
#   76 LYS  HB+          76 LYS  HA          3.00    (#   2169:20        Unique  2.27, 2.61 A)
 &rst
  ixpk= 2169, nxpk= 20, iat=  -1,1228, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1230,1231,
 &end
#
#   76 LYS  HB-          76 LYS  HA          3.00    (#   2170:20        Unique  2.27, 2.61 A)
 &rst
  ixpk= 2170, nxpk= 20, iat=  -1,1228, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1230,1231,
 &end
#
#   76 LYS  HG+          76 LYS  HA          3.00    (#   2171:20        Unique  2.59, 3.32 A)
 &rst
  ixpk= 2171, nxpk= 20, iat=  -1,1228, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1233,1234,
 &end
#
#   93 TYR  HD           93 TYR  HA          5.50    (#   2172:20        Unique  2.30, 3.72 A)
 &rst
  ixpk= 2172, nxpk= 20, iat=  -1,1476, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1482,1491,
 &end
#
#   93 TYR  HN           93 TYR  HA          4.50    (#   2174:20        Unique  2.94, 2.95 A)
 &rst
  ixpk= 2174, nxpk= 20, iat=1474,1476, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   76 LYS  HN           76 LYS  HA          3.50    (#   2175:20        Unique  2.80, 2.88 A)
 &rst
  ixpk= 2175, nxpk= 20, iat=1226,1228, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   94 THR  HN           93 TYR  HA          4.50    (#   2176:20        Unique  2.21, 2.45 A)
 &rst
  ixpk= 2176, nxpk= 20, iat=1495,1476, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   84 ASP  HB-          84 ASP  HA          3.00    (#   2177:20        Unique  2.24, 2.64 A)
 &rst
  ixpk= 2177, nxpk= 20, iat=  -1,1357, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1359,1360,
 &end
#
#   85 ILE  HN           84 ASP  HA          2.80    (#   2178:20        Unique  2.18, 2.20 A)
 &rst
  ixpk= 2178, nxpk= 20, iat=1367,1357, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   64 GLU  HN           84 ASP  HA          4.00    (#   2179:20        Unique  4.17, 4.43 A)
 &rst
  ixpk= 2179, nxpk= 20, iat=1059,1357, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:2180    57 THR  HB          5.00    (#   2180:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2180, nxpk= 20, iat=  -1, 948, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 946, 923,
 &end
#
#   81 GLU  HN           80 VAL  HA          2.80    (#   2181:20        Unique  2.19, 2.27 A)
 &rst
  ixpk= 2181, nxpk= 20, iat=1314,1300, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   69 ALA  HN           80 VAL  HA          3.00    (#   2182:20        Unique  1.89, 2.72 A)
 &rst
  ixpk= 2182, nxpk= 20, iat=1133,1300, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   80 VAL  MGY          80 VAL  HA          3.00    (#   2183:20        Unique  2.03, 3.55 A)
 &rst
  ixpk= 2183, nxpk= 20, iat=  -1,1300, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1304,1305,1306,1308,1309,1310,
 &end
#
#   80 VAL  HB           80 VAL  HA          3.00    (#   2184:20        Unique  2.26, 2.35 A)
 &rst
  ixpk= 2184, nxpk= 20, iat=1302,1300, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   42 PHE  HN           43 PRO  HA          5.00    (#   2186:20        Unique  4.51, 4.64 A)
 &rst
  ixpk= 2186, nxpk= 20, iat= 672, 702, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   94 THR  HN           94 THR  HA          3.50    (#   2187:20        Unique  2.93, 2.95 A)
 &rst
  ixpk= 2187, nxpk= 20, iat=1495,1497, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   82 VAL  HN           94 THR  HA          3.80    (#   2188:20        Unique  2.97, 3.20 A)
 &rst
  ixpk= 2188, nxpk= 20, iat=1329,1497, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#   95 ALA  HN           94 THR  HA          4.00    (#   2189:20        Unique  2.14, 2.15 A)
 &rst
  ixpk= 2189, nxpk= 20, iat=1509,1497, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   81 GLU  HA           94 THR  HA          3.00    (#   2191:20        Unique  2.15, 2.52 A)
 &rst
  ixpk= 2191, nxpk= 20, iat=1316,1497, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   19 ILE  HG1-         19 ILE  QD1         3.00    (#   2192:20        Unique  2.21, 2.62 A)
 &rst
  ixpk= 2192, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 310, 311,
 igr2= 313, 314, 315,
 &end
#
#   43 PRO  HB-          43 PRO  HD+         4.00    (#   2193:20        Unique  2.98, 3.70 A)
 &rst
  ixpk= 2193, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 699, 700,
 igr2= 693, 694,
 &end
#
#   43 PRO  HA           43 PRO  HD-         4.50    (#   2194:20        Unique  3.60, 3.85 A)
 &rst
  ixpk= 2194, nxpk= 20, iat= 702,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 693, 694,
 &end
#
#   25 LYS  HN           24 ASP  HA          3.00    (#   2195:20        Unique  2.30, 2.36 A)
 &rst
  ixpk= 2195, nxpk= 20, iat= 384, 374, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   24 ASP  HN           24 ASP  HA          3.00    (#   2196:20        Unique  2.89, 2.89 A)
 &rst
  ixpk= 2196, nxpk= 20, iat= 372, 374, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   24 ASP  HB+          24 ASP  HA          3.00    (#   2197:20        Unique  2.36, 2.83 A)
 &rst
  ixpk= 2197, nxpk= 20, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 376, 377,
 &end
#
#   24 ASP  HB-          24 ASP  HA          3.00    (#   2198:20        Unique  2.36, 2.83 A)
 &rst
  ixpk= 2198, nxpk= 20, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 376, 377,
 &end
#
#    0 AMB  20-2:2199    24 ASP  HA          5.00    (#   2199:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2199, nxpk= 20, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 361, 362, 425, 426,
 &end
#
#    0 AMB  20-2:2200    24 ASP  HA          5.00    (#   2200:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2200, nxpk= 20, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 361, 362, 388, 389,
 &end
#
#  115 ASP  HN          112 ALA  HA          4.00    (#   2204:20        Unique  3.54, 3.89 A)
 &rst
  ixpk= 2204, nxpk= 20, iat=1795,1758, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  112 ALA  MB          112 ALA  HA          3.00    (#   2205:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 2205, nxpk= 20, iat=  -1,1758, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1760,1761,1762,
 &end
#
#    0 AMB  20-2:2206     0 AMB  20-1:2206   5.00    (#   2206:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2206, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 590, 591, 592, 594, 595, 596, 630, 631, 632,1373,
      1374,1375,
 igr2=1758,1424,
 &end
#
#    0 AMB  20-2:2207     0 AMB  20-1:2207   6.00    (#   2207:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2207, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.46, r4=10.96,
 igr1=1776,1777,1464,1465,1466,1468,1469,1470,1464,1465,
      1466,1468,1469,1470,
 igr2=1758,1424,
 &end
#
#  124 TYR  HB+         124 TYR  HA          3.00    (#   2208:20        Unique  2.27, 2.50 A)
 &rst
  ixpk= 2208, nxpk= 20, iat=  -1,1957, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1959,1960,
 &end
#
#    0 AMB  20-2:2209     2 ALA  MB          4.00    (#   2209:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2209, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=  33,   6,
 igr2=  25,  26,  27,
 &end
#
#    3 SER  HA            3 SER  HB-         3.00    (#   2210:20        Unique  2.32, 2.62 A)
 &rst
  ixpk= 2210, nxpk= 20, iat=  33,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=  35,  36,
 &end
#
#    0 AMB  20-2:2211     0 AMB  20-1:2211   7.00    (#   2211:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2211, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.11, r4=11.61,
 igr1= 981, 982, 844, 845,
 igr2= 866, 867, 866, 867,
 &end
#
#    4 VAL  HB            4 VAL  HA          3.00    (#   2212:20        Unique  2.44, 2.87 A)
 &rst
  ixpk= 2212, nxpk= 20, iat=  46,  44, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   25 LYS  HB+          25 LYS  HA          3.00    (#   2213:20        Unique  2.36, 2.45 A)
 &rst
  ixpk= 2213, nxpk= 20, iat=  -1, 386, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 388, 389,
 &end
#
#    0 AMB  20-2:2215    20 VAL  MGX         5.00    (#   2215:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2215, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 268, 337,
 igr2= 325, 326, 327, 329, 330, 331,
 &end
#
#   93 TYR  HN           92 VAL  MGX         6.00    (#   2220:20        Unique  2.31, 4.33 A)
 &rst
  ixpk= 2220, nxpk= 20, iat=1474,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1464,1465,1466,1468,1469,1470,
 &end
#
#   82 VAL  HN           92 VAL  MGX         5.00    (#   2221:20        Unique  2.94, 5.40 A)
 &rst
  ixpk= 2221, nxpk= 20, iat=1329,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1464,1465,1466,1468,1469,1470,
 &end
#
#    0 AMB  20-2:2222    20 VAL  MGY         5.00    (#   2222:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2222, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 268, 337,
 igr2= 325, 326, 327, 329, 330, 331,
 &end
#
#    0 AMB  20-2:2223    20 VAL  MGY         5.00    (#   2223:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2223, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 347, 252,
 igr2= 325, 326, 327, 329, 330, 331,
 &end
#
#   84 ASP  HA           63 VAL  MGY         4.50    (#   2224:20        Unique  1.75, 4.20 A)
 &rst
  ixpk= 2224, nxpk= 20, iat=1357,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#    0 AMB  20-2:2226   105 VAL  MGX         5.00    (#   2226:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2226, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1629,1688,
 igr2=1664,1665,1666,1668,1669,1670,
 &end
#
#    0 AMB  20-2:2228    80 VAL  MGX         5.00    (#   2228:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2228, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1094,1095,1593,1594,
 igr2=1304,1305,1306,1308,1309,1310,
 &end
#
#   82 VAL  HB           80 VAL  MGX         5.00    (#   2229:20        Unique  3.07, 6.04 A)
 &rst
  ixpk= 2229, nxpk= 20, iat=1333,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1304,1305,1306,1308,1309,1310,
 &end
#
#   79 TYR  HA           80 VAL  MGX         4.00    (#   2230:20        Unique  3.08, 4.69 A)
 &rst
  ixpk= 2230, nxpk= 20, iat=1279,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1304,1305,1306,1308,1309,1310,
 &end
#
#   95 ALA  HN           80 VAL  MGX         6.00    (#   2231:20        Unique  2.71, 4.84 A)
 &rst
  ixpk= 2231, nxpk= 20, iat=1509,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1304,1305,1306,1308,1309,1310,
 &end
#
#   66 LEU  HN           82 VAL  MGX         6.00    (#   2232:20        Unique  2.77, 5.50 A)
 &rst
  ixpk= 2232, nxpk= 20, iat=1090,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#    0 AMB  20-2:2233   105 VAL  MGY         4.00    (#   2233:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2233, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1627,1646,
 igr2=1664,1665,1666,1668,1669,1670,
 &end
#
#    0 AMB  20-2:2234    22 ALA  MB          3.00    (#   2234:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2234, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 425, 426, 425, 426,
 igr2= 351, 352, 353,
 &end
#
#  102 ALA  HA          102 ALA  MB          3.00    (#   2235:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 2235, nxpk= 20, iat=1619,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1621,1622,1623,
 &end
#
#   32 TRP  HB+          29 ALA  HA          3.00    (#   2236:20        Unique  2.57, 3.43 A)
 &rst
  ixpk= 2236, nxpk= 20, iat=  -1, 462, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 498, 499,
 &end
#
#   92 VAL  HA           83 ALA  HA          2.80    (#   2237:20        Unique  1.87, 1.99 A)
 &rst
  ixpk= 2237, nxpk= 20, iat=1460,1347, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   95 ALA  HN           95 ALA  MB          5.50    (#   2238:20        Unique  3.14, 3.69 A)
 &rst
  ixpk= 2238, nxpk= 20, iat=1509,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1513,1514,1515,
 &end
#
#  112 ALA  HA          112 ALA  MB          3.00    (#   2240:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 2240, nxpk= 20, iat=1758,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1760,1761,1762,
 &end
#
#  114 ALA  HN          114 ALA  HA          3.50    (#   2241:20        Unique  2.74, 2.77 A)
 &rst
  ixpk= 2241, nxpk= 20, iat=1785,1787, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   85 ILE  HN           85 ILE  QG2         4.00    (#   2242:20        Unique  2.69, 3.41 A)
 &rst
  ixpk= 2242, nxpk= 20, iat=1367,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1373,1374,1375,
 &end
#
#    0 AMB  20-2:2243    85 ILE  QG2         4.00    (#   2243:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2243, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1388,1389,1092,
 igr2=1373,1374,1375,
 &end
#
#    0 AMB  20-2:2244    85 ILE  QD1         4.00    (#   2244:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2244, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr1= 737, 738, 739, 730, 731,
 igr2=1380,1381,1382,
 &end
#
#   36 LEU  HN           36 LEU  HA          3.50    (#   2245:20        Unique  2.79, 2.82 A)
 &rst
  ixpk= 2245, nxpk= 20, iat= 581, 583, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   75 LEU  MDX          75 LEU  HB-         4.00    (#   2246:20        Unique  2.25, 3.28 A)
 &rst
  ixpk= 2246, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1216,1217,1218,1220,1221,1222,
 igr2=1211,1212,
 &end
#
#  117 LEU  HA          120 LEU  HB+         4.00    (#   2247:20        Unique  2.22, 3.68 A)
 &rst
  ixpk= 2247, nxpk= 20, iat=1833,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1899,1900,
 &end
#
#    0 AMB  20-2:2248    40 LEU  HG          4.70    (#   2248:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2248, nxpk= 20, iat=  -1, 645, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 657,1766,
 &end
#
#   33 TYR  HN           78 MET  ME          4.00    (#   2249:20        Unique  1.86, 3.27 A)
 &rst
  ixpk= 2249, nxpk= 20, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1271,1272,1273,
 &end
#
#   27 GLU  HA           30 MET  HB+         4.00    (#   2250:20        Unique  2.20, 3.27 A)
 &rst
  ixpk= 2250, nxpk= 20, iat= 423,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 474, 475,
 &end
#
#   27 GLU  HA           30 MET  HB-         4.70    (#   2251:20        Unique  2.20, 3.27 A)
 &rst
  ixpk= 2251, nxpk= 20, iat= 423,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 474, 475,
 &end
#
#   10 ARG  HN            9 THR  HA          4.00    (#   2253:20        Unique  3.24, 3.30 A)
 &rst
  ixpk= 2253, nxpk= 20, iat= 138, 126, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   15 GLU  HB-          14 ILE  HA          6.00    (#   2254:20        Unique  5.57, 5.85 A)
 &rst
  ixpk= 2254, nxpk= 20, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 241, 242,
 &end
#
#    0 AMB  20-2:2255    14 ILE  HA          4.50    (#   2255:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2255, nxpk= 20, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 222, 273, 274,
 &end
#
#   14 ILE  HN           14 ILE  HA          3.50    (#   2256:20        Unique  2.69, 2.70 A)
 &rst
  ixpk= 2256, nxpk= 20, iat= 218, 220, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   14 ILE  HN           14 ILE  HG1-        4.50    (#   2257:20        Unique  2.61, 3.78 A)
 &rst
  ixpk= 2257, nxpk= 20, iat= 218,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 228, 229,
 &end
#
#    0 AMB  20-2:2258    27 GLU  HA          4.00    (#   2258:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2258, nxpk= 20, iat=  -1, 423, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 436, 406,
 &end
#
#   18 ILE  HN           18 ILE  HA          5.00    (#   2259:20        Unique  2.92, 2.93 A)
 &rst
  ixpk= 2259, nxpk= 20, iat= 281, 283, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   19 ILE  HN           18 ILE  HA          5.00    (#   2260:20        Unique  3.42, 3.53 A)
 &rst
  ixpk= 2260, nxpk= 20, iat= 300, 283, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 GLU  HN           18 ILE  HA          6.00    (#   2261:20        Unique  4.44, 4.50 A)
 &rst
  ixpk= 2261, nxpk= 20, iat= 266, 283, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   18 ILE  HG1-         18 ILE  HA          5.50    (#   2262:20        Unique  2.37, 2.75 A)
 &rst
  ixpk= 2262, nxpk= 20, iat=  -1, 283, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 291, 292,
 &end
#
#   18 ILE  QD1          18 ILE  HA          6.00    (#   2263:20        Unique  2.32, 4.42 A)
 &rst
  ixpk= 2263, nxpk= 20, iat=  -1, 283, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 294, 295, 296,
 &end
#
#   18 ILE  HA           18 ILE  HG1+        5.50    (#   2264:20        Unique  2.37, 2.75 A)
 &rst
  ixpk= 2264, nxpk= 20, iat= 283,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 291, 292,
 &end
#
#   18 ILE  QG2          19 ILE  HA          6.00    (#   2266:20        Unique  3.22, 4.42 A)
 &rst
  ixpk= 2266, nxpk= 20, iat=  -1, 302, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 287, 288, 289,
 &end
#
#   21 ASP  HN           21 ASP  HB-         3.50    (#   2267:20        Unique  2.35, 2.76 A)
 &rst
  ixpk= 2267, nxpk= 20, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 339, 340,
 &end
#
#   25 LYS  HN           25 LYS  HB+         3.80    (#   2268:20        Unique  2.46, 3.09 A)
 &rst
  ixpk= 2268, nxpk= 20, iat= 384,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2= 388, 389,
 &end
#
#   96 LYS  HG+          96 LYS  HE+         3.80    (#   2269:20        Unique  2.14, 3.37 A)
 &rst
  ixpk= 2269, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1=1526,1527,
 igr2=1532,1533,
 &end
#
#    0 AMB  20-2:2270     0 AMB  20-1:2270   3.00    (#   2270:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2270, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1529,1530,1523,1524,
 igr2=1532,1533,1532,1533,
 &end
#
#   27 GLU  HN           26 GLU  HA          4.00    (#   2271:20        Unique  3.57, 3.57 A)
 &rst
  ixpk= 2271, nxpk= 20, iat= 421, 408, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   40 LEU  HN           39 THR  HB          3.00    (#   2274:20        Unique  2.05, 2.51 A)
 &rst
  ixpk= 2274, nxpk= 20, iat= 638, 628, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   39 THR  HN           39 THR  HB          3.00    (#   2275:20        Unique  2.30, 2.38 A)
 &rst
  ixpk= 2275, nxpk= 20, iat= 624, 628, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   42 PHE  HA           43 PRO  HA          2.80    (#   2276:20        Unique  1.96, 2.05 A)
 &rst
  ixpk= 2276, nxpk= 20, iat= 674, 702, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  20-2:2279    47 LYS  HB-         5.00    (#   2279:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2279, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 809, 810, 763, 764,
 igr2= 754, 755,
 &end
#
#    0 AMB  20-2:2280    52 SER  HA          5.00    (#   2280:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2280, nxpk= 20, iat=  -1, 864, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 862, 977,
 &end
#
#   63 VAL  HN           62 THR  HA          2.80    (#   2281:20        Unique  2.14, 2.15 A)
 &rst
  ixpk= 2281, nxpk= 20, iat=1043,1031, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   48 TRP  HN           62 THR  HA          4.00    (#   2282:20        Unique  3.43, 3.56 A)
 &rst
  ixpk= 2282, nxpk= 20, iat= 772,1031, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   47 LYS  HA           62 THR  HA          3.00    (#   2283:20        Unique  2.68, 2.82 A)
 &rst
  ixpk= 2283, nxpk= 20, iat= 752,1031, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   62 THR  MG2          62 THR  HA          3.00    (#   2284:20        Unique  2.34, 2.97 A)
 &rst
  ixpk= 2284, nxpk= 20, iat=  -1,1031, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1035,1036,1037,
 &end
#
#   73 GLU  HN           73 GLU  HG+         4.00    (#   2285:20        Unique  2.68, 4.13 A)
 &rst
  ixpk= 2285, nxpk= 20, iat=1181,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1188,1189,
 &end
#
#   94 THR  HN           81 GLU  HA          5.00    (#   2286:20        Unique  4.40, 4.81 A)
 &rst
  ixpk= 2286, nxpk= 20, iat=1495,1316, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   82 VAL  HN           81 GLU  HA          2.80    (#   2287:20        Unique  2.14, 2.16 A)
 &rst
  ixpk= 2287, nxpk= 20, iat=1329,1316, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   89 ASP  HN           84 ASP  HB-         4.00    (#   2288:20        Unique  2.17, 3.33 A)
 &rst
  ixpk= 2288, nxpk= 20, iat=1422,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1359,1360,
 &end
#
#    0 AMB  20-2:2289     0 AMB  20-1:2289   3.00    (#   2289:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2289, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1674,1698,
 igr2=1678,1679,1678,1679,
 &end
#
#    0 AMB  20-2:2290   106 ASP  HB-         3.50    (#   2290:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2290, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1674,1698,
 igr2=1678,1679,
 &end
#
#   89 ASP  HB-          89 ASP  HA          3.50    (#   2291:20        Unique  2.34, 2.76 A)
 &rst
  ixpk= 2291, nxpk= 20, iat=  -1,1424, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1426,1427,
 &end
#
#   21 ASP  HB-          21 ASP  HA          3.00    (#   2292:20        Unique  2.38, 2.75 A)
 &rst
  ixpk= 2292, nxpk= 20, iat=  -1, 337, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 339, 340,
 &end
#
#   21 ASP  HB+          21 ASP  HA          3.00    (#   2293:20        Unique  2.38, 2.75 A)
 &rst
  ixpk= 2293, nxpk= 20, iat=  -1, 337, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 339, 340,
 &end
#
#   92 VAL  HN           91 ASP  HB-         4.00    (#   2294:20        Unique  2.82, 3.61 A)
 &rst
  ixpk= 2294, nxpk= 20, iat=1458,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1450,1451,
 &end
#
#    0 AMB  20-2:2295    94 THR  HB          6.00    (#   2295:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2295, nxpk= 20, iat=  -1,1499, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1316,1476,
 &end
#
#   95 ALA  HN           94 THR  HB          6.00    (#   2296:20        Unique  3.92, 4.03 A)
 &rst
  ixpk= 2296, nxpk= 20, iat=1509,1499, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   95 ALA  HN           94 THR  MG2         6.00    (#   2297:20        Unique  3.06, 4.00 A)
 &rst
  ixpk= 2297, nxpk= 20, iat=1509,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1501,1502,1503,
 &end
#
#  101 GLU  HN          101 GLU  HG+         4.80    (#   2300:20        Unique  4.19, 4.62 A)
 &rst
  ixpk= 2300, nxpk= 20, iat=1602,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1609,1610,
 &end
#
#  120 LEU  HN          119 TRP  HB+         4.50    (#   2301:20        Unique  3.05, 3.85 A)
 &rst
  ixpk= 2301, nxpk= 20, iat=1895,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1875,1876,
 &end
#
#  120 LEU  HN          119 TRP  HB-         4.50    (#   2302:20        Unique  3.05, 3.85 A)
 &rst
  ixpk= 2302, nxpk= 20, iat=1895,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1875,1876,
 &end
#
#   66 LEU  MDX          43 PRO  HA          6.00    (#   2303:20        Unique  4.39, 6.69 A)
 &rst
  ixpk= 2303, nxpk= 20, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1099,1100,1101,1103,1104,1105,
 &end
#
#  102 ALA  HA           46 GLY  HA-         4.00    (#   2304:20        Unique  2.17, 2.94 A)
 &rst
  ixpk= 2304, nxpk= 20, iat=1619,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 745, 746,
 &end
#
#  107 ASP  HB-         107 ASP  HA          3.00    (#   2305:20        Unique  2.41, 2.78 A)
 &rst
  ixpk= 2305, nxpk= 20, iat=  -1,1688, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1690,1691,
 &end
#
#  107 ASP  HB-         106 ASP  HA          5.00    (#   2306:20        Unique  4.55, 5.49 A)
 &rst
  ixpk= 2306, nxpk= 20, iat=  -1,1676, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1690,1691,
 &end
#
#   62 THR  HB           62 THR  MG2         3.00    (#   2307:20        Unique  2.24, 2.64 A)
 &rst
  ixpk= 2307, nxpk= 20, iat=1033,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1035,1036,1037,
 &end
#
#   30 MET  HA           78 MET  ME          6.00    (#   2309:20        Unique  4.71, 5.81 A)
 &rst
  ixpk= 2309, nxpk= 20, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1271,1272,1273,
 &end
#
#    0 AMB  20-2:2310   109 THR  HA          5.50    (#   2310:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2310, nxpk= 20, iat=  -1,1712, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1662, 661, 662,1728,1729,
 &end
#
#   40 LEU  HG          109 THR  HA          4.00    (#   2311:20        Unique  2.77, 3.34 A)
 &rst
  ixpk= 2311, nxpk= 20, iat= 645,1712, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   38 ASP  HA           38 ASP  HB-         3.00    (#   2312:20        Unique  2.38, 2.75 A)
 &rst
  ixpk= 2312, nxpk= 20, iat= 614,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 616, 617,
 &end
#
#   42 PHE  HD           40 LEU  HB+         5.00    (#   2313:20        Unique  2.73, 5.05 A)
 &rst
  ixpk= 2313, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 680, 688,
 igr2= 642, 643,
 &end
#
#    0 AMB  20-2:2314    40 LEU  HB-         4.00    (#   2314:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2314, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 672, 657,
 igr2= 642, 643,
 &end
#
#   42 PHE  HD           40 LEU  HB-         5.00    (#   2315:20        Unique  2.73, 5.05 A)
 &rst
  ixpk= 2315, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 680, 688,
 igr2= 642, 643,
 &end
#
#  118 TYR  HA          118 TYR  HB+         3.00    (#   2316:20        Unique  2.33, 2.68 A)
 &rst
  ixpk= 2316, nxpk= 20, iat=1852,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1854,1855,
 &end
#
#  118 TYR  HA          118 TYR  HB-         3.50    (#   2319:20        Unique  2.33, 2.68 A)
 &rst
  ixpk= 2319, nxpk= 20, iat=1852,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1854,1855,
 &end
#
#  108 ASP  HA          108 ASP  HB+         3.50    (#   2320:20        Unique  2.32, 2.81 A)
 &rst
  ixpk= 2320, nxpk= 20, iat=1700,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1702,1703,
 &end
#
#   17 GLU  HB-          18 ILE  QD1         6.50    (#   2321:20        Unique  4.01, 5.80 A)
 &rst
  ixpk= 2321, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
 igr1= 270, 271,
 igr2= 294, 295, 296,
 &end
#
#  114 ALA  HN          113 ILE  QD1         5.50    (#   2323:20        Unique  4.00, 4.95 A)
 &rst
  ixpk= 2323, nxpk= 20, iat=1785,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1779,1780,1781,
 &end
#
#   85 ILE  HA           85 ILE  QD1         4.00    (#   2325:20        Unique  4.61, 5.08 A)
 &rst
  ixpk= 2325, nxpk= 20, iat=1369,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1380,1381,1382,
 &end
#
#   15 GLU  HA           19 ILE  QD1         3.50    (#   2326:20        Unique  1.84, 2.77 A)
 &rst
  ixpk= 2326, nxpk= 20, iat= 239,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 313, 314, 315,
 &end
#
#    0 AMB  20-2:2327    19 ILE  QD1         5.00    (#   2327:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2327, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 285, 224, 225, 226,
 igr2= 313, 314, 315,
 &end
#
#  125 LYS  HA          125 LYS  HB+         3.00    (#   2330:20        Unique  2.37, 2.69 A)
 &rst
  ixpk= 2330, nxpk= 20, iat=1978,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1980,1981,
 &end
#
#  125 LYS  HA          125 LYS  HB-         3.00    (#   2331:20        Unique  2.37, 2.69 A)
 &rst
  ixpk= 2331, nxpk= 20, iat=1978,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1980,1981,
 &end
#
#  125 LYS  HA          125 LYS  HG+         4.00    (#   2332:20        Unique  2.57, 3.31 A)
 &rst
  ixpk= 2332, nxpk= 20, iat=1978,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1983,1984,
 &end
#
#  125 LYS  HB+         125 LYS  HG+         3.00    (#   2333:20        Unique  2.21, 2.63 A)
 &rst
  ixpk= 2333, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1980,1981,
 igr2=1983,1984,
 &end
#
#    0 AMB  20-2:2334     0 AMB  20-1:2334   3.00    (#   2334:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2334, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1980,1981,1986,1987,
 igr2=1983,1984,1983,1984,
 &end
#
#  124 TYR  HA          124 TYR  HB+         3.00    (#   2335:20        Unique  2.27, 2.50 A)
 &rst
  ixpk= 2335, nxpk= 20, iat=1957,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1959,1960,
 &end
#
#  124 TYR  HA          124 TYR  HB-         3.00    (#   2336:20        Unique  2.27, 2.50 A)
 &rst
  ixpk= 2336, nxpk= 20, iat=1957,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1959,1960,
 &end
#
#  122 ARG  HN          121 ALA  MB          3.00    (#   2337:20        Unique  2.35, 3.41 A)
 &rst
  ixpk= 2337, nxpk= 20, iat=1924,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1918,1919,1920,
 &end
#
#  109 THR  HA          112 ALA  MB          4.00    (#   2338:20        Unique  2.69, 3.81 A)
 &rst
  ixpk= 2338, nxpk= 20, iat=1712,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1760,1761,1762,
 &end
#
#   75 LEU  HG           75 LEU  HB+         3.00    (#   2339:20        Unique  2.40, 2.73 A)
 &rst
  ixpk= 2339, nxpk= 20, iat=1214,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1211,1212,
 &end
#
#   98 SER  HB+         120 LEU  MDY         4.00    (#   2340:20        Unique  2.92, 5.40 A)
 &rst
  ixpk= 2340, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1564,1565,
 igr2=1904,1905,1906,1908,1909,1910,
 &end
#
#  120 LEU  HB-         120 LEU  MDY         3.00    (#   2341:20        Unique  1.92, 3.27 A)
 &rst
  ixpk= 2341, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1899,1900,
 igr2=1904,1905,1906,1908,1909,1910,
 &end
#
#   92 VAL  HA           83 ALA  MB          4.00    (#   2342:20        Unique  3.10, 3.97 A)
 &rst
  ixpk= 2342, nxpk= 20, iat=1460,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1349,1350,1351,
 &end
#
#  117 LEU  HN          116 TRP  HB+         4.00    (#   2343:20        Unique  2.25, 3.28 A)
 &rst
  ixpk= 2343, nxpk= 20, iat=1831,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1811,1812,
 &end
#
#   78 MET  HG-         116 TRP  HB-         5.50    (#   2345:20        Unique  2.86, 4.79 A)
 &rst
  ixpk= 2345, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1267,1268,
 igr2=1811,1812,
 &end
#
#  113 ILE  HA          113 ILE  HG1-        3.50    (#   2346:20        Unique  2.16, 2.73 A)
 &rst
  ixpk= 2346, nxpk= 20, iat=1768,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1776,1777,
 &end
#
#  111 GLU  HA          111 GLU  HG+         3.00    (#   2347:20        Unique  2.51, 3.16 A)
 &rst
  ixpk= 2347, nxpk= 20, iat=1743,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1748,1749,
 &end
#
#    4 VAL  HA            5 GLU  HG+         6.00    (#   2348:20        Unique  4.59, 5.75 A)
 &rst
  ixpk= 2348, nxpk= 20, iat=  44,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  65,  66,
 &end
#
#  113 ILE  HB          110 GLN  HA          3.00    (#   2349:20        Unique  2.85, 2.97 A)
 &rst
  ixpk= 2349, nxpk= 20, iat=1770,1726, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  111 GLU  HB+         108 ASP  HA          3.00    (#   2350:20        Unique  2.84, 3.66 A)
 &rst
  ixpk= 2350, nxpk= 20, iat=  -1,1700, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1745,1746,
 &end
#
#  108 ASP  HB-         108 ASP  HA          3.00    (#   2351:20        Unique  2.32, 2.81 A)
 &rst
  ixpk= 2351, nxpk= 20, iat=  -1,1700, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1702,1703,
 &end
#
#  109 THR  HN          108 ASP  HB+         3.50    (#   2352:20        Unique  2.52, 2.89 A)
 &rst
  ixpk= 2352, nxpk= 20, iat=1710,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1702,1703,
 &end
#
#   47 LYS  HG+         103 ILE  QD1         4.50    (#   2353:20        Unique  2.18, 4.28 A)
 &rst
  ixpk= 2353, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 757, 758,
 igr2=1640,1641,1642,
 &end
#
#  104 ASP  HA          103 ILE  QG2         4.00    (#   2354:20        Unique  3.80, 4.79 A)
 &rst
  ixpk= 2354, nxpk= 20, iat=1648,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1633,1634,1635,
 &end
#
#   47 LYS  HN          101 GLU  HB+         3.50    (#   2355:20        Unique  1.82, 3.03 A)
 &rst
  ixpk= 2355, nxpk= 20, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1606,1607,
 &end
#
#    0 AMB  20-2:2357     0 AMB  20-1:2357   4.00    (#   2357:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2357, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 357, 750,
 igr2= 364, 365,1609,1610,
 &end
#
#    0 AMB  20-2:2358     0 AMB  20-1:2358   4.00    (#   2358:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2358, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
      1909,1910,
 igr2=1564,1565,1564,1565,
 &end
#
#    0 AMB  20-2:2359     0 AMB  20-1:2359   4.00    (#   2359:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2359, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr1=1840,1841,1842,1844,1845,1846,1304,1305,1306,1308,
      1309,1310,
 igr2=1564,1565,1564,1565,
 &end
#
#   97 LEU  HN           97 LEU  HA          4.00    (#   2360:20        Unique  2.68, 2.71 A)
 &rst
  ixpk= 2360, nxpk= 20, iat=1541,1543, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   97 LEU  HN           97 LEU  HB+         3.50    (#   2361:20        Unique  2.20, 2.98 A)
 &rst
  ixpk= 2361, nxpk= 20, iat=1541,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1545,1546,
 &end
#
#   97 LEU  HA           97 LEU  HB+         3.50    (#   2362:20        Unique  2.44, 2.78 A)
 &rst
  ixpk= 2362, nxpk= 20, iat=1543,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1545,1546,
 &end
#
#   75 LEU  MDX          75 LEU  HB+         3.80    (#   2363:20        Unique  2.25, 3.28 A)
 &rst
  ixpk= 2363, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1=1216,1217,1218,1220,1221,1222,
 igr2=1211,1212,
 &end
#
#    0 AMB  20-2:2365    97 LEU  HA          7.00    (#   2365:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2365, nxpk= 20, iat=  -1,1543, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1596,1597,1598,1513,1514,1515,
 &end
#
#   96 LYS  HG-          96 LYS  HA          3.60    (#   2366:20        Unique  2.43, 3.28 A)
 &rst
  ixpk= 2366, nxpk= 20, iat=  -1,1521, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1526,1527,
 &end
#
#   47 LYS  HB+          47 LYS  HE+         3.00    (#   2371:20        Unique  2.79, 4.20 A)
 &rst
  ixpk= 2371, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 754, 755,
 igr2= 763, 764,
 &end
#
#  103 ILE  QD1          47 LYS  HE+         3.00    (#   2372:20        Unique  2.38, 3.93 A)
 &rst
  ixpk= 2372, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1640,1641,1642,
 igr2= 763, 764,
 &end
#
#    0 AMB  20-2:2375     0 AMB  20-1:2375   4.00    (#   2375:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2375, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 733, 734, 169, 170,
 igr2=1035,1036,1037, 130, 131, 132,
 &end
#
#    0 AMB  20-2:2376    62 THR  MG2         6.00    (#   2376:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2376, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 733, 734, 776, 777,
 igr2=1035,1036,1037,
 &end
#
#   94 THR  HA           94 THR  HB          3.50    (#   2378:20        Unique  2.92, 2.96 A)
 &rst
  ixpk= 2378, nxpk= 20, iat=1497,1499, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:2379    76 LYS  HA          6.00    (#   2379:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2379, nxpk= 20, iat=  -1,1228, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1196,1290,
 &end
#
#   29 ALA  HA           30 MET  ME          5.00    (#   2380:20        Unique  3.99, 5.02 A)
 &rst
  ixpk= 2380, nxpk= 20, iat= 462,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 481, 482, 483,
 &end
#
#   65 VAL  HA           82 VAL  MGX         4.50    (#   2381:20        Unique  1.52, 3.98 A)
 &rst
  ixpk= 2381, nxpk= 20, iat=1076,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#   51 LYS  HN           50 LYS  HB-         4.50    (#   2384:20        Unique  3.14, 3.78 A)
 &rst
  ixpk= 2384, nxpk= 20, iat= 840,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 822, 823,
 &end
#
#   72 ASP  HN           70 PRO  HB+         3.80    (#   2385:20        Unique  2.20, 3.11 A)
 &rst
  ixpk= 2385, nxpk= 20, iat=1169,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2=1150,1151,
 &end
#
#   33 TYR  HN           32 TRP  HB+         3.50    (#   2389:20        Unique  2.24, 2.77 A)
 &rst
  ixpk= 2389, nxpk= 20, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 498, 499,
 &end
#
#   33 TYR  HN           32 TRP  HB-         3.50    (#   2390:20        Unique  2.24, 2.77 A)
 &rst
  ixpk= 2390, nxpk= 20, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 498, 499,
 &end
#
#   63 VAL  HB           63 VAL  MGX         4.00    (#   2391:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 2391, nxpk= 20, iat=1047,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#  114 ALA  HN          111 GLU  HA          4.50    (#   2392:20        Unique  3.85, 3.91 A)
 &rst
  ixpk= 2392, nxpk= 20, iat=1785,1743, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 GLU  HB-          11 GLU  HA          5.00    (#   2394:20        Unique  4.20, 4.51 A)
 &rst
  ixpk= 2394, nxpk= 20, iat=  -1, 164, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 241, 242,
 &end
#
#   14 ILE  HN           11 GLU  HA          5.50    (#   2396:20        Unique  4.74, 5.00 A)
 &rst
  ixpk= 2396, nxpk= 20, iat= 218, 164, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   74 CYS  HN           71 ASP  HA          4.00    (#   2397:20        Unique  2.82, 3.52 A)
 &rst
  ixpk= 2397, nxpk= 20, iat=1196,1159, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    8 GLU  HA           11 GLU  HB-         4.50    (#   2398:20        Unique  2.63, 3.84 A)
 &rst
  ixpk= 2398, nxpk= 20, iat= 111,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 166, 167,
 &end
#
#   14 ILE  HA           18 ILE  QD1         5.00    (#   2399:20        Unique  2.63, 3.83 A)
 &rst
  ixpk= 2399, nxpk= 20, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 294, 295, 296,
 &end
#
#    0 AMB  20-2:2400    29 ALA  HA          5.00    (#   2400:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2400, nxpk= 20, iat=  -1, 462, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr1= 496, 408, 489, 490,2002,2003, 423,
 &end
#
#   63 VAL  MGX          62 THR  HA          4.00    (#   2401:20        Unique  3.50, 4.92 A)
 &rst
  ixpk= 2401, nxpk= 20, iat=  -1,1031, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1049,1050,1051,1053,1054,1055,
 &end
#
#   62 THR  HN           62 THR  HA          4.00    (#   2402:20        Unique  2.80, 2.82 A)
 &rst
  ixpk= 2402, nxpk= 20, iat=1029,1031, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   55 THR  MG2          54 LYS  HB-         6.50    (#   2404:20        Unique  3.31, 5.13 A)
 &rst
  ixpk= 2404, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
 igr1= 925, 926, 927,
 igr2= 901, 902,
 &end
#
#    3 SER  HN            3 SER  HA          3.50    (#   2405:20        Unique  2.79, 2.84 A)
 &rst
  ixpk= 2405, nxpk= 20, iat=  31,  33, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    3 SER  HN            3 SER  HB-         4.00    (#   2406:20        Unique  2.75, 3.56 A)
 &rst
  ixpk= 2406, nxpk= 20, iat=  31,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=  35,  36,
 &end
#
#    6 ARG  HN            6 ARG  HD+         4.00    (#   2411:20        Unique  1.84, 3.39 A)
 &rst
  ixpk= 2411, nxpk= 20, iat=  73,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=  83,  84,
 &end
#
#    8 GLU  HN            8 GLU  HA          3.00    (#   2412:20        Unique  2.28, 2.41 A)
 &rst
  ixpk= 2412, nxpk= 20, iat= 109, 111, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   19 ILE  QD1          15 GLU  HA          3.00    (#   2414:20        Unique  1.84, 2.77 A)
 &rst
  ixpk= 2414, nxpk= 20, iat=  -1, 239, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 313, 314, 315,
 &end
#
#    0 AMB  20-2:2415    11 GLU  HA          4.00    (#   2415:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2415, nxpk= 20, iat=  -1, 164, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1= 224, 225, 226, 142, 143,
 &end
#
#    9 THR  HN            8 GLU  HB+         4.50    (#   2416:20        Unique  3.41, 3.97 A)
 &rst
  ixpk= 2416, nxpk= 20, iat= 124,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 113, 114,
 &end
#
#    9 THR  HN            8 GLU  HB-         5.00    (#   2417:20        Unique  3.41, 3.97 A)
 &rst
  ixpk= 2417, nxpk= 20, iat= 124,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 113, 114,
 &end
#
#    0 AMB  20-2:2419     9 THR  HA          5.00    (#   2419:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2419, nxpk= 20, iat=  -1, 126, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=  83,  84, 181, 182,
 &end
#
#    9 THR  HA            9 THR  MG2         3.00    (#   2420:20        Unique  3.52, 3.85 A)
 &rst
  ixpk= 2420, nxpk= 20, iat= 126,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 130, 131, 132,
 &end
#
#    0 AMB  20-2:2422     0 AMB  20-1:2422   6.00    (#   2422:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2422, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 266, 124,
 igr2= 196, 140,
 &end
#
#   15 GLU  HN           14 ILE  HA          4.50    (#   2423:20        Unique  3.48, 3.49 A)
 &rst
  ixpk= 2423, nxpk= 20, iat= 237, 220, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   19 ILE  HN           14 ILE  HA          5.00    (#   2424:20        Unique  4.61, 5.20 A)
 &rst
  ixpk= 2424, nxpk= 20, iat= 300, 220, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   18 ILE  HN           14 ILE  HA          5.00    (#   2425:20        Unique  2.90, 3.39 A)
 &rst
  ixpk= 2425, nxpk= 20, iat= 281, 220, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   14 ILE  QD1          14 ILE  HA          4.00    (#   2426:20        Unique  3.89, 4.40 A)
 &rst
  ixpk= 2426, nxpk= 20, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 231, 232, 233,
 &end
#
#   18 ILE  QD1          14 ILE  HG1-        5.50    (#   2427:20        Unique  1.95, 3.08 A)
 &rst
  ixpk= 2427, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 294, 295, 296,
 igr2= 228, 229,
 &end
#
#   14 ILE  HA           14 ILE  QD1         4.00    (#   2431:20        Unique  3.89, 4.40 A)
 &rst
  ixpk= 2431, nxpk= 20, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 231, 232, 233,
 &end
#
#   10 ARG  HB-          14 ILE  QD1         5.00    (#   2432:20        Unique  2.74, 5.15 A)
 &rst
  ixpk= 2432, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 142, 143,
 igr2= 231, 232, 233,
 &end
#
#   15 GLU  HA           14 ILE  QG2         4.00    (#   2433:20        Unique  3.10, 3.88 A)
 &rst
  ixpk= 2433, nxpk= 20, iat= 239,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 224, 225, 226,
 &end
#
#   14 ILE  HA           14 ILE  QG2         4.00    (#   2434:20        Unique  2.75, 3.65 A)
 &rst
  ixpk= 2434, nxpk= 20, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 224, 225, 226,
 &end
#
#    0 AMB  20-2:2435     0 AMB  20-1:2435   5.00    (#   2435:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2435, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 252, 372,
 igr2= 239, 423,
 &end
#
#   57 THR  HN           57 THR  HB          5.00    (#   2438:20        Unique  2.29, 2.65 A)
 &rst
  ixpk= 2438, nxpk= 20, iat= 944, 948, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 GLU  HN           16 THR  HB          6.00    (#   2439:20        Unique  4.51, 4.54 A)
 &rst
  ixpk= 2439, nxpk= 20, iat= 266, 256, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   16 THR  MG2          16 THR  HB          3.00    (#   2440:20        Unique  2.36, 2.64 A)
 &rst
  ixpk= 2440, nxpk= 20, iat=  -1, 256, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 258, 259, 260,
 &end
#
#    0 AMB  20-2:2441    16 THR  HB          5.50    (#   2441:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2441, nxpk= 20, iat=  -1, 256, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 325, 326, 327, 329, 330, 331, 325, 326, 327, 329,
       330, 331,
 &end
#
#   40 LEU  HN           39 THR  HA          4.00    (#   2444:20        Unique  3.48, 3.55 A)
 &rst
  ixpk= 2444, nxpk= 20, iat= 638, 626, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:2445    18 ILE  HB          7.00    (#   2445:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2445, nxpk= 20, iat=  -1, 285, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 222, 304,
 &end
#
#   18 ILE  HN           18 ILE  HG1+        5.00    (#   2446:20        Unique  2.27, 3.33 A)
 &rst
  ixpk= 2446, nxpk= 20, iat= 281,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 291, 292,
 &end
#
#   36 LEU  HN           18 ILE  QG2         7.00    (#   2448:20        Unique  4.90, 5.73 A)
 &rst
  ixpk= 2448, nxpk= 20, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 287, 288, 289,
 &end
#
#    0 AMB  20-2:2449    18 ILE  QD1         7.00    (#   2449:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2449, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 218, 581,
 igr2= 294, 295, 296,
 &end
#
#    0 AMB  20-2:2450    18 ILE  QD1         7.00    (#   2450:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2450, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1= 564, 565,1799,1800,
 igr2= 294, 295, 296,
 &end
#
#   14 ILE  HB           18 ILE  QD1         6.00    (#   2451:20        Unique  4.06, 5.22 A)
 &rst
  ixpk= 2451, nxpk= 20, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 294, 295, 296,
 &end
#
#   14 ILE  QD1          18 ILE  QD1         6.00    (#   2452:20        Unique  2.14, 4.14 A)
 &rst
  ixpk= 2452, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 231, 232, 233,
 igr2= 294, 295, 296,
 &end
#
#   19 ILE  QD1          19 ILE  HA          4.00    (#   2453:20        Unique  3.78, 4.60 A)
 &rst
  ixpk= 2453, nxpk= 20, iat=  -1, 302, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 313, 314, 315,
 &end
#
#    0 AMB  20-2:2454    19 ILE  HA          4.00    (#   2454:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2454, nxpk= 20, iat=  -1, 302, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 325, 326, 327, 329, 330, 331, 325, 326, 327, 329,
       330, 331,
 &end
#
#   32 TRP  HD1          19 ILE  QG2         3.50    (#   2455:20        Unique  1.85, 2.81 A)
 &rst
  ixpk= 2455, nxpk= 20, iat= 502,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 306, 307, 308,
 &end
#
#   19 ILE  HA           19 ILE  QG2         3.00    (#   2456:20        Unique  2.03, 2.87 A)
 &rst
  ixpk= 2456, nxpk= 20, iat= 302,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 306, 307, 308,
 &end
#
#   78 MET  ME           29 ALA  MB          3.00    (#   2459:20        Unique  1.96, 4.11 A)
 &rst
  ixpk= 2459, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1271,1272,1273,
 igr2= 464, 465, 466,
 &end
#
#   30 MET  HN           29 ALA  MB          3.00    (#   2460:20        Unique  2.75, 3.57 A)
 &rst
  ixpk= 2460, nxpk= 20, iat= 470,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 464, 465, 466,
 &end
#
#   28 ARG  HA           19 ILE  QD1         5.50    (#   2461:20        Unique  3.64, 4.97 A)
 &rst
  ixpk= 2461, nxpk= 20, iat= 438,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 313, 314, 315,
 &end
#
#   18 ILE  QG2          19 ILE  QD1         6.00    (#   2462:20        Unique  2.08, 5.04 A)
 &rst
  ixpk= 2462, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 287, 288, 289,
 igr2= 313, 314, 315,
 &end
#
#   19 ILE  HN           20 VAL  MGY         6.00    (#   2464:20        Unique  3.64, 5.80 A)
 &rst
  ixpk= 2464, nxpk= 20, iat= 300,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 325, 326, 327, 329, 330, 331,
 &end
#
#   92 VAL  HA           92 VAL  MGY         3.00    (#   2465:20        Unique  2.13, 3.52 A)
 &rst
  ixpk= 2465, nxpk= 20, iat=1460,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1464,1465,1466,1468,1469,1470,
 &end
#
#   31 GLY  HA-          22 ALA  MB          5.00    (#   2468:20        Unique  3.00, 4.46 A)
 &rst
  ixpk= 2468, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 489, 490,
 igr2= 351, 352, 353,
 &end
#
#  126 PHE  HB-          25 LYS  HG+         7.00    (#   2473:20        Unique  6.13, 7.31 A)
 &rst
  ixpk= 2473, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=2002,2003,
 igr2= 391, 392,
 &end
#
#   26 GLU  HA           25 LYS  HG-         5.30    (#   2474:20        Unique  3.57, 4.62 A)
 &rst
  ixpk= 2474, nxpk= 20, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
 igr2= 391, 392,
 &end
#
#   29 ALA  HN           28 ARG  HA          4.00    (#   2475:20        Unique  3.56, 3.57 A)
 &rst
  ixpk= 2475, nxpk= 20, iat= 460, 438, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   31 GLY  HN           28 ARG  HA          4.50    (#   2476:20        Unique  3.61, 3.79 A)
 &rst
  ixpk= 2476, nxpk= 20, iat= 487, 438, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 MET  ME           29 ALA  HA          6.50    (#   2477:20        Unique  3.99, 5.02 A)
 &rst
  ixpk= 2477, nxpk= 20, iat=  -1, 462, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1= 481, 482, 483,
 &end
#
#    0 AMB  20-2:2478    32 TRP  HA          5.00    (#   2478:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2478, nxpk= 20, iat=  -1, 496, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 590, 591, 592, 594, 595, 596,1267,1268,
 &end
#
#   18 ILE  QD1          32 TRP  HA          6.50    (#   2479:20        Unique  3.50, 4.86 A)
 &rst
  ixpk= 2479, nxpk= 20, iat=  -1, 496, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1= 294, 295, 296,
 &end
#
#   36 LEU  HB-          33 TYR  HA          3.80    (#   2480:20        Unique  1.89, 2.46 A)
 &rst
  ixpk= 2480, nxpk= 20, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1= 585, 586,
 &end
#
#    0 AMB  20-2:2481    35 TYR  HA          6.00    (#   2481:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2481, nxpk= 20, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 590, 591, 592, 594, 595, 596, 630, 631, 632,
 &end
#
#   18 ILE  QG2          35 TYR  HA          7.00    (#   2482:20        Unique  5.24, 6.84 A)
 &rst
  ixpk= 2482, nxpk= 20, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 287, 288, 289,
 &end
#
#   18 ILE  QG2          35 TYR  HB+         6.00    (#   2483:20        Unique  2.49, 4.65 A)
 &rst
  ixpk= 2483, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 287, 288, 289,
 igr2= 564, 565,
 &end
#
#    0 AMB  20-2:2484   117 LEU  HA          4.00    (#   2484:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2484, nxpk= 20, iat=  -1,1833, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
      1909,1910,
 &end
#
#   40 LEU  HN           36 LEU  HA          4.50    (#   2485:20        Unique  3.49, 3.92 A)
 &rst
  ixpk= 2485, nxpk= 20, iat= 638, 583, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   36 LEU  MDX          36 LEU  HB-         4.00    (#   2486:20        Unique  1.94, 3.22 A)
 &rst
  ixpk= 2486, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 590, 591, 592, 594, 595, 596,
 igr2= 585, 586,
 &end
#
#    0 AMB  20-2:2487    36 LEU  HG          3.50    (#   2487:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2487, nxpk= 20, iat=  -1, 588, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 585, 586,1760,1761,1762,
 &end
#
#   36 LEU  HA           36 LEU  HG          3.00    (#   2488:20        Unique  2.33, 2.68 A)
 &rst
  ixpk= 2488, nxpk= 20, iat= 583, 588, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:2489    37 ASP  HA          4.00    (#   2489:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2489, nxpk= 20, iat=  -1, 602, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 612, 624,
 &end
#
#   40 LEU  MDX          37 ASP  HA          5.00    (#   2490:20        Unique  2.49, 4.69 A)
 &rst
  ixpk= 2490, nxpk= 20, iat=  -1, 602, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 647, 648, 649, 651, 652, 653,
 &end
#
#   39 THR  HB           39 THR  HA          3.50    (#   2492:20        Unique  3.00, 3.01 A)
 &rst
  ixpk= 2492, nxpk= 20, iat= 628, 626, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   38 ASP  HB-          39 THR  HA          5.00    (#   2493:20        Unique  4.09, 4.96 A)
 &rst
  ixpk= 2493, nxpk= 20, iat=  -1, 626, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 616, 617,
 &end
#
#  112 ALA  MB           39 THR  HA          6.00    (#   2494:20        Unique  5.36, 6.24 A)
 &rst
  ixpk= 2494, nxpk= 20, iat=  -1, 626, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1760,1761,1762,
 &end
#
#   39 THR  HA           39 THR  HB          3.50    (#   2496:20        Unique  3.00, 3.01 A)
 &rst
  ixpk= 2496, nxpk= 20, iat= 626, 628, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   39 THR  HA           39 THR  MG2         3.00    (#   2497:20        Unique  2.44, 3.23 A)
 &rst
  ixpk= 2497, nxpk= 20, iat= 626,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 630, 631, 632,
 &end
#
#   41 GLU  HG+          40 LEU  HA          5.50    (#   2500:20        Unique  3.62, 5.04 A)
 &rst
  ixpk= 2500, nxpk= 20, iat=  -1, 640, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 664, 665,
 &end
#
#    0 AMB  20-2:2501    40 LEU  HA          5.00    (#   2501:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2501, nxpk= 20, iat=  -1, 640, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 661, 662,1662,
 &end
#
#    0 AMB  20-2:2502    40 LEU  MDX         5.00    (#   2502:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2502, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1766, 657,
 igr2= 647, 648, 649, 651, 652, 653,
 &end
#
#   39 THR  HB           40 LEU  MDY         5.50    (#   2503:20        Unique  2.84, 4.99 A)
 &rst
  ixpk= 2503, nxpk= 20, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 647, 648, 649, 651, 652, 653,
 &end
#
#   39 THR  HB           40 LEU  MDX         5.50    (#   2504:20        Unique  2.84, 4.99 A)
 &rst
  ixpk= 2504, nxpk= 20, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 647, 648, 649, 651, 652, 653,
 &end
#
#  108 ASP  HB-          40 LEU  MDX         7.00    (#   2505:20        Unique  4.55, 8.16 A)
 &rst
  ixpk= 2505, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1=1702,1703,
 igr2= 647, 648, 649, 651, 652, 653,
 &end
#
#   76 LYS  HE+          75 LEU  MDY         6.00    (#   2507:20        Unique  4.77, 8.06 A)
 &rst
  ixpk= 2507, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1239,1240,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#   43 PRO  HA           42 PHE  HB+         4.00    (#   2511:20        Unique  2.60, 3.40 A)
 &rst
  ixpk= 2511, nxpk= 20, iat= 702,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 676, 677,
 &end
#
#   42 PHE  HA           42 PHE  HB+         3.00    (#   2512:20        Unique  2.26, 2.51 A)
 &rst
  ixpk= 2512, nxpk= 20, iat= 674,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 676, 677,
 &end
#
#   42 PHE  HA           42 PHE  HB-         3.00    (#   2513:20        Unique  2.26, 2.51 A)
 &rst
  ixpk= 2513, nxpk= 20, iat= 674,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 676, 677,
 &end
#
#   16 THR  HB           16 THR  HA          3.00    (#   2514:20        Unique  2.33, 2.35 A)
 &rst
  ixpk= 2514, nxpk= 20, iat= 256, 254, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:2516    44 PHE  HA          6.00    (#   2516:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2516, nxpk= 20, iat=  -1, 708, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 733, 734,1650,1651, 676, 677,
 &end
#
#   33 TYR  HD           68 MET  ME          4.00    (#   2517:20        Unique  1.81, 4.08 A)
 &rst
  ixpk= 2517, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 526, 535,
 igr2=1127,1128,1129,
 &end
#
#   45 MET  ME           46 GLY  HA+         4.50    (#   2520:20        Unique  2.34, 3.92 A)
 &rst
  ixpk= 2520, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 737, 738, 739,
 igr2= 745, 746,
 &end
#
#   48 TRP  HB-          47 LYS  HA          5.00    (#   2521:20        Unique  4.38, 4.65 A)
 &rst
  ixpk= 2521, nxpk= 20, iat=  -1, 752, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 776, 777,
 &end
#
#  117 LEU  MDY          99 ASP  HA          5.00    (#   2523:20        Unique  1.96, 4.12 A)
 &rst
  ixpk= 2523, nxpk= 20, iat=  -1,1573, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1840,1841,1842,1844,1845,1846,
 &end
#
#   50 LYS  HG+          99 ASP  HA          9.00    (#   2524:20        Unique  8.49, 9.44 A)
 &rst
  ixpk= 2524, nxpk= 20, iat=  -1,1573, r1= 1.30, r2= 1.80, r3=10.10, r4=10.60,
 igr1= 825, 826,
 &end
#
#   48 TRP  HE1          50 LYS  HE+         5.00    (#   2525:20        Unique  2.73, 4.02 A)
 &rst
  ixpk= 2525, nxpk= 20, iat= 782,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 831, 832,
 &end
#
#  100 ILE  HG1-         48 TRP  HA          3.50    (#   2526:20        Unique  1.84, 2.79 A)
 &rst
  ixpk= 2526, nxpk= 20, iat=  -1, 774, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1593,1594,
 &end
#
#   49 LYS  HB-          48 TRP  HA          6.00    (#   2527:20        Unique  4.82, 5.31 A)
 &rst
  ixpk= 2527, nxpk= 20, iat=  -1, 774, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 800, 801,
 &end
#
#   99 ASP  HB+          48 TRP  HA          6.00    (#   2528:20        Unique  4.09, 5.24 A)
 &rst
  ixpk= 2528, nxpk= 20, iat=  -1, 774, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1575,1576,
 &end
#
#   48 TRP  HE1          48 TRP  HA          5.00    (#   2529:20        Unique  4.74, 4.79 A)
 &rst
  ixpk= 2529, nxpk= 20, iat= 782, 774, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   61 LYS  HN           48 TRP  HB-         4.00    (#   2530:20        Unique  2.30, 3.41 A)
 &rst
  ixpk= 2530, nxpk= 20, iat=1007,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 776, 777,
 &end
#
#   60 GLU  HA           49 LYS  HA          3.00    (#   2531:20        Unique  2.44, 2.69 A)
 &rst
  ixpk= 2531, nxpk= 20, iat= 994, 798, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   49 LYS  HN           49 LYS  HB+         4.00    (#   2532:20        Unique  2.73, 3.17 A)
 &rst
  ixpk= 2532, nxpk= 20, iat= 796,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 800, 801,
 &end
#
#   49 LYS  HE+          49 LYS  HB-         4.50    (#   2534:20        Unique  2.01, 3.77 A)
 &rst
  ixpk= 2534, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 809, 810,
 igr2= 800, 801,
 &end
#
#   49 LYS  HA           49 LYS  HG-         4.00    (#   2535:20        Unique  3.02, 3.61 A)
 &rst
  ixpk= 2535, nxpk= 20, iat= 798,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 803, 804,
 &end
#
#    0 AMB  20-2:2536     0 AMB  20-1:2536   5.50    (#   2536:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2536, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 798, 921,
 igr2= 803, 804, 904, 905,
 &end
#
#   50 LYS  HA           50 LYS  HD-         5.00    (#   2537:20        Unique  3.70, 4.35 A)
 &rst
  ixpk= 2537, nxpk= 20, iat= 820,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 828, 829,
 &end
#
#   61 LYS  HE-          50 LYS  HD+         5.00    (#   2538:20        Unique  2.56, 4.65 A)
 &rst
  ixpk= 2538, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1020,1021,
 igr2= 828, 829,
 &end
#
#   61 LYS  HE-          50 LYS  HD-         5.00    (#   2539:20        Unique  2.56, 4.65 A)
 &rst
  ixpk= 2539, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1020,1021,
 igr2= 828, 829,
 &end
#
#    4 VAL  HN            3 SER  HB-         5.00    (#   2540:20        Unique  4.29, 4.49 A)
 &rst
  ixpk= 2540, nxpk= 20, iat=  42,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  35,  36,
 &end
#
#   57 THR  HN           56 SER  HA          4.80    (#   2542:20        Unique  2.82, 3.16 A)
 &rst
  ixpk= 2542, nxpk= 20, iat= 944, 935, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#    0 AMB  20-2:2543    56 SER  HA          4.00    (#   2543:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2543, nxpk= 20, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 844, 845, 850, 851,
 &end
#
#    0 AMB  20-2:2544    58 ILE  HB          5.50    (#   2544:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2544, nxpk= 20, iat=  -1, 962, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 946, 842,
 &end
#
#   59 GLU  HG-          59 GLU  HA          3.00    (#   2546:20        Unique  2.24, 2.99 A)
 &rst
  ixpk= 2546, nxpk= 20, iat=  -1, 979, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 984, 985,
 &end
#
#   59 GLU  HG+          59 GLU  HA          3.00    (#   2547:20        Unique  2.24, 2.99 A)
 &rst
  ixpk= 2547, nxpk= 20, iat=  -1, 979, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 984, 985,
 &end
#
#    0 AMB  20-2:2548    59 GLU  HA          4.00    (#   2548:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2548, nxpk= 20, iat=  -1, 979, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1= 964, 965, 966, 822, 823,
 &end
#
#   49 LYS  HA           60 GLU  HA          3.00    (#   2549:20        Unique  2.44, 2.69 A)
 &rst
  ixpk= 2549, nxpk= 20, iat= 798, 994, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   62 THR  HB           62 THR  HA          3.50    (#   2551:20        Unique  2.96, 3.00 A)
 &rst
  ixpk= 2551, nxpk= 20, iat=1033,1031, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   45 MET  HA           62 THR  MG2         6.00    (#   2552:20        Unique  5.10, 6.19 A)
 &rst
  ixpk= 2552, nxpk= 20, iat= 728,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1035,1036,1037,
 &end
#
#    0 AMB  20-2:2554    63 VAL  MGX         6.00    (#   2554:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2554, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1=1007,1090, 796,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#   62 THR  HA           63 VAL  MGX         4.00    (#   2555:20        Unique  3.50, 4.92 A)
 &rst
  ixpk= 2555, nxpk= 20, iat=1031,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#   63 VAL  HA           63 VAL  MGX         4.00    (#   2556:20        Unique  1.97, 3.45 A)
 &rst
  ixpk= 2556, nxpk= 20, iat=1045,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#    0 AMB  20-2:2560     0 AMB  20-1:2560   4.00    (#   2560:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2560, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
 igr1= 803, 804,1349,1350,1351, 757, 758,
 igr2=1606,1607,1063,1064,
 &end
#
#   65 VAL  HA           65 VAL  HB          3.50    (#   2562:20        Unique  2.27, 2.94 A)
 &rst
  ixpk= 2562, nxpk= 20, iat=1076,1078, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:2563    65 VAL  MGX         6.00    (#   2563:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2563, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1=1111,1112, 745, 746,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#   80 VAL  HA           65 VAL  MGY         6.00    (#   2565:20        Unique  4.10, 5.89 A)
 &rst
  ixpk= 2565, nxpk= 20, iat=1300,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#   63 VAL  MGY          65 VAL  MGY         6.00    (#   2566:20        Unique  2.89, 8.02 A)
 &rst
  ixpk= 2566, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1=1049,1050,1051,1053,1054,1055,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#   43 PRO  HA           66 LEU  HA          4.00    (#   2569:20        Unique  3.03, 3.48 A)
 &rst
  ixpk= 2569, nxpk= 20, iat= 702,1092, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   66 LEU  HN           66 LEU  HB-         3.50    (#   2570:20        Unique  2.22, 2.96 A)
 &rst
  ixpk= 2570, nxpk= 20, iat=1090,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1094,1095,
 &end
#
#   81 GLU  HB+          66 LEU  HB-         4.00    (#   2571:20        Unique  2.11, 3.49 A)
 &rst
  ixpk= 2571, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1318,1319,
 igr2=1094,1095,
 &end
#
#   81 GLU  HB+          66 LEU  HB+         3.00    (#   2572:20        Unique  2.11, 3.49 A)
 &rst
  ixpk= 2572, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1318,1319,
 igr2=1094,1095,
 &end
#
#   66 LEU  HB+          66 LEU  MDX         3.00    (#   2573:20        Unique  2.06, 3.37 A)
 &rst
  ixpk= 2573, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1094,1095,
 igr2=1099,1100,1101,1103,1104,1105,
 &end
#
#   64 GLU  HB-          66 LEU  MDX         4.00    (#   2574:20        Unique  3.35, 5.97 A)
 &rst
  ixpk= 2574, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1063,1064,
 igr2=1099,1100,1101,1103,1104,1105,
 &end
#
#   68 MET  ME           69 ALA  MB          5.00    (#   2575:20        Unique  4.86, 6.69 A)
 &rst
  ixpk= 2575, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1127,1128,1129,
 igr2=1137,1138,1139,
 &end
#
#   70 PRO  HD+          70 PRO  HA          4.50    (#   2576:20        Unique  3.60, 3.85 A)
 &rst
  ixpk= 2576, nxpk= 20, iat=  -1,1153, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1144,1145,
 &end
#
#   71 ASP  HA           70 PRO  HA          5.00    (#   2577:20        Unique  4.30, 4.31 A)
 &rst
  ixpk= 2577, nxpk= 20, iat=1159,1153, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   73 GLU  HN           71 ASP  HA          4.00    (#   2578:20        Unique  3.30, 3.41 A)
 &rst
  ixpk= 2578, nxpk= 20, iat=1181,1159, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   74 CYS  HB+          71 ASP  HA          5.00    (#   2579:20        Unique  2.52, 4.71 A)
 &rst
  ixpk= 2579, nxpk= 20, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1200,1201,
 &end
#
#   73 GLU  HN           72 ASP  HA          3.50    (#   2580:20        Unique  2.82, 3.03 A)
 &rst
  ixpk= 2580, nxpk= 20, iat=1181,1171, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   75 LEU  MDX          72 ASP  HA          3.00    (#   2581:20        Unique  2.81, 4.44 A)
 &rst
  ixpk= 2581, nxpk= 20, iat=  -1,1171, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1216,1217,1218,1220,1221,1222,
 &end
#
#    0 AMB  20-2:2584    51 LYS  HA          3.00    (#   2584:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2584, nxpk= 20, iat=  -1, 842, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 844, 845, 850, 851,
 &end
#
#   75 LEU  HB-          74 CYS  HA          6.50    (#   2585:20        Unique  4.68, 5.41 A)
 &rst
  ixpk= 2585, nxpk= 20, iat=  -1,1198, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr1=1211,1212,
 &end
#
#    0 AMB  20-2:2586    74 CYS  HA          6.00    (#   2586:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2586, nxpk= 20, iat=  -1,1198, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 481, 482, 483,1120,1121,
 &end
#
#    0 AMB  20-2:2589   126 PHE  HB-         5.00    (#   2589:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2589, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1980,1981,1211,1212,
 igr2=2002,2003,
 &end
#
#   44 PHE  HA           45 MET  HB-         5.50    (#   2590:20        Unique  4.14, 4.83 A)
 &rst
  ixpk= 2590, nxpk= 20, iat= 708,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 730, 731,
 &end
#
#  121 ALA  MB          121 ALA  HA          3.00    (#   2592:20        Unique  2.31, 2.63 A)
 &rst
  ixpk= 2592, nxpk= 20, iat=  -1,1916, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1918,1919,1920,
 &end
#
#    0 AMB  20-2:2594   126 PHE  HB-         6.00    (#   2594:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2594, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1980,1981,1986,1987,
 igr2=2002,2003,
 &end
#
#    0 AMB  20-2:2595   126 PHE  HB-         5.00    (#   2595:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2595, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1=1959,1960, 464, 465, 466,
 igr2=2002,2003,
 &end
#
#   41 GLU  HN          109 THR  MG2         3.00    (#   2597:20        Unique  1.98, 3.56 A)
 &rst
  ixpk= 2597, nxpk= 20, iat= 657,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1716,1717,1718,
 &end
#
#  109 THR  HN          109 THR  MG2         4.00    (#   2599:20        Unique  4.32, 4.51 A)
 &rst
  ixpk= 2599, nxpk= 20, iat=1710,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1716,1717,1718,
 &end
#
#  109 THR  HB          109 THR  MG2         3.00    (#   2600:20        Unique  2.23, 2.64 A)
 &rst
  ixpk= 2600, nxpk= 20, iat=1714,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1716,1717,1718,
 &end
#
#  109 THR  HA          109 THR  MG2         3.00    (#   2601:20        Unique  2.47, 3.20 A)
 &rst
  ixpk= 2601, nxpk= 20, iat=1712,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1716,1717,1718,
 &end
#
#   40 LEU  HG          109 THR  MG2         4.10    (#   2602:20        Unique  1.97, 3.14 A)
 &rst
  ixpk= 2602, nxpk= 20, iat= 645,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2=1716,1717,1718,
 &end
#
#  112 ALA  MB          109 THR  MG2         4.00    (#   2603:20        Unique  4.16, 6.13 A)
 &rst
  ixpk= 2603, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1760,1761,1762,
 igr2=1716,1717,1718,
 &end
#
#   33 TYR  HA           33 TYR  HB+         3.00    (#   2604:20        Unique  2.32, 2.69 A)
 &rst
  ixpk= 2604, nxpk= 20, iat= 520,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 522, 523,
 &end
#
#   63 VAL  MGY          83 ALA  HA          6.00    (#   2606:20        Unique  3.20, 5.91 A)
 &rst
  ixpk= 2606, nxpk= 20, iat=  -1,1347, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1049,1050,1051,1053,1054,1055,
 &end
#
#    0 AMB  20-2:2607    85 ILE  HB          5.00    (#   2607:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2607, nxpk= 20, iat=  -1,1371, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1386,1345,
 &end
#
#    0 AMB  20-2:2610    18 ILE  QD1         5.50    (#   2610:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2610, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 224, 225, 226, 285,
 igr2= 294, 295, 296,
 &end
#
#   36 LEU  HN           32 TRP  HA          4.50    (#   2611:20        Unique  3.73, 4.05 A)
 &rst
  ixpk= 2611, nxpk= 20, iat= 581, 496, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   34 TYR  HB-          31 GLY  HA+         5.00    (#   2613:20        Unique  2.58, 4.22 A)
 &rst
  ixpk= 2613, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 543, 544,
 igr2= 489, 490,
 &end
#
#   19 ILE  HB           19 ILE  QG2         3.00    (#   2615:20        Unique  2.27, 2.63 A)
 &rst
  ixpk= 2615, nxpk= 20, iat= 304,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 306, 307, 308,
 &end
#
#   18 ILE  HB           18 ILE  HG1+        5.50    (#   2617:20        Unique  2.31, 2.71 A)
 &rst
  ixpk= 2617, nxpk= 20, iat= 285,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 291, 292,
 &end
#
#   62 THR  HA          103 ILE  QD1         6.00    (#   2618:20        Unique  4.08, 5.51 A)
 &rst
  ixpk= 2618, nxpk= 20, iat=1031,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1640,1641,1642,
 &end
#
#   62 THR  HB           85 ILE  QD1         4.00    (#   2619:20        Unique  3.19, 4.26 A)
 &rst
  ixpk= 2619, nxpk= 20, iat=1033,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1380,1381,1382,
 &end
#
#   45 MET  HG+          45 MET  HA          4.00    (#   2621:20        Unique  3.26, 3.77 A)
 &rst
  ixpk= 2621, nxpk= 20, iat=  -1, 728, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 733, 734,
 &end
#
#    0 AMB  20-2:2622    50 LYS  HA          3.00    (#   2622:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2622, nxpk= 20, iat=  -1, 820, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 825, 826, 825, 826,
 &end
#
#   51 LYS  HA           58 ILE  HG1-        4.80    (#   2623:20        Unique  2.27, 4.15 A)
 &rst
  ixpk= 2623, nxpk= 20, iat= 842,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 968, 969,
 &end
#
#   51 LYS  HA           58 ILE  HG1+        4.00    (#   2624:20        Unique  2.27, 4.15 A)
 &rst
  ixpk= 2624, nxpk= 20, iat= 842,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 968, 969,
 &end
#
#   18 ILE  QD1          18 ILE  HG1+        5.50    (#   2626:20        Unique  2.23, 2.62 A)
 &rst
  ixpk= 2626, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 294, 295, 296,
 igr2= 291, 292,
 &end
#
#    0 AMB  20-2:2627     0 AMB  20-1:2627   3.00    (#   2627:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2627, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 590, 591, 592, 594, 595, 596,1840,1841,1842,1844,
      1845,1846,
 igr2= 585, 586,1835,1836,
 &end
#
#   36 LEU  HB-          36 LEU  HG          3.50    (#   2629:20        Unique  2.45, 2.81 A)
 &rst
  ixpk= 2629, nxpk= 20, iat=  -1, 588, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 585, 586,
 &end
#
#   33 TYR  HA           36 LEU  MDX         5.00    (#   2630:20        Unique  2.27, 4.23 A)
 &rst
  ixpk= 2630, nxpk= 20, iat= 520,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 590, 591, 592, 594, 595, 596,
 &end
#
#   68 MET  HA           80 VAL  MGY         4.00    (#   2632:20        Unique  2.04, 4.20 A)
 &rst
  ixpk= 2632, nxpk= 20, iat=1118,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1304,1305,1306,1308,1309,1310,
 &end
#
#   10 ARG  HE           10 ARG  HD+         3.50    (#   2636:20        Unique  2.28, 2.75 A)
 &rst
  ixpk= 2636, nxpk= 20, iat= 151,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 148, 149,
 &end
#
#  102 ALA  MB          113 ILE  QD1         3.00    (#   2637:20        Unique  1.99, 3.47 A)
 &rst
  ixpk= 2637, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1621,1622,1623,
 igr2=1779,1780,1781,
 &end
#
#    0 AMB  20-2:2638    30 MET  HA          3.50    (#   2638:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2638, nxpk= 20, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 470, 487,
 &end
#
#   33 TYR  HN           30 MET  HA          5.00    (#   2639:20        Unique  3.93, 4.18 A)
 &rst
  ixpk= 2639, nxpk= 20, iat= 518, 472, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   75 LEU  MDY          30 MET  HB+         7.50    (#   2640:20        Unique  6.42, 8.63 A)
 &rst
  ixpk= 2640, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.35, r4=11.85,
 igr1=1216,1217,1218,1220,1221,1222,
 igr2= 474, 475,
 &end
#
#   37 ASP  HA           37 ASP  HB-         3.00    (#   2641:20        Unique  2.24, 2.66 A)
 &rst
  ixpk= 2641, nxpk= 20, iat= 602,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 604, 605,
 &end
#
#  113 ILE  QD1         113 ILE  HA          4.00    (#   2642:20        Unique  3.76, 4.49 A)
 &rst
  ixpk= 2642, nxpk= 20, iat=  -1,1768, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1779,1780,1781,
 &end
#
#   43 PRO  HD-          43 PRO  HB+         4.50    (#   2643:20        Unique  2.98, 3.70 A)
 &rst
  ixpk= 2643, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 693, 694,
 igr2= 699, 700,
 &end
#
#   43 PRO  HA           43 PRO  HB+         3.00    (#   2644:20        Unique  2.30, 2.51 A)
 &rst
  ixpk= 2644, nxpk= 20, iat= 702,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 699, 700,
 &end
#
#   43 PRO  HA           43 PRO  HB-         3.00    (#   2645:20        Unique  2.30, 2.51 A)
 &rst
  ixpk= 2645, nxpk= 20, iat= 702,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 699, 700,
 &end
#
#   43 PRO  HA           43 PRO  HD+         4.50    (#   2647:20        Unique  3.60, 3.85 A)
 &rst
  ixpk= 2647, nxpk= 20, iat= 702,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 693, 694,
 &end
#
#  105 VAL  MGY          44 PHE  HB-         3.00    (#   2648:20        Unique  2.37, 5.33 A)
 &rst
  ixpk= 2648, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1664,1665,1666,1668,1669,1670,
 igr2= 710, 711,
 &end
#
#    0 AMB  20-2:2649    45 MET  HB-         6.00    (#   2649:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2649, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
 igr1=1035,1036,1037,1377,1378,
 igr2= 730, 731,
 &end
#
#   46 GLY  HA+          45 MET  HG+         5.50    (#   2651:20        Unique  3.03, 4.70 A)
 &rst
  ixpk= 2651, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 745, 746,
 igr2= 733, 734,
 &end
#
#   62 THR  HA           47 LYS  HA          3.00    (#   2652:20        Unique  2.68, 2.82 A)
 &rst
  ixpk= 2652, nxpk= 20, iat=1031, 752, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   47 LYS  HG+          47 LYS  HB+         3.00    (#   2653:20        Unique  2.30, 2.56 A)
 &rst
  ixpk= 2653, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 757, 758,
 igr2= 754, 755,
 &end
#
#  101 GLU  HN           48 TRP  HA          4.00    (#   2654:20        Unique  3.28, 3.44 A)
 &rst
  ixpk= 2654, nxpk= 20, iat=1602, 774, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:2660     0 AMB  20-1:2660   3.00    (#   2660:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2660, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 825, 826, 825, 826,
 igr2= 828, 829, 828, 829,
 &end
#
#   50 LYS  HG+          50 LYS  HD-         3.00    (#   2661:20        Unique  2.23, 2.62 A)
 &rst
  ixpk= 2661, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 825, 826,
 igr2= 828, 829,
 &end
#
#    0 AMB  20-2:2662     0 AMB  20-1:2662   4.00    (#   2662:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2662, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 798, 979,
 igr2= 999,1000, 999,1000,
 &end
#
#   49 LYS  HA           60 GLU  HG-         4.70    (#   2663:20        Unique  3.14, 3.68 A)
 &rst
  ixpk= 2663, nxpk= 20, iat= 798,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 999,1000,
 &end
#
#   82 VAL  MGX          63 VAL  HB          4.00    (#   2668:20        Unique  1.81, 3.13 A)
 &rst
  ixpk= 2668, nxpk= 20, iat=  -1,1047, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1335,1336,1337,1339,1340,1341,
 &end
#
#   81 GLU  HA           94 THR  MG2         4.00    (#   2669:20        Unique  2.44, 3.69 A)
 &rst
  ixpk= 2669, nxpk= 20, iat=1316,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1501,1502,1503,
 &end
#
#    0 AMB  20-2:2670    33 TYR  HA          3.00    (#   2670:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2670, nxpk= 20, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 518, 600,
 &end
#
#   34 TYR  HN           33 TYR  HA          4.00    (#   2671:20        Unique  3.56, 3.57 A)
 &rst
  ixpk= 2671, nxpk= 20, iat= 539, 520, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   42 PHE  HD           67 GLY  HA-         4.50    (#   2673:20        Unique  1.96, 3.65 A)
 &rst
  ixpk= 2673, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 680, 688,
 igr2=1111,1112,
 &end
#
#   81 GLU  HA           69 ALA  HA          6.00    (#   2674:20        Unique  5.13, 5.42 A)
 &rst
  ixpk= 2674, nxpk= 20, iat=1316,1135, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   79 TYR  HA           69 ALA  MB          6.00    (#   2677:20        Unique  4.18, 6.50 A)
 &rst
  ixpk= 2677, nxpk= 20, iat=1279,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1137,1138,1139,
 &end
#
#    0 AMB  20-2:2679    75 LEU  MDX         5.50    (#   2679:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2679, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1=1188,1189,1230,1231,1147,1148,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#   24 ASP  HB-          75 LEU  MDY         8.00    (#   2680:20        Unique  7.34, 9.77 A)
 &rst
  ixpk= 2680, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1= 376, 377,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#   75 LEU  HN           76 LYS  HB-         6.00    (#   2681:20        Unique  4.05, 5.13 A)
 &rst
  ixpk= 2681, nxpk= 20, iat=1207,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1230,1231,
 &end
#
#   77 ASP  HN           78 MET  ME          5.00    (#   2682:20        Unique  4.11, 5.26 A)
 &rst
  ixpk= 2682, nxpk= 20, iat=1248,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1271,1272,1273,
 &end
#
#   80 VAL  MGX          80 VAL  HA          4.00    (#   2683:20        Unique  2.03, 3.55 A)
 &rst
  ixpk= 2683, nxpk= 20, iat=  -1,1300, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1304,1305,1306,1308,1309,1310,
 &end
#
#   82 VAL  HN           81 GLU  HB-         5.00    (#   2684:20        Unique  3.60, 4.13 A)
 &rst
  ixpk= 2684, nxpk= 20, iat=1329,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1318,1319,
 &end
#
#    0 AMB  20-2:2685     0 AMB  20-1:2685   4.00    (#   2685:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2685, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr1=1464,1465,1466,1468,1469,1470,1464,1465,1466,1468,
      1469,1470,
 igr2=1321,1322,1321,1322,
 &end
#
#    0 AMB  20-2:2688    84 ASP  HB-         4.50    (#   2688:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2688, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
 igr1=1407,1408,1014,1015,1349,1350,1351,
 igr2=1359,1360,
 &end
#
#   85 ILE  HB           85 ILE  HG1+        3.50    (#   2689:20        Unique  2.47, 2.76 A)
 &rst
  ixpk= 2689, nxpk= 20, iat=1371,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1377,1378,
 &end
#
#   83 ALA  MB           92 VAL  MGX         4.00    (#   2690:20        Unique  1.92, 5.30 A)
 &rst
  ixpk= 2690, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1349,1350,1351,
 igr2=1464,1465,1466,1468,1469,1470,
 &end
#
#  100 ILE  HG1-        100 ILE  QG2         4.00    (#   2694:20        Unique  2.37, 3.41 A)
 &rst
  ixpk= 2694, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1593,1594,
 igr2=1589,1590,1591,
 &end
#
#  105 VAL  MGX         105 VAL  HB          3.00    (#   2699:20        Unique  2.27, 2.63 A)
 &rst
  ixpk= 2699, nxpk= 20, iat=  -1,1662, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1664,1665,1666,1668,1669,1670,
 &end
#
#  109 THR  HN          109 THR  HA          4.00    (#   2700:20        Unique  2.77, 2.79 A)
 &rst
  ixpk= 2700, nxpk= 20, iat=1710,1712, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   41 GLU  HN          109 THR  HA          4.00    (#   2701:20        Unique  3.39, 3.85 A)
 &rst
  ixpk= 2701, nxpk= 20, iat= 657,1712, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   23 GLU  HB-          23 GLU  HA          3.00    (#   2703:20        Unique  2.39, 2.73 A)
 &rst
  ixpk= 2703, nxpk= 20, iat=  -1, 359, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 361, 362,
 &end
#
#   68 MET  HA           68 MET  ME          4.00    (#   2704:20        Unique  3.41, 4.52 A)
 &rst
  ixpk= 2704, nxpk= 20, iat=1118,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1127,1128,1129,
 &end
#
#   81 GLU  HB+          92 VAL  MGY         3.00    (#   2707:20        Unique  2.40, 5.63 A)
 &rst
  ixpk= 2707, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1318,1319,
 igr2=1464,1465,1466,1468,1469,1470,
 &end
#
#  116 TRP  HZ2         120 LEU  MDY         5.00    (#   2708:20        Unique  1.99, 3.78 A)
 &rst
  ixpk= 2708, nxpk= 20, iat=1820,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1904,1905,1906,1908,1909,1910,
 &end
#
#  122 ARG  HN          122 ARG  HB+         3.00    (#   2709:20        Unique  2.07, 2.64 A)
 &rst
  ixpk= 2709, nxpk= 20, iat=1924,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1928,1929,
 &end
#
#  116 TRP  HZ2         120 LEU  MDX         4.50    (#   2710:20        Unique  1.99, 3.78 A)
 &rst
  ixpk= 2710, nxpk= 20, iat=1820,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1904,1905,1906,1908,1909,1910,
 &end
#
#    0 AMB  20-2:2715     0 AMB  20-1:2715   6.00    (#   2715:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2715, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1= 960, 875, 254,
 igr2= 981, 982, 981, 982, 270, 271,
 &end
#
#    0 AMB  20-2:2716    59 GLU  HB-         5.00    (#   2716:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2716, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 960, 875,
 igr2= 981, 982,
 &end
#
#    4 VAL  HB            3 SER  HA          6.20    (#   2721:20        Unique  5.11, 5.37 A)
 &rst
  ixpk= 2721, nxpk= 20, iat=  46,  33, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#    3 SER  HN            3 SER  HB+         4.00    (#   2722:20        Unique  2.75, 3.56 A)
 &rst
  ixpk= 2722, nxpk= 20, iat=  31,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=  35,  36,
 &end
#
#    6 ARG  HG+           6 ARG  HA          4.00    (#   2724:20        Unique  3.47, 3.86 A)
 &rst
  ixpk= 2724, nxpk= 20, iat=  -1,  75, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=  80,  81,
 &end
#
#    6 ARG  HG+           6 ARG  HB-         3.00    (#   2727:20        Unique  2.26, 2.63 A)
 &rst
  ixpk= 2727, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  80,  81,
 igr2=  77,  78,
 &end
#
#    8 GLU  HA            8 GLU  HB-         3.00    (#   2729:20        Unique  2.35, 2.69 A)
 &rst
  ixpk= 2729, nxpk= 20, iat= 111,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 113, 114,
 &end
#
#   10 ARG  HB-          10 ARG  HA          3.50    (#   2731:20        Unique  2.31, 2.77 A)
 &rst
  ixpk= 2731, nxpk= 20, iat=  -1, 140, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 142, 143,
 &end
#
#   10 ARG  HA           10 ARG  HB+         3.50    (#   2733:20        Unique  2.31, 2.77 A)
 &rst
  ixpk= 2733, nxpk= 20, iat= 140,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 142, 143,
 &end
#
#   11 GLU  HN           11 GLU  HG+         3.80    (#   2734:20        Unique  1.97, 3.12 A)
 &rst
  ixpk= 2734, nxpk= 20, iat= 162,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2= 169, 170,
 &end
#
#   10 ARG  HG-          11 GLU  HG-         6.00    (#   2736:20        Unique  3.73, 6.32 A)
 &rst
  ixpk= 2736, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 145, 146,
 igr2= 169, 170,
 &end
#
#   12 HIS  HB-          12 HIS  HA          3.00    (#   2739:20        Unique  2.30, 2.74 A)
 &rst
  ixpk= 2739, nxpk= 20, iat=  -1, 179, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 181, 182,
 &end
#
#   12 HIS  HB+          12 HIS  HA          3.00    (#   2740:20        Unique  2.30, 2.74 A)
 &rst
  ixpk= 2740, nxpk= 20, iat=  -1, 179, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 181, 182,
 &end
#
#   16 THR  MG2          12 HIS  HA          4.00    (#   2741:20        Unique  3.31, 4.36 A)
 &rst
  ixpk= 2741, nxpk= 20, iat=  -1, 179, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 258, 259, 260,
 &end
#
#   15 GLU  HB-          12 HIS  HA          4.00    (#   2742:20        Unique  2.48, 3.29 A)
 &rst
  ixpk= 2742, nxpk= 20, iat=  -1, 179, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 241, 242,
 &end
#
#   15 GLU  HG+          12 HIS  HA          5.00    (#   2743:20        Unique  3.42, 4.24 A)
 &rst
  ixpk= 2743, nxpk= 20, iat=  -1, 179, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 244, 245,
 &end
#
#   15 GLU  HB+          12 HIS  HA          4.50    (#   2744:20        Unique  2.48, 3.29 A)
 &rst
  ixpk= 2744, nxpk= 20, iat=  -1, 179, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 241, 242,
 &end
#
#   12 HIS  HA           12 HIS  HB+         3.50    (#   2749:20        Unique  2.30, 2.74 A)
 &rst
  ixpk= 2749, nxpk= 20, iat= 179,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 181, 182,
 &end
#
#   12 HIS  HA           12 HIS  HB-         3.50    (#   2750:20        Unique  2.30, 2.74 A)
 &rst
  ixpk= 2750, nxpk= 20, iat= 179,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 181, 182,
 &end
#
#    0 AMB  20-2:2751     0 AMB  20-1:2751   5.00    (#   2751:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2751, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 111, 126,
 igr2= 181, 182, 181, 182,
 &end
#
#    0 AMB  20-2:2752    12 HIS  HB-         6.00    (#   2752:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2752, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 111, 126,
 igr2= 181, 182,
 &end
#
#   14 ILE  HN           10 ARG  HA          4.00    (#   2753:20        Unique  2.30, 2.53 A)
 &rst
  ixpk= 2753, nxpk= 20, iat= 218, 140, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   13 ARG  HD+          13 ARG  HA          4.00    (#   2755:20        Unique  2.03, 4.03 A)
 &rst
  ixpk= 2755, nxpk= 20, iat=  -1, 196, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 204, 205,
 &end
#
#   13 ARG  HB-           0 AMB  20-1:2756   3.00    (#   2756:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2756, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 198, 199,
 igr2= 196, 140,
 &end
#
#    0 AMB  20-2:2757     0 AMB  20-1:2757   5.00    (#   2757:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2757, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 222, 273, 274,
 igr2= 140, 196,
 &end
#
#   10 ARG  HB+          10 ARG  HA          3.00    (#   2758:20        Unique  2.31, 2.77 A)
 &rst
  ixpk= 2758, nxpk= 20, iat=  -1, 140, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 142, 143,
 &end
#
#   13 ARG  HG-          13 ARG  HA          4.00    (#   2759:20        Unique  2.48, 3.18 A)
 &rst
  ixpk= 2759, nxpk= 20, iat=  -1, 196, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 201, 202,
 &end
#
#   14 ILE  HN           13 ARG  HB-         3.00    (#   2760:20        Unique  1.83, 2.50 A)
 &rst
  ixpk= 2760, nxpk= 20, iat= 218,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 198, 199,
 &end
#
#    0 AMB  20-2:2761     0 AMB  20-1:2761   3.00    (#   2761:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2761, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 883, 884, 204, 205,
 igr2= 877, 878, 198, 199,
 &end
#
#    0 AMB  20-2:2762     0 AMB  20-1:2762   3.00    (#   2762:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2762, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 883, 884, 204, 205, 148, 149,
 igr2= 877, 878, 198, 199, 145, 146,
 &end
#
#   13 ARG  HG+          13 ARG  HB+         3.20    (#   2763:20        Unique  2.23, 2.68 A)
 &rst
  ixpk= 2763, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr1= 201, 202,
 igr2= 198, 199,
 &end
#
#   13 ARG  HA           13 ARG  HG+         4.00    (#   2764:20        Unique  2.48, 3.18 A)
 &rst
  ixpk= 2764, nxpk= 20, iat= 196,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 201, 202,
 &end
#
#   18 ILE  HG1-         14 ILE  HA          5.50    (#   2765:20        Unique  1.97, 3.35 A)
 &rst
  ixpk= 2765, nxpk= 20, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 291, 292,
 &end
#
#   18 ILE  HG1+         14 ILE  HA          5.50    (#   2766:20        Unique  1.97, 3.35 A)
 &rst
  ixpk= 2766, nxpk= 20, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 291, 292,
 &end
#
#   15 GLU  HB-          14 ILE  HB          5.00    (#   2767:20        Unique  4.76, 5.43 A)
 &rst
  ixpk= 2767, nxpk= 20, iat=  -1, 222, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 241, 242,
 &end
#
#  100 ILE  QD1         100 ILE  HB          4.00    (#   2768:20        Unique  2.06, 3.20 A)
 &rst
  ixpk= 2768, nxpk= 20, iat=  -1,1587, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1596,1597,1598,
 &end
#
#   19 ILE  QG2          14 ILE  QG2         4.00    (#   2772:20        Unique  4.86, 7.74 A)
 &rst
  ixpk= 2772, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 306, 307, 308,
 igr2= 224, 225, 226,
 &end
#
#    0 AMB  20-2:2773    14 ILE  QG2         3.00    (#   2773:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2773, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 313, 314, 315, 142, 143,
 igr2= 224, 225, 226,
 &end
#
#   10 ARG  HN            8 GLU  HA          4.00    (#   2774:20        Unique  3.02, 3.17 A)
 &rst
  ixpk= 2774, nxpk= 20, iat= 138, 111, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:2775     0 AMB  20-1:2775   3.00    (#   2775:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2775, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 237, 470,
 igr2= 239, 423,
 &end
#
#   18 ILE  HN           15 GLU  HA          5.50    (#   2776:20        Unique  3.81, 4.03 A)
 &rst
  ixpk= 2776, nxpk= 20, iat= 281, 239, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   20 VAL  HN           15 GLU  HA          4.50    (#   2777:20        Unique  3.67, 3.98 A)
 &rst
  ixpk= 2777, nxpk= 20, iat= 319, 239, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 GLU  HA           15 GLU  HG-         3.00    (#   2779:20        Unique  2.80, 3.30 A)
 &rst
  ixpk= 2779, nxpk= 20, iat= 239,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 244, 245,
 &end
#
#   16 THR  MG2          15 GLU  HG-         3.00    (#   2780:20        Unique  1.98, 3.19 A)
 &rst
  ixpk= 2780, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 258, 259, 260,
 igr2= 244, 245,
 &end
#
#   18 ILE  HG1+         17 GLU  HB+         6.00    (#   2781:20        Unique  2.84, 4.19 A)
 &rst
  ixpk= 2781, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 291, 292,
 igr2= 270, 271,
 &end
#
#   18 ILE  HG1+         17 GLU  HB-         6.00    (#   2782:20        Unique  2.84, 4.19 A)
 &rst
  ixpk= 2782, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 291, 292,
 igr2= 270, 271,
 &end
#
#   18 ILE  QD1          17 GLU  HB+         7.00    (#   2783:20        Unique  4.01, 5.80 A)
 &rst
  ixpk= 2783, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 294, 295, 296,
 igr2= 270, 271,
 &end
#
#   18 ILE  QD1          17 GLU  HB-         7.00    (#   2784:20        Unique  4.01, 5.80 A)
 &rst
  ixpk= 2784, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 294, 295, 296,
 igr2= 270, 271,
 &end
#
#   17 GLU  HN           17 GLU  HG+         6.00    (#   2785:20        Unique  2.90, 3.52 A)
 &rst
  ixpk= 2785, nxpk= 20, iat= 266,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 273, 274,
 &end
#
#   18 ILE  HG1+         18 ILE  QD1         5.00    (#   2786:20        Unique  2.23, 2.62 A)
 &rst
  ixpk= 2786, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 291, 292,
 igr2= 294, 295, 296,
 &end
#
#   18 ILE  QG2          18 ILE  QD1         5.00    (#   2787:20        Unique  1.94, 3.59 A)
 &rst
  ixpk= 2787, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 287, 288, 289,
 igr2= 294, 295, 296,
 &end
#
#   22 ALA  HN           19 ILE  HA          5.00    (#   2789:20        Unique  3.81, 3.99 A)
 &rst
  ixpk= 2789, nxpk= 20, iat= 347, 302, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   19 ILE  HG1-         19 ILE  HA          4.00    (#   2790:20        Unique  3.16, 3.76 A)
 &rst
  ixpk= 2790, nxpk= 20, iat=  -1, 302, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 310, 311,
 &end
#
#   19 ILE  HA           19 ILE  HB          3.00    (#   2791:20        Unique  2.53, 2.66 A)
 &rst
  ixpk= 2791, nxpk= 20, iat= 302, 304, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   26 GLU  HA           26 GLU  HG+         3.00    (#   2792:20        Unique  2.20, 2.84 A)
 &rst
  ixpk= 2792, nxpk= 20, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 413, 414,
 &end
#
#   19 ILE  QD1          19 ILE  HB          3.00    (#   2793:20        Unique  2.20, 3.54 A)
 &rst
  ixpk= 2793, nxpk= 20, iat=  -1, 304, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 313, 314, 315,
 &end
#
#   18 ILE  QG2          19 ILE  HB          7.00    (#   2794:20        Unique  4.54, 5.95 A)
 &rst
  ixpk= 2794, nxpk= 20, iat=  -1, 304, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 287, 288, 289,
 &end
#
#   19 ILE  HN           20 VAL  HA          5.00    (#   2795:20        Unique  4.08, 4.42 A)
 &rst
  ixpk= 2795, nxpk= 20, iat= 300, 321, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:2797     0 AMB  20-1:2797   4.00    (#   2797:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2797, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.54, r4= 8.04,
 igr1=1840,1841,1842,1844,1845,1846,1304,1305,1306,1308,
      1309,1310, 306, 307, 308,
 igr2=1564,1565, 321,
 &end
#
#    0 AMB  20-2:2798    98 SER  HB-         4.00    (#   2798:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2798, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
      1909,1910,
 igr2=1564,1565,
 &end
#
#   22 ALA  HN           20 VAL  MGX         6.00    (#   2799:20        Unique  3.47, 5.71 A)
 &rst
  ixpk= 2799, nxpk= 20, iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 325, 326, 327, 329, 330, 331,
 &end
#
#   16 THR  HA           20 VAL  MGX         4.00    (#   2800:20        Unique  1.97, 4.29 A)
 &rst
  ixpk= 2800, nxpk= 20, iat= 254,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 325, 326, 327, 329, 330, 331,
 &end
#
#   21 ASP  HB+          20 VAL  MGX         4.00    (#   2801:20        Unique  2.31, 5.54 A)
 &rst
  ixpk= 2801, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 339, 340,
 igr2= 325, 326, 327, 329, 330, 331,
 &end
#
#   18 ILE  HN           20 VAL  MGY         7.00    (#   2802:20        Unique  3.38, 5.97 A)
 &rst
  ixpk= 2802, nxpk= 20, iat= 281,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2= 325, 326, 327, 329, 330, 331,
 &end
#
#    0 AMB  20-2:2803     0 AMB  20-1:2803   5.50    (#   2803:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2803, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1=1047, 241, 242,
 igr2=1464,1465,1466,1468,1469,1470, 325, 326, 327, 329,
       330, 331,
 &end
#
#   21 ASP  HN           22 ALA  MB          5.50    (#   2804:20        Unique  3.80, 4.89 A)
 &rst
  ixpk= 2804, nxpk= 20, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 351, 352, 353,
 &end
#
#   23 GLU  HN           23 GLU  HB-         3.50    (#   2805:20        Unique  2.59, 3.25 A)
 &rst
  ixpk= 2805, nxpk= 20, iat= 357,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 361, 362,
 &end
#
#   24 ASP  HN           23 GLU  HB+         4.00    (#   2806:20        Unique  3.31, 3.83 A)
 &rst
  ixpk= 2806, nxpk= 20, iat= 372,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 361, 362,
 &end
#
#   24 ASP  HN           23 GLU  HB-         3.00    (#   2807:20        Unique  3.31, 3.83 A)
 &rst
  ixpk= 2807, nxpk= 20, iat= 372,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 361, 362,
 &end
#
#   23 GLU  HA           23 GLU  HB+         3.00    (#   2808:20        Unique  2.39, 2.73 A)
 &rst
  ixpk= 2808, nxpk= 20, iat= 359,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 361, 362,
 &end
#
#   24 ASP  HN           24 ASP  HB+         3.50    (#   2809:20        Unique  2.13, 2.79 A)
 &rst
  ixpk= 2809, nxpk= 20, iat= 372,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 376, 377,
 &end
#
#   25 LYS  HN           25 LYS  HA          3.50    (#   2810:20        Unique  2.73, 2.76 A)
 &rst
  ixpk= 2810, nxpk= 20, iat= 384, 386, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  126 PHE  HB-          25 LYS  HA          4.00    (#   2811:20        Unique  2.61, 4.41 A)
 &rst
  ixpk= 2811, nxpk= 20, iat=  -1, 386, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2002,2003,
 &end
#
#    0 AMB  20-2:2812    25 LYS  HA          4.50    (#   2812:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2812, nxpk= 20, iat=  -1, 386, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 391, 392,1986,1987,
 &end
#
#   25 LYS  HA           25 LYS  HG-         4.50    (#   2813:20        Unique  3.57, 3.91 A)
 &rst
  ixpk= 2813, nxpk= 20, iat= 386,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 391, 392,
 &end
#
#   26 GLU  HG+          26 GLU  HA          3.00    (#   2814:20        Unique  2.20, 2.84 A)
 &rst
  ixpk= 2814, nxpk= 20, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 413, 414,
 &end
#
#   26 GLU  HB+          26 GLU  HA          3.00    (#   2815:20        Unique  2.43, 2.77 A)
 &rst
  ixpk= 2815, nxpk= 20, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 410, 411,
 &end
#
#   26 GLU  HB-          26 GLU  HA          3.00    (#   2816:20        Unique  2.43, 2.77 A)
 &rst
  ixpk= 2816, nxpk= 20, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 410, 411,
 &end
#
#    0 AMB  20-2:2817    26 GLU  HA          3.00    (#   2817:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2817, nxpk= 20, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1216,1217,1218,1220,1221,1222, 464, 465, 466,
 &end
#
#   75 LEU  MDX          26 GLU  HA          3.00    (#   2818:20        Unique  2.66, 4.89 A)
 &rst
  ixpk= 2818, nxpk= 20, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1216,1217,1218,1220,1221,1222,
 &end
#
#   22 ALA  HA           27 GLU  HG-         4.50    (#   2820:20        Unique  3.16, 3.86 A)
 &rst
  ixpk= 2820, nxpk= 20, iat= 349,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 428, 429,
 &end
#
#    0 AMB  20-2:2821    27 GLU  HG-         3.00    (#   2821:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2821, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 425, 426, 410, 411,
 igr2= 428, 429,
 &end
#
#    0 AMB  20-2:2822    28 ARG  HA          5.50    (#   2822:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2822, nxpk= 20, iat=  -1, 438, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 372, 347,
 &end
#
#   32 TRP  HN           28 ARG  HA          4.80    (#   2823:20        Unique  4.02, 4.20 A)
 &rst
  ixpk= 2823, nxpk= 20, iat= 494, 438, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#    0 AMB  20-2:2826    28 ARG  HA          5.00    (#   2826:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2826, nxpk= 20, iat=  -1, 438, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 464, 465, 466,1267,1268,
 &end
#
#   30 MET  ME           29 ALA  MB          3.00    (#   2828:20        Unique  2.20, 3.64 A)
 &rst
  ixpk= 2828, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 481, 482, 483,
 igr2= 464, 465, 466,
 &end
#
#   34 TYR  HN           30 MET  HA          4.50    (#   2829:20        Unique  3.62, 3.90 A)
 &rst
  ixpk= 2829, nxpk= 20, iat= 539, 472, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 MET  HG+          30 MET  HA          3.00    (#   2830:20        Unique  3.12, 3.48 A)
 &rst
  ixpk= 2830, nxpk= 20, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 477, 478,
 &end
#
#    0 AMB  20-2:2831    30 MET  HA          4.00    (#   2831:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2831, nxpk= 20, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 477, 478,1161,1162,
 &end
#
#   30 MET  HB-          30 MET  HA          3.50    (#   2832:20        Unique  2.40, 2.73 A)
 &rst
  ixpk= 2832, nxpk= 20, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 474, 475,
 &end
#
#   30 MET  HA           30 MET  HB+         3.50    (#   2833:20        Unique  2.40, 2.73 A)
 &rst
  ixpk= 2833, nxpk= 20, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 474, 475,
 &end
#
#    0 AMB  20-2:2834    30 MET  HB-         5.00    (#   2834:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2834, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 464, 465, 466,1216,1217,1218,1220,1221,1222,
 igr2= 474, 475,
 &end
#
#   30 MET  HA           30 MET  HG+         4.00    (#   2835:20        Unique  3.12, 3.48 A)
 &rst
  ixpk= 2835, nxpk= 20, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 477, 478,
 &end
#
#   30 MET  HA           30 MET  HG-         4.00    (#   2836:20        Unique  3.12, 3.48 A)
 &rst
  ixpk= 2836, nxpk= 20, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 477, 478,
 &end
#
#   27 GLU  HA           30 MET  HG+         4.00    (#   2837:20        Unique  2.18, 2.45 A)
 &rst
  ixpk= 2837, nxpk= 20, iat= 423,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 477, 478,
 &end
#
#   31 GLY  HN           31 GLY  HA+         3.00    (#   2839:20        Unique  2.29, 2.55 A)
 &rst
  ixpk= 2839, nxpk= 20, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 489, 490,
 &end
#
#   32 TRP  HN           31 GLY  HA+         3.50    (#   2840:20        Unique  2.52, 3.09 A)
 &rst
  ixpk= 2840, nxpk= 20, iat= 494,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 489, 490,
 &end
#
#   32 TRP  HN           31 GLY  HA-         3.50    (#   2841:20        Unique  2.52, 3.09 A)
 &rst
  ixpk= 2841, nxpk= 20, iat= 494,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 489, 490,
 &end
#
#   31 GLY  HN           31 GLY  HA-         3.00    (#   2842:20        Unique  2.29, 2.55 A)
 &rst
  ixpk= 2842, nxpk= 20, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 489, 490,
 &end
#
#   22 ALA  MB           31 GLY  HA+         5.00    (#   2843:20        Unique  3.00, 4.46 A)
 &rst
  ixpk= 2843, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 351, 352, 353,
 igr2= 489, 490,
 &end
#
#   22 ALA  MB           31 GLY  HA-         5.00    (#   2844:20        Unique  3.00, 4.46 A)
 &rst
  ixpk= 2844, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 351, 352, 353,
 igr2= 489, 490,
 &end
#
#   19 ILE  QG2          31 GLY  HA+         4.50    (#   2845:20        Unique  1.92, 4.00 A)
 &rst
  ixpk= 2845, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 306, 307, 308,
 igr2= 489, 490,
 &end
#
#   19 ILE  QG2          31 GLY  HA-         4.50    (#   2846:20        Unique  1.92, 4.00 A)
 &rst
  ixpk= 2846, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 306, 307, 308,
 igr2= 489, 490,
 &end
#
#   18 ILE  QG2          31 GLY  HA+         7.00    (#   2847:20        Unique  3.53, 5.14 A)
 &rst
  ixpk= 2847, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 287, 288, 289,
 igr2= 489, 490,
 &end
#
#   35 TYR  HN           32 TRP  HA          4.50    (#   2848:20        Unique  3.82, 3.95 A)
 &rst
  ixpk= 2848, nxpk= 20, iat= 560, 496, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   36 LEU  MDX          32 TRP  HA          5.00    (#   2852:20        Unique  3.64, 6.40 A)
 &rst
  ixpk= 2852, nxpk= 20, iat=  -1, 496, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 590, 591, 592, 594, 595, 596,
 &end
#
#   32 TRP  HA           32 TRP  HB+         3.50    (#   2854:20        Unique  2.58, 2.82 A)
 &rst
  ixpk= 2854, nxpk= 20, iat= 496,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 498, 499,
 &end
#
#   32 TRP  HA           32 TRP  HB-         3.50    (#   2855:20        Unique  2.58, 2.82 A)
 &rst
  ixpk= 2855, nxpk= 20, iat= 496,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 498, 499,
 &end
#
#   33 TYR  HD           33 TYR  HA          4.00    (#   2856:20        Unique  2.14, 3.48 A)
 &rst
  ixpk= 2856, nxpk= 20, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 526, 535,
 &end
#
#   33 TYR  HD           33 TYR  HB-         3.50    (#   2857:20        Unique  2.33, 3.07 A)
 &rst
  ixpk= 2857, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 526, 535,
 igr2= 522, 523,
 &end
#
#   33 TYR  HD           33 TYR  HB+         3.50    (#   2858:20        Unique  2.33, 3.07 A)
 &rst
  ixpk= 2858, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 526, 535,
 igr2= 522, 523,
 &end
#
#   30 MET  HA           33 TYR  HB-         4.00    (#   2859:20        Unique  2.87, 3.81 A)
 &rst
  ixpk= 2859, nxpk= 20, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 522, 523,
 &end
#
#   33 TYR  HA           33 TYR  HB-         3.50    (#   2860:20        Unique  2.32, 2.69 A)
 &rst
  ixpk= 2860, nxpk= 20, iat= 520,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 522, 523,
 &end
#
#   78 MET  ME           33 TYR  HB-         4.00    (#   2861:20        Unique  1.82, 3.55 A)
 &rst
  ixpk= 2861, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1271,1272,1273,
 igr2= 522, 523,
 &end
#
#   78 MET  ME           33 TYR  HB+         4.00    (#   2862:20        Unique  1.82, 3.55 A)
 &rst
  ixpk= 2862, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1271,1272,1273,
 igr2= 522, 523,
 &end
#
#   30 MET  ME           33 TYR  HB+         6.00    (#   2863:20        Unique  3.79, 5.15 A)
 &rst
  ixpk= 2863, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 481, 482, 483,
 igr2= 522, 523,
 &end
#
#   30 MET  ME           33 TYR  HB-         6.00    (#   2864:20        Unique  3.79, 5.15 A)
 &rst
  ixpk= 2864, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 481, 482, 483,
 igr2= 522, 523,
 &end
#
#   30 MET  HA           33 TYR  HB+         4.80    (#   2865:20        Unique  2.87, 3.81 A)
 &rst
  ixpk= 2865, nxpk= 20, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 522, 523,
 &end
#
#   34 TYR  HN           33 TYR  HB-         3.50    (#   2866:20        Unique  2.27, 3.09 A)
 &rst
  ixpk= 2866, nxpk= 20, iat= 539,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 522, 523,
 &end
#
#   33 TYR  HN           33 TYR  HB-         3.00    (#   2867:20        Unique  2.29, 2.54 A)
 &rst
  ixpk= 2867, nxpk= 20, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 522, 523,
 &end
#
#   34 TYR  HD           34 TYR  HA          4.00    (#   2868:20        Unique  2.59, 3.37 A)
 &rst
  ixpk= 2868, nxpk= 20, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 547, 556,
 &end
#
#   34 TYR  HN           34 TYR  HA          3.50    (#   2869:20        Unique  2.68, 2.71 A)
 &rst
  ixpk= 2869, nxpk= 20, iat= 539, 541, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:2870    34 TYR  HA          5.50    (#   2870:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2870, nxpk= 20, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 549, 554, 568, 577,
 &end
#
#    0 AMB  20-2:2871    35 TYR  HA          4.00    (#   2871:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2871, nxpk= 20, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 624, 612,
 &end
#
#    0 AMB  20-2:2872    35 TYR  HA          6.00    (#   2872:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2872, nxpk= 20, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 604, 605, 588,
 &end
#
#   18 ILE  HG1+         35 TYR  HA          7.00    (#   2873:20        Unique  6.16, 7.54 A)
 &rst
  ixpk= 2873, nxpk= 20, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 291, 292,
 &end
#
#   35 TYR  HA           35 TYR  HB-         3.20    (#   2874:20        Unique  2.24, 2.66 A)
 &rst
  ixpk= 2874, nxpk= 20, iat= 562,  -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr2= 564, 565,
 &end
#
#   32 TRP  HA           35 TYR  HB+         5.00    (#   2875:20        Unique  3.19, 4.34 A)
 &rst
  ixpk= 2875, nxpk= 20, iat= 496,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 564, 565,
 &end
#
#   32 TRP  HA           35 TYR  HB-         5.00    (#   2876:20        Unique  3.19, 4.34 A)
 &rst
  ixpk= 2876, nxpk= 20, iat= 496,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 564, 565,
 &end
#
#   35 TYR  HN           35 TYR  HB-         3.50    (#   2877:20        Unique  2.12, 3.00 A)
 &rst
  ixpk= 2877, nxpk= 20, iat= 560,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 564, 565,
 &end
#
#   36 LEU  HN           35 TYR  HB+         4.00    (#   2878:20        Unique  2.68, 3.58 A)
 &rst
  ixpk= 2878, nxpk= 20, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 564, 565,
 &end
#
#   36 LEU  HG           36 LEU  HB-         3.50    (#   2879:20        Unique  2.45, 2.81 A)
 &rst
  ixpk= 2879, nxpk= 20, iat= 588,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 585, 586,
 &end
#
#   36 LEU  HG           36 LEU  HB+         3.50    (#   2880:20        Unique  2.45, 2.81 A)
 &rst
  ixpk= 2880, nxpk= 20, iat= 588,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 585, 586,
 &end
#
#  112 ALA  HN           36 LEU  HG          6.00    (#   2881:20        Unique  6.15, 7.25 A)
 &rst
  ixpk= 2881, nxpk= 20, iat=1756, 588, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:2883    36 LEU  HG          6.00    (#   2883:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2883, nxpk= 20, iat=  -1, 588, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 676, 677, 498, 499, 564, 565,
 &end
#
#  116 TRP  HB+          36 LEU  MDX         5.00    (#   2884:20        Unique  2.74, 5.26 A)
 &rst
  ixpk= 2884, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1811,1812,
 igr2= 590, 591, 592, 594, 595, 596,
 &end
#
#  116 TRP  HB-          36 LEU  MDX         5.00    (#   2885:20        Unique  2.74, 5.26 A)
 &rst
  ixpk= 2885, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1811,1812,
 igr2= 590, 591, 592, 594, 595, 596,
 &end
#
#   78 MET  HG+          36 LEU  MDX         5.00    (#   2886:20        Unique  1.94, 4.21 A)
 &rst
  ixpk= 2886, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1267,1268,
 igr2= 590, 591, 592, 594, 595, 596,
 &end
#
#  117 LEU  HG          117 LEU  MDY         3.00    (#   2887:20        Unique  2.21, 2.63 A)
 &rst
  ixpk= 2887, nxpk= 20, iat=1838,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1840,1841,1842,1844,1845,1846,
 &end
#
#  117 LEU  HB+         117 LEU  MDY         3.00    (#   2888:20        Unique  2.08, 3.26 A)
 &rst
  ixpk= 2888, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1835,1836,
 igr2=1840,1841,1842,1844,1845,1846,
 &end
#
#  108 ASP  HB+          39 THR  MG2         4.00    (#   2890:20        Unique  1.95, 3.61 A)
 &rst
  ixpk= 2890, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1702,1703,
 igr2= 630, 631, 632,
 &end
#
#   40 LEU  HN           37 ASP  HA          4.00    (#   2891:20        Unique  3.05, 3.52 A)
 &rst
  ixpk= 2891, nxpk= 20, iat= 638, 602, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   39 THR  MG2         108 ASP  HA          4.50    (#   2894:20        Unique  3.13, 3.83 A)
 &rst
  ixpk= 2894, nxpk= 20, iat=  -1,1700, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 630, 631, 632,
 &end
#
#   68 MET  HB-          37 ASP  HA          6.00    (#   2895:20        Unique  4.10, 5.12 A)
 &rst
  ixpk= 2895, nxpk= 20, iat=  -1, 602, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1120,1121,
 &end
#
#   38 ASP  HB+          38 ASP  HA          3.00    (#   2896:20        Unique  2.38, 2.75 A)
 &rst
  ixpk= 2896, nxpk= 20, iat=  -1, 614, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 616, 617,
 &end
#
#   38 ASP  HB-          38 ASP  HA          3.00    (#   2897:20        Unique  2.38, 2.75 A)
 &rst
  ixpk= 2897, nxpk= 20, iat=  -1, 614, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 616, 617,
 &end
#
#   35 TYR  HA           38 ASP  HB-         3.50    (#   2898:20        Unique  2.35, 3.08 A)
 &rst
  ixpk= 2898, nxpk= 20, iat= 562,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 616, 617,
 &end
#
#    0 AMB  20-2:2899    38 ASP  HB-         3.00    (#   2899:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2899, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 612, 624,
 igr2= 616, 617,
 &end
#
#    0 AMB  20-2:2900    39 THR  HB          5.50    (#   2900:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2900, nxpk= 20, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 562, 602,
 &end
#
#    0 AMB  20-2:2901    39 THR  HB          6.00    (#   2901:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2901, nxpk= 20, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 645,1127,1128,1129, 661, 662,
 &end
#
#    0 AMB  20-2:2902   117 LEU  MDY         4.00    (#   2902:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2902, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1583,1571,
 igr2=1840,1841,1842,1844,1845,1846,
 &end
#
#    0 AMB  20-2:2903     0 AMB  20-1:2903   6.00    (#   2903:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2903, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.66, r4=12.16,
 igr1=1809,1619,1424,
 igr2= 590, 591, 592, 594, 595, 596,1840,1841,1842,1844,
      1845,1846,1049,1050,1051,1053,1054,1055,
 &end
#
#   39 THR  HB           39 THR  MG2         3.00    (#   2904:20        Unique  2.26, 2.64 A)
 &rst
  ixpk= 2904, nxpk= 20, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 630, 631, 632,
 &end
#
#   41 GLU  HN           40 LEU  HA          3.00    (#   2905:20        Unique  2.25, 2.38 A)
 &rst
  ixpk= 2905, nxpk= 20, iat= 657, 640, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   40 LEU  MDY          40 LEU  HA          3.00    (#   2908:20        Unique  1.96, 3.81 A)
 &rst
  ixpk= 2908, nxpk= 20, iat=  -1, 640, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 647, 648, 649, 651, 652, 653,
 &end
#
#  113 ILE  QD1          40 LEU  HA          5.00    (#   2909:20        Unique  3.52, 5.41 A)
 &rst
  ixpk= 2909, nxpk= 20, iat=  -1, 640, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1779,1780,1781,
 &end
#
#   40 LEU  HB-          40 LEU  HA          3.00    (#   2910:20        Unique  2.57, 2.82 A)
 &rst
  ixpk= 2910, nxpk= 20, iat=  -1, 640, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 642, 643,
 &end
#
#   40 LEU  HG           40 LEU  HB+         3.00    (#   2911:20        Unique  2.22, 2.69 A)
 &rst
  ixpk= 2911, nxpk= 20, iat= 645,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 642, 643,
 &end
#
#   40 LEU  HG           40 LEU  HB-         3.00    (#   2912:20        Unique  2.22, 2.69 A)
 &rst
  ixpk= 2912, nxpk= 20, iat= 645,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 642, 643,
 &end
#
#    0 AMB  20-2:2913    40 LEU  MDX         6.00    (#   2913:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2913, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1714, 520,
 igr2= 647, 648, 649, 651, 652, 653,
 &end
#
#   40 LEU  HB+          40 LEU  HG          3.00    (#   2914:20        Unique  2.22, 2.69 A)
 &rst
  ixpk= 2914, nxpk= 20, iat=  -1, 645, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 642, 643,
 &end
#
#    0 AMB  20-2:2915    40 LEU  HG          3.00    (#   2915:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2915, nxpk= 20, iat=  -1, 645, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 647, 648, 649, 651, 652, 653,1776,1777,
 &end
#
#   40 LEU  MDX          40 LEU  HG          3.00    (#   2916:20        Unique  2.21, 2.63 A)
 &rst
  ixpk= 2916, nxpk= 20, iat=  -1, 645, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 647, 648, 649, 651, 652, 653,
 &end
#
#    0 AMB  20-2:2917    41 GLU  HA          3.00    (#   2917:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2917, nxpk= 20, iat=  -1, 659, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 657, 672,
 &end
#
#   40 LEU  HA           41 GLU  HA          5.00    (#   2920:20        Unique  4.32, 4.41 A)
 &rst
  ixpk= 2920, nxpk= 20, iat= 640, 659, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   41 GLU  HG+          41 GLU  HA          4.00    (#   2921:20        Unique  3.55, 3.75 A)
 &rst
  ixpk= 2921, nxpk= 20, iat=  -1, 659, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 664, 665,
 &end
#
#   41 GLU  HB+          41 GLU  HA          3.00    (#   2922:20        Unique  2.26, 2.45 A)
 &rst
  ixpk= 2922, nxpk= 20, iat=  -1, 659, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 661, 662,
 &end
#
#   41 GLU  HB-          41 GLU  HA          3.00    (#   2923:20        Unique  2.26, 2.45 A)
 &rst
  ixpk= 2923, nxpk= 20, iat=  -1, 659, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 661, 662,
 &end
#
#   41 GLU  HG+          41 GLU  HB-         3.00    (#   2924:20        Unique  2.21, 2.70 A)
 &rst
  ixpk= 2924, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 664, 665,
 igr2= 661, 662,
 &end
#
#   41 GLU  HG+          41 GLU  HB+         3.00    (#   2925:20        Unique  2.21, 2.70 A)
 &rst
  ixpk= 2925, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 664, 665,
 igr2= 661, 662,
 &end
#
#   42 PHE  HN           42 PHE  HA          3.00    (#   2926:20        Unique  2.55, 2.64 A)
 &rst
  ixpk= 2926, nxpk= 20, iat= 672, 674, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   44 PHE  HN           42 PHE  HA          3.50    (#   2927:20        Unique  2.76, 2.89 A)
 &rst
  ixpk= 2927, nxpk= 20, iat= 706, 674, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   42 PHE  HD           42 PHE  HA          4.00    (#   2928:20        Unique  1.95, 4.02 A)
 &rst
  ixpk= 2928, nxpk= 20, iat=  -1, 674, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 680, 688,
 &end
#
#   43 PRO  HA           42 PHE  HA          2.80    (#   2930:20        Unique  1.96, 2.05 A)
 &rst
  ixpk= 2930, nxpk= 20, iat= 702, 674, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   42 PHE  HB+          42 PHE  HA          3.00    (#   2932:20        Unique  2.26, 2.51 A)
 &rst
  ixpk= 2932, nxpk= 20, iat=  -1, 674, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 676, 677,
 &end
#
#   43 PRO  HA           42 PHE  HB-         4.00    (#   2933:20        Unique  2.60, 3.40 A)
 &rst
  ixpk= 2933, nxpk= 20, iat= 702,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 676, 677,
 &end
#
#   42 PHE  HN           42 PHE  HB+         4.00    (#   2934:20        Unique  2.15, 2.86 A)
 &rst
  ixpk= 2934, nxpk= 20, iat= 672,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 676, 677,
 &end
#
#   42 PHE  HN           42 PHE  HB-         3.50    (#   2935:20        Unique  2.15, 2.86 A)
 &rst
  ixpk= 2935, nxpk= 20, iat= 672,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 676, 677,
 &end
#
#   42 PHE  HD           43 PRO  HA          4.00    (#   2936:20        Unique  2.76, 4.47 A)
 &rst
  ixpk= 2936, nxpk= 20, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 680, 688,
 &end
#
#   66 LEU  HA           43 PRO  HA          4.00    (#   2937:20        Unique  3.03, 3.48 A)
 &rst
  ixpk= 2937, nxpk= 20, iat=1092, 702, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   44 PHE  HN           43 PRO  HB+         4.00    (#   2938:20        Unique  2.81, 3.29 A)
 &rst
  ixpk= 2938, nxpk= 20, iat= 706,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 699, 700,
 &end
#
#   66 LEU  MDX          43 PRO  HB-         3.00    (#   2939:20        Unique  3.05, 5.83 A)
 &rst
  ixpk= 2939, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1099,1100,1101,1103,1104,1105,
 igr2= 699, 700,
 &end
#
#   43 PRO  HB+          43 PRO  HG-         3.00    (#   2940:20        Unique  2.32, 2.58 A)
 &rst
  ixpk= 2940, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 699, 700,
 igr2= 696, 697,
 &end
#
#   43 PRO  HB-          43 PRO  HG-         3.00    (#   2941:20        Unique  2.32, 2.58 A)
 &rst
  ixpk= 2941, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 699, 700,
 igr2= 696, 697,
 &end
#
#   43 PRO  HB-          43 PRO  HG+         3.00    (#   2942:20        Unique  2.32, 2.58 A)
 &rst
  ixpk= 2942, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 699, 700,
 igr2= 696, 697,
 &end
#
#   66 LEU  MDX          43 PRO  HG+         6.00    (#   2943:20        Unique  4.76, 7.50 A)
 &rst
  ixpk= 2943, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1099,1100,1101,1103,1104,1105,
 igr2= 696, 697,
 &end
#
#   43 PRO  HA           43 PRO  HG+         4.50    (#   2944:20        Unique  3.85, 3.94 A)
 &rst
  ixpk= 2944, nxpk= 20, iat= 702,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 696, 697,
 &end
#
#   44 PHE  HN           44 PHE  HB-         4.00    (#   2945:20        Unique  3.06, 3.63 A)
 &rst
  ixpk= 2945, nxpk= 20, iat= 706,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 710, 711,
 &end
#
#   44 PHE  HD           44 PHE  HB-         4.00    (#   2946:20        Unique  2.35, 3.03 A)
 &rst
  ixpk= 2946, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 714, 722,
 igr2= 710, 711,
 &end
#
#   46 GLY  HA+          45 MET  HA          5.00    (#   2947:20        Unique  4.31, 4.38 A)
 &rst
  ixpk= 2947, nxpk= 20, iat=  -1, 728, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 745, 746,
 &end
#
#   64 GLU  HB-          45 MET  HA          5.00    (#   2948:20        Unique  3.19, 4.35 A)
 &rst
  ixpk= 2948, nxpk= 20, iat=  -1, 728, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1063,1064,
 &end
#
#    0 AMB  20-2:2950    45 MET  HA          6.00    (#   2950:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2950, nxpk= 20, iat=  -1, 728, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1035,1036,1037,1377,1378,
 &end
#
#    0 AMB  20-2:2951    45 MET  HB-         4.00    (#   2951:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2951, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1631, 760, 761,
 igr2= 730, 731,
 &end
#
#    0 AMB  20-2:2952    45 MET  HG-         6.00    (#   2952:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2952, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
 igr1=1035,1036,1037,1377,1378,
 igr2= 733, 734,
 &end
#
#   47 LYS  HB+          47 LYS  HA          3.00    (#   2953:20        Unique  2.73, 2.85 A)
 &rst
  ixpk= 2953, nxpk= 20, iat=  -1, 752, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 754, 755,
 &end
#
#   47 LYS  HE+          47 LYS  HG+         3.00    (#   2954:20        Unique  1.94, 3.14 A)
 &rst
  ixpk= 2954, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 763, 764,
 igr2= 757, 758,
 &end
#
#   60 GLU  HG+          47 LYS  HG-         4.50    (#   2955:20        Unique  2.48, 3.91 A)
 &rst
  ixpk= 2955, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 999,1000,
 igr2= 757, 758,
 &end
#
#    0 AMB  20-2:2956     0 AMB  20-1:2956   3.50    (#   2956:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2956, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 996, 997, 754, 755, 877, 878,
 igr2= 757, 758, 757, 758, 904, 905,
 &end
#
#   49 LYS  HB+          48 TRP  HA          5.00    (#   2958:20        Unique  4.82, 5.31 A)
 &rst
  ixpk= 2958, nxpk= 20, iat=  -1, 774, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 800, 801,
 &end
#
#    0 AMB  20-2:2959    48 TRP  HA          5.00    (#   2959:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2959, nxpk= 20, iat=  -1, 774, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=1589,1590,1591, 822, 823,
 &end
#
#   63 VAL  MGX          48 TRP  HA          5.50    (#   2960:20        Unique  4.27, 6.02 A)
 &rst
  ixpk= 2960, nxpk= 20, iat=  -1, 774, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1049,1050,1051,1053,1054,1055,
 &end
#
#   61 LYS  HB-          48 TRP  HB+         3.50    (#   2961:20        Unique  1.91, 2.86 A)
 &rst
  ixpk= 2961, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1011,1012,
 igr2= 776, 777,
 &end
#
#   61 LYS  HB+          48 TRP  HB+         4.00    (#   2962:20        Unique  1.91, 2.86 A)
 &rst
  ixpk= 2962, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1011,1012,
 igr2= 776, 777,
 &end
#
#  100 ILE  HG1-         48 TRP  HB+         4.50    (#   2963:20        Unique  2.45, 3.97 A)
 &rst
  ixpk= 2963, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1593,1594,
 igr2= 776, 777,
 &end
#
#  100 ILE  HG1-         48 TRP  HB-         5.00    (#   2964:20        Unique  2.45, 3.97 A)
 &rst
  ixpk= 2964, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1593,1594,
 igr2= 776, 777,
 &end
#
#   49 LYS  HB+          49 LYS  HA          3.00    (#   2965:20        Unique  2.30, 2.67 A)
 &rst
  ixpk= 2965, nxpk= 20, iat=  -1, 798, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 800, 801,
 &end
#
#   49 LYS  HG+          49 LYS  HB-         3.00    (#   2966:20        Unique  2.24, 2.58 A)
 &rst
  ixpk= 2966, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 803, 804,
 igr2= 800, 801,
 &end
#
#   49 LYS  HG-          49 LYS  HB-         3.00    (#   2967:20        Unique  2.24, 2.58 A)
 &rst
  ixpk= 2967, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 803, 804,
 igr2= 800, 801,
 &end
#
#   49 LYS  HG-          49 LYS  HB+         4.00    (#   2968:20        Unique  2.24, 2.58 A)
 &rst
  ixpk= 2968, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 803, 804,
 igr2= 800, 801,
 &end
#
#   58 ILE  HG1-         49 LYS  HB+         6.50    (#   2969:20        Unique  3.10, 5.22 A)
 &rst
  ixpk= 2969, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
 igr1= 968, 969,
 igr2= 800, 801,
 &end
#
#   58 ILE  QG2          49 LYS  HB-         5.00    (#   2970:20        Unique  1.96, 3.85 A)
 &rst
  ixpk= 2970, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 964, 965, 966,
 igr2= 800, 801,
 &end
#
#   50 LYS  HN           49 LYS  HB-         5.00    (#   2971:20        Unique  3.97, 4.17 A)
 &rst
  ixpk= 2971, nxpk= 20, iat= 818,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 800, 801,
 &end
#
#   50 LYS  HN           49 LYS  HB+         5.00    (#   2972:20        Unique  3.97, 4.17 A)
 &rst
  ixpk= 2972, nxpk= 20, iat= 818,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 800, 801,
 &end
#
#   48 TRP  HA           49 LYS  HB-         6.00    (#   2973:20        Unique  4.82, 5.31 A)
 &rst
  ixpk= 2973, nxpk= 20, iat= 774,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 800, 801,
 &end
#
#   99 ASP  HA           49 LYS  HB-         6.00    (#   2974:20        Unique  4.12, 5.40 A)
 &rst
  ixpk= 2974, nxpk= 20, iat=1573,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 800, 801,
 &end
#
#   50 LYS  HN           49 LYS  HG-         6.00    (#   2975:20        Unique  4.97, 5.58 A)
 &rst
  ixpk= 2975, nxpk= 20, iat= 818,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 803, 804,
 &end
#
#   50 LYS  HE+          50 LYS  HB-         5.00    (#   2976:20        Unique  2.24, 3.48 A)
 &rst
  ixpk= 2976, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 831, 832,
 igr2= 822, 823,
 &end
#
#   50 LYS  HN            0 AMB  20-1:2977   5.00    (#   2977:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2977, nxpk= 20, iat= 818,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 825, 826, 825, 826,
 &end
#
#   51 LYS  HN           50 LYS  HD+         5.50    (#   2978:20        Unique  4.15, 4.74 A)
 &rst
  ixpk= 2978, nxpk= 20, iat= 840,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 828, 829,
 &end
#
#   52 SER  HN           50 LYS  HD-         7.00    (#   2979:20        Unique  4.08, 5.74 A)
 &rst
  ixpk= 2979, nxpk= 20, iat= 862,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 828, 829,
 &end
#
#   48 TRP  HZ2          50 LYS  HE+         4.00    (#   2980:20        Unique  3.72, 4.90 A)
 &rst
  ixpk= 2980, nxpk= 20, iat= 785,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 831, 832,
 &end
#
#   51 LYS  HN           51 LYS  HB+         3.00    (#   2981:20        Unique  2.06, 2.88 A)
 &rst
  ixpk= 2981, nxpk= 20, iat= 840,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 844, 845,
 &end
#
#    0 AMB  20-2:2982     0 AMB  20-1:2982   6.00    (#   2982:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2982, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 937, 938, 820,
 igr2= 844, 845, 844, 845,
 &end
#
#   57 THR  HN           52 SER  HB+         7.00    (#   2983:20        Unique  2.61, 5.85 A)
 &rst
  ixpk= 2983, nxpk= 20, iat= 944,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 866, 867,
 &end
#
#   50 LYS  HG+          52 SER  HB+         7.00    (#   2985:20        Unique  3.22, 5.53 A)
 &rst
  ixpk= 2985, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 825, 826,
 igr2= 866, 867,
 &end
#
#   10 ARG  HE           10 ARG  HD-         3.50    (#   2986:20        Unique  2.28, 2.75 A)
 &rst
  ixpk= 2986, nxpk= 20, iat= 151,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 148, 149,
 &end
#
#  118 TYR  HE           10 ARG  HD+         4.20    (#   2987:20        Unique  2.80, 8.49 A)
 &rst
  ixpk= 2987, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1=1860,1865,
 igr2= 148, 149,
 &end
#
#   10 ARG  HB-          10 ARG  HD+         4.00    (#   2988:20        Unique  1.97, 3.12 A)
 &rst
  ixpk= 2988, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 142, 143,
 igr2= 148, 149,
 &end
#
#   10 ARG  HB+          10 ARG  HD+         4.00    (#   2989:20        Unique  1.97, 3.12 A)
 &rst
  ixpk= 2989, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 142, 143,
 igr2= 148, 149,
 &end
#
#   10 ARG  HG-          10 ARG  HD+         3.50    (#   2990:20        Unique  2.22, 2.67 A)
 &rst
  ixpk= 2990, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 145, 146,
 igr2= 148, 149,
 &end
#
#   10 ARG  HG+          10 ARG  HD+         3.50    (#   2991:20        Unique  2.22, 2.67 A)
 &rst
  ixpk= 2991, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 145, 146,
 igr2= 148, 149,
 &end
#
#   55 THR  HN           54 LYS  HA          4.50    (#   2993:20        Unique  2.50, 2.97 A)
 &rst
  ixpk= 2993, nxpk= 20, iat= 919, 899, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   54 LYS  HA           54 LYS  HB-         3.00    (#   2994:20        Unique  2.33, 2.74 A)
 &rst
  ixpk= 2994, nxpk= 20, iat= 899,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 901, 902,
 &end
#
#   56 SER  HN           56 SER  HA          3.50    (#   2995:20        Unique  2.28, 2.48 A)
 &rst
  ixpk= 2995, nxpk= 20, iat= 933, 935, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   51 LYS  HG+          56 SER  HA          4.20    (#   2997:20        Unique  1.97, 4.48 A)
 &rst
  ixpk= 2997, nxpk= 20, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 847, 848,
 &end
#
#   56 SER  HN           56 SER  HB-         4.50    (#   2998:20        Unique  2.33, 3.57 A)
 &rst
  ixpk= 2998, nxpk= 20, iat= 933,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 937, 938,
 &end
#
#   56 SER  HN           56 SER  HB+         4.50    (#   2999:20        Unique  2.33, 3.57 A)
 &rst
  ixpk= 2999, nxpk= 20, iat= 933,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 937, 938,
 &end
#
#   57 THR  HN           56 SER  HB-         5.50    (#   3000:20        Unique  2.15, 3.67 A)
 &rst
  ixpk= 3000, nxpk= 20, iat= 944,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 937, 938,
 &end
#
#   57 THR  HN           56 SER  HB+         5.50    (#   3001:20        Unique  2.15, 3.67 A)
 &rst
  ixpk= 3001, nxpk= 20, iat= 944,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 937, 938,
 &end
#
#   55 THR  HN           55 THR  HA          4.50    (#   3002:20        Unique  2.72, 2.84 A)
 &rst
  ixpk= 3002, nxpk= 20, iat= 919, 921, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   56 SER  HN           55 THR  HA          5.00    (#   3003:20        Unique  2.14, 3.11 A)
 &rst
  ixpk= 3003, nxpk= 20, iat= 933, 921, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   87 GLY  HA-          88 LYS  HD+         5.50    (#   3004:20        Unique  3.54, 4.79 A)
 &rst
  ixpk= 3004, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1395,1396,
 igr2=1410,1411,
 &end
#
#   57 THR  HN           57 THR  HA          5.00    (#   3005:20        Unique  2.30, 2.78 A)
 &rst
  ixpk= 3005, nxpk= 20, iat= 944, 946, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   51 LYS  HG+          57 THR  HA          7.00    (#   3006:20        Unique  5.44, 6.93 A)
 &rst
  ixpk= 3006, nxpk= 20, iat=  -1, 946, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 847, 848,
 &end
#
#    0 AMB  20-2:3007    57 THR  HB          6.00    (#   3007:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3007, nxpk= 20, iat=  -1, 948, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 962, 981, 982, 844, 845,
 &end
#
#    0 AMB  20-2:3008    55 THR  MG2         6.00    (#   3008:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3008, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 921, 864,
 igr2= 925, 926, 927,
 &end
#
#   58 ILE  HA           58 ILE  QD1         4.00    (#   3009:20        Unique  2.17, 3.37 A)
 &rst
  ixpk= 3009, nxpk= 20, iat= 960,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 971, 972, 973,
 &end
#
#   51 LYS  HA           58 ILE  QD1         3.00    (#   3010:20        Unique  2.01, 4.13 A)
 &rst
  ixpk= 3010, nxpk= 20, iat= 842,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 971, 972, 973,
 &end
#
#   51 LYS  HB-          58 ILE  QD1         5.50    (#   3011:20        Unique  2.01, 5.49 A)
 &rst
  ixpk= 3011, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 844, 845,
 igr2= 971, 972, 973,
 &end
#
#   58 ILE  HG1-         58 ILE  QD1         3.00    (#   3012:20        Unique  2.21, 2.62 A)
 &rst
  ixpk= 3012, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 968, 969,
 igr2= 971, 972, 973,
 &end
#
#   58 ILE  HB           58 ILE  QG2         3.00    (#   3013:20        Unique  2.26, 2.63 A)
 &rst
  ixpk= 3013, nxpk= 20, iat= 962,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 964, 965, 966,
 &end
#
#   49 LYS  HB-          58 ILE  QG2         3.00    (#   3014:20        Unique  1.96, 3.85 A)
 &rst
  ixpk= 3014, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 800, 801,
 igr2= 964, 965, 966,
 &end
#
#   60 GLU  HG+          60 GLU  HA          3.20    (#   3015:20        Unique  2.40, 2.73 A)
 &rst
  ixpk= 3015, nxpk= 20, iat=  -1, 994, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr1= 999,1000,
 &end
#
#   47 LYS  HG-          60 GLU  HA          5.00    (#   3016:20        Unique  3.05, 4.30 A)
 &rst
  ixpk= 3016, nxpk= 20, iat=  -1, 994, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 757, 758,
 &end
#
#   47 LYS  HG+          60 GLU  HG+         4.00    (#   3017:20        Unique  2.48, 3.91 A)
 &rst
  ixpk= 3017, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 757, 758,
 igr2= 999,1000,
 &end
#
#   47 LYS  HG+          60 GLU  HG-         4.00    (#   3018:20        Unique  2.48, 3.91 A)
 &rst
  ixpk= 3018, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 757, 758,
 igr2= 999,1000,
 &end
#
#   58 ILE  QG2          60 GLU  HG+         5.00    (#   3019:20        Unique  2.41, 3.88 A)
 &rst
  ixpk= 3019, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 964, 965, 966,
 igr2= 999,1000,
 &end
#
#   61 LYS  HD+          61 LYS  HB+         4.00    (#   3020:20        Unique  2.34, 3.34 A)
 &rst
  ixpk= 3020, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1017,1018,
 igr2=1011,1012,
 &end
#
#   61 LYS  HN           61 LYS  HG+         4.80    (#   3021:20        Unique  4.15, 4.42 A)
 &rst
  ixpk= 3021, nxpk= 20, iat=1007,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1014,1015,
 &end
#
#   48 TRP  HB+          61 LYS  HG-         6.00    (#   3022:20        Unique  4.21, 5.13 A)
 &rst
  ixpk= 3022, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 776, 777,
 igr2=1014,1015,
 &end
#
#   63 VAL  MGY           0 AMB  20-1:3024   5.00    (#   3024:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3024, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1049,1050,1051,1053,1054,1055,
 igr2=1014,1015,1014,1015,
 &end
#
#   47 LYS  HD+          62 THR  HA          3.50    (#   3026:20        Unique  2.22, 2.87 A)
 &rst
  ixpk= 3026, nxpk= 20, iat=  -1,1031, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 760, 761,
 &end
#
#   63 VAL  MGY          62 THR  HA          5.00    (#   3027:20        Unique  3.50, 4.92 A)
 &rst
  ixpk= 3027, nxpk= 20, iat=  -1,1031, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1049,1050,1051,1053,1054,1055,
 &end
#
#    0 AMB  20-2:3028    62 THR  HB          5.00    (#   3028:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3028, nxpk= 20, iat=  -1,1033, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1371,1011,1012,
 &end
#
#   78 MET  HA           74 CYS  HA          5.00    (#   3029:20        Unique  3.88, 4.15 A)
 &rst
  ixpk= 3029, nxpk= 20, iat=1262,1198, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   85 ILE  HN           63 VAL  HA          2.80    (#   3030:20        Unique  1.95, 2.11 A)
 &rst
  ixpk= 3030, nxpk= 20, iat=1367,1045, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   64 GLU  HN           63 VAL  HA          3.00    (#   3031:20        Unique  2.33, 2.47 A)
 &rst
  ixpk= 3031, nxpk= 20, iat=1059,1045, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   63 VAL  HN           63 VAL  HA          3.50    (#   3032:20        Unique  2.91, 2.93 A)
 &rst
  ixpk= 3032, nxpk= 20, iat=1043,1045, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   82 VAL  HB           63 VAL  HA          7.00    (#   3033:20        Unique  3.71, 5.27 A)
 &rst
  ixpk= 3033, nxpk= 20, iat=1333,1045, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   85 ILE  HG1-         63 VAL  HA          3.50    (#   3034:20        Unique  1.94, 2.84 A)
 &rst
  ixpk= 3034, nxpk= 20, iat=  -1,1045, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1377,1378,
 &end
#
#   85 ILE  HG1+         63 VAL  HA          3.50    (#   3035:20        Unique  1.94, 2.84 A)
 &rst
  ixpk= 3035, nxpk= 20, iat=  -1,1045, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1377,1378,
 &end
#
#   63 VAL  MGY          63 VAL  HA          3.50    (#   3036:20        Unique  1.97, 3.45 A)
 &rst
  ixpk= 3036, nxpk= 20, iat=  -1,1045, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1049,1050,1051,1053,1054,1055,
 &end
#
#   63 VAL  MGX          63 VAL  HA          3.00    (#   3037:20        Unique  1.97, 3.45 A)
 &rst
  ixpk= 3037, nxpk= 20, iat=  -1,1045, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1049,1050,1051,1053,1054,1055,
 &end
#
#   82 VAL  MGX          63 VAL  HA          5.00    (#   3038:20        Unique  3.79, 5.32 A)
 &rst
  ixpk= 3038, nxpk= 20, iat=  -1,1045, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1335,1336,1337,1339,1340,1341,
 &end
#
#   63 VAL  HN           63 VAL  HB          5.00    (#   3039:20        Unique  3.41, 3.81 A)
 &rst
  ixpk= 3039, nxpk= 20, iat=1043,1047, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   66 LEU  MDX          64 GLU  HG+         3.00    (#   3040:20        Unique  2.49, 5.21 A)
 &rst
  ixpk= 3040, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1099,1100,1101,1103,1104,1105,
 igr2=1066,1067,
 &end
#
#    0 AMB  20-2:3041     0 AMB  20-1:3041   3.00    (#   3041:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3041, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 776, 777,1811,1812,
 igr2=1049,1050,1051,1053,1054,1055, 590, 591, 592, 594,
       595, 596,
 &end
#
#   84 ASP  HB+          63 VAL  MGY         6.50    (#   3042:20        Unique  3.16, 6.20 A)
 &rst
  ixpk= 3042, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.84, r4=10.34,
 igr1=1359,1360,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#   63 VAL  HB           63 VAL  MGY         3.00    (#   3043:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 3043, nxpk= 20, iat=1047,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#    0 AMB  20-2:3044   101 GLU  HB-         6.00    (#   3044:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3044, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1=1840,1841,1842,1844,1845,1846,1633,1634,1635,
 igr2=1606,1607,
 &end
#
#   65 VAL  HN           64 GLU  HG+         5.00    (#   3045:20        Unique  2.49, 3.50 A)
 &rst
  ixpk= 3045, nxpk= 20, iat=1074,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1066,1067,
 &end
#
#   65 VAL  HN           64 GLU  HG-         4.00    (#   3046:20        Unique  2.49, 3.50 A)
 &rst
  ixpk= 3046, nxpk= 20, iat=1074,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1066,1067,
 &end
#
#   66 LEU  HB-          65 VAL  HA          6.00    (#   3047:20        Unique  4.23, 5.00 A)
 &rst
  ixpk= 3047, nxpk= 20, iat=  -1,1076, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1094,1095,
 &end
#
#    0 AMB  20-2:3049    65 VAL  HA          5.00    (#   3049:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3049, nxpk= 20, iat=  -1,1076, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1464,1465,1466,1468,1469,1470,1464,1465,1466,1468,
      1469,1470,
 &end
#
#   82 VAL  HA           65 VAL  HA          3.00    (#   3050:20        Unique  2.01, 2.51 A)
 &rst
  ixpk= 3050, nxpk= 20, iat=1331,1076, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   67 GLY  HN           65 VAL  HA          4.50    (#   3051:20        Unique  3.37, 3.59 A)
 &rst
  ixpk= 3051, nxpk= 20, iat=1109,1076, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   65 VAL  HN           65 VAL  HA          3.50    (#   3052:20        Unique  2.83, 2.85 A)
 &rst
  ixpk= 3052, nxpk= 20, iat=1074,1076, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   66 LEU  HN           65 VAL  HA          2.80    (#   3053:20        Unique  2.14, 2.18 A)
 &rst
  ixpk= 3053, nxpk= 20, iat=1090,1076, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  20-2:3054    65 VAL  HA          4.00    (#   3054:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3054, nxpk= 20, iat=  -1,1076, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1345,1059,
 &end
#
#    0 AMB  20-2:3055    65 VAL  HB          5.20    (#   3055:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3055, nxpk= 20, iat=  -1,1078, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1= 714, 722, 680, 688,
 &end
#
#   65 VAL  MGY          65 VAL  HB          3.00    (#   3056:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 3056, nxpk= 20, iat=  -1,1078, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1080,1081,1082,1084,1085,1086,
 &end
#
#   75 LEU  HN           75 LEU  HA          3.00    (#   3057:20        Unique  2.28, 2.87 A)
 &rst
  ixpk= 3057, nxpk= 20, iat=1207,1209, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   42 PHE  HB-          66 LEU  HA          6.00    (#   3058:20        Unique  4.59, 5.86 A)
 &rst
  ixpk= 3058, nxpk= 20, iat=  -1,1092, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 676, 677,
 &end
#
#   42 PHE  HB+          66 LEU  HA          5.00    (#   3059:20        Unique  4.59, 5.86 A)
 &rst
  ixpk= 3059, nxpk= 20, iat=  -1,1092, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 676, 677,
 &end
#
#   67 GLY  HN           66 LEU  HB-         4.00    (#   3060:20        Unique  3.17, 3.71 A)
 &rst
  ixpk= 3060, nxpk= 20, iat=1109,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1094,1095,
 &end
#
#    0 AMB  20-2:3061     0 AMB  20-1:3061   7.50    (#   3061:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3061, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.64, r4=12.14,
 igr1=1474,1509,
 igr2=1099,1100,1101,1103,1104,1105,1097,
 &end
#
#   67 GLY  HN           66 LEU  MDX         5.00    (#   3063:20        Unique  4.42, 5.64 A)
 &rst
  ixpk= 3063, nxpk= 20, iat=1109,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1099,1100,1101,1103,1104,1105,
 &end
#
#   65 VAL  HA           66 LEU  MDX         5.00    (#   3065:20        Unique  3.13, 5.12 A)
 &rst
  ixpk= 3065, nxpk= 20, iat=1076,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1099,1100,1101,1103,1104,1105,
 &end
#
#    0 AMB  20-2:3066    66 LEU  MDX         3.00    (#   3066:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3066, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=1066,1067,1063,1064,
 igr2=1099,1100,1101,1103,1104,1105,
 &end
#
#   44 PHE  HD           67 GLY  HA+         6.00    (#   3067:20        Unique  4.77, 7.73 A)
 &rst
  ixpk= 3067, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 714, 722,
 igr2=1111,1112,
 &end
#
#   69 ALA  HN           68 MET  HB+         4.00    (#   3068:20        Unique  1.87, 3.46 A)
 &rst
  ixpk= 3068, nxpk= 20, iat=1133,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1120,1121,
 &end
#
#   69 ALA  HN           68 MET  HB-         4.00    (#   3069:20        Unique  1.87, 3.46 A)
 &rst
  ixpk= 3069, nxpk= 20, iat=1133,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1120,1121,
 &end
#
#   37 ASP  HA           68 MET  ME          6.00    (#   3070:20        Unique  3.45, 5.94 A)
 &rst
  ixpk= 3070, nxpk= 20, iat= 602,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1127,1128,1129,
 &end
#
#   69 ALA  MB           69 ALA  HA          3.00    (#   3071:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 3071, nxpk= 20, iat=  -1,1135, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1137,1138,1139,
 &end
#
#    0 AMB  20-2:3072    70 PRO  HA          5.00    (#   3072:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3072, nxpk= 20, iat=  -1,1153, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1169,1133,
 &end
#
#   70 PRO  HD-          70 PRO  HA          4.50    (#   3073:20        Unique  3.60, 3.85 A)
 &rst
  ixpk= 3073, nxpk= 20, iat=  -1,1153, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1144,1145,
 &end
#
#   70 PRO  HD-          70 PRO  HB-         4.50    (#   3074:20        Unique  2.98, 3.70 A)
 &rst
  ixpk= 3074, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1144,1145,
 igr2=1150,1151,
 &end
#
#   70 PRO  HD-          70 PRO  HB+         4.50    (#   3075:20        Unique  2.98, 3.70 A)
 &rst
  ixpk= 3075, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1144,1145,
 igr2=1150,1151,
 &end
#
#   70 PRO  HD+          70 PRO  HB+         4.50    (#   3076:20        Unique  2.98, 3.70 A)
 &rst
  ixpk= 3076, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1144,1145,
 igr2=1150,1151,
 &end
#
#   70 PRO  HD+          70 PRO  HB-         4.50    (#   3077:20        Unique  2.98, 3.70 A)
 &rst
  ixpk= 3077, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1144,1145,
 igr2=1150,1151,
 &end
#
#   70 PRO  HB-          70 PRO  HD-         4.00    (#   3079:20        Unique  2.98, 3.70 A)
 &rst
  ixpk= 3079, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1150,1151,
 igr2=1144,1145,
 &end
#
#   70 PRO  HB-          70 PRO  HD+         4.00    (#   3080:20        Unique  2.98, 3.70 A)
 &rst
  ixpk= 3080, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1150,1151,
 igr2=1144,1145,
 &end
#
#    0 AMB  20-2:3081    70 PRO  HD-         3.00    (#   3081:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3081, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1188,1189,1147,1148,
 igr2=1144,1145,
 &end
#
#    0 AMB  20-2:3082    70 PRO  HD-         3.00    (#   3082:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3082, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1147,1148,1185,1186,
 igr2=1144,1145,
 &end
#
#   33 TYR  HE           71 ASP  HA          4.00    (#   3083:20        Unique  2.61, 6.11 A)
 &rst
  ixpk= 3083, nxpk= 20, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 528, 533,
 &end
#
#    0 AMB  20-2:3084    71 ASP  HB-         5.00    (#   3084:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3084, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 549, 554, 528, 533,
 igr2=1161,1162,
 &end
#
#    0 AMB  20-2:3085     0 AMB  20-1:3085   5.00    (#   3085:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3085, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1= 549, 554, 528, 533,
 igr2=1161,1162,1161,1162,
 &end
#
#   72 ASP  HN           71 ASP  HB+         4.50    (#   3086:20        Unique  3.08, 3.95 A)
 &rst
  ixpk= 3086, nxpk= 20, iat=1169,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1161,1162,
 &end
#
#   72 ASP  HN           71 ASP  HB-         4.50    (#   3087:20        Unique  3.08, 3.95 A)
 &rst
  ixpk= 3087, nxpk= 20, iat=1169,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1161,1162,
 &end
#
#   72 ASP  HA           72 ASP  HB+         3.00    (#   3088:20        Unique  2.30, 2.67 A)
 &rst
  ixpk= 3088, nxpk= 20, iat=1171,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1173,1174,
 &end
#
#   72 ASP  HA           72 ASP  HB-         3.00    (#   3089:20        Unique  2.30, 2.67 A)
 &rst
  ixpk= 3089, nxpk= 20, iat=1171,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1173,1174,
 &end
#
#   72 ASP  HN           72 ASP  HB+         4.00    (#   3090:20        Unique  2.56, 3.20 A)
 &rst
  ixpk= 3090, nxpk= 20, iat=1169,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1173,1174,
 &end
#
#   72 ASP  HN           72 ASP  HB-         4.00    (#   3091:20        Unique  2.56, 3.20 A)
 &rst
  ixpk= 3091, nxpk= 20, iat=1169,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1173,1174,
 &end
#
#   74 CYS  HN           73 GLU  HA          4.00    (#   3092:20        Unique  3.52, 3.56 A)
 &rst
  ixpk= 3092, nxpk= 20, iat=1196,1183, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   75 LEU  HN           73 GLU  HA          5.00    (#   3093:20        Unique  4.28, 4.65 A)
 &rst
  ixpk= 3093, nxpk= 20, iat=1207,1183, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   88 LYS  HB+          88 LYS  HA          3.50    (#   3094:20        Unique  2.28, 2.65 A)
 &rst
  ixpk= 3094, nxpk= 20, iat=  -1,1402, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1404,1405,
 &end
#
#   33 TYR  HD           74 CYS  HB-         5.50    (#   3097:20        Unique  2.51, 4.70 A)
 &rst
  ixpk= 3097, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 526, 535,
 igr2=1200,1201,
 &end
#
#   76 LYS  HN           75 LEU  HA          4.00    (#   3098:20        Unique  3.03, 3.24 A)
 &rst
  ixpk= 3098, nxpk= 20, iat=1226,1209, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   30 MET  ME           75 LEU  HA          3.00    (#   3099:20        Unique  1.94, 3.29 A)
 &rst
  ixpk= 3099, nxpk= 20, iat=  -1,1209, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 481, 482, 483,
 &end
#
#    0 AMB  20-2:3100     0 AMB  20-1:3100   3.00    (#   3100:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3100, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1233,1234,1637,1638,
 igr2=1230,1231, 754, 755,
 &end
#
#   78 MET  HN           78 MET  HA          3.50    (#   3102:20        Unique  2.84, 2.88 A)
 &rst
  ixpk= 3102, nxpk= 20, iat=1260,1262, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   74 CYS  HB+          78 MET  HA          5.00    (#   3103:20        Unique  3.02, 4.15 A)
 &rst
  ixpk= 3103, nxpk= 20, iat=  -1,1262, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1200,1201,
 &end
#
#   68 MET  ME           78 MET  HA          4.50    (#   3104:20        Unique  2.34, 3.79 A)
 &rst
  ixpk= 3104, nxpk= 20, iat=  -1,1262, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1127,1128,1129,
 &end
#
#    0 AMB  20-2:3105    78 MET  HA          4.00    (#   3105:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3105, nxpk= 20, iat=  -1,1262, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1267,1268,1550,1551,1552,1554,1555,1556,
 &end
#
#   78 MET  HA           78 MET  HB+         4.00    (#   3107:20        Unique  2.23, 2.71 A)
 &rst
  ixpk= 3107, nxpk= 20, iat=1262,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1264,1265,
 &end
#
#   78 MET  HN           78 MET  HB+         4.00    (#   3108:20        Unique  2.28, 3.10 A)
 &rst
  ixpk= 3108, nxpk= 20, iat=1260,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1264,1265,
 &end
#
#   78 MET  HN           78 MET  HB-         4.00    (#   3109:20        Unique  2.28, 3.10 A)
 &rst
  ixpk= 3109, nxpk= 20, iat=1260,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1264,1265,
 &end
#
#   78 MET  ME           78 MET  HG+         4.00    (#   3110:20        Unique  2.17, 3.61 A)
 &rst
  ixpk= 3110, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1271,1272,1273,
 igr2=1267,1268,
 &end
#
#   78 MET  ME           78 MET  HG-         4.00    (#   3111:20        Unique  2.17, 3.61 A)
 &rst
  ixpk= 3111, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1271,1272,1273,
 igr2=1267,1268,
 &end
#
#   78 MET  HA           78 MET  HG+         4.00    (#   3112:20        Unique  2.79, 3.50 A)
 &rst
  ixpk= 3112, nxpk= 20, iat=1262,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1267,1268,
 &end
#
#   78 MET  HA           78 MET  HG-         4.00    (#   3113:20        Unique  2.79, 3.50 A)
 &rst
  ixpk= 3113, nxpk= 20, iat=1262,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1267,1268,
 &end
#
#   78 MET  HN           78 MET  HG-         3.50    (#   3114:20        Unique  1.95, 3.05 A)
 &rst
  ixpk= 3114, nxpk= 20, iat=1260,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1267,1268,
 &end
#
#   78 MET  HN           78 MET  HG+         3.50    (#   3115:20        Unique  1.95, 3.05 A)
 &rst
  ixpk= 3115, nxpk= 20, iat=1260,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1267,1268,
 &end
#
#   95 ALA  HN           79 TYR  HA          6.00    (#   3117:20        Unique  3.67, 4.17 A)
 &rst
  ixpk= 3117, nxpk= 20, iat=1509,1279, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   97 LEU  HB+          79 TYR  HA          5.00    (#   3119:20        Unique  2.07, 3.91 A)
 &rst
  ixpk= 3119, nxpk= 20, iat=  -1,1279, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1545,1546,
 &end
#
#    0 AMB  20-2:3120    79 TYR  HA          5.00    (#   3120:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3120, nxpk= 20, iat=  -1,1279, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1523,1524,1127,1128,1129,1548,1529,1530,
 &end
#
#   69 ALA  MB           79 TYR  HB+         4.00    (#   3121:20        Unique  2.18, 4.84 A)
 &rst
  ixpk= 3121, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1137,1138,1139,
 igr2=1281,1282,
 &end
#
#   69 ALA  MB           79 TYR  HB-         3.00    (#   3122:20        Unique  2.18, 4.84 A)
 &rst
  ixpk= 3122, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1137,1138,1139,
 igr2=1281,1282,
 &end
#
#   80 VAL  HN           80 VAL  HA          3.50    (#   3123:20        Unique  2.90, 2.91 A)
 &rst
  ixpk= 3123, nxpk= 20, iat=1298,1300, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   69 ALA  MB           80 VAL  HA          4.00    (#   3125:20        Unique  3.07, 4.81 A)
 &rst
  ixpk= 3125, nxpk= 20, iat=  -1,1300, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1137,1138,1139,
 &end
#
#   68 MET  HB+          80 VAL  HA          5.00    (#   3126:20        Unique  2.67, 4.00 A)
 &rst
  ixpk= 3126, nxpk= 20, iat=  -1,1300, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1120,1121,
 &end
#
#   80 VAL  MGY          80 VAL  HB          3.00    (#   3127:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 3127, nxpk= 20, iat=  -1,1302, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1304,1305,1306,1308,1309,1310,
 &end
#
#   82 VAL  HN           80 VAL  MGX         5.50    (#   3128:20        Unique  3.70, 6.03 A)
 &rst
  ixpk= 3128, nxpk= 20, iat=1329,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1304,1305,1306,1308,1309,1310,
 &end
#
#   67 GLY  HN           80 VAL  MGX         5.50    (#   3129:20        Unique  3.36, 4.96 A)
 &rst
  ixpk= 3129, nxpk= 20, iat=1109,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1304,1305,1306,1308,1309,1310,
 &end
#
#    0 AMB  20-2:3130    80 VAL  MGX         5.00    (#   3130:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3130, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1285,1294, 791,
 igr2=1304,1305,1306,1308,1309,1310,
 &end
#
#    0 AMB  20-2:3131    81 GLU  HA          6.50    (#   3131:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3131, nxpk= 20, iat=  -1,1316, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr1=1509,1474,
 &end
#
#    0 AMB  20-2:3132    81 GLU  HA          5.00    (#   3132:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3132, nxpk= 20, iat=  -1,1316, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1335,1336,1337,1339,1340,1341,1080,1081,1082,1084,
      1085,1086,
 &end
#
#   82 VAL  MGX          81 GLU  HA          5.00    (#   3133:20        Unique  3.87, 5.51 A)
 &rst
  ixpk= 3133, nxpk= 20, iat=  -1,1316, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1335,1336,1337,1339,1340,1341,
 &end
#
#   67 GLY  HN           81 GLU  HB+         5.50    (#   3134:20        Unique  3.74, 4.91 A)
 &rst
  ixpk= 3134, nxpk= 20, iat=1109,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1318,1319,
 &end
#
#   67 GLY  HN           81 GLU  HB-         5.50    (#   3135:20        Unique  3.74, 4.91 A)
 &rst
  ixpk= 3135, nxpk= 20, iat=1109,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1318,1319,
 &end
#
#   82 VAL  HN           81 GLU  HB+         5.00    (#   3136:20        Unique  3.60, 4.13 A)
 &rst
  ixpk= 3136, nxpk= 20, iat=1329,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1318,1319,
 &end
#
#   70 PRO  HD-          81 GLU  HG-         5.50    (#   3138:20        Unique  3.64, 4.92 A)
 &rst
  ixpk= 3138, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1144,1145,
 igr2=1321,1322,
 &end
#
#   63 VAL  HB           82 VAL  HB          4.70    (#   3139:20        Unique  1.84, 3.05 A)
 &rst
  ixpk= 3139, nxpk= 20, iat=1047,1333, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#   67 GLY  HN           82 VAL  MGX         7.00    (#   3140:20        Unique  4.19, 7.09 A)
 &rst
  ixpk= 3140, nxpk= 20, iat=1109,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#   64 GLU  HA           82 VAL  MGX         6.00    (#   3142:20        Unique  3.22, 5.49 A)
 &rst
  ixpk= 3142, nxpk= 20, iat=1061,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#   82 VAL  MGX          83 ALA  HA          4.00    (#   3143:20        Unique  3.27, 5.19 A)
 &rst
  ixpk= 3143, nxpk= 20, iat=  -1,1347, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1335,1336,1337,1339,1340,1341,
 &end
#
#   93 TYR  HD           83 ALA  HA          7.00    (#   3144:20        Unique  3.52, 5.40 A)
 &rst
  ixpk= 3144, nxpk= 20, iat=  -1,1347, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1482,1491,
 &end
#
#   93 TYR  HE           83 ALA  HA          7.00    (#   3146:20        Unique  3.52, 5.44 A)
 &rst
  ixpk= 3146, nxpk= 20, iat=  -1,1347, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1484,1489,
 &end
#
#   87 GLY  HN           85 ILE  HA          5.20    (#   3147:20        Unique  4.34, 4.42 A)
 &rst
  ixpk= 3147, nxpk= 20, iat=1393,1369, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   85 ILE  HN           85 ILE  QD1         5.00    (#   3148:20        Unique  4.04, 4.36 A)
 &rst
  ixpk= 3148, nxpk= 20, iat=1367,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1380,1381,1382,
 &end
#
#    0 AMB  20-2:3149    85 ILE  QD1         4.00    (#   3149:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3149, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1059,1029,1345,
 igr2=1380,1381,1382,
 &end
#
#   63 VAL  HN           85 ILE  QD1         5.00    (#   3150:20        Unique  2.90, 4.44 A)
 &rst
  ixpk= 3150, nxpk= 20, iat=1043,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1380,1381,1382,
 &end
#
#   84 ASP  HA           85 ILE  QD1         6.00    (#   3151:20        Unique  5.87, 6.35 A)
 &rst
  ixpk= 3151, nxpk= 20, iat=1357,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1380,1381,1382,
 &end
#
#   64 GLU  HA           85 ILE  QD1         5.50    (#   3152:20        Unique  3.86, 4.74 A)
 &rst
  ixpk= 3152, nxpk= 20, iat=1061,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1380,1381,1382,
 &end
#
#    0 AMB  20-2:3154    85 ILE  QD1         7.00    (#   3154:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3154, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1=1650,1651,1359,1360,
 igr2=1380,1381,1382,
 &end
#
#   45 MET  HB-          85 ILE  QD1         4.00    (#   3155:20        Unique  2.25, 3.83 A)
 &rst
  ixpk= 3155, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 730, 731,
 igr2=1380,1381,1382,
 &end
#
#    0 AMB  20-2:3158    85 ILE  QG2         4.50    (#   3158:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3158, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1066,1067,1047, 737, 738, 739,
 igr2=1373,1374,1375,
 &end
#
#   85 ILE  HG1-         86 GLY  HA+         6.50    (#   3159:20        Unique  4.07, 5.18 A)
 &rst
  ixpk= 3159, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
 igr1=1377,1378,
 igr2=1388,1389,
 &end
#
#    0 AMB  20-2:3160    87 GLY  HA-         5.00    (#   3160:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3160, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1422,1367,
 igr2=1395,1396,
 &end
#
#    0 AMB  20-2:3161     0 AMB  20-1:3161   6.00    (#   3161:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3161, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1=1404,1405,1011,1012,
 igr2=1395,1396,1395,1396,
 &end
#
#   88 LYS  HG+          87 GLY  HA+         5.00    (#   3162:20        Unique  3.13, 4.65 A)
 &rst
  ixpk= 3162, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1407,1408,
 igr2=1395,1396,
 &end
#
#   88 LYS  HN           88 LYS  HB+         4.00    (#   3163:20        Unique  2.76, 3.30 A)
 &rst
  ixpk= 3163, nxpk= 20, iat=1400,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1404,1405,
 &end
#
#  103 ILE  QD1          47 LYS  HG+         4.50    (#   3164:20        Unique  2.18, 4.28 A)
 &rst
  ixpk= 3164, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1640,1641,1642,
 igr2= 757, 758,
 &end
#
#   88 LYS  HE+          88 LYS  HD+         3.50    (#   3165:20        Unique  2.23, 2.72 A)
 &rst
  ixpk= 3165, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1413,1414,
 igr2=1410,1411,
 &end
#
#   91 ASP  HN           91 ASP  HA          3.00    (#   3166:20        Unique  2.87, 2.90 A)
 &rst
  ixpk= 3166, nxpk= 20, iat=1446,1448, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:3167    91 ASP  HA          5.00    (#   3167:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3167, nxpk= 20, iat=  -1,1448, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1404,1405,1462,
 &end
#
#    0 AMB  20-2:3168    91 ASP  HA          4.00    (#   3168:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3168, nxpk= 20, iat=  -1,1448, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1464,1465,1466,1468,1469,1470,1464,1465,1466,1468,
      1469,1470,
 &end
#
#   82 VAL  HN           92 VAL  HB          5.50    (#   3169:20        Unique  4.70, 5.02 A)
 &rst
  ixpk= 3169, nxpk= 20, iat=1329,1462, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   92 VAL  HN           92 VAL  MGY         4.00    (#   3170:20        Unique  2.20, 3.71 A)
 &rst
  ixpk= 3170, nxpk= 20, iat=1458,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1464,1465,1466,1468,1469,1470,
 &end
#
#   93 TYR  HB-          92 VAL  MGY         7.00    (#   3171:20        Unique  4.83, 7.03 A)
 &rst
  ixpk= 3171, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1=1478,1479,
 igr2=1464,1465,1466,1468,1469,1470,
 &end
#
#   92 VAL  HB           92 VAL  MGY         3.00    (#   3172:20        Unique  2.30, 2.63 A)
 &rst
  ixpk= 3172, nxpk= 20, iat=1462,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1464,1465,1466,1468,1469,1470,
 &end
#
#   93 TYR  HN           93 TYR  HB-         6.00    (#   3173:20        Unique  2.82, 3.38 A)
 &rst
  ixpk= 3173, nxpk= 20, iat=1474,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1478,1479,
 &end
#
#   82 VAL  MGX          94 THR  HA          5.00    (#   3174:20        Unique  3.99, 5.87 A)
 &rst
  ixpk= 3174, nxpk= 20, iat=  -1,1497, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1335,1336,1337,1339,1340,1341,
 &end
#
#    0 AMB  20-2:3177    94 THR  HB          4.00    (#   3177:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3177, nxpk= 20, iat=  -1,1499, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1281,1282,1281,1282,
 &end
#
#   79 TYR  HD           94 THR  HB          5.50    (#   3178:20        Unique  2.05, 4.45 A)
 &rst
  ixpk= 3178, nxpk= 20, iat=  -1,1499, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1285,1294,
 &end
#
#   96 LYS  HA           95 ALA  MB          6.50    (#   3179:20        Unique  3.95, 4.65 A)
 &rst
  ixpk= 3179, nxpk= 20, iat=1521,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr2=1513,1514,1515,
 &end
#
#   96 LYS  HG-          96 LYS  HB+         3.50    (#   3185:20        Unique  2.24, 2.56 A)
 &rst
  ixpk= 3185, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1526,1527,
 igr2=1523,1524,
 &end
#
#   96 LYS  HB+          96 LYS  HG+         3.50    (#   3187:20        Unique  2.24, 2.56 A)
 &rst
  ixpk= 3187, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1523,1524,
 igr2=1526,1527,
 &end
#
#   96 LYS  HB+          96 LYS  HG-         3.50    (#   3188:20        Unique  2.24, 2.56 A)
 &rst
  ixpk= 3188, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1523,1524,
 igr2=1526,1527,
 &end
#
#    0 AMB  20-2:3189    97 LEU  HA          5.00    (#   3189:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3189, nxpk= 20, iat=  -1,1543, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=1593,1594,1760,1761,1762,
 &end
#
#  116 TRP  HB+          97 LEU  MDY         6.00    (#   3190:20        Unique  2.45, 5.96 A)
 &rst
  ixpk= 3190, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1811,1812,
 igr2=1550,1551,1552,1554,1555,1556,
 &end
#
#  113 ILE  HG1+         97 LEU  MDY         4.00    (#   3191:20        Unique  2.00, 4.13 A)
 &rst
  ixpk= 3191, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1776,1777,
 igr2=1550,1551,1552,1554,1555,1556,
 &end
#
#   97 LEU  HA           97 LEU  HG          4.00    (#   3192:20        Unique  2.77, 3.35 A)
 &rst
  ixpk= 3192, nxpk= 20, iat=1543,1548, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   98 SER  HN           98 SER  HB+         3.50    (#   3193:20        Unique  2.09, 2.96 A)
 &rst
  ixpk= 3193, nxpk= 20, iat=1560,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1564,1565,
 &end
#
#  116 TRP  HE1          98 SER  HA          3.50    (#   3195:20        Unique  1.93, 2.83 A)
 &rst
  ixpk= 3195, nxpk= 20, iat=1817,1562, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   49 LYS  HN           99 ASP  HB+         5.50    (#   3196:20        Unique  3.80, 5.04 A)
 &rst
  ixpk= 3196, nxpk= 20, iat= 796,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1575,1576,
 &end
#
#    0 AMB  20-2:3197     0 AMB  20-1:3197   6.50    (#   3197:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3197, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.04, r4=11.54,
 igr1=1596,1597,1598,1513,1514,1515,
 igr2=1575,1576,1575,1576,
 &end
#
#   49 LYS  HN          100 ILE  HA          3.00    (#   3198:20        Unique  2.30, 2.53 A)
 &rst
  ixpk= 3198, nxpk= 20, iat= 796,1585, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  100 ILE  HG1+        100 ILE  HA          3.00    (#   3199:20        Unique  1.95, 2.62 A)
 &rst
  ixpk= 3199, nxpk= 20, iat=  -1,1585, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1593,1594,
 &end
#
#   63 VAL  MGX         100 ILE  HG1-        6.00    (#   3200:20        Unique  2.95, 5.13 A)
 &rst
  ixpk= 3200, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1049,1050,1051,1053,1054,1055,
 igr2=1593,1594,
 &end
#
#   48 TRP  HE1         100 ILE  QD1         6.00    (#   3201:20        Unique  4.30, 6.87 A)
 &rst
  ixpk= 3201, nxpk= 20, iat= 782,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1596,1597,1598,
 &end
#
#   48 TRP  HN          100 ILE  QD1         5.00    (#   3202:20        Unique  2.53, 4.20 A)
 &rst
  ixpk= 3202, nxpk= 20, iat= 772,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1596,1597,1598,
 &end
#
#    0 AMB  20-2:3203   100 ILE  QD1         5.00    (#   3203:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3203, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1519,1043,
 igr2=1596,1597,1598,
 &end
#
#   48 TRP  HD1         100 ILE  QD1         4.50    (#   3204:20        Unique  3.47, 5.85 A)
 &rst
  ixpk= 3204, nxpk= 20, iat= 780,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1596,1597,1598,
 &end
#
#   48 TRP  HB-         100 ILE  QD1         4.00    (#   3206:20        Unique  1.80, 4.20 A)
 &rst
  ixpk= 3206, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 776, 777,
 igr2=1596,1597,1598,
 &end
#
#   48 TRP  HA          100 ILE  QG2         5.00    (#   3208:20        Unique  4.56, 5.15 A)
 &rst
  ixpk= 3208, nxpk= 20, iat= 774,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1589,1590,1591,
 &end
#
#  102 ALA  HA          100 ILE  QG2         4.00    (#   3209:20        Unique  3.60, 4.87 A)
 &rst
  ixpk= 3209, nxpk= 20, iat=1619,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1589,1590,1591,
 &end
#
#  105 VAL  HN          102 ALA  MB          5.00    (#   3212:20        Unique  3.93, 5.08 A)
 &rst
  ixpk= 3212, nxpk= 20, iat=1658,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1621,1622,1623,
 &end
#
#    0 AMB  20-2:3213   103 ILE  HA          5.50    (#   3213:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3213, nxpk= 20, iat=  -1,1629, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1650,1651, 733, 734,
 &end
#
#  104 ASP  HB+         103 ILE  HA          5.00    (#   3214:20        Unique  4.23, 4.82 A)
 &rst
  ixpk= 3214, nxpk= 20, iat=  -1,1629, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1650,1651,
 &end
#
#  103 ILE  HB          104 ASP  HB+         5.00    (#   3215:20        Unique  3.76, 4.89 A)
 &rst
  ixpk= 3215, nxpk= 20, iat=1631,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1650,1651,
 &end
#
#    0 AMB  20-2:3216   105 VAL  MGX         6.00    (#   3216:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3216, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1617, 750,
 igr2=1664,1665,1666,1668,1669,1670,
 &end
#
#    0 AMB  20-2:3217   105 VAL  MGX         4.00    (#   3217:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3217, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1619,1676,
 igr2=1664,1665,1666,1668,1669,1670,
 &end
#
#  110 GLN  HA          105 VAL  MGX         4.00    (#   3218:20        Unique  2.74, 4.75 A)
 &rst
  ixpk= 3218, nxpk= 20, iat=1726,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1664,1665,1666,1668,1669,1670,
 &end
#
#   44 PHE  HB-         105 VAL  MGX         6.00    (#   3219:20        Unique  2.37, 5.33 A)
 &rst
  ixpk= 3219, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 710, 711,
 igr2=1664,1665,1666,1668,1669,1670,
 &end
#
#  109 THR  HB          105 VAL  MGY         4.50    (#   3221:20        Unique  2.91, 4.07 A)
 &rst
  ixpk= 3221, nxpk= 20, iat=1714,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1664,1665,1666,1668,1669,1670,
 &end
#
#  110 GLN  HG+         105 VAL  MGY         5.00    (#   3222:20        Unique  2.65, 5.34 A)
 &rst
  ixpk= 3222, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1731,1732,
 igr2=1664,1665,1666,1668,1669,1670,
 &end
#
#   39 THR  MG2         108 ASP  HB+         4.00    (#   3223:20        Unique  1.95, 3.61 A)
 &rst
  ixpk= 3223, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 630, 631, 632,
 igr2=1702,1703,
 &end
#
#  113 ILE  QD1         109 THR  HA          4.00    (#   3224:20        Unique  3.29, 4.58 A)
 &rst
  ixpk= 3224, nxpk= 20, iat=  -1,1712, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1779,1780,1781,
 &end
#
#  106 ASP  HN          109 THR  HB          3.00    (#   3225:20        Unique  2.20, 2.55 A)
 &rst
  ixpk= 3225, nxpk= 20, iat=1674,1714, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  109 THR  HN          109 THR  HB          3.00    (#   3226:20        Unique  2.34, 2.46 A)
 &rst
  ixpk= 3226, nxpk= 20, iat=1710,1714, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  110 GLN  HN          109 THR  HB          3.00    (#   3227:20        Unique  2.17, 2.22 A)
 &rst
  ixpk= 3227, nxpk= 20, iat=1724,1714, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  105 VAL  HB          109 THR  HB          4.30    (#   3228:20        Unique  1.96, 2.17 A)
 &rst
  ixpk= 3228, nxpk= 20, iat=1662,1714, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  105 VAL  MGX         109 THR  HB          3.00    (#   3229:20        Unique  2.91, 4.07 A)
 &rst
  ixpk= 3229, nxpk= 20, iat=  -1,1714, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1664,1665,1666,1668,1669,1670,
 &end
#
#  109 THR  MG2         109 THR  HB          3.00    (#   3230:20        Unique  2.23, 2.64 A)
 &rst
  ixpk= 3230, nxpk= 20, iat=  -1,1714, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1716,1717,1718,
 &end
#
#   44 PHE  HD          109 THR  MG2         5.00    (#   3231:20        Unique  3.32, 4.65 A)
 &rst
  ixpk= 3231, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 714, 722,
 igr2=1716,1717,1718,
 &end
#
#   40 LEU  HA          109 THR  MG2         3.00    (#   3234:20        Unique  1.99, 3.60 A)
 &rst
  ixpk= 3234, nxpk= 20, iat= 640,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1716,1717,1718,
 &end
#
#  102 ALA  MB          109 THR  MG2         3.00    (#   3235:20        Unique  2.30, 4.16 A)
 &rst
  ixpk= 3235, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1621,1622,1623,
 igr2=1716,1717,1718,
 &end
#
#  110 GLN  HB-         110 GLN  HA          3.00    (#   3236:20        Unique  2.58, 2.81 A)
 &rst
  ixpk= 3236, nxpk= 20, iat=  -1,1726, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1728,1729,
 &end
#
#  111 GLU  HN          110 GLN  HG-         5.00    (#   3237:20        Unique  3.79, 4.48 A)
 &rst
  ixpk= 3237, nxpk= 20, iat=1741,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1731,1732,
 &end
#
#  110 GLN  HN          110 GLN  HG-         4.50    (#   3238:20        Unique  4.00, 4.39 A)
 &rst
  ixpk= 3238, nxpk= 20, iat=1724,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1731,1732,
 &end
#
#  110 GLN  HE2+        110 GLN  HG-         4.00    (#   3239:20        Unique  2.28, 3.37 A)
 &rst
  ixpk= 3239, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1736,1737,
 igr2=1731,1732,
 &end
#
#  110 GLN  HE2-        110 GLN  HG-         4.00    (#   3240:20        Unique  2.28, 3.37 A)
 &rst
  ixpk= 3240, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1736,1737,
 igr2=1731,1732,
 &end
#
#    0 AMB  20-2:3241   110 GLN  HG-         5.00    (#   3241:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3241, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1688,1629,
 igr2=1731,1732,
 &end
#
#  110 GLN  HA          110 GLN  HG-         3.80    (#   3242:20        Unique  2.24, 3.16 A)
 &rst
  ixpk= 3242, nxpk= 20, iat=1726,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2=1731,1732,
 &end
#
#  110 GLN  HB+         110 GLN  HG-         3.00    (#   3243:20        Unique  2.23, 2.56 A)
 &rst
  ixpk= 3243, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1728,1729,
 igr2=1731,1732,
 &end
#
#  105 VAL  MGX         110 GLN  HG-         4.00    (#   3244:20        Unique  2.65, 5.34 A)
 &rst
  ixpk= 3244, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1664,1665,1666,1668,1669,1670,
 igr2=1731,1732,
 &end
#
#  102 ALA  MB          110 GLN  HG-         5.00    (#   3245:20        Unique  1.97, 4.17 A)
 &rst
  ixpk= 3245, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1621,1622,1623,
 igr2=1731,1732,
 &end
#
#  114 ALA  MB          110 GLN  HG-         6.00    (#   3246:20        Unique  4.13, 5.89 A)
 &rst
  ixpk= 3246, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1789,1790,1791,
 igr2=1731,1732,
 &end
#
#  112 ALA  HN          111 GLU  HA          4.00    (#   3247:20        Unique  3.52, 3.56 A)
 &rst
  ixpk= 3247, nxpk= 20, iat=1756,1743, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  111 GLU  HN          111 GLU  HA          3.00    (#   3248:20        Unique  2.70, 2.71 A)
 &rst
  ixpk= 3248, nxpk= 20, iat=1741,1743, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  110 GLN  HE2-        111 GLU  HA          5.00    (#   3249:20        Unique  3.07, 4.12 A)
 &rst
  ixpk= 3249, nxpk= 20, iat=  -1,1743, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1736,1737,
 &end
#
#  115 ASP  HN          111 GLU  HA          4.00    (#   3250:20        Unique  3.56, 3.69 A)
 &rst
  ixpk= 3250, nxpk= 20, iat=1795,1743, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  112 ALA  MB          111 GLU  HA          5.00    (#   3251:20        Unique  5.55, 6.11 A)
 &rst
  ixpk= 3251, nxpk= 20, iat=  -1,1743, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1760,1761,1762,
 &end
#
#  111 GLU  HB+         111 GLU  HA          3.00    (#   3252:20        Unique  2.50, 2.78 A)
 &rst
  ixpk= 3252, nxpk= 20, iat=  -1,1743, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1745,1746,
 &end
#
#  111 GLU  HG+         111 GLU  HA          3.00    (#   3253:20        Unique  2.51, 3.16 A)
 &rst
  ixpk= 3253, nxpk= 20, iat=  -1,1743, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1748,1749,
 &end
#
#  111 GLU  HN          111 GLU  HG+         3.00    (#   3254:20        Unique  2.11, 2.90 A)
 &rst
  ixpk= 3254, nxpk= 20, iat=1741,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1748,1749,
 &end
#
#  113 ILE  HN          112 ALA  HA          4.00    (#   3257:20        Unique  3.57, 3.57 A)
 &rst
  ixpk= 3257, nxpk= 20, iat=1766,1758, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  115 ASP  HB+         112 ALA  HA          4.00    (#   3259:20        Unique  2.25, 3.32 A)
 &rst
  ixpk= 3259, nxpk= 20, iat=  -1,1758, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1799,1800,
 &end
#
#    0 AMB  20-2:3260   112 ALA  MB          6.00    (#   3260:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3260, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1748,1749,1731,1732,
 igr2=1760,1761,1762,
 &end
#
#    0 AMB  20-2:3261   121 ALA  MB          4.00    (#   3261:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3261, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.46, r4= 7.96,
 igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
      1909,1910,1928,1929,
 igr2=1918,1919,1920,
 &end
#
#  116 TRP  HN          113 ILE  HA          4.00    (#   3262:20        Unique  3.68, 3.81 A)
 &rst
  ixpk= 3262, nxpk= 20, iat=1807,1768, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  114 ALA  HN          113 ILE  HA          4.50    (#   3263:20        Unique  3.57, 3.57 A)
 &rst
  ixpk= 3263, nxpk= 20, iat=1785,1768, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  112 ALA  MB          113 ILE  HA          5.00    (#   3264:20        Unique  3.74, 4.70 A)
 &rst
  ixpk= 3264, nxpk= 20, iat=  -1,1768, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1760,1761,1762,
 &end
#
#    0 AMB  20-2:3268   113 ILE  HG1-        3.50    (#   3268:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3268, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1770, 645,
 igr2=1776,1777,
 &end
#
#    0 AMB  20-2:3269   113 ILE  QD1         4.00    (#   3269:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3269, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr1=1731,1732,1731,1732, 588,
 igr2=1779,1780,1781,
 &end
#
#  102 ALA  HN          113 ILE  QG2         5.50    (#   3270:20        Unique  2.83, 4.88 A)
 &rst
  ixpk= 3270, nxpk= 20, iat=1617,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1772,1773,1774,
 &end
#
#  110 GLN  HE2-        113 ILE  QG2         5.50    (#   3271:20        Unique  2.45, 4.87 A)
 &rst
  ixpk= 3271, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1736,1737,
 igr2=1772,1773,1774,
 &end
#
#  115 ASP  HN          114 ALA  MB          4.00    (#   3272:20        Unique  2.42, 3.17 A)
 &rst
  ixpk= 3272, nxpk= 20, iat=1795,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1789,1790,1791,
 &end
#
#  118 TYR  HD          114 ALA  MB          5.00    (#   3274:20        Unique  4.03, 6.03 A)
 &rst
  ixpk= 3274, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1858,1867,
 igr2=1789,1790,1791,
 &end
#
#  118 TYR  HD          115 ASP  HB+         6.00    (#   3276:20        Unique  4.27, 6.36 A)
 &rst
  ixpk= 3276, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1858,1867,
 igr2=1799,1800,
 &end
#
#  112 ALA  HA          115 ASP  HB+         4.00    (#   3277:20        Unique  2.25, 3.32 A)
 &rst
  ixpk= 3277, nxpk= 20, iat=1758,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1799,1800,
 &end
#
#    0 AMB  20-2:3278     0 AMB  20-1:3278   5.00    (#   3278:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3278, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 231, 232, 233,1789,1790,1791,
 igr2=1799,1800,1799,1800,
 &end
#
#    0 AMB  20-2:3279     0 AMB  20-1:3279   6.00    (#   3279:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3279, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
 igr1= 228, 229,1760,1761,1762,
 igr2=1799,1800,1799,1800,
 &end
#
#   18 ILE  QD1         115 ASP  HB+         7.00    (#   3280:20        Unique  3.65, 5.73 A)
 &rst
  ixpk= 3280, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 294, 295, 296,
 igr2=1799,1800,
 &end
#
#  116 TRP  HN          116 TRP  HA          3.50    (#   3281:20        Unique  2.79, 2.82 A)
 &rst
  ixpk= 3281, nxpk= 20, iat=1807,1809, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:3282   116 TRP  HA          4.00    (#   3282:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3282, nxpk= 20, iat=  -1,1809, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1871,1850,
 &end
#
#  116 TRP  HB-         116 TRP  HA          3.00    (#   3283:20        Unique  2.26, 2.65 A)
 &rst
  ixpk= 3283, nxpk= 20, iat=  -1,1809, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1811,1812,
 &end
#
#    0 AMB  20-2:3284   116 TRP  HB-         6.00    (#   3284:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3284, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
 igr1=1779,1780,1781,1959,1960,
 igr2=1811,1812,
 &end
#
#  117 LEU  HG          117 LEU  HA          3.80    (#   3285:20        Unique  2.56, 2.84 A)
 &rst
  ixpk= 3285, nxpk= 20, iat=1838,1833, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#    0 AMB  20-2:3286    36 LEU  HA          4.00    (#   3286:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3286, nxpk= 20, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1=1127,1128,1129,1548, 645,
 &end
#
#  118 TYR  HD          118 TYR  HA          4.50    (#   3287:20        Unique  2.02, 3.53 A)
 &rst
  ixpk= 3287, nxpk= 20, iat=  -1,1852, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1858,1867,
 &end
#
#  118 TYR  HD          118 TYR  HB+         3.50    (#   3288:20        Unique  2.32, 3.07 A)
 &rst
  ixpk= 3288, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1858,1867,
 igr2=1854,1855,
 &end
#
#  123 GLY  HN          120 LEU  HA          4.50    (#   3289:20        Unique  3.36, 3.78 A)
 &rst
  ixpk= 3289, nxpk= 20, iat=1948,1897, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  124 TYR  HN          120 LEU  HA          5.00    (#   3290:20        Unique  2.13, 2.51 A)
 &rst
  ixpk= 3290, nxpk= 20, iat=1955,1897, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  120 LEU  HA          120 LEU  MDX         3.00    (#   3291:20        Unique  2.02, 4.13 A)
 &rst
  ixpk= 3291, nxpk= 20, iat=1897,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1904,1905,1906,1908,1909,1910,
 &end
#
#   40 LEU  MDY         112 ALA  MB          3.00    (#   3292:20        Unique  1.98, 4.34 A)
 &rst
  ixpk= 3292, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 647, 648, 649, 651, 652, 653,
 igr2=1760,1761,1762,
 &end
#
#  124 TYR  HN          122 ARG  HA          6.00    (#   3293:20        Unique  5.01, 5.76 A)
 &rst
  ixpk= 3293, nxpk= 20, iat=1955,1926, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  122 ARG  HE          122 ARG  HA          4.70    (#   3294:20        Unique  2.12, 3.60 A)
 &rst
  ixpk= 3294, nxpk= 20, iat=1937,1926, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#    2 ALA  HA          122 ARG  HA          5.00    (#   3295:20        Unique  4.12, 4.64 A)
 &rst
  ixpk= 3295, nxpk= 20, iat=  23,1926, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  122 ARG  HN          122 ARG  HG-         5.00    (#   3297:20        Unique  3.40, 4.36 A)
 &rst
  ixpk= 3297, nxpk= 20, iat=1924,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1931,1932,
 &end
#
#  122 ARG  HN          122 ARG  HG+         5.00    (#   3298:20        Unique  3.40, 4.36 A)
 &rst
  ixpk= 3298, nxpk= 20, iat=1924,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1931,1932,
 &end
#
#  122 ARG  HN          123 GLY  HA-         6.00    (#   3299:20        Unique  4.85, 5.15 A)
 &rst
  ixpk= 3299, nxpk= 20, iat=1924,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1950,1951,
 &end
#
#    0 AMB  20-2:3301   124 TYR  HA          5.00    (#   3301:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3301, nxpk= 20, iat=  -1,1957, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1986,1987,1980,1981,
 &end
#
#    0 AMB  20-2:3304     0 AMB  20-1:3304   6.00    (#   3304:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3304, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
 igr1=1959,1960, 464, 465, 466,
 igr2=2002,2003,2002,2003,
 &end
#
#    0 AMB  20-2:3305     0 AMB  20-1:3305   6.00    (#   3305:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3305, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1=1980,1981,1986,1987,
 igr2=2002,2003,2002,2003,
 &end
#
#    0 AMB  20-2:3306     0 AMB  20-1:3306   5.00    (#   3306:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3306, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1=1980,1981,1211,1212,
 igr2=2002,2003,2002,2003,
 &end
#
#   25 LYS  HE+          25 LYS  HB+         4.00    (#   3307:20        Unique  1.95, 3.92 A)
 &rst
  ixpk= 3307, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 397, 398,
 igr2= 388, 389,
 &end
#
#  119 TRP  HB-           2 ALA  MB          7.20    (#   3308:20        Unique  2.78, 5.26 A)
 &rst
  ixpk= 3308, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1=1875,1876,
 igr2=  25,  26,  27,
 &end
#
#    0 AMB  20-2:3309     4 VAL  HA          5.00    (#   3309:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3309, nxpk= 20, iat=  -1,  44, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=  25,  26,  27,1918,1919,1920,
 &end
#
#    0 AMB  20-2:3310   121 ALA  MB          4.00    (#   3310:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3310, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.46, r4= 7.96,
 igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
      1909,1910,1928,1929,
 igr2=1918,1919,1920,
 &end
#
#   23 GLU  HN           27 GLU  HB+         4.00    (#   3311:20        Unique  2.72, 3.18 A)
 &rst
  ixpk= 3311, nxpk= 20, iat= 357,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 425, 426,
 &end
#
#   18 ILE  QD1          14 ILE  HB          6.00    (#   3313:20        Unique  4.06, 5.22 A)
 &rst
  ixpk= 3313, nxpk= 20, iat=  -1, 222, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 294, 295, 296,
 &end
#
#   41 GLU  HA           41 GLU  HG+         4.00    (#   3316:20        Unique  3.55, 3.75 A)
 &rst
  ixpk= 3316, nxpk= 20, iat= 659,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 664, 665,
 &end
#
#   35 TYR  HB+          18 ILE  HA          6.00    (#   3317:20        Unique  3.29, 4.05 A)
 &rst
  ixpk= 3317, nxpk= 20, iat=  -1, 283, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 564, 565,
 &end
#
#   35 TYR  HB-          18 ILE  HA          6.00    (#   3318:20        Unique  3.29, 4.05 A)
 &rst
  ixpk= 3318, nxpk= 20, iat=  -1, 283, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 564, 565,
 &end
#
#  122 ARG  HD+         122 ARG  HG+         3.50    (#   3320:20        Unique  2.22, 2.69 A)
 &rst
  ixpk= 3320, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1934,1935,
 igr2=1931,1932,
 &end
#
#  122 ARG  HD+         122 ARG  HG-         3.50    (#   3321:20        Unique  2.22, 2.69 A)
 &rst
  ixpk= 3321, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1934,1935,
 igr2=1931,1932,
 &end
#
#   25 LYS  HE+          25 LYS  HA          4.20    (#   3322:20        Unique  3.84, 4.69 A)
 &rst
  ixpk= 3322, nxpk= 20, iat=  -1, 386, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 397, 398,
 &end
#
#    6 ARG  HB-           6 ARG  HD-         3.00    (#   3324:20        Unique  2.08, 3.34 A)
 &rst
  ixpk= 3324, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  77,  78,
 igr2=  83,  84,
 &end
#
#    0 AMB  20-2:3326     0 AMB  20-1:3326   3.00    (#   3326:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3326, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 877, 878, 981, 982,
 igr2= 883, 884, 883, 884,
 &end
#
#   61 LYS  HB+          61 LYS  HE+         3.50    (#   3327:20        Unique  2.29, 2.82 A)
 &rst
  ixpk= 3327, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1011,1012,
 igr2=1020,1021,
 &end
#
#  108 ASP  HN          107 ASP  HB-         3.00    (#   3328:20        Unique  2.30, 2.96 A)
 &rst
  ixpk= 3328, nxpk= 20, iat=1698,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1690,1691,
 &end
#
#   52 SER  HB+          51 LYS  HG+         7.00    (#   3331:20        Unique  4.62, 6.51 A)
 &rst
  ixpk= 3331, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 866, 867,
 igr2= 847, 848,
 &end
#
#    0 AMB  20-2:3332     0 AMB  20-1:3332   4.00    (#   3332:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3332, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=  46,1838,1728,1729,
 igr2=1918,1919,1920,1760,1761,1762,
 &end
#
#   36 LEU  HN           36 LEU  HB+         3.50    (#   3333:20        Unique  2.07, 2.54 A)
 &rst
  ixpk= 3333, nxpk= 20, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 585, 586,
 &end
#
#   45 MET  HB-         103 ILE  QG2         4.00    (#   3334:20        Unique  4.23, 5.59 A)
 &rst
  ixpk= 3334, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 730, 731,
 igr2=1633,1634,1635,
 &end
#
#   45 MET  HN          103 ILE  QG2         6.00    (#   3336:20        Unique  4.60, 6.24 A)
 &rst
  ixpk= 3336, nxpk= 20, iat= 726,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1633,1634,1635,
 &end
#
#   19 ILE  QD1          18 ILE  QG2         6.00    (#   3337:20        Unique  2.08, 5.04 A)
 &rst
  ixpk= 3337, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 313, 314, 315,
 igr2= 287, 288, 289,
 &end
#
#   92 VAL  HA           92 VAL  HB          3.00    (#   3338:20        Unique  2.23, 2.39 A)
 &rst
  ixpk= 3338, nxpk= 20, iat=1460,1462, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:3339     0 AMB  20-1:3339   4.00    (#   3339:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3339, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 842, 935,
 igr2= 850, 851, 850, 851,
 &end
#
#   96 LYS  HA           96 LYS  HG-         4.00    (#   3340:20        Unique  2.43, 3.28 A)
 &rst
  ixpk= 3340, nxpk= 20, iat=1521,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1526,1527,
 &end
#
#   48 TRP  HD1          48 TRP  HB+         4.00    (#   3341:20        Unique  3.14, 3.56 A)
 &rst
  ixpk= 3341, nxpk= 20, iat= 780,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 776, 777,
 &end
#
#   48 TRP  HD1          48 TRP  HB-         4.00    (#   3342:20        Unique  3.14, 3.56 A)
 &rst
  ixpk= 3342, nxpk= 20, iat= 780,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 776, 777,
 &end
#
#   84 ASP  HA           84 ASP  HB-         3.00    (#   3343:20        Unique  2.24, 2.64 A)
 &rst
  ixpk= 3343, nxpk= 20, iat=1357,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1359,1360,
 &end
#
#   91 ASP  HA           91 ASP  HB+         3.00    (#   3344:20        Unique  2.49, 2.79 A)
 &rst
  ixpk= 3344, nxpk= 20, iat=1448,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1450,1451,
 &end
#
#   91 ASP  HA           91 ASP  HB-         3.00    (#   3345:20        Unique  2.49, 2.79 A)
 &rst
  ixpk= 3345, nxpk= 20, iat=1448,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1450,1451,
 &end
#
#   76 LYS  HN           75 LEU  HB-         4.50    (#   3346:20        Unique  3.31, 3.91 A)
 &rst
  ixpk= 3346, nxpk= 20, iat=1226,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1211,1212,
 &end
#
#   76 LYS  HN           75 LEU  HB+         4.50    (#   3347:20        Unique  3.31, 3.91 A)
 &rst
  ixpk= 3347, nxpk= 20, iat=1226,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1211,1212,
 &end
#
#   19 ILE  HB           18 ILE  QG2         6.50    (#   3349:20        Unique  4.54, 5.95 A)
 &rst
  ixpk= 3349, nxpk= 20, iat= 304,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr2= 287, 288, 289,
 &end
#
#  118 TYR  HD           14 ILE  QD1         5.50    (#   3352:20        Unique  5.00, 7.83 A)
 &rst
  ixpk= 3352, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1858,1867,
 igr2= 231, 232, 233,
 &end
#
#    0 AMB  20-2:3353     0 AMB  20-1:3353   3.00    (#   3353:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3353, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 585, 586,1760,1761,1762,
 igr2= 590, 591, 592, 594, 595, 596, 630, 631, 632,
 &end
#
#    0 AMB  20-2:3354    62 THR  HB          4.00    (#   3354:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3354, nxpk= 20, iat=  -1,1033, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1049,1050,1051,1053,1054,1055,1373,1374,1375,
 &end
#
#   85 ILE  QG2          64 GLU  HB-         4.20    (#   3355:20        Unique  2.06, 3.00 A)
 &rst
  ixpk= 3355, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1373,1374,1375,
 igr2=1063,1064,
 &end
#
#   85 ILE  QD1          85 ILE  HG1+        3.00    (#   3356:20        Unique  2.20, 2.62 A)
 &rst
  ixpk= 3356, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1380,1381,1382,
 igr2=1377,1378,
 &end
#
#  122 ARG  HG+         122 ARG  HA          3.20    (#   3357:20        Unique  2.06, 3.08 A)
 &rst
  ixpk= 3357, nxpk= 20, iat=  -1,1926, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr1=1931,1932,
 &end
#
#   59 GLU  HB-          59 GLU  HA          3.00    (#   3358:20        Unique  2.57, 2.82 A)
 &rst
  ixpk= 3358, nxpk= 20, iat=  -1, 979, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 981, 982,
 &end
#
#    4 VAL  MGX           4 VAL  HB          3.00    (#   3359:20        Unique  2.24, 2.63 A)
 &rst
  ixpk= 3359, nxpk= 20, iat=  -1,  46, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=  48,  49,  50,  52,  53,  54,
 &end
#
#   98 SER  HA          120 LEU  MDY         4.00    (#   3360:20        Unique  2.27, 4.16 A)
 &rst
  ixpk= 3360, nxpk= 20, iat=1562,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1904,1905,1906,1908,1909,1910,
 &end
#
#   18 ILE  QG2          14 ILE  HA          7.00    (#   3361:20        Unique  4.89, 5.80 A)
 &rst
  ixpk= 3361, nxpk= 20, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 287, 288, 289,
 &end
#
#   76 LYS  HN           73 GLU  HA          6.00    (#   3362:20        Unique  6.10, 6.29 A)
 &rst
  ixpk= 3362, nxpk= 20, iat=1226,1183, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    9 THR  HN            7 ASP  HA          5.00    (#   3363:20        Unique  3.89, 4.13 A)
 &rst
  ixpk= 3363, nxpk= 20, iat= 124,  99, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   10 ARG  HN            7 ASP  HA          6.20    (#   3364:20        Unique  5.30, 5.93 A)
 &rst
  ixpk= 3364, nxpk= 20, iat= 138,  99, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#   84 ASP  HB+          84 ASP  HA          3.00    (#   3365:20        Unique  2.24, 2.64 A)
 &rst
  ixpk= 3365, nxpk= 20, iat=  -1,1357, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1359,1360,
 &end
#
#   63 VAL  HA           84 ASP  HA          3.00    (#   3366:20        Unique  2.51, 2.86 A)
 &rst
  ixpk= 3366, nxpk= 20, iat=1045,1357, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   63 VAL  MGY          84 ASP  HA          4.50    (#   3367:20        Unique  1.75, 4.20 A)
 &rst
  ixpk= 3367, nxpk= 20, iat=  -1,1357, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1049,1050,1051,1053,1054,1055,
 &end
#
#   46 GLY  HN           46 GLY  HA-         3.00    (#   3368:20        Unique  2.58, 2.77 A)
 &rst
  ixpk= 3368, nxpk= 20, iat= 743,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 745, 746,
 &end
#
#   91 ASP  HB-          91 ASP  HA          3.00    (#   3369:20        Unique  2.49, 2.79 A)
 &rst
  ixpk= 3369, nxpk= 20, iat=  -1,1448, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1450,1451,
 &end
#
#   91 ASP  HB+          91 ASP  HA          3.00    (#   3370:20        Unique  2.49, 2.79 A)
 &rst
  ixpk= 3370, nxpk= 20, iat=  -1,1448, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1450,1451,
 &end
#
#   90 ASP  HA           90 ASP  HB+         3.00    (#   3371:20        Unique  2.47, 2.77 A)
 &rst
  ixpk= 3371, nxpk= 20, iat=1436,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1438,1439,
 &end
#
#   11 GLU  HN           10 ARG  HA          4.20    (#   3372:20        Unique  3.56, 3.57 A)
 &rst
  ixpk= 3372, nxpk= 20, iat= 162, 140, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   68 MET  HN           68 MET  HG+         4.00    (#   3373:20        Unique  1.69, 4.06 A)
 &rst
  ixpk= 3373, nxpk= 20, iat=1116,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1123,1124,
 &end
#
#  116 TRP  HE1          98 SER  HB+         5.50    (#   3374:20        Unique  3.53, 4.81 A)
 &rst
  ixpk= 3374, nxpk= 20, iat=1817,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1564,1565,
 &end
#
#  116 TRP  HE1          98 SER  HB-         5.00    (#   3375:20        Unique  3.53, 4.81 A)
 &rst
  ixpk= 3375, nxpk= 20, iat=1817,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1564,1565,
 &end
#
#   48 TRP  HA          100 ILE  HG1-        4.00    (#   3376:20        Unique  1.84, 2.79 A)
 &rst
  ixpk= 3376, nxpk= 20, iat= 774,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1593,1594,
 &end
#
#  101 GLU  HN          100 ILE  HG1+        4.00    (#   3377:20        Unique  1.82, 2.87 A)
 &rst
  ixpk= 3377, nxpk= 20, iat=1602,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1593,1594,
 &end
#
#  101 GLU  HN          100 ILE  HG1-        4.00    (#   3378:20        Unique  1.82, 2.87 A)
 &rst
  ixpk= 3378, nxpk= 20, iat=1602,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1593,1594,
 &end
#
#    0 AMB  20-2:3379   100 ILE  HG1-        5.50    (#   3379:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3379, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 796,1007,
 igr2=1593,1594,
 &end
#
#    0 AMB  20-2:3380     0 AMB  20-1:3380   5.50    (#   3380:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3380, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 796,1007,
 igr2=1593,1594,1593,1594,
 &end
#
#    0 AMB  20-2:3381   100 ILE  QG2         6.00    (#   3381:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3381, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 772,1074,
 igr2=1589,1590,1591,
 &end
#
#   44 PHE  HE          102 ALA  HA          5.00    (#   3382:20        Unique  1.86, 4.68 A)
 &rst
  ixpk= 3382, nxpk= 20, iat=  -1,1619, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 716, 720,
 &end
#
#   50 LYS  HN           58 ILE  HA          5.00    (#   3383:20        Unique  4.16, 4.47 A)
 &rst
  ixpk= 3383, nxpk= 20, iat= 818, 960, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   65 VAL  MGY          42 PHE  HB+         5.00    (#   3384:20        Unique  2.07, 5.01 A)
 &rst
  ixpk= 3384, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1080,1081,1082,1084,1085,1086,
 igr2= 676, 677,
 &end
#
#  105 VAL  MGX         104 ASP  HB+         6.50    (#   3385:20        Unique  4.17, 6.26 A)
 &rst
  ixpk= 3385, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.84, r4=10.34,
 igr1=1664,1665,1666,1668,1669,1670,
 igr2=1650,1651,
 &end
#
#    0 AMB  20-2:3386   105 VAL  MGY         6.00    (#   3386:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3386, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1617, 750,
 igr2=1664,1665,1666,1668,1669,1670,
 &end
#
#    0 AMB  20-2:3387   105 VAL  MGY         4.00    (#   3387:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3387, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1619,1676,
 igr2=1664,1665,1666,1668,1669,1670,
 &end
#
#  112 ALA  HN          112 ALA  HA          3.00    (#   3388:20        Unique  2.75, 2.77 A)
 &rst
  ixpk= 3388, nxpk= 20, iat=1756,1758, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  111 GLU  HN          109 THR  HA          5.50    (#   3389:20        Unique  4.87, 5.04 A)
 &rst
  ixpk= 3389, nxpk= 20, iat=1741,1712, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  113 ILE  HN          110 GLN  HA          4.00    (#   3390:20        Unique  3.55, 3.67 A)
 &rst
  ixpk= 3390, nxpk= 20, iat=1766,1726, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  115 ASP  HN          114 ALA  HA          4.00    (#   3391:20        Unique  3.52, 3.56 A)
 &rst
  ixpk= 3391, nxpk= 20, iat=1795,1787, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   13 ARG  HE           13 ARG  HG-         4.00    (#   3392:20        Unique  2.26, 2.89 A)
 &rst
  ixpk= 3392, nxpk= 20, iat= 207,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 201, 202,
 &end
#
#   13 ARG  HE           13 ARG  HG+         4.00    (#   3393:20        Unique  2.26, 2.89 A)
 &rst
  ixpk= 3393, nxpk= 20, iat= 207,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 201, 202,
 &end
#
#   18 ILE  QD1          13 ARG  HG-         8.50    (#   3394:20        Unique  7.97, 9.81 A)
 &rst
  ixpk= 3394, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.46, r4=11.96,
 igr1= 294, 295, 296,
 igr2= 201, 202,
 &end
#
#   18 ILE  QD1          13 ARG  HG+         8.50    (#   3396:20        Unique  7.97, 9.81 A)
 &rst
  ixpk= 3396, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.46, r4=11.96,
 igr1= 294, 295, 296,
 igr2= 201, 202,
 &end
#
#   77 ASP  HN           75 LEU  MDY         7.00    (#   3397:20        Unique  6.94, 7.72 A)
 &rst
  ixpk= 3397, nxpk= 20, iat=1248,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#  119 TRP  HE1         120 LEU  HA          5.20    (#   3398:20        Unique  3.51, 3.80 A)
 &rst
  ixpk= 3398, nxpk= 20, iat=1881,1897, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
# 2017 atoms read from pdb file prm1.pdb.
# 10 ARG PHI:  (9 THR C)-(10 ARG N)-(10 ARG CA)-(10 ARG C) -96.0 -36.0
 &rst     iat =   135,   137,   139,   159,
   r1 = -97.0, r2 = -96.0, r3 = -36.0, r4 = -35.0,
   rk2 =   50.0, rk3 =   50.0,    &end

# 10 ARG PSI:  (10 ARG N)-(10 ARG CA)-(10 ARG C)-(11 GLU N) -71.0 -11.0
 &rst     iat =   137,   139,   159,   161,
   r1 = -72.0, r2 = -71.0, r3 = -11.0, r4 = -10.0,
 &end

# 11 GLU PHI:  (10 ARG C)-(11 GLU N)-(11 GLU CA)-(11 GLU C) -96.0 -36.0
 &rst     iat =   159,   161,   163,   174,
   r1 = -97.0, r2 = -96.0, r3 = -36.0, r4 = -35.0,
 &end

# 11 GLU PSI:  (11 GLU N)-(11 GLU CA)-(11 GLU C)-(12 HIS N) -72.0 -12.0
 &rst     iat =   161,   163,   174,   176,
   r1 = -73.0, r2 = -72.0, r3 = -12.0, r4 = -11.0,
 &end

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

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

# 13 ARG PHI:  (12 HIS C)-(13 ARG N)-(13 ARG CA)-(13 ARG C) -97.0 -37.0
 &rst     iat =   191,   193,   195,   215,
   r1 = -98.0, r2 = -97.0, r3 = -37.0, r4 = -36.0,
 &end

# 13 ARG PSI:  (13 ARG N)-(13 ARG CA)-(13 ARG C)-(14 ILE N) -73.0 -13.0
 &rst     iat =   193,   195,   215,   217,
   r1 = -74.0, r2 = -73.0, r3 = -13.0, r4 = -12.0,
 &end

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

# 14 ILE PSI:  (14 ILE N)-(14 ILE CA)-(14 ILE C)-(15 GLU N) -71.0 -11.0
 &rst     iat =   217,   219,   234,   236,
   r1 = -72.0, r2 = -71.0, r3 = -11.0, r4 = -10.0,
 &end

# 15 GLU PHI:  (14 ILE C)-(15 GLU N)-(15 GLU CA)-(15 GLU C) -98.0 -38.0
 &rst     iat =   234,   236,   238,   249,
   r1 = -99.0, r2 = -98.0, r3 = -38.0, r4 = -37.0,
 &end

# 15 GLU PSI:  (15 GLU N)-(15 GLU CA)-(15 GLU C)-(16 THR N) -61.0  -1.0
 &rst     iat =   236,   238,   249,   251,
   r1 = -62.0, r2 = -61.0, r3 =  -1.0, r4 =   0.0,
 &end

# 18 ILE PHI:  (17 GLU C)-(18 ILE N)-(18 ILE CA)-(18 ILE C) -101.0 -41.0
 &rst     iat =   278,   280,   282,   297,
   r1 = -122.0, r2 = -121.0, r3 = -41.0, r4 = -40.0,
 &end

# 18 ILE PSI:  (18 ILE N)-(18 ILE CA)-(18 ILE C)-(19 ILE N) -59.0   1.0
 &rst     iat =   280,   282,   297,   299,
   r1 = -60.0, r2 = -59.0, r3 =   1.0, r4 =   2.0,
 &end

# 19 ILE PHI:  (18 ILE C)-(19 ILE N)-(19 ILE CA)-(19 ILE C) -134.0 -74.0
 &rst     iat =   297,   299,   301,   316,
   r1 = -135.0, r2 = -134.0, r3 = -74.0, r4 = -73.0,
 &end

# 19 ILE PSI:  (19 ILE N)-(19 ILE CA)-(19 ILE C)-(20 VAL N) -35.0  25.0
 &rst     iat =   299,   301,   316,   318,
   r1 = -36.0, r2 = -35.0, r3 =  25.0, r4 =  26.0,
 &end

# 24 ASP PHI:  (23 GLU C)-(24 ASP N)-(24 ASP CA)-(24 ASP C) -133.0 -73.0
 &rst     iat =   369,   371,   373,   381,
   r1 = -164.0, r2 = -163.0, r3 = -73.0, r4 = -72.0,
 &end

# 24 ASP PSI:  (24 ASP N)-(24 ASP CA)-(24 ASP C)-(25 LYS N) 136.0 196.0
 &rst     iat =   371,   373,   381,   383,
   r1 = 135.0, r2 = 136.0, r3 = 196.0, r4 = 197.0,
 &end

# 25 LYS PHI:  (24 ASP C)-(25 LYS N)-(25 LYS CA)-(25 LYS C) -91.0 -31.0
 &rst     iat =   381,   383,   385,   403,
   r1 = -92.0, r2 = -91.0, r3 = -31.0, r4 = -30.0,
 &end

# 25 LYS PSI:  (25 LYS N)-(25 LYS CA)-(25 LYS C)-(26 GLU N) -66.0  -6.0
 &rst     iat =   383,   385,   403,   405,
   r1 = -67.0, r2 = -66.0, r3 =  -6.0, r4 =  -5.0,
 &end

# 26 GLU PHI:  (25 LYS C)-(26 GLU N)-(26 GLU CA)-(26 GLU C) -98.0 -38.0
 &rst     iat =   403,   405,   407,   418,
   r1 = -99.0, r2 = -98.0, r3 = -38.0, r4 = -37.0,
 &end

# 26 GLU PSI:  (26 GLU N)-(26 GLU CA)-(26 GLU C)-(27 GLU N) -71.0 -11.0
 &rst     iat =   405,   407,   418,   420,
   r1 = -72.0, r2 = -71.0, r3 = -11.0, r4 = -10.0,
 &end

# 27 GLU PHI:  (26 GLU C)-(27 GLU N)-(27 GLU CA)-(27 GLU C) -92.0 -32.0
 &rst     iat =   418,   420,   422,   433,
   r1 = -93.0, r2 = -92.0, r3 = -32.0, r4 = -31.0,
 &end

# 27 GLU PSI:  (27 GLU N)-(27 GLU CA)-(27 GLU C)-(28 ARG N) -71.0 -11.0
 &rst     iat =   420,   422,   433,   435,
   r1 = -72.0, r2 = -71.0, r3 = -11.0, r4 = -10.0,
 &end

# 28 ARG PHI:  (27 GLU C)-(28 ARG N)-(28 ARG CA)-(28 ARG C) -98.0 -38.0
 &rst     iat =   433,   435,   437,   457,
   r1 = -99.0, r2 = -98.0, r3 = -38.0, r4 = -37.0,
 &end

# 28 ARG PSI:  (28 ARG N)-(28 ARG CA)-(28 ARG C)-(29 ALA N) -72.0 -12.0
 &rst     iat =   435,   437,   457,   459,
   r1 = -73.0, r2 = -72.0, r3 = -12.0, r4 = -11.0,
 &end

# 29 ALA PHI:  (28 ARG C)-(29 ALA N)-(29 ALA CA)-(29 ALA C) -93.0 -33.0
 &rst     iat =   457,   459,   461,   467,
   r1 = -94.0, r2 = -93.0, r3 = -33.0, r4 = -32.0,
 &end

# 29 ALA PSI:  (29 ALA N)-(29 ALA CA)-(29 ALA C)-(30 MET N) -71.0 -11.0
 &rst     iat =   459,   461,   467,   469,
   r1 = -72.0, r2 = -71.0, r3 = -11.0, r4 = -10.0,
 &end

# 30 MET PHI:  (29 ALA C)-(30 MET N)-(30 MET CA)-(30 MET C) -102.0 -42.0
 &rst     iat =   467,   469,   471,   484,
   r1 = -103.0, r2 = -102.0, r3 = -42.0, r4 = -41.0,
 &end

# 30 MET PSI:  (30 MET N)-(30 MET CA)-(30 MET C)-(31 GLY N) -65.0  -5.0
 &rst     iat =   469,   471,   484,   486,
   r1 = -66.0, r2 = -65.0, r3 =  -5.0, r4 =  -4.0,
 &end

# 31 GLY PHI:  (30 MET C)-(31 GLY N)-(31 GLY CA)-(31 GLY C) -94.0 -34.0
 &rst     iat =   484,   486,   488,   491,
   r1 = -95.0, r2 = -94.0, r3 = -34.0, r4 = -33.0,
 &end

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

# 32 TRP PHI:  (31 GLY C)-(32 TRP N)-(32 TRP CA)-(32 TRP C) -98.0 -38.0
 &rst     iat =   491,   493,   495,   515,
   r1 = -99.0, r2 = -98.0, r3 = -38.0, r4 = -37.0,
 &end

# 32 TRP PSI:  (32 TRP N)-(32 TRP CA)-(32 TRP C)-(33 TYR N) -72.0 -12.0
 &rst     iat =   493,   495,   515,   517,
   r1 = -73.0, r2 = -72.0, r3 = -12.0, r4 = -11.0,
 &end

# 33 TYR PHI:  (32 TRP C)-(33 TYR N)-(33 TYR CA)-(33 TYR C) -93.0 -33.0
 &rst     iat =   515,   517,   519,   536,
   r1 = -94.0, r2 = -93.0, r3 = -33.0, r4 = -32.0,
 &end

# 33 TYR PSI:  (33 TYR N)-(33 TYR CA)-(33 TYR C)-(34 TYR N) -75.0 -15.0
 &rst     iat =   517,   519,   536,   538,
   r1 = -76.0, r2 = -75.0, r3 = -15.0, r4 = -14.0,
 &end

# 34 TYR PHI:  (33 TYR C)-(34 TYR N)-(34 TYR CA)-(34 TYR C) -95.0 -35.0
 &rst     iat =   536,   538,   540,   557,
   r1 = -96.0, r2 = -95.0, r3 = -35.0, r4 = -34.0,
 &end

# 34 TYR PSI:  (34 TYR N)-(34 TYR CA)-(34 TYR C)-(35 TYR N) -66.0  -6.0
 &rst     iat =   538,   540,   557,   559,
   r1 = -67.0, r2 = -66.0, r3 =  -6.0, r4 =  -5.0,
 &end

# 35 TYR PHI:  (34 TYR C)-(35 TYR N)-(35 TYR CA)-(35 TYR C) -99.0 -39.0
 &rst     iat =   557,   559,   561,   578,
   r1 = -100.0, r2 = -99.0, r3 = -39.0, r4 = -38.0,
 &end

# 35 TYR PSI:  (35 TYR N)-(35 TYR CA)-(35 TYR C)-(36 LEU N) -71.0 -11.0
 &rst     iat =   559,   561,   578,   580,
   r1 = -72.0, r2 = -71.0, r3 = -11.0, r4 = -10.0,
 &end

# 36 LEU PHI:  (35 TYR C)-(36 LEU N)-(36 LEU CA)-(36 LEU C) -97.0 -37.0
 &rst     iat =   578,   580,   582,   597,
   r1 = -98.0, r2 = -97.0, r3 = -37.0, r4 = -36.0,
 &end

# 36 LEU PSI:  (36 LEU N)-(36 LEU CA)-(36 LEU C)-(37 ASP N) -70.0 -10.0
 &rst     iat =   580,   582,   597,   599,
   r1 = -71.0, r2 = -70.0, r3 = -10.0, r4 =  -9.0,
 &end

# 37 ASP PHI:  (36 LEU C)-(37 ASP N)-(37 ASP CA)-(37 ASP C) -96.0 -36.0
 &rst     iat =   597,   599,   601,   609,
   r1 = -97.0, r2 = -96.0, r3 = -36.0, r4 = -35.0,
 &end

# 37 ASP PSI:  (37 ASP N)-(37 ASP CA)-(37 ASP C)-(38 ASP N) -61.0  -1.0
 &rst     iat =   599,   601,   609,   611,
   r1 = -62.0, r2 = -61.0, r3 =  -1.0, r4 =   0.0,
 &end

# 38 ASP PHI:  (37 ASP C)-(38 ASP N)-(38 ASP CA)-(38 ASP C) -95.0 -35.0
 &rst     iat =   609,   611,   613,   621,
   r1 = -96.0, r2 = -95.0, r3 = -35.0, r4 = -34.0,
 &end

# 38 ASP PSI:  (38 ASP N)-(38 ASP CA)-(38 ASP C)-(39 THR N) -71.0 -11.0
 &rst     iat =   611,   613,   621,   623,
   r1 = -72.0, r2 = -71.0, r3 = -11.0, r4 = -10.0,
 &end

# 39 THR PHI:  (38 ASP C)-(39 THR N)-(39 THR CA)-(39 THR C) -100.0 -40.0
 &rst     iat =   621,   623,   625,   635,
   r1 = -101.0, r2 = -100.0, r3 = -40.0, r4 = -39.0,
 &end

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

# 44 PHE PHI:  (43 PRO C)-(44 PHE N)-(44 PHE CA)-(44 PHE C) -159.0 -99.0
 &rst     iat =   703,   705,   707,   723,
   r1 = -160.0, r2 = -159.0, r3 = -99.0, r4 = -98.0,
 &end

# 44 PHE PSI:  (44 PHE N)-(44 PHE CA)-(44 PHE C)-(45 MET N) 107.0 167.0
 &rst     iat =   705,   707,   723,   725,
   r1 = 106.0, r2 = 107.0, r3 = 167.0, r4 = 168.0,
 &end

# 45 MET PHI:  (44 PHE C)-(45 MET N)-(45 MET CA)-(45 MET C) -130.0 -70.0
 &rst     iat =   723,   725,   727,   740,
   r1 = -131.0, r2 = -130.0, r3 = -70.0, r4 = -69.0,
 &end

# 45 MET PSI:  (45 MET N)-(45 MET CA)-(45 MET C)-(46 GLY N) 108.0 168.0
 &rst     iat =   725,   727,   740,   742,
   r1 = 107.0, r2 = 108.0, r3 = 168.0, r4 = 169.0,
 &end

# 47 LYS PHI:  (46 GLY C)-(47 LYS N)-(47 LYS CA)-(47 LYS C) -142.0 -82.0
 &rst     iat =   747,   749,   751,   769,
   r1 = -143.0, r2 = -142.0, r3 = -82.0, r4 = -81.0,
 &end

# 47 LYS PSI:  (47 LYS N)-(47 LYS CA)-(47 LYS C)-(48 TRP N)  88.0 148.0
 &rst     iat =   749,   751,   769,   771,
   r1 =  87.0, r2 =  88.0, r3 = 148.0, r4 = 149.0,
 &end

# 48 TRP PHI:  (47 LYS C)-(48 TRP N)-(48 TRP CA)-(48 TRP C) -142.0 -82.0
 &rst     iat =   769,   771,   773,   793,
   r1 = -143.0, r2 = -142.0, r3 = -82.0, r4 = -81.0,
 &end

# 48 TRP PSI:  (48 TRP N)-(48 TRP CA)-(48 TRP C)-(49 LYS N)  98.0 158.0
 &rst     iat =   771,   773,   793,   795,
   r1 =  97.0, r2 =  98.0, r3 = 158.0, r4 = 159.0,
 &end

# 49 LYS PHI:  (48 TRP C)-(49 LYS N)-(49 LYS CA)-(49 LYS C) -139.0 -79.0
 &rst     iat =   793,   795,   797,   815,
   r1 = -140.0, r2 = -139.0, r3 = -79.0, r4 = -78.0,
 &end

# 49 LYS PSI:  (49 LYS N)-(49 LYS CA)-(49 LYS C)-(50 LYS N)  95.0 155.0
 &rst     iat =   795,   797,   815,   817,
   r1 =  64.0, r2 =  65.0, r3 = 155.0, r4 = 156.0,
 &end

# 50 LYS PHI:  (49 LYS C)-(50 LYS N)-(50 LYS CA)-(50 LYS C) -126.0 -66.0
 &rst     iat =   815,   817,   819,   837,
   r1 = -127.0, r2 = -126.0, r3 = -36.0, r4 = -35.0,
 &end

# 50 LYS PSI:  (50 LYS N)-(50 LYS CA)-(50 LYS C)-(51 LYS N)  97.0 157.0
 &rst     iat =   817,   819,   837,   839,
   r1 =  96.0, r2 =  97.0, r3 = 157.0, r4 = 158.0,
 &end

# 57 THR PHI:  (56 SER C)-(57 THR N)-(57 THR CA)-(57 THR C) -133.0 -73.0
 &rst     iat =   941,   943,   945,   955,
   r1 = -134.0, r2 = -133.0, r3 = -73.0, r4 = -72.0,
 &end

# 57 THR PSI:  (57 THR N)-(57 THR CA)-(57 THR C)-(58 ILE N)  96.0 156.0
 &rst     iat =   943,   945,   955,   957,
   r1 =  95.0, r2 =  96.0, r3 = 186.0, r4 = 187.0,
 &end

# 59 GLU PHI:  (58 ILE C)-(59 GLU N)-(59 GLU CA)-(59 GLU C) -146.0 -86.0
 &rst     iat =   974,   976,   978,   989,
   r1 = -147.0, r2 = -146.0, r3 = -86.0, r4 = -85.0,
 &end

# 59 GLU PSI:  (59 GLU N)-(59 GLU CA)-(59 GLU C)-(60 GLU N)  97.0 157.0
 &rst     iat =   976,   978,   989,   991,
   r1 =  66.0, r2 =  67.0, r3 = 157.0, r4 = 158.0,
 &end

# 60 GLU PHI:  (59 GLU C)-(60 GLU N)-(60 GLU CA)-(60 GLU C) -128.0 -68.0
 &rst     iat =   989,   991,   993,  1004,
   r1 = -129.0, r2 = -128.0, r3 = -68.0, r4 = -67.0,
 &end

# 60 GLU PSI:  (60 GLU N)-(60 GLU CA)-(60 GLU C)-(61 LYS N) 100.0 160.0
 &rst     iat =   991,   993,  1004,  1006,
   r1 =  99.0, r2 = 100.0, r3 = 160.0, r4 = 161.0,
 &end

# 61 LYS PHI:  (60 GLU C)-(61 LYS N)-(61 LYS CA)-(61 LYS C) -151.0 -91.0
 &rst     iat =  1004,  1006,  1008,  1026,
   r1 = -152.0, r2 = -151.0, r3 = -91.0, r4 = -90.0,
 &end

# 61 LYS PSI:  (61 LYS N)-(61 LYS CA)-(61 LYS C)-(62 THR N)  95.0 155.0
 &rst     iat =  1006,  1008,  1026,  1028,
   r1 =  94.0, r2 =  95.0, r3 = 155.0, r4 = 156.0,
 &end

# 62 THR PHI:  (61 LYS C)-(62 THR N)-(62 THR CA)-(62 THR C) -122.0 -62.0
 &rst     iat =  1026,  1028,  1030,  1040,
   r1 = -123.0, r2 = -122.0, r3 = -62.0, r4 = -61.0,
 &end

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

# 63 VAL PHI:  (62 THR C)-(63 VAL N)-(63 VAL CA)-(63 VAL C) -159.0 -99.0
 &rst     iat =  1040,  1042,  1044,  1056,
   r1 = -160.0, r2 = -159.0, r3 = -99.0, r4 = -98.0,
 &end

# 63 VAL PSI:  (63 VAL N)-(63 VAL CA)-(63 VAL C)-(64 GLU N) 122.0 182.0
 &rst     iat =  1042,  1044,  1056,  1058,
   r1 = 121.0, r2 = 122.0, r3 = 182.0, r4 = 183.0,
 &end

# 64 GLU PHI:  (63 VAL C)-(64 GLU N)-(64 GLU CA)-(64 GLU C) -151.0 -91.0
 &rst     iat =  1056,  1058,  1060,  1071,
   r1 = -152.0, r2 = -151.0, r3 = -91.0, r4 = -90.0,
 &end

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

# 65 VAL PHI:  (64 GLU C)-(65 VAL N)-(65 VAL CA)-(65 VAL C) -121.0 -61.0
 &rst     iat =  1071,  1073,  1075,  1087,
   r1 = -122.0, r2 = -121.0, r3 = -61.0, r4 = -60.0,
 &end

# 65 VAL PSI:  (65 VAL N)-(65 VAL CA)-(65 VAL C)-(66 LEU N)  86.0 146.0
 &rst     iat =  1073,  1075,  1087,  1089,
   r1 =  85.0, r2 =  86.0, r3 = 146.0, r4 = 147.0,
 &end

# 71 ASP PHI:  (70 PRO C)-(71 ASP N)-(71 ASP CA)-(71 ASP C) -91.0 -31.0
 &rst     iat =  1154,  1156,  1158,  1166,
   r1 = -92.0, r2 = -91.0, r3 = -31.0, r4 = -30.0,
 &end

# 71 ASP PSI:  (71 ASP N)-(71 ASP CA)-(71 ASP C)-(72 ASP N) -64.0  -4.0
 &rst     iat =  1156,  1158,  1166,  1168,
   r1 = -65.0, r2 = -64.0, r3 =  -4.0, r4 =  -3.0,
 &end

# 72 ASP PHI:  (71 ASP C)-(72 ASP N)-(72 ASP CA)-(72 ASP C) -100.0 -40.0
 &rst     iat =  1166,  1168,  1170,  1178,
   r1 = -101.0, r2 = -100.0, r3 = -40.0, r4 = -39.0,
 &end

# 72 ASP PSI:  (72 ASP N)-(72 ASP CA)-(72 ASP C)-(73 GLU N) -65.0  -5.0
 &rst     iat =  1168,  1170,  1178,  1180,
   r1 = -66.0, r2 = -65.0, r3 =  -5.0, r4 =  -4.0,
 &end

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

# 78 MET PSI:  (78 MET N)-(78 MET CA)-(78 MET C)-(79 TYR N)  99.0 159.0
 &rst     iat =  1259,  1261,  1274,  1276,
   r1 =  98.0, r2 =  99.0, r3 = 159.0, r4 = 160.0,
 &end

# 79 TYR PHI:  (78 MET C)-(79 TYR N)-(79 TYR CA)-(79 TYR C) -143.0 -83.0
 &rst     iat =  1274,  1276,  1278,  1295,
   r1 = -144.0, r2 = -143.0, r3 = -83.0, r4 = -82.0,
 &end

# 79 TYR PSI:  (79 TYR N)-(79 TYR CA)-(79 TYR C)-(80 VAL N)  98.0 158.0
 &rst     iat =  1276,  1278,  1295,  1297,
   r1 =  97.0, r2 =  98.0, r3 = 158.0, r4 = 159.0,
 &end

# 80 VAL PHI:  (79 TYR C)-(80 VAL N)-(80 VAL CA)-(80 VAL C) -158.0 -98.0
 &rst     iat =  1295,  1297,  1299,  1311,
   r1 = -159.0, r2 = -158.0, r3 = -98.0, r4 = -97.0,
 &end

# 80 VAL PSI:  (80 VAL N)-(80 VAL CA)-(80 VAL C)-(81 GLU N) 115.0 175.0
 &rst     iat =  1297,  1299,  1311,  1313,
   r1 = 114.0, r2 = 115.0, r3 = 175.0, r4 = 176.0,
 &end

# 81 GLU PHI:  (80 VAL C)-(81 GLU N)-(81 GLU CA)-(81 GLU C) -138.0 -78.0
 &rst     iat =  1311,  1313,  1315,  1326,
   r1 = -139.0, r2 = -138.0, r3 = -78.0, r4 = -77.0,
 &end

# 81 GLU PSI:  (81 GLU N)-(81 GLU CA)-(81 GLU C)-(82 VAL N) 110.0 170.0
 &rst     iat =  1313,  1315,  1326,  1328,
   r1 = 109.0, r2 = 110.0, r3 = 170.0, r4 = 171.0,
 &end

# 82 VAL PHI:  (81 GLU C)-(82 VAL N)-(82 VAL CA)-(82 VAL C) -167.0 -107.0
 &rst     iat =  1326,  1328,  1330,  1342,
   r1 = -168.0, r2 = -167.0, r3 = -107.0, r4 = -106.0,
 &end

# 82 VAL PSI:  (82 VAL N)-(82 VAL CA)-(82 VAL C)-(83 ALA N) 119.0 179.0
 &rst     iat =  1328,  1330,  1342,  1344,
   r1 = 118.0, r2 = 119.0, r3 = 179.0, r4 = 180.0,
 &end

# 83 ALA PHI:  (82 VAL C)-(83 ALA N)-(83 ALA CA)-(83 ALA C) -148.0 -88.0
 &rst     iat =  1342,  1344,  1346,  1352,
   r1 = -149.0, r2 = -148.0, r3 = -88.0, r4 = -87.0,
 &end

# 83 ALA PSI:  (83 ALA N)-(83 ALA CA)-(83 ALA C)-(84 ASP N)  97.0 157.0
 &rst     iat =  1344,  1346,  1352,  1354,
   r1 =  96.0, r2 =  97.0, r3 = 157.0, r4 = 158.0,
 &end

# 84 ASP PHI:  (83 ALA C)-(84 ASP N)-(84 ASP CA)-(84 ASP C) -113.0 -53.0
 &rst     iat =  1352,  1354,  1356,  1364,
   r1 = -114.0, r2 = -113.0, r3 = -53.0, r4 = -52.0,
 &end

# 84 ASP PSI:  (84 ASP N)-(84 ASP CA)-(84 ASP C)-(85 ILE N)  90.0 150.0
 &rst     iat =  1354,  1356,  1364,  1366,
   r1 =  89.0, r2 =  90.0, r3 = 150.0, r4 = 151.0,
 &end

# 91 ASP PHI:  (90 ASP C)-(91 ASP N)-(91 ASP CA)-(91 ASP C) -134.0 -74.0
 &rst     iat =  1443,  1445,  1447,  1455,
   r1 = -165.0, r2 = -164.0, r3 = -44.0, r4 = -43.0,
 &end

# 91 ASP PSI:  (91 ASP N)-(91 ASP CA)-(91 ASP C)-(92 VAL N)  93.0 153.0
 &rst     iat =  1445,  1447,  1455,  1457,
   r1 =  62.0, r2 =  63.0, r3 = 183.0, r4 = 184.0,
 &end

# 92 VAL PHI:  (91 ASP C)-(92 VAL N)-(92 VAL CA)-(92 VAL C) -138.0 -78.0
 &rst     iat =  1455,  1457,  1459,  1471,
   r1 = -139.0, r2 = -138.0, r3 = -48.0, r4 = -47.0,
 &end

# 92 VAL PSI:  (92 VAL N)-(92 VAL CA)-(92 VAL C)-(93 TYR N) 109.0 169.0
 &rst     iat =  1457,  1459,  1471,  1473,
   r1 = 108.0, r2 = 109.0, r3 = 169.0, r4 = 170.0,
 &end

# 93 TYR PHI:  (92 VAL C)-(93 TYR N)-(93 TYR CA)-(93 TYR C) -142.0 -82.0
 &rst     iat =  1471,  1473,  1475,  1492,
   r1 = -143.0, r2 = -142.0, r3 = -82.0, r4 = -81.0,
 &end

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

# 94 THR PHI:  (93 TYR C)-(94 THR N)-(94 THR CA)-(94 THR C) -129.0 -69.0
 &rst     iat =  1492,  1494,  1496,  1506,
   r1 = -130.0, r2 = -129.0, r3 = -69.0, r4 = -68.0,
 &end

# 94 THR PSI:  (94 THR N)-(94 THR CA)-(94 THR C)-(95 ALA N) 100.0 160.0
 &rst     iat =  1494,  1496,  1506,  1508,
   r1 =  69.0, r2 = 70.0, r3 = 160.0, r4 = 161.0,
 &end

# 95 ALA PHI:  (94 THR C)-(95 ALA N)-(95 ALA CA)-(95 ALA C) -136.0 -76.0
 &rst     iat =  1506,  1508,  1510,  1516,
   r1 = -137.0, r2 = -136.0, r3 = -76.0, r4 = -75.0,
 &end

# 95 ALA PSI:  (95 ALA N)-(95 ALA CA)-(95 ALA C)-(96 LYS N) 117.0 177.0
 &rst     iat =  1508,  1510,  1516,  1518,
   r1 = 116.0, r2 = 117.0, r3 = 177.0, r4 = 178.0,
 &end

# 97 LEU PHI:  (96 LYS C)-(97 LEU N)-(97 LEU CA)-(97 LEU C) -96.0 -36.0
 &rst     iat =  1538,  1540,  1542,  1557,
   r1 = -97.0, r2 = -96.0, r3 = -36.0, r4 = -35.0,
 &end

# 97 LEU PSI:  (97 LEU N)-(97 LEU CA)-(97 LEU C)-(98 SER N) -58.0   2.0
 &rst     iat =  1540,  1542,  1557,  1559,
   r1 = -59.0, r2 = -58.0, r3 =   2.0, r4 =   3.0,
 &end

# 100 ILE PHI:  (99 ASP C)-(100 ILE N)-(100 ILE CA)-(100 ILE C) -143.0 -83.0
 &rst     iat =  1580,  1582,  1584,  1599,
   r1 = -144.0, r2 = -143.0, r3 = -83.0, r4 = -82.0,
 &end

# 100 ILE PSI:  (100 ILE N)-(100 ILE CA)-(100 ILE C)-(101 GLU N) 102.0 162.0
 &rst     iat =  1582,  1584,  1599,  1601,
   r1 = 101.0, r2 = 102.0, r3 = 162.0, r4 = 163.0,
 &end

# 101 GLU PHI:  (100 ILE C)-(101 GLU N)-(101 GLU CA)-(101 GLU C) -149.0 -89.0
 &rst     iat =  1599,  1601,  1603,  1614,
   r1 = -150.0, r2 = -149.0, r3 = -89.0, r4 = -88.0,
 &end

# 101 GLU PSI:  (101 GLU N)-(101 GLU CA)-(101 GLU C)-(102 ALA N) 100.0 160.0
 &rst     iat =  1601,  1603,  1614,  1616,
   r1 =  99.0, r2 = 100.0, r3 = 160.0, r4 = 161.0,
 &end

# 102 ALA PHI:  (101 GLU C)-(102 ALA N)-(102 ALA CA)-(102 ALA C) -135.0 -75.0
 &rst     iat =  1614,  1616,  1618,  1624,
   r1 = -136.0, r2 = -135.0, r3 = -75.0, r4 = -74.0,
 &end

# 102 ALA PSI:  (102 ALA N)-(102 ALA CA)-(102 ALA C)-(103 ILE N)  99.0 159.0
 &rst     iat =  1616,  1618,  1624,  1626,
   r1 =  98.0, r2 =  99.0, r3 = 159.0, r4 = 160.0,
 &end

# 103 ILE PHI:  (102 ALA C)-(103 ILE N)-(103 ILE CA)-(103 ILE C) -133.0 -73.0
 &rst     iat =  1624,  1626,  1628,  1643,
   r1 = -134.0, r2 = -133.0, r3 = -73.0, r4 = -72.0,
 &end

# 103 ILE PSI:  (103 ILE N)-(103 ILE CA)-(103 ILE C)-(104 ASP N) 111.0 171.0
 &rst     iat =  1626,  1628,  1643,  1645,
   r1 = 110.0, r2 = 111.0, r3 = 171.0, r4 = 172.0,
 &end

# 107 ASP PHI:  (106 ASP C)-(107 ASP N)-(107 ASP CA)-(107 ASP C) -92.0 -32.0
 &rst     iat =  1683,  1685,  1687,  1695,
   r1 = -93.0, r2 = -92.0, r3 = -32.0, r4 = -31.0,
 &end

# 107 ASP PSI:  (107 ASP N)-(107 ASP CA)-(107 ASP C)-(108 ASP N) -69.0  -9.0
 &rst     iat =  1685,  1687,  1695,  1697,
   r1 = -70.0, r2 = -69.0, r3 =  -9.0, r4 =  -8.0,
 &end

# 108 ASP PHI:  (107 ASP C)-(108 ASP N)-(108 ASP CA)-(108 ASP C) -92.0 -32.0
 &rst     iat =  1695,  1697,  1699,  1707,
   r1 = -93.0, r2 = -92.0, r3 = -32.0, r4 = -31.0,
 &end

# 108 ASP PSI:  (108 ASP N)-(108 ASP CA)-(108 ASP C)-(109 THR N) -70.0 -10.0
 &rst     iat =  1697,  1699,  1707,  1709,
   r1 = -71.0, r2 = -70.0, r3 = -10.0, r4 =  -9.0,
 &end

# 109 THR PHI:  (108 ASP C)-(109 THR N)-(109 THR CA)-(109 THR C) -97.0 -37.0
 &rst     iat =  1707,  1709,  1711,  1721,
   r1 = -98.0, r2 = -97.0, r3 = -37.0, r4 = -36.0,
 &end

# 109 THR PSI:  (109 THR N)-(109 THR CA)-(109 THR C)-(110 GLN N) -72.0 -12.0
 &rst     iat =  1709,  1711,  1721,  1723,
   r1 = -73.0, r2 = -72.0, r3 = -12.0, r4 = -11.0,
 &end

# 110 GLN PHI:  (109 THR C)-(110 GLN N)-(110 GLN CA)-(110 GLN C) -92.0 -32.0
 &rst     iat =  1721,  1723,  1725,  1738,
   r1 = -93.0, r2 = -92.0, r3 = -32.0, r4 = -31.0,
 &end

# 110 GLN PSI:  (110 GLN N)-(110 GLN CA)-(110 GLN C)-(111 GLU N) -71.0 -11.0
 &rst     iat =  1723,  1725,  1738,  1740,
   r1 = -72.0, r2 = -71.0, r3 = -11.0, r4 = -10.0,
 &end

# 111 GLU PHI:  (110 GLN C)-(111 GLU N)-(111 GLU CA)-(111 GLU C) -95.0 -35.0
 &rst     iat =  1738,  1740,  1742,  1753,
   r1 = -96.0, r2 = -95.0, r3 = -35.0, r4 = -34.0,
 &end

# 111 GLU PSI:  (111 GLU N)-(111 GLU CA)-(111 GLU C)-(112 ALA N) -67.0  -7.0
 &rst     iat =  1740,  1742,  1753,  1755,
   r1 = -68.0, r2 = -67.0, r3 =  -7.0, r4 =  -6.0,
 &end

# 112 ALA PHI:  (111 GLU C)-(112 ALA N)-(112 ALA CA)-(112 ALA C) -92.0 -32.0
 &rst     iat =  1753,  1755,  1757,  1763,
   r1 = -93.0, r2 = -92.0, r3 = -32.0, r4 = -31.0,
 &end

# 112 ALA PSI:  (112 ALA N)-(112 ALA CA)-(112 ALA C)-(113 ILE N) -70.0 -10.0
 &rst     iat =  1755,  1757,  1763,  1765,
   r1 = -71.0, r2 = -70.0, r3 = -10.0, r4 =  -9.0,
 &end

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

# 113 ILE PSI:  (113 ILE N)-(113 ILE CA)-(113 ILE C)-(114 ALA N) -73.0 -13.0
 &rst     iat =  1765,  1767,  1782,  1784,
   r1 = -74.0, r2 = -73.0, r3 = -13.0, r4 = -12.0,
 &end

# 114 ALA PHI:  (113 ILE C)-(114 ALA N)-(114 ALA CA)-(114 ALA C) -95.0 -35.0
 &rst     iat =  1782,  1784,  1786,  1792,
   r1 = -96.0, r2 = -95.0, r3 = -35.0, r4 = -34.0,
 &end

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

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

# 115 ASP PSI:  (115 ASP N)-(115 ASP CA)-(115 ASP C)-(116 TRP N) -63.0  -3.0
 &rst     iat =  1794,  1796,  1804,  1806,
   r1 = -64.0, r2 = -63.0, r3 =  -3.0, r4 =  -2.0,
 &end

# 116 TRP PHI:  (115 ASP C)-(116 TRP N)-(116 TRP CA)-(116 TRP C) -97.0 -37.0
 &rst     iat =  1804,  1806,  1808,  1828,
   r1 = -98.0, r2 = -97.0, r3 = -37.0, r4 = -36.0,
 &end

# 116 TRP PSI:  (116 TRP N)-(116 TRP CA)-(116 TRP C)-(117 LEU N) -66.0  -6.0
 &rst     iat =  1806,  1808,  1828,  1830,
   r1 = -67.0, r2 = -66.0, r3 =  -6.0, r4 =  -5.0,
 &end

# 117 LEU PHI:  (116 TRP C)-(117 LEU N)-(117 LEU CA)-(117 LEU C) -97.0 -37.0
 &rst     iat =  1828,  1830,  1832,  1847,
   r1 = -98.0, r2 = -97.0, r3 = -37.0, r4 = -36.0,
 &end

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

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

# 118 TYR PSI:  (118 TYR N)-(118 TYR CA)-(118 TYR C)-(119 TRP N) -72.0 -12.0
 &rst     iat =  1849,  1851,  1868,  1870,
   r1 = -73.0, r2 = -72.0, r3 = -12.0, r4 = -11.0,
 &end

# 119 TRP PHI:  (118 TYR C)-(119 TRP N)-(119 TRP CA)-(119 TRP C) -94.0 -34.0
 &rst     iat =  1868,  1870,  1872,  1892,
   r1 = -95.0, r2 = -94.0, r3 = -34.0, r4 = -33.0,
 &end

# 119 TRP PSI:  (119 TRP N)-(119 TRP CA)-(119 TRP C)-(120 LEU N) -74.0 -14.0
 &rst     iat =  1870,  1872,  1892,  1894,
   r1 = -75.0, r2 = -74.0, r3 = -14.0, r4 = -13.0,
 &end

# 120 LEU PHI:  (119 TRP C)-(120 LEU N)-(120 LEU CA)-(120 LEU C) -96.0 -36.0
 &rst     iat =  1892,  1894,  1896,  1911,
   r1 = -97.0, r2 = -96.0, r3 = -36.0, r4 = -35.0,
 &end

# 120 LEU PSI:  (120 LEU N)-(120 LEU CA)-(120 LEU C)-(121 ALA N) -64.0  -4.0
 &rst     iat =  1894,  1896,  1911,  1913,
   r1 = -65.0, r2 = -64.0, r3 =  -4.0, r4 =  -3.0,
 &end

# 121 ALA PHI:  (120 LEU C)-(121 ALA N)-(121 ALA CA)-(121 ALA C) -97.0 -37.0
 &rst     iat =  1911,  1913,  1915,  1921,
   r1 = -98.0, r2 = -97.0, r3 = -37.0, r4 = -36.0,
 &end

# 121 ALA PSI:  (121 ALA N)-(121 ALA CA)-(121 ALA C)-(122 ARG N) -61.0  -1.0
 &rst     iat =  1913,  1915,  1921,  1923,
   r1 = -62.0, r2 = -61.0, r3 =  -1.0, r4 =   0.0,
 &end

# 122 ARG PHI:  (121 ALA C)-(122 ARG N)-(122 ARG CA)-(122 ARG C) -107.0 -47.0
 &rst     iat =  1921,  1923,  1925,  1945,
   r1 = -108.0, r2 = -107.0, r3 = -47.0, r4 = -46.0,
 &end

# 122 ARG PSI:  (122 ARG N)-(122 ARG CA)-(122 ARG C)-(123 GLY N) -39.0  21.0
 &rst     iat =  1923,  1925,  1945,  1947,
   r1 = -40.0, r2 = -39.0, r3 =  21.0, r4 =  22.0,
 &end

#
# 9 THR O 13 ARG HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 136, 194, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, 
      rk2=40.0, rk3=40.0, ir6=1, ialtd=0,
 &end
#
# 9 THR O 13 ARG N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 136, 193, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 10 ARG O 14 ILE HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 160, 218, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 10 ARG O 14 ILE N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 160, 217, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 11 GLU O 15 GLU HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 175, 237, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 11 GLU O 15 GLU N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 175, 236, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 12 HIS O 16 THR HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 192, 252, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 12 HIS O 16 THR N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 192, 251, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 26 GLU O 30 MET HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 470, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 26 GLU O 30 MET N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 469, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 27 GLU O 31 GLY HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 434, 487, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 27 GLU O 31 GLY N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 434, 486, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 28 ARG O 32 TRP HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 458, 494, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 28 ARG O 32 TRP N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 458, 493, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 29 ALA O 33 TYR HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 468, 518, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 29 ALA O 33 TYR N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 468, 517, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 30 MET O 34 TYR HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 485, 539, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 30 MET O 34 TYR N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 485, 538, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 31 GLY O 35 TYR HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 492, 560, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 31 GLY O 35 TYR N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 492, 559, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 32 TRP O 36 LEU HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 516, 581, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 32 TRP O 36 LEU N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 516, 580, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 33 TYR O 37 ASP HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 537, 600, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 33 TYR O 37 ASP N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 537, 599, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 34 TYR O 38 ASP HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 558, 612, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 34 TYR O 38 ASP N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 558, 611, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 35 TYR O 39 THR HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 579, 624, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 35 TYR O 39 THR N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 579, 623, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 36 LEU O 40 LEU HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 598, 638, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 36 LEU O 40 LEU N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 598, 637, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 108 ASP O 112 ALA HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1708,1756, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 108 ASP O 112 ALA N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1708,1755, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 109 THR O 113 ILE HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1722,1766, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 109 THR O 113 ILE N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1722,1765, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 110 GLN O 114 ALA HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1739,1785, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 110 GLN O 114 ALA N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1739,1784, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 111 GLU O 115 ASP HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1754,1795, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 111 GLU O 115 ASP N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1754,1794, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 112 ALA O 116 TRP HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1764,1807, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 112 ALA O 116 TRP N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1764,1806, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 113 ILE O 117 LEU HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1783,1831, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 113 ILE O 117 LEU N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1783,1830, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 114 ALA O 118 TYR HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1793,1850, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 114 ALA O 118 TYR N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1793,1849, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 115 ASP O 119 TRP HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1805,1871, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 115 ASP O 119 TRP N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1805,1870, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 116 TRP O 120 LEU HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1829,1895, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 116 TRP O 120 LEU N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1829,1894, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 117 LEU O 121 ALA HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1848,1914, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 117 LEU O 121 ALA N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1848,1913, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 118 TYR O 122 ARG HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1869,1924, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 118 TYR O 122 ARG N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1869,1923, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 65 VAL O 44 PHE HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1088, 706, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 65 VAL O 44 PHE N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1088, 705, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 45 MET O 103 ILE  HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 741,1627, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 45 MET O 103 ILE N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 741,1626, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 63 VAL O 46 GLY  HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1057, 743, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 63 VAL O 46 GLY N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1057, 742, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 47 LYS O 101 GLU HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 770,1602, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 47 LYS O 101 GLU N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 770,1601, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 61 LYS O 48 TRP  HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1027, 772, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 61 LYS O 48 TRP N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1027, 771, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 59 GLU O 50 LYS HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 990, 818, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 59 GLU O 50 LYS N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 990, 817, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 83 ALA O 64 GLU  HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1353,1059, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 83 ALA O 64 GLU N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1353,1058, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 93 TYR O 82 VAL HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1493,1329, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 93 TYR O 82 VAL N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1493,1328, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 82 VAL O 93 TYR HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1343,1474, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 82 VAL O 93 TYR N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1343,1473, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 95 ALA O 80 VAL HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1517,1298, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 95 ALA O 80 VAL N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1517,1297, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 44 PHE O 65 VAL HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 724,1074, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 44 PHE O 65 VAL N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 724,1073, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 46 GLY O 63 VAL HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 748,1043, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 46 GLY O 63 VAL N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 748,1042, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 101 GLU O 47 LYS HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1615, 750, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 101 GLU O 47 LYS N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1615, 749, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 48 TRP O 61 LYS HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 794,1007, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 48 TRP O 61 LYS N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 794,1006, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 80 VAL O 95 ALA HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1312,1509, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 80 VAL O 95 ALA N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1312,1508, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 64 GLU O 83 ALA HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1072,1345, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 64 GLU O 83 ALA N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1072,1344, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
#  126 PHE  HN          119 TRP  HE1         5.00    (#      1:10        Unique  5.00, 5.13 A)
 &rst
  ixpk= 1, nxpk= 10, iat=1998,1881, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
#    0 AMB  10-2:2      119 TRP  HE1         4.60    (#      2:10        Single  0.00, 0.00  )
 &rst
  ixpk= 2, nxpk= 10, iat=  -1,1881, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1=2006,2014, 507,
 &end
#
#  119 TRP  HZ2         119 TRP  HE1         3.00    (#      4:10        Unique  2.82, 2.82 A)
 &rst
  ixpk= 4, nxpk= 10, iat=1884,1881, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  124 TYR  HE          119 TRP  HE1         4.00    (#      5:10        Unique  2.05, 5.02 A)
 &rst
  ixpk= 5, nxpk= 10, iat=  -1,1881, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1965,1970,
 &end
#
#  119 TRP  HD1         119 TRP  HE1         3.00    (#      6:10        Unique  2.57, 2.57 A)
 &rst
  ixpk= 6, nxpk= 10, iat=1879,1881, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:9      119 TRP  HE1         5.00    (#      9:10        Single  0.00, 0.00  )
 &rst
  ixpk= 9, nxpk= 10, iat=  -1,1881, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
      1909,1910,
 &end
#
#  102 ALA  HA          102 ALA  HN          3.50    (#     14:10        Unique  2.74, 2.85 A)
 &rst
  ixpk= 14, nxpk= 10, iat=1619,1617, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  101 GLU  HG+         102 ALA  HN          4.00    (#     15:10        Unique  1.90, 3.62 A)
 &rst
  ixpk= 15, nxpk= 10, iat=  -1,1617, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1609,1610,
 &end
#
#  101 GLU  HB+         102 ALA  HN          4.80    (#     16:10        Unique  3.19, 4.00 A)
 &rst
  ixpk= 16, nxpk= 10, iat=  -1,1617, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1606,1607,
 &end
#
#  101 GLU  HB-         102 ALA  HN          4.00    (#     17:10        Unique  3.19, 4.00 A)
 &rst
  ixpk= 17, nxpk= 10, iat=  -1,1617, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1606,1607,
 &end
#
#  102 ALA  MB          102 ALA  HN          3.00    (#     18:10        Unique  2.26, 2.98 A)
 &rst
  ixpk= 18, nxpk= 10, iat=  -1,1617, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1621,1622,1623,
 &end
#
#  113 ILE  QG2         102 ALA  HN          5.00    (#     19:10        Unique  2.83, 4.88 A)
 &rst
  ixpk= 19, nxpk= 10, iat=  -1,1617, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1772,1773,1774,
 &end
#
#  113 ILE  QD1         102 ALA  HN          5.00    (#     20:10        Unique  3.48, 4.73 A)
 &rst
  ixpk= 20, nxpk= 10, iat=  -1,1617, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1779,1780,1781,
 &end
#
#   96 LYS  HN           48 TRP  HE1         4.00    (#     21:10        Unique  4.85, 5.02 A)
 &rst
  ixpk= 21, nxpk= 10, iat=1519, 782, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   48 TRP  HZ2          48 TRP  HE1         3.00    (#     22:10        Unique  2.82, 2.82 A)
 &rst
  ixpk= 22, nxpk= 10, iat= 785, 782, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   48 TRP  HD1          48 TRP  HE1         3.00    (#     23:10        Unique  2.57, 2.57 A)
 &rst
  ixpk= 23, nxpk= 10, iat= 780, 782, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   99 ASP  HB+          48 TRP  HE1         3.50    (#     25:10        Unique  2.11, 2.82 A)
 &rst
  ixpk= 25, nxpk= 10, iat=  -1, 782, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1575,1576,
 &end
#
#   99 ASP  HB-          48 TRP  HE1         3.50    (#     26:10        Unique  2.11, 2.82 A)
 &rst
  ixpk= 26, nxpk= 10, iat=  -1, 782, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1575,1576,
 &end
#
#    0 AMB  10-2:27      48 TRP  HE1         6.50    (#     27:10        Single  0.00, 0.00  )
 &rst
  ixpk= 27, nxpk= 10, iat=  -1, 782, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
 igr1=1596,1597,1598,1513,1514,1515,
 &end
#
#   48 TRP  HD1          49 LYS  HN          3.00    (#     30:10        Unique  2.77, 2.92 A)
 &rst
  ixpk= 30, nxpk= 10, iat= 780, 796, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   48 TRP  HA           49 LYS  HN          3.00    (#     31:10        Unique  2.20, 2.21 A)
 &rst
  ixpk= 31, nxpk= 10, iat= 774, 796, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  100 ILE  HA           49 LYS  HN          3.00    (#     32:10        Unique  2.30, 2.53 A)
 &rst
  ixpk= 32, nxpk= 10, iat=1585, 796, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   49 LYS  HA           49 LYS  HN          3.50    (#     33:10        Unique  2.83, 2.84 A)
 &rst
  ixpk= 33, nxpk= 10, iat= 798, 796, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   99 ASP  HB+          49 LYS  HN          5.50    (#     34:10        Unique  3.80, 5.04 A)
 &rst
  ixpk= 34, nxpk= 10, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1575,1576,
 &end
#
#   99 ASP  HB-          49 LYS  HN          4.00    (#     35:10        Unique  3.80, 5.04 A)
 &rst
  ixpk= 35, nxpk= 10, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1575,1576,
 &end
#
#   48 TRP  HB-          49 LYS  HN          5.00    (#     36:10        Unique  4.31, 4.48 A)
 &rst
  ixpk= 36, nxpk= 10, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 776, 777,
 &end
#
#   49 LYS  HB+          49 LYS  HN          3.00    (#     37:10        Unique  2.73, 3.17 A)
 &rst
  ixpk= 37, nxpk= 10, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 800, 801,
 &end
#
#   49 LYS  HB-          49 LYS  HN          3.80    (#     38:10        Unique  2.73, 3.17 A)
 &rst
  ixpk= 38, nxpk= 10, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1= 800, 801,
 &end
#
#   49 LYS  HG+          49 LYS  HN          4.00    (#     39:10        Unique  1.60, 2.62 A)
 &rst
  ixpk= 39, nxpk= 10, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 803, 804,
 &end
#
#   49 LYS  HG-          49 LYS  HN          3.00    (#     40:10        Unique  1.60, 2.62 A)
 &rst
  ixpk= 40, nxpk= 10, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 803, 804,
 &end
#
#    0 AMB  10-2:41      49 LYS  HN          5.00    (#     41:10        Single  0.00, 0.00  )
 &rst
  ixpk= 41, nxpk= 10, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 964, 965, 966,1589,1590,1591, 822, 823,
 &end
#
#  100 ILE  QD1          49 LYS  HN          4.00    (#     42:10        Unique  3.84, 5.80 A)
 &rst
  ixpk= 42, nxpk= 10, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1596,1597,1598,
 &end
#
#   48 TRP  HB+          49 LYS  HN          5.00    (#     43:10        Unique  4.31, 4.48 A)
 &rst
  ixpk= 43, nxpk= 10, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 776, 777,
 &end
#
#   80 VAL  HN           95 ALA  HN          5.00    (#     44:10        Unique  1.98, 2.28 A)
 &rst
  ixpk= 44, nxpk= 10, iat=1298,1509, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   82 VAL  HN           95 ALA  HN          6.00    (#     46:10        Unique  3.64, 4.07 A)
 &rst
  ixpk= 46, nxpk= 10, iat=1329,1509, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:47      95 ALA  HN          6.00    (#     47:10        Single  0.00, 0.00  )
 &rst
  ixpk= 47, nxpk= 10, iat=  -1,1509, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1495,1314,
 &end
#
#   79 TYR  HD           95 ALA  HN          6.50    (#     48:10        Unique  3.36, 4.97 A)
 &rst
  ixpk= 48, nxpk= 10, iat=  -1,1509, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr1=1285,1294,
 &end
#
#   94 THR  HA           95 ALA  HN          4.50    (#     49:10        Unique  2.14, 2.15 A)
 &rst
  ixpk= 49, nxpk= 10, iat=1497,1509, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   81 GLU  HA           95 ALA  HN          6.00    (#     50:10        Unique  3.65, 3.97 A)
 &rst
  ixpk= 50, nxpk= 10, iat=1316,1509, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   95 ALA  HA           95 ALA  HN          5.50    (#     51:10        Unique  2.67, 2.73 A)
 &rst
  ixpk= 51, nxpk= 10, iat=1511,1509, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   94 THR  HB           95 ALA  HN          6.00    (#     52:10        Unique  3.92, 4.03 A)
 &rst
  ixpk= 52, nxpk= 10, iat=1499,1509, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   80 VAL  MGX          95 ALA  HN          6.00    (#     54:10        Unique  2.71, 4.84 A)
 &rst
  ixpk= 54, nxpk= 10, iat=  -1,1509, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1304,1305,1306,1308,1309,1310,
 &end
#
#   95 ALA  MB           95 ALA  HN          5.50    (#     55:10        Unique  3.14, 3.69 A)
 &rst
  ixpk= 55, nxpk= 10, iat=  -1,1509, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1513,1514,1515,
 &end
#
#   82 VAL  MGX          95 ALA  HN          6.50    (#     56:10        Unique  3.64, 5.60 A)
 &rst
  ixpk= 56, nxpk= 10, iat=  -1,1509, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
 igr1=1335,1336,1337,1339,1340,1341,
 &end
#
#   50 LYS  HN           59 GLU  HN          4.00    (#     59:10        Unique  2.98, 3.32 A)
 &rst
  ixpk= 59, nxpk= 10, iat= 818, 977, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   59 GLU  HG-          59 GLU  HN          4.20    (#     61:10        Unique  3.11, 3.60 A)
 &rst
  ixpk= 61, nxpk= 10, iat=  -1, 977, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 984, 985,
 &end
#
#   58 ILE  HG1-         59 GLU  HN          5.00    (#     62:10        Unique  4.12, 4.97 A)
 &rst
  ixpk= 62, nxpk= 10, iat=  -1, 977, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 968, 969,
 &end
#
#    0 AMB  10-2:63      59 GLU  HN          4.00    (#     63:10        Single  0.00, 0.00  )
 &rst
  ixpk= 63, nxpk= 10, iat=  -1, 977, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1= 822, 823, 964, 965, 966,
 &end
#
#   59 GLU  HA           59 GLU  HN          3.50    (#     65:10        Unique  2.89, 2.92 A)
 &rst
  ixpk= 65, nxpk= 10, iat= 979, 977, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   58 ILE  HA           59 GLU  HN          2.80    (#     66:10        Unique  2.14, 2.15 A)
 &rst
  ixpk= 66, nxpk= 10, iat= 960, 977, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   59 GLU  HG+          59 GLU  HN          4.50    (#     67:10        Unique  3.11, 3.60 A)
 &rst
  ixpk= 67, nxpk= 10, iat=  -1, 977, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 984, 985,
 &end
#
#    0 AMB  10-2:68      59 GLU  HN          5.00    (#     68:10        Single  0.00, 0.00  )
 &rst
  ixpk= 68, nxpk= 10, iat=  -1, 977, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 844, 845, 962,
 &end
#
#   50 LYS  HB+          59 GLU  HN          4.50    (#     69:10        Unique  2.61, 3.62 A)
 &rst
  ixpk= 69, nxpk= 10, iat=  -1, 977, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 822, 823,
 &end
#
#    0 AMB  10-2:70      59 GLU  HN          5.00    (#     70:10        Single  0.00, 0.00  )
 &rst
  ixpk= 70, nxpk= 10, iat=  -1, 977, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 968, 969, 828, 829,
 &end
#
#    0 AMB  10-2:73     101 GLU  HN          4.80    (#     73:10        Single  0.00, 0.00  )
 &rst
  ixpk= 73, nxpk= 10, iat=  -1,1602, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1=1587,1609,1610,
 &end
#
#   47 LYS  HB-         101 GLU  HN          4.00    (#     74:10        Unique  3.22, 3.66 A)
 &rst
  ixpk= 74, nxpk= 10, iat=  -1,1602, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 754, 755,
 &end
#
#  100 ILE  QD1         101 GLU  HN          4.00    (#     75:10        Unique  2.18, 4.23 A)
 &rst
  ixpk= 75, nxpk= 10, iat=  -1,1602, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1596,1597,1598,
 &end
#
#  100 ILE  HN          101 GLU  HN          5.00    (#     76:10        Unique  4.39, 4.41 A)
 &rst
  ixpk= 76, nxpk= 10, iat=1583,1602, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   48 TRP  HA          101 GLU  HN          4.00    (#     77:10        Unique  3.28, 3.44 A)
 &rst
  ixpk= 77, nxpk= 10, iat= 774,1602, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  100 ILE  HA          101 GLU  HN          3.00    (#     78:10        Unique  2.35, 2.37 A)
 &rst
  ixpk= 78, nxpk= 10, iat=1585,1602, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  101 GLU  HB+         101 GLU  HN          3.00    (#     79:10        Unique  2.55, 2.84 A)
 &rst
  ixpk= 79, nxpk= 10, iat=  -1,1602, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1606,1607,
 &end
#
#  101 GLU  HB-         101 GLU  HN          3.00    (#     80:10        Unique  2.55, 2.84 A)
 &rst
  ixpk= 80, nxpk= 10, iat=  -1,1602, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1606,1607,
 &end
#
#   47 LYS  HB+         101 GLU  HN          4.50    (#     81:10        Unique  3.22, 3.66 A)
 &rst
  ixpk= 81, nxpk= 10, iat=  -1,1602, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 754, 755,
 &end
#
#  100 ILE  HG1-        101 GLU  HN          4.00    (#     82:10        Unique  1.82, 2.87 A)
 &rst
  ixpk= 82, nxpk= 10, iat=  -1,1602, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1593,1594,
 &end
#
#  100 ILE  QG2         101 GLU  HN          3.00    (#     83:10        Unique  2.41, 3.52 A)
 &rst
  ixpk= 83, nxpk= 10, iat=  -1,1602, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1589,1590,1591,
 &end
#
#   65 VAL  HA           65 VAL  HN          3.50    (#     85:10        Unique  2.83, 2.85 A)
 &rst
  ixpk= 85, nxpk= 10, iat=1076,1074, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   65 VAL  HB           65 VAL  HN          4.00    (#     86:10        Unique  2.32, 2.50 A)
 &rst
  ixpk= 86, nxpk= 10, iat=1078,1074, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   44 PHE  HN           65 VAL  HN          3.50    (#     87:10        Unique  2.61, 2.89 A)
 &rst
  ixpk= 87, nxpk= 10, iat= 706,1074, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   45 MET  HA           65 VAL  HN          3.00    (#     88:10        Unique  2.38, 2.58 A)
 &rst
  ixpk= 88, nxpk= 10, iat= 728,1074, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:89      65 VAL  HN          4.00    (#     89:10        Single  0.00, 0.00  )
 &rst
  ixpk= 89, nxpk= 10, iat=  -1,1074, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1066,1067, 730, 731,
 &end
#
#    0 AMB  10-2:90       0 AMB  10-1:90     3.00    (#     90:10        Double  0.00, 0.00  )
 &rst
  ixpk= 90, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1066,1067,1011,1012,
 igr2=1074, 772,
 &end
#
#    0 AMB  10-2:91       0 AMB  10-1:91     4.00    (#     91:10        Double  0.00, 0.00  )
 &rst
  ixpk= 91, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 760, 761, 754, 755,1063,1064,
 igr2= 772,1074,
 &end
#
#    0 AMB  10-2:92      65 VAL  HN          4.00    (#     92:10        Single  0.00, 0.00  )
 &rst
  ixpk= 92, nxpk= 10, iat=  -1,1074, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1099,1100,1101,1103,1104,1105,1664,1665,1666,1668,
      1669,1670,
 &end
#
#    0 AMB  10-2:94      65 VAL  HN          3.00    (#     94:10        Single  0.00, 0.00  )
 &rst
  ixpk= 94, nxpk= 10, iat=  -1,1074, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1080,1081,1082,1084,1085,1086,1335,1336,1337,1339,
      1340,1341,
 &end
#
#  100 ILE  QD1          48 TRP  HN          5.00    (#     95:10        Unique  2.53, 4.20 A)
 &rst
  ixpk= 95, nxpk= 10, iat=  -1, 772, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1596,1597,1598,
 &end
#
#    0 AMB  10-2:96       0 AMB  10-1:96     4.00    (#     96:10        Double  0.00, 0.00  )
 &rst
  ixpk= 96, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1043, 743,
 igr2= 772,1074,
 &end
#
#    0 AMB  10-2:97       0 AMB  10-1:97     5.00    (#     97:10        Double  0.00, 0.00  )
 &rst
  ixpk= 97, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1059,1029,1345,
 igr2=1074, 772,
 &end
#
#    0 AMB  10-2:98      48 TRP  HN          3.50    (#     98:10        Single  0.00, 0.00  )
 &rst
  ixpk= 98, nxpk= 10, iat=  -1, 772, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1007, 796,
 &end
#
#    0 AMB  10-2:99       0 AMB  10-1:99     5.00    (#     99:10        Double  0.00, 0.00  )
 &rst
  ixpk= 99, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 780, 680, 688,
 igr2= 772,1074,
 &end
#
#   48 TRP  HA           48 TRP  HN          3.50    (#    100:10        Unique  2.84, 2.85 A)
 &rst
  ixpk= 100, nxpk= 10, iat= 774, 772, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:101     48 TRP  HN          4.00    (#    101:10        Single  0.00, 0.00  )
 &rst
  ixpk= 101, nxpk= 10, iat=  -1, 772, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1031, 994,
 &end
#
#   48 TRP  HB+          48 TRP  HN          3.00    (#    102:10        Unique  2.33, 2.55 A)
 &rst
  ixpk= 102, nxpk= 10, iat=  -1, 772, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 776, 777,
 &end
#
#   48 TRP  HB-          48 TRP  HN          3.00    (#    103:10        Unique  2.33, 2.55 A)
 &rst
  ixpk= 103, nxpk= 10, iat=  -1, 772, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 776, 777,
 &end
#
#    0 AMB  10-2:104     48 TRP  HN          4.00    (#    104:10        Single  0.00, 0.00  )
 &rst
  ixpk= 104, nxpk= 10, iat=  -1, 772, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1593,1594, 757, 758,
 &end
#
#   63 VAL  MGY           0 AMB  10-1:105    4.00    (#    105:10        Single  0.00, 0.00  )
 &rst
  ixpk= 105, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1049,1050,1051,1053,1054,1055,
 igr2= 772,1074,
 &end
#
#   47 LYS  HA           48 TRP  HN          2.80    (#    106:10        Unique  2.16, 2.17 A)
 &rst
  ixpk= 106, nxpk= 10, iat= 752, 772, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   47 LYS  HB+          48 TRP  HN          5.00    (#    107:10        Unique  3.92, 4.33 A)
 &rst
  ixpk= 107, nxpk= 10, iat=  -1, 772, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 754, 755,
 &end
#
#  119 TRP  HE1         126 PHE  HN          5.00    (#    109:10        Unique  5.00, 5.13 A)
 &rst
  ixpk= 109, nxpk= 10, iat=1881,1998, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  125 LYS  HN          126 PHE  HN          3.00    (#    110:10        Unique  1.70, 2.38 A)
 &rst
  ixpk= 110, nxpk= 10, iat=1976,1998, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  126 PHE  HD          126 PHE  HN          4.00    (#    111:10        Unique  2.25, 4.43 A)
 &rst
  ixpk= 111, nxpk= 10, iat=  -1,1998, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2006,2014,
 &end
#
#    0 AMB  10-2:112    126 PHE  HN          4.00    (#    112:10        Single  0.00, 0.00  )
 &rst
  ixpk= 112, nxpk= 10, iat=  -1,1998, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1884,2008,2012,
 &end
#
#  126 PHE  HB-         126 PHE  HN          4.00    (#    114:10        Unique  2.66, 3.35 A)
 &rst
  ixpk= 114, nxpk= 10, iat=  -1,1998, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2002,2003,
 &end
#
#  126 PHE  HB+         126 PHE  HN          4.00    (#    115:10        Unique  2.66, 3.35 A)
 &rst
  ixpk= 115, nxpk= 10, iat=  -1,1998, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2002,2003,
 &end
#
#  125 LYS  HB+         126 PHE  HN          3.70    (#    116:10        Unique  2.73, 4.10 A)
 &rst
  ixpk= 116, nxpk= 10, iat=  -1,1998, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr1=1980,1981,
 &end
#
#    0 AMB  10-2:117    126 PHE  HN          4.50    (#    117:10        Single  0.00, 0.00  )
 &rst
  ixpk= 117, nxpk= 10, iat=  -1,1998, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1980,1981,1986,1987,
 &end
#
#  125 LYS  HG+         126 PHE  HN          4.30    (#    118:10        Unique  2.13, 4.90 A)
 &rst
  ixpk= 118, nxpk= 10, iat=  -1,1998, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1=1983,1984,
 &end
#
#   51 LYS  HB-          51 LYS  HN          3.50    (#    120:10        Unique  2.06, 2.88 A)
 &rst
  ixpk= 120, nxpk= 10, iat=  -1, 840, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 844, 845,
 &end
#
#   51 LYS  HA           51 LYS  HN          3.50    (#    123:10        Unique  2.78, 2.91 A)
 &rst
  ixpk= 123, nxpk= 10, iat= 842, 840, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   50 LYS  HA           51 LYS  HN          3.00    (#    124:10        Unique  2.16, 2.37 A)
 &rst
  ixpk= 124, nxpk= 10, iat= 820, 840, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   51 LYS  HB+          51 LYS  HN          3.50    (#    125:10        Unique  2.06, 2.88 A)
 &rst
  ixpk= 125, nxpk= 10, iat=  -1, 840, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 844, 845,
 &end
#
#    0 AMB  10-2:126     51 LYS  HN          4.50    (#    126:10        Single  0.00, 0.00  )
 &rst
  ixpk= 126, nxpk= 10, iat=  -1, 840, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 822, 823, 847, 848,
 &end
#
#   50 LYS  HG+          51 LYS  HN          3.20    (#    127:10        Unique  1.92, 2.60 A)
 &rst
  ixpk= 127, nxpk= 10, iat=  -1, 840, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr1= 825, 826,
 &end
#
#    7 ASP  HA            7 ASP  HN          3.50    (#    131:10        Unique  2.74, 2.83 A)
 &rst
  ixpk= 131, nxpk= 10, iat=  99,  97, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    6 ARG  HA            7 ASP  HN          4.00    (#    132:10        Unique  3.44, 3.49 A)
 &rst
  ixpk= 132, nxpk= 10, iat=  75,  97, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:133      7 ASP  HN          6.00    (#    133:10        Single  0.00, 0.00  )
 &rst
  ixpk= 133, nxpk= 10, iat=  -1,  97, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=  65,  66,  65,  66,
 &end
#
#    6 ARG  HB+           7 ASP  HN          4.00    (#    134:10        Unique  3.49, 3.94 A)
 &rst
  ixpk= 134, nxpk= 10, iat=  -1,  97, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=  77,  78,
 &end
#
#    6 ARG  HG+           7 ASP  HN          4.40    (#    135:10        Unique  1.97, 3.10 A)
 &rst
  ixpk= 135, nxpk= 10, iat=  -1,  97, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=  80,  81,
 &end
#
#   78 MET  HB-         116 TRP  HE1         4.00    (#    137:10        Unique  2.21, 4.79 A)
 &rst
  ixpk= 137, nxpk= 10, iat=  -1,1817, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1264,1265,
 &end
#
#   98 SER  HN          116 TRP  HE1         4.50    (#    139:10        Unique  3.15, 3.98 A)
 &rst
  ixpk= 139, nxpk= 10, iat=1560,1817, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  116 TRP  HZ2         116 TRP  HE1         3.50    (#    140:10        Unique  2.82, 2.82 A)
 &rst
  ixpk= 140, nxpk= 10, iat=1820,1817, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  116 TRP  HD1         116 TRP  HE1         3.00    (#    141:10        Unique  2.57, 2.57 A)
 &rst
  ixpk= 141, nxpk= 10, iat=1815,1817, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:143    116 TRP  HE1         5.00    (#    143:10        Single  0.00, 0.00  )
 &rst
  ixpk= 143, nxpk= 10, iat=  -1,1817, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1564,1565,1833,
 &end
#
#    0 AMB  10-2:144    116 TRP  HE1         5.00    (#    144:10        Single  0.00, 0.00  )
 &rst
  ixpk= 144, nxpk= 10, iat=  -1,1817, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1548,1127,1128,1129,
 &end
#
#    0 AMB  10-2:145    116 TRP  HE1         4.00    (#    145:10        Single  0.00, 0.00  )
 &rst
  ixpk= 145, nxpk= 10, iat=  -1,1817, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1545,1546,1840,1841,1842,1844,1845,1846,
 &end
#
#    0 AMB  10-2:146    116 TRP  HE1         5.00    (#    146:10        Single  0.00, 0.00  )
 &rst
  ixpk= 146, nxpk= 10, iat=  -1,1817, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1840,1841,1842,1844,1845,1846, 590, 591, 592, 594,
       595, 596,
 &end
#
#    0 AMB  10-2:147    116 TRP  HE1         3.00    (#    147:10        Single  0.00, 0.00  )
 &rst
  ixpk= 147, nxpk= 10, iat=  -1,1817, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
      1909,1910,
 &end
#
#    0 AMB  10-2:148     66 LEU  HN          5.00    (#    148:10        Single  0.00, 0.00  )
 &rst
  ixpk= 148, nxpk= 10, iat=  -1,1090, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1345,1059,
 &end
#
#   67 GLY  HN           66 LEU  HN          3.00    (#    149:10        Unique  2.00, 2.24 A)
 &rst
  ixpk= 149, nxpk= 10, iat=1109,1090, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   82 VAL  HA           66 LEU  HN          3.80    (#    150:10        Unique  2.34, 3.09 A)
 &rst
  ixpk= 150, nxpk= 10, iat=1331,1090, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#   66 LEU  HA           66 LEU  HN          3.50    (#    151:10        Unique  2.88, 2.92 A)
 &rst
  ixpk= 151, nxpk= 10, iat=1092,1090, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   81 GLU  HB+          66 LEU  HN          4.00    (#    152:10        Unique  3.36, 4.09 A)
 &rst
  ixpk= 152, nxpk= 10, iat=  -1,1090, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1318,1319,
 &end
#
#   65 VAL  MGY          66 LEU  HN          4.00    (#    153:10        Unique  2.23, 4.12 A)
 &rst
  ixpk= 153, nxpk= 10, iat=  -1,1090, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1080,1081,1082,1084,1085,1086,
 &end
#
#   65 VAL  HA           66 LEU  HN          3.00    (#    155:10        Unique  2.14, 2.18 A)
 &rst
  ixpk= 155, nxpk= 10, iat=1076,1090, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   66 LEU  HB-          66 LEU  HN          3.50    (#    156:10        Unique  2.22, 2.96 A)
 &rst
  ixpk= 156, nxpk= 10, iat=  -1,1090, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1094,1095,
 &end
#
#    0 AMB  10-2:157     66 LEU  HN          4.80    (#    157:10        Single  0.00, 0.00  )
 &rst
  ixpk= 157, nxpk= 10, iat=  -1,1090, r1= 1.30, r2= 1.80, r3= 7.26, r4= 7.76,
 igr1=1080,1081,1082,1084,1085,1086,1335,1336,1337,1339,
      1340,1341,
 &end
#
#    0 AMB  10-2:158     97 LEU  HN          4.00    (#    158:10        Single  0.00, 0.00  )
 &rst
  ixpk= 158, nxpk= 10, iat=  -1,1541, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1298,1519,
 &end
#
#   79 TYR  HA           97 LEU  HN          4.00    (#    160:10        Unique  3.04, 3.72 A)
 &rst
  ixpk= 160, nxpk= 10, iat=1279,1541, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   96 LYS  HA           97 LEU  HN          4.00    (#    161:10        Unique  3.52, 3.54 A)
 &rst
  ixpk= 161, nxpk= 10, iat=1521,1541, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   96 LYS  HB+          97 LEU  HN          4.00    (#    162:10        Unique  1.89, 2.34 A)
 &rst
  ixpk= 162, nxpk= 10, iat=  -1,1541, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1523,1524,
 &end
#
#   96 LYS  HB-          97 LEU  HN          4.00    (#    163:10        Unique  1.89, 2.34 A)
 &rst
  ixpk= 163, nxpk= 10, iat=  -1,1541, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1523,1524,
 &end
#
#   97 LEU  HB+          97 LEU  HN          3.50    (#    164:10        Unique  2.20, 2.98 A)
 &rst
  ixpk= 164, nxpk= 10, iat=  -1,1541, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1545,1546,
 &end
#
#   80 VAL  MGY          97 LEU  HN          5.00    (#    165:10        Unique  2.44, 4.34 A)
 &rst
  ixpk= 165, nxpk= 10, iat=  -1,1541, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1304,1305,1306,1308,1309,1310,
 &end
#
#   97 LEU  MDY          97 LEU  HN          4.00    (#    166:10        Unique  1.86, 3.39 A)
 &rst
  ixpk= 166, nxpk= 10, iat=  -1,1541, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1550,1551,1552,1554,1555,1556,
 &end
#
#   80 VAL  MGX          97 LEU  HN          4.00    (#    167:10        Unique  2.44, 4.34 A)
 &rst
  ixpk= 167, nxpk= 10, iat=  -1,1541, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1304,1305,1306,1308,1309,1310,
 &end
#
#    1 MET  HA            2 ALA  HN          3.50    (#    169:10        Unique  2.14, 2.97 A)
 &rst
  ixpk= 169, nxpk= 10, iat=   6,  21, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    2 ALA  MB            2 ALA  HN          4.00    (#    170:10        Unique  2.09, 3.23 A)
 &rst
  ixpk= 170, nxpk= 10, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=  25,  26,  27,
 &end
#
#  122 ARG  HN          121 ALA  HN          3.50    (#    172:10        Unique  2.65, 2.88 A)
 &rst
  ixpk= 172, nxpk= 10, iat=1924,1914, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  123 GLY  HN          121 ALA  HN          5.00    (#    173:10        Unique  3.92, 4.28 A)
 &rst
  ixpk= 173, nxpk= 10, iat=1948,1914, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  118 TYR  HA          121 ALA  HN          4.00    (#    174:10        Unique  3.18, 3.34 A)
 &rst
  ixpk= 174, nxpk= 10, iat=1852,1914, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  120 LEU  HA          121 ALA  HN          4.00    (#    175:10        Unique  3.52, 3.55 A)
 &rst
  ixpk= 175, nxpk= 10, iat=1897,1914, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    4 VAL  MGX         121 ALA  HN          5.00    (#    176:10        Unique  4.44, 6.12 A)
 &rst
  ixpk= 176, nxpk= 10, iat=  -1,1914, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=  48,  49,  50,  52,  53,  54,
 &end
#
#  120 LEU  HN          121 ALA  HN          3.00    (#    177:10        Unique  2.19, 2.31 A)
 &rst
  ixpk= 177, nxpk= 10, iat=1895,1914, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  121 ALA  HA          121 ALA  HN          3.00    (#    179:10        Unique  2.72, 2.75 A)
 &rst
  ixpk= 179, nxpk= 10, iat=1916,1914, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:180    121 ALA  HN          5.00    (#    180:10        Single  0.00, 0.00  )
 &rst
  ixpk= 180, nxpk= 10, iat=  -1,1914, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1926,1875,1876,
 &end
#
#  120 LEU  HB+         121 ALA  HN          4.50    (#    181:10        Unique  2.49, 3.35 A)
 &rst
  ixpk= 181, nxpk= 10, iat=  -1,1914, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1899,1900,
 &end
#
#  121 ALA  MB          121 ALA  HN          3.00    (#    182:10        Unique  2.26, 2.89 A)
 &rst
  ixpk= 182, nxpk= 10, iat=  -1,1914, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1918,1919,1920,
 &end
#
#  120 LEU  HB-         121 ALA  HN          4.00    (#    183:10        Unique  2.49, 3.35 A)
 &rst
  ixpk= 183, nxpk= 10, iat=  -1,1914, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1899,1900,
 &end
#
#    0 AMB  10-2:184    121 ALA  HN          4.00    (#    184:10        Single  0.00, 0.00  )
 &rst
  ixpk= 184, nxpk= 10, iat=  -1,1914, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
      1909,1910,
 &end
#
#   82 VAL  HN           93 TYR  HN          5.00    (#    185:10        Unique  3.00, 3.25 A)
 &rst
  ixpk= 185, nxpk= 10, iat=1329,1474, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   92 VAL  HA           93 TYR  HN          4.00    (#    186:10        Unique  2.16, 2.18 A)
 &rst
  ixpk= 186, nxpk= 10, iat=1460,1474, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   93 TYR  HB-          93 TYR  HN          5.00    (#    187:10        Unique  2.82, 3.38 A)
 &rst
  ixpk= 187, nxpk= 10, iat=  -1,1474, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1478,1479,
 &end
#
#   92 VAL  HB           93 TYR  HN          5.00    (#    188:10        Unique  3.43, 3.71 A)
 &rst
  ixpk= 188, nxpk= 10, iat=1462,1474, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   83 ALA  MB           93 TYR  HN          6.50    (#    189:10        Unique  4.53, 5.47 A)
 &rst
  ixpk= 189, nxpk= 10, iat=  -1,1474, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1=1349,1350,1351,
 &end
#
#    0 AMB  10-2:190     93 TYR  HN          5.00    (#    190:10        Single  0.00, 0.00  )
 &rst
  ixpk= 190, nxpk= 10, iat=  -1,1474, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1464,1465,1466,1468,1469,1470,1464,1465,1466,1468,
      1469,1470,
 &end
#
#   82 VAL  MGX          93 TYR  HN          6.00    (#    191:10        Unique  2.29, 4.73 A)
 &rst
  ixpk= 191, nxpk= 10, iat=  -1,1474, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1335,1336,1337,1339,1340,1341,
 &end
#
#   41 GLU  HA           41 GLU  HN          4.00    (#    195:10        Unique  2.29, 2.83 A)
 &rst
  ixpk= 195, nxpk= 10, iat= 659, 657, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   40 LEU  HA           41 GLU  HN          3.00    (#    196:10        Unique  2.25, 2.38 A)
 &rst
  ixpk= 196, nxpk= 10, iat= 640, 657, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  109 THR  HA           41 GLU  HN          4.00    (#    197:10        Unique  3.39, 3.85 A)
 &rst
  ixpk= 197, nxpk= 10, iat=1712, 657, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   41 GLU  HG+          41 GLU  HN          3.50    (#    198:10        Unique  2.05, 3.03 A)
 &rst
  ixpk= 198, nxpk= 10, iat=  -1, 657, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 664, 665,
 &end
#
#   41 GLU  HB+          41 GLU  HN          4.00    (#    199:10        Unique  2.21, 3.12 A)
 &rst
  ixpk= 199, nxpk= 10, iat=  -1, 657, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 661, 662,
 &end
#
#   41 GLU  HB-          41 GLU  HN          4.00    (#    200:10        Unique  2.21, 3.12 A)
 &rst
  ixpk= 200, nxpk= 10, iat=  -1, 657, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 661, 662,
 &end
#
#   40 LEU  MDY          41 GLU  HN          4.00    (#    201:10        Unique  3.50, 5.32 A)
 &rst
  ixpk= 201, nxpk= 10, iat=  -1, 657, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 647, 648, 649, 651, 652, 653,
 &end
#
#  109 THR  MG2          41 GLU  HN          4.00    (#    202:10        Unique  1.98, 3.56 A)
 &rst
  ixpk= 202, nxpk= 10, iat=  -1, 657, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1716,1717,1718,
 &end
#
#   93 TYR  HD           93 TYR  HN          5.00    (#    205:10        Unique  1.94, 3.51 A)
 &rst
  ixpk= 205, nxpk= 10, iat=  -1,1474, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1482,1491,
 &end
#
#   83 ALA  HA           93 TYR  HN          5.00    (#    206:10        Unique  2.88, 3.25 A)
 &rst
  ixpk= 206, nxpk= 10, iat=1347,1474, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:207     93 TYR  HN          4.50    (#    207:10        Single  0.00, 0.00  )
 &rst
  ixpk= 207, nxpk= 10, iat=  -1,1474, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1476,1316,
 &end
#
#   93 TYR  HB+          93 TYR  HN          5.00    (#    208:10        Unique  2.82, 3.38 A)
 &rst
  ixpk= 208, nxpk= 10, iat=  -1,1474, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1478,1479,
 &end
#
#    0 AMB  10-2:209      8 GLU  HN          5.50    (#    209:10        Single  0.00, 0.00  )
 &rst
  ixpk= 209, nxpk= 10, iat=  -1, 109, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 113, 114,  62,  63,
 &end
#
#    8 GLU  HB-           8 GLU  HN          4.50    (#    210:10        Unique  2.60, 3.76 A)
 &rst
  ixpk= 210, nxpk= 10, iat=  -1, 109, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 113, 114,
 &end
#
#   48 TRP  HN           61 LYS  HN          3.50    (#    211:10        Unique  2.76, 2.92 A)
 &rst
  ixpk= 211, nxpk= 10, iat= 772,1007, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   62 THR  HN           61 LYS  HN          4.50    (#    212:10        Unique  3.82, 4.06 A)
 &rst
  ixpk= 212, nxpk= 10, iat=1029,1007, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   60 GLU  HN           61 LYS  HN          5.00    (#    214:10        Unique  4.31, 4.48 A)
 &rst
  ixpk= 214, nxpk= 10, iat= 992,1007, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   60 GLU  HA           61 LYS  HN          2.80    (#    216:10        Unique  2.14, 2.17 A)
 &rst
  ixpk= 216, nxpk= 10, iat= 994,1007, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   49 LYS  HA           61 LYS  HN          4.00    (#    218:10        Unique  3.68, 3.88 A)
 &rst
  ixpk= 218, nxpk= 10, iat= 798,1007, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   48 TRP  HB+          61 LYS  HN          4.00    (#    219:10        Unique  2.30, 3.41 A)
 &rst
  ixpk= 219, nxpk= 10, iat=  -1,1007, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 776, 777,
 &end
#
#    0 AMB  10-2:220     61 LYS  HN          4.00    (#    220:10        Single  0.00, 0.00  )
 &rst
  ixpk= 220, nxpk= 10, iat=  -1,1007, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 999,1000,1606,1607,
 &end
#
#   60 GLU  HB+          61 LYS  HN          5.00    (#    221:10        Unique  2.79, 3.84 A)
 &rst
  ixpk= 221, nxpk= 10, iat=  -1,1007, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 996, 997,
 &end
#
#   61 LYS  HB+          61 LYS  HN          3.00    (#    222:10        Unique  2.33, 2.81 A)
 &rst
  ixpk= 222, nxpk= 10, iat=  -1,1007, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1011,1012,
 &end
#
#    0 AMB  10-2:223     61 LYS  HN          4.00    (#    223:10        Single  0.00, 0.00  )
 &rst
  ixpk= 223, nxpk= 10, iat=  -1,1007, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 757, 758,1014,1015,1014,1015,
 &end
#
#   81 GLU  HN           69 ALA  HN          4.00    (#    225:10        Unique  2.84, 3.90 A)
 &rst
  ixpk= 225, nxpk= 10, iat=1314,1133, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   80 VAL  HA           69 ALA  HN          3.00    (#    226:10        Unique  1.89, 2.72 A)
 &rst
  ixpk= 226, nxpk= 10, iat=1300,1133, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   68 MET  HA           69 ALA  HN          3.00    (#    227:10        Unique  2.28, 2.38 A)
 &rst
  ixpk= 227, nxpk= 10, iat=1118,1133, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   69 ALA  HA           69 ALA  HN          3.50    (#    228:10        Unique  2.81, 2.86 A)
 &rst
  ixpk= 228, nxpk= 10, iat=1135,1133, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   68 MET  HB+          69 ALA  HN          4.00    (#    229:10        Unique  1.87, 3.46 A)
 &rst
  ixpk= 229, nxpk= 10, iat=  -1,1133, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1120,1121,
 &end
#
#   80 VAL  HB           69 ALA  HN          5.00    (#    230:10        Unique  3.85, 4.80 A)
 &rst
  ixpk= 230, nxpk= 10, iat=1302,1133, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   68 MET  ME           69 ALA  HN          4.00    (#    231:10        Unique  2.98, 4.54 A)
 &rst
  ixpk= 231, nxpk= 10, iat=  -1,1133, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1127,1128,1129,
 &end
#
#   69 ALA  MB           69 ALA  HN          3.00    (#    232:10        Unique  2.08, 2.92 A)
 &rst
  ixpk= 232, nxpk= 10, iat=  -1,1133, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1137,1138,1139,
 &end
#
#   80 VAL  MGY          69 ALA  HN          5.00    (#    233:10        Unique  3.66, 5.81 A)
 &rst
  ixpk= 233, nxpk= 10, iat=  -1,1133, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1304,1305,1306,1308,1309,1310,
 &end
#
#   71 ASP  HA           71 ASP  HN          3.50    (#    236:10        Unique  2.74, 2.78 A)
 &rst
  ixpk= 236, nxpk= 10, iat=1159,1157, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:237     71 ASP  HN          3.00    (#    237:10        Single  0.00, 0.00  )
 &rst
  ixpk= 237, nxpk= 10, iat=  -1,1157, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1161,1162,1150,1151,
 &end
#
#   72 ASP  HN           71 ASP  HN          3.50    (#    238:10        Unique  2.54, 2.72 A)
 &rst
  ixpk= 238, nxpk= 10, iat=1169,1157, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   70 PRO  HA           71 ASP  HN          3.00    (#    240:10        Unique  2.23, 2.35 A)
 &rst
  ixpk= 240, nxpk= 10, iat=1153,1157, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   70 PRO  HB+          71 ASP  HN          3.00    (#    242:10        Unique  2.18, 3.15 A)
 &rst
  ixpk= 242, nxpk= 10, iat=  -1,1157, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1150,1151,
 &end
#
#   71 ASP  HB+          71 ASP  HN          3.00    (#    243:10        Unique  2.09, 2.95 A)
 &rst
  ixpk= 243, nxpk= 10, iat=  -1,1157, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1161,1162,
 &end
#
#    6 ARG  HN            5 GLU  HN          5.50    (#    244:10        Unique  4.41, 4.47 A)
 &rst
  ixpk= 244, nxpk= 10, iat=  73,  58, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    4 VAL  HN            5 GLU  HN          5.00    (#    245:10        Unique  2.30, 2.61 A)
 &rst
  ixpk= 245, nxpk= 10, iat=  42,  58, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    4 VAL  HA            5 GLU  HN          5.00    (#    247:10        Unique  2.92, 3.05 A)
 &rst
  ixpk= 247, nxpk= 10, iat=  44,  58, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    5 GLU  HA            5 GLU  HN          5.00    (#    248:10        Unique  2.79, 2.84 A)
 &rst
  ixpk= 248, nxpk= 10, iat=  60,  58, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    5 GLU  HG+           5 GLU  HN          5.00    (#    249:10        Unique  2.14, 3.23 A)
 &rst
  ixpk= 249, nxpk= 10, iat=  -1,  58, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  65,  66,
 &end
#
#    5 GLU  HB+           5 GLU  HN          5.50    (#    250:10        Unique  2.37, 3.06 A)
 &rst
  ixpk= 250, nxpk= 10, iat=  -1,  58, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  62,  63,
 &end
#
#    5 GLU  HB-           5 GLU  HN          5.50    (#    251:10        Unique  2.37, 3.06 A)
 &rst
  ixpk= 251, nxpk= 10, iat=  -1,  58, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  62,  63,
 &end
#
#    0 AMB  10-2:254     79 TYR  HN          5.00    (#    254:10        Single  0.00, 0.00  )
 &rst
  ixpk= 254, nxpk= 10, iat=  -1,1277, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1287,1292, 528, 533,
 &end
#
#   78 MET  HA           79 TYR  HN          2.80    (#    255:10        Unique  2.14, 2.18 A)
 &rst
  ixpk= 255, nxpk= 10, iat=1262,1277, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   78 MET  ME           79 TYR  HN          5.00    (#    257:10        Unique  3.39, 4.78 A)
 &rst
  ixpk= 257, nxpk= 10, iat=  -1,1277, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1271,1272,1273,
 &end
#
#   68 MET  ME           79 TYR  HN          4.00    (#    258:10        Unique  1.80, 3.14 A)
 &rst
  ixpk= 258, nxpk= 10, iat=  -1,1277, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1127,1128,1129,
 &end
#
#   79 TYR  HD           79 TYR  HN          4.00    (#    260:10        Unique  2.77, 4.15 A)
 &rst
  ixpk= 260, nxpk= 10, iat=  -1,1277, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1285,1294,
 &end
#
#   79 TYR  HA           79 TYR  HN          4.00    (#    261:10        Unique  2.91, 2.92 A)
 &rst
  ixpk= 261, nxpk= 10, iat=1279,1277, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   79 TYR  HB-          79 TYR  HN          4.00    (#    262:10        Unique  2.66, 3.38 A)
 &rst
  ixpk= 262, nxpk= 10, iat=  -1,1277, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1281,1282,
 &end
#
#   69 ALA  MB           79 TYR  HN          4.00    (#    263:10        Unique  3.24, 5.76 A)
 &rst
  ixpk= 263, nxpk= 10, iat=  -1,1277, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1137,1138,1139,
 &end
#
#    0 AMB  10-2:264     79 TYR  HN          4.00    (#    264:10        Single  0.00, 0.00  )
 &rst
  ixpk= 264, nxpk= 10, iat=  -1,1277, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1264,1265,1550,1551,1552,1554,1555,1556,
 &end
#
#  104 ASP  HB-         104 ASP  HN          4.00    (#    265:10        Unique  3.03, 3.48 A)
 &rst
  ixpk= 265, nxpk= 10, iat=  -1,1646, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1650,1651,
 &end
#
#    0 AMB  10-2:267     58 ILE  HN          4.00    (#    267:10        Single  0.00, 0.00  )
 &rst
  ixpk= 267, nxpk= 10, iat=  -1, 958, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 946, 842, 935,
 &end
#
#   58 ILE  HA           58 ILE  HN          3.00    (#    268:10        Unique  2.27, 2.40 A)
 &rst
  ixpk= 268, nxpk= 10, iat= 960, 958, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   57 THR  HB           58 ILE  HN          5.50    (#    269:10        Unique  3.85, 4.33 A)
 &rst
  ixpk= 269, nxpk= 10, iat= 948, 958, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:270     58 ILE  HN          3.00    (#    270:10        Single  0.00, 0.00  )
 &rst
  ixpk= 270, nxpk= 10, iat=  -1, 958, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 962, 844, 845,
 &end
#
#   58 ILE  HG1-         58 ILE  HN          4.00    (#    271:10        Unique  2.68, 3.44 A)
 &rst
  ixpk= 271, nxpk= 10, iat=  -1, 958, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 968, 969,
 &end
#
#   57 THR  MG2          58 ILE  HN          6.00    (#    272:10        Unique  2.84, 4.11 A)
 &rst
  ixpk= 272, nxpk= 10, iat=  -1, 958, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 950, 951, 952,
 &end
#
#   58 ILE  HG1+         58 ILE  HN          4.00    (#    273:10        Unique  2.68, 3.44 A)
 &rst
  ixpk= 273, nxpk= 10, iat=  -1, 958, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 968, 969,
 &end
#
#   58 ILE  QG2          58 ILE  HN          4.00    (#    274:10        Unique  4.22, 4.82 A)
 &rst
  ixpk= 274, nxpk= 10, iat=  -1, 958, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 964, 965, 966,
 &end
#
#    0 AMB  10-2:276     50 LYS  HN          4.50    (#    276:10        Single  0.00, 0.00  )
 &rst
  ixpk= 276, nxpk= 10, iat=  -1, 818, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1007, 796,
 &end
#
#   60 GLU  HA           50 LYS  HN          3.80    (#    278:10        Unique  2.82, 3.12 A)
 &rst
  ixpk= 278, nxpk= 10, iat= 994, 818, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#   49 LYS  HA           50 LYS  HN          3.00    (#    280:10        Unique  2.22, 2.23 A)
 &rst
  ixpk= 280, nxpk= 10, iat= 798, 818, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   50 LYS  HA           50 LYS  HN          3.50    (#    281:10        Unique  2.89, 2.91 A)
 &rst
  ixpk= 281, nxpk= 10, iat= 820, 818, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:282     50 LYS  HN          3.50    (#    282:10        Single  0.00, 0.00  )
 &rst
  ixpk= 282, nxpk= 10, iat=  -1, 818, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 981, 982, 800, 801,1011,1012,
 &end
#
#   49 LYS  HB-          50 LYS  HN          4.00    (#    283:10        Unique  3.97, 4.17 A)
 &rst
  ixpk= 283, nxpk= 10, iat=  -1, 818, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 800, 801,
 &end
#
#    0 AMB  10-2:284     50 LYS  HN          5.00    (#    284:10        Single  0.00, 0.00  )
 &rst
  ixpk= 284, nxpk= 10, iat=  -1, 818, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 803, 804,1014,1015, 757, 758,
 &end
#
#   50 LYS  HB+          50 LYS  HN          3.00    (#    285:10        Unique  2.40, 2.61 A)
 &rst
  ixpk= 285, nxpk= 10, iat=  -1, 818, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 822, 823,
 &end
#
#    0 AMB  10-2:286     50 LYS  HN          4.00    (#    286:10        Single  0.00, 0.00  )
 &rst
  ixpk= 286, nxpk= 10, iat=  -1, 818, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1= 971, 972, 973, 825, 826, 825, 826,
 &end
#
#  105 VAL  HN          104 ASP  HN          3.00    (#    287:10        Unique  2.51, 2.74 A)
 &rst
  ixpk= 287, nxpk= 10, iat=1658,1646, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  103 ILE  HG1+        104 ASP  HN          5.00    (#    288:10        Unique  3.36, 4.43 A)
 &rst
  ixpk= 288, nxpk= 10, iat=  -1,1646, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1637,1638,
 &end
#
#  105 VAL  MGX         104 ASP  HN          5.00    (#    289:10        Unique  3.69, 5.12 A)
 &rst
  ixpk= 289, nxpk= 10, iat=  -1,1646, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1664,1665,1666,1668,1669,1670,
 &end
#
#  104 ASP  HA          104 ASP  HN          2.80    (#    291:10        Unique  2.28, 2.28 A)
 &rst
  ixpk= 291, nxpk= 10, iat=1648,1646, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#  103 ILE  HA          104 ASP  HN          2.80    (#    292:10        Unique  2.14, 2.19 A)
 &rst
  ixpk= 292, nxpk= 10, iat=1629,1646, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#  104 ASP  HB+         104 ASP  HN          4.00    (#    293:10        Unique  3.03, 3.48 A)
 &rst
  ixpk= 293, nxpk= 10, iat=  -1,1646, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1650,1651,
 &end
#
#    0 AMB  10-2:294    104 ASP  HN          4.00    (#    294:10        Single  0.00, 0.00  )
 &rst
  ixpk= 294, nxpk= 10, iat=  -1,1646, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1637,1638,1631,
 &end
#
#  103 ILE  QG2         104 ASP  HN          3.00    (#    295:10        Unique  1.92, 3.49 A)
 &rst
  ixpk= 295, nxpk= 10, iat=  -1,1646, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1633,1634,1635,
 &end
#
#    0 AMB  10-2:297     13 ARG  HN          5.00    (#    297:10        Single  0.00, 0.00  )
 &rst
  ixpk= 297, nxpk= 10, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 126, 111,
 &end
#
#   13 ARG  HA           13 ARG  HN          3.00    (#    298:10        Unique  2.71, 2.72 A)
 &rst
  ixpk= 298, nxpk= 10, iat= 196, 194, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:299     13 ARG  HN          5.00    (#    299:10        Single  0.00, 0.00  )
 &rst
  ixpk= 299, nxpk= 10, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 241, 242, 166, 167, 113, 114,
 &end
#
#   13 ARG  HB-          13 ARG  HN          4.00    (#    300:10        Unique  2.70, 3.19 A)
 &rst
  ixpk= 300, nxpk= 10, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 198, 199,
 &end
#
#   13 ARG  HG+          13 ARG  HN          3.00    (#    301:10        Unique  1.93, 2.38 A)
 &rst
  ixpk= 301, nxpk= 10, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 201, 202,
 &end
#
#   14 ILE  HN           13 ARG  HN          3.00    (#    302:10        Unique  3.26, 3.28 A)
 &rst
  ixpk= 302, nxpk= 10, iat= 218, 194, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:304     13 ARG  HN          3.50    (#    304:10        Single  0.00, 0.00  )
 &rst
  ixpk= 304, nxpk= 10, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 181, 182, 204, 205,
 &end
#
#   13 ARG  HB+          13 ARG  HN          3.00    (#    305:10        Unique  2.70, 3.19 A)
 &rst
  ixpk= 305, nxpk= 10, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 198, 199,
 &end
#
#   13 ARG  HG-          13 ARG  HN          4.00    (#    306:10        Unique  1.93, 2.38 A)
 &rst
  ixpk= 306, nxpk= 10, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 201, 202,
 &end
#
#   61 LYS  HN           60 GLU  HN          5.00    (#    308:10        Unique  4.31, 4.48 A)
 &rst
  ixpk= 308, nxpk= 10, iat=1007, 992, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   60 GLU  HA           60 GLU  HN          3.00    (#    310:10        Unique  2.84, 2.86 A)
 &rst
  ixpk= 310, nxpk= 10, iat= 994, 992, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   59 GLU  HA           60 GLU  HN          3.00    (#    312:10        Unique  2.14, 2.16 A)
 &rst
  ixpk= 312, nxpk= 10, iat= 979, 992, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   60 GLU  HG+          60 GLU  HN          4.00    (#    313:10        Unique  2.16, 3.16 A)
 &rst
  ixpk= 313, nxpk= 10, iat=  -1, 992, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 999,1000,
 &end
#
#   60 GLU  HG-          60 GLU  HN          3.00    (#    314:10        Unique  2.16, 3.16 A)
 &rst
  ixpk= 314, nxpk= 10, iat=  -1, 992, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 999,1000,
 &end
#
#   60 GLU  HB+          60 GLU  HN          3.00    (#    315:10        Unique  2.20, 2.97 A)
 &rst
  ixpk= 315, nxpk= 10, iat=  -1, 992, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 996, 997,
 &end
#
#    0 AMB  10-2:316     60 GLU  HN          5.00    (#    316:10        Single  0.00, 0.00  )
 &rst
  ixpk= 316, nxpk= 10, iat=  -1, 992, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 964, 965, 966, 822, 823,
 &end
#
#  115 ASP  HN          116 TRP  HN          3.50    (#    317:10        Unique  2.84, 2.95 A)
 &rst
  ixpk= 317, nxpk= 10, iat=1795,1807, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  117 LEU  HN          116 TRP  HN          3.50    (#    318:10        Unique  2.52, 2.74 A)
 &rst
  ixpk= 318, nxpk= 10, iat=1831,1807, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:319    116 TRP  HN          5.00    (#    319:10        Single  0.00, 0.00  )
 &rst
  ixpk= 319, nxpk= 10, iat=  -1,1807, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1850,1871,
 &end
#
#  110 GLN  HE2+        116 TRP  HN          7.00    (#    321:10        Unique  6.64, 7.00 A)
 &rst
  ixpk= 321, nxpk= 10, iat=  -1,1807, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1736,1737,
 &end
#
#  118 TYR  HE          116 TRP  HN          6.10    (#    322:10        Unique  5.17, 6.52 A)
 &rst
  ixpk= 322, nxpk= 10, iat=  -1,1807, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr1=1860,1865,
 &end
#
#  116 TRP  HD1         116 TRP  HN          5.00    (#    323:10        Unique  3.98, 4.42 A)
 &rst
  ixpk= 323, nxpk= 10, iat=1815,1807, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  116 TRP  HA          116 TRP  HN          3.50    (#    325:10        Unique  2.79, 2.82 A)
 &rst
  ixpk= 325, nxpk= 10, iat=1809,1807, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:326    116 TRP  HN          3.00    (#    326:10        Single  0.00, 0.00  )
 &rst
  ixpk= 326, nxpk= 10, iat=  -1,1807, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1799,1800,1768,
 &end
#
#  116 TRP  HB+         116 TRP  HN          3.00    (#    327:10        Unique  2.12, 2.57 A)
 &rst
  ixpk= 327, nxpk= 10, iat=  -1,1807, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1811,1812,
 &end
#
#  116 TRP  HB-         116 TRP  HN          3.00    (#    328:10        Unique  2.12, 2.57 A)
 &rst
  ixpk= 328, nxpk= 10, iat=  -1,1807, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1811,1812,
 &end
#
#  115 ASP  HB-         116 TRP  HN          4.00    (#    329:10        Unique  2.52, 2.98 A)
 &rst
  ixpk= 329, nxpk= 10, iat=  -1,1807, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1799,1800,
 &end
#
#  117 LEU  HG          116 TRP  HN          5.00    (#    330:10        Unique  4.50, 4.93 A)
 &rst
  ixpk= 330, nxpk= 10, iat=1838,1807, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:331    116 TRP  HN          4.00    (#    331:10        Single  0.00, 0.00  )
 &rst
  ixpk= 331, nxpk= 10, iat=  -1,1807, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
 igr1=1840,1841,1842,1844,1845,1846,1550,1551,1552,1554,
      1555,1556,1772,1773,1774,1545,1546,
 &end
#
#    0 AMB  10-2:332    116 TRP  HN          4.00    (#    332:10        Single  0.00, 0.00  )
 &rst
  ixpk= 332, nxpk= 10, iat=  -1,1807, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1840,1841,1842,1844,1845,1846, 590, 591, 592, 594,
       595, 596,
 &end
#
#   12 HIS  HB+          13 ARG  HN          3.50    (#    333:10        Unique  2.05, 2.68 A)
 &rst
  ixpk= 333, nxpk= 10, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 181, 182,
 &end
#
#    0 AMB  10-2:334     13 ARG  HN          3.50    (#    334:10        Single  0.00, 0.00  )
 &rst
  ixpk= 334, nxpk= 10, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 177, 237,
 &end
#
#   12 HIS  HA           13 ARG  HN          4.00    (#    335:10        Unique  3.56, 3.57 A)
 &rst
  ixpk= 335, nxpk= 10, iat= 179, 194, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  116 TRP  HN          115 ASP  HN          4.00    (#    337:10        Unique  2.84, 2.95 A)
 &rst
  ixpk= 337, nxpk= 10, iat=1807,1795, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  118 TYR  HE          115 ASP  HN          5.00    (#    338:10        Unique  3.68, 5.21 A)
 &rst
  ixpk= 338, nxpk= 10, iat=  -1,1795, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1860,1865,
 &end
#
#   37 ASP  HN           36 LEU  HN          3.50    (#    341:10        Unique  2.64, 2.77 A)
 &rst
  ixpk= 341, nxpk= 10, iat= 600, 581, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   36 LEU  HA           36 LEU  HN          3.50    (#    342:10        Unique  2.79, 2.82 A)
 &rst
  ixpk= 342, nxpk= 10, iat= 583, 581, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   44 PHE  HD          103 ILE  HN          4.00    (#    343:10        Unique  3.33, 5.65 A)
 &rst
  ixpk= 343, nxpk= 10, iat=  -1,1627, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 714, 722,
 &end
#
#  103 ILE  QG2         103 ILE  HN          4.00    (#    344:10        Unique  3.77, 4.43 A)
 &rst
  ixpk= 344, nxpk= 10, iat=  -1,1627, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1633,1634,1635,
 &end
#
#    0 AMB  10-2:345    103 ILE  HN          5.00    (#    345:10        Single  0.00, 0.00  )
 &rst
  ixpk= 345, nxpk= 10, iat=  -1,1627, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 750,1617,
 &end
#
#   46 GLY  HA-         103 ILE  HN          3.50    (#    346:10        Unique  1.97, 2.89 A)
 &rst
  ixpk= 346, nxpk= 10, iat=  -1,1627, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 745, 746,
 &end
#
#  102 ALA  HA          103 ILE  HN          2.80    (#    347:10        Unique  2.14, 2.15 A)
 &rst
  ixpk= 347, nxpk= 10, iat=1619,1627, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#  103 ILE  HA          103 ILE  HN          3.50    (#    348:10        Unique  2.91, 2.93 A)
 &rst
  ixpk= 348, nxpk= 10, iat=1629,1627, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   46 GLY  HA+         103 ILE  HN          3.50    (#    349:10        Unique  1.97, 2.89 A)
 &rst
  ixpk= 349, nxpk= 10, iat=  -1,1627, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 745, 746,
 &end
#
#  103 ILE  HB          103 ILE  HN          2.80    (#    350:10        Unique  2.21, 2.37 A)
 &rst
  ixpk= 350, nxpk= 10, iat=1631,1627, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#  102 ALA  MB          103 ILE  HN          3.80    (#    351:10        Unique  3.49, 4.14 A)
 &rst
  ixpk= 351, nxpk= 10, iat=  -1,1627, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1=1621,1622,1623,
 &end
#
#  103 ILE  QD1         103 ILE  HN          4.00    (#    352:10        Unique  2.23, 3.59 A)
 &rst
  ixpk= 352, nxpk= 10, iat=  -1,1627, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1640,1641,1642,
 &end
#
#  105 VAL  MGY         103 ILE  HN          4.00    (#    353:10        Unique  2.84, 4.47 A)
 &rst
  ixpk= 353, nxpk= 10, iat=  -1,1627, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1664,1665,1666,1668,1669,1670,
 &end
#
#   23 GLU  HN           22 ALA  HN          5.00    (#    357:10        Unique  4.24, 4.35 A)
 &rst
  ixpk= 357, nxpk= 10, iat= 357, 347, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   21 ASP  HN           22 ALA  HN          3.00    (#    358:10        Unique  2.01, 2.23 A)
 &rst
  ixpk= 358, nxpk= 10, iat= 335, 347, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   21 ASP  HA           22 ALA  HN          4.00    (#    359:10        Unique  3.49, 3.51 A)
 &rst
  ixpk= 359, nxpk= 10, iat= 337, 347, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   22 ALA  HA           22 ALA  HN          3.00    (#    360:10        Unique  2.71, 2.77 A)
 &rst
  ixpk= 360, nxpk= 10, iat= 349, 347, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   19 ILE  HA           22 ALA  HN          4.00    (#    361:10        Unique  3.81, 3.99 A)
 &rst
  ixpk= 361, nxpk= 10, iat= 302, 347, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:362     22 ALA  HN          4.00    (#    362:10        Single  0.00, 0.00  )
 &rst
  ixpk= 362, nxpk= 10, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 489, 490, 321,
 &end
#
#   21 ASP  HB+          22 ALA  HN          5.00    (#    363:10        Unique  2.21, 3.32 A)
 &rst
  ixpk= 363, nxpk= 10, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 339, 340,
 &end
#
#   21 ASP  HB-          22 ALA  HN          4.00    (#    364:10        Unique  2.21, 3.32 A)
 &rst
  ixpk= 364, nxpk= 10, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 339, 340,
 &end
#
#   19 ILE  HB           22 ALA  HN          4.00    (#    365:10        Unique  2.76, 3.11 A)
 &rst
  ixpk= 365, nxpk= 10, iat= 304, 347, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   27 GLU  HB+          22 ALA  HN          5.00    (#    366:10        Unique  4.13, 4.73 A)
 &rst
  ixpk= 366, nxpk= 10, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 425, 426,
 &end
#
#   20 VAL  HB           22 ALA  HN          5.50    (#    367:10        Unique  3.45, 3.81 A)
 &rst
  ixpk= 367, nxpk= 10, iat= 323, 347, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   22 ALA  MB           22 ALA  HN          3.00    (#    368:10        Unique  2.07, 2.88 A)
 &rst
  ixpk= 368, nxpk= 10, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 351, 352, 353,
 &end
#
#   19 ILE  QG2          22 ALA  HN          5.00    (#    369:10        Unique  3.80, 4.94 A)
 &rst
  ixpk= 369, nxpk= 10, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 306, 307, 308,
 &end
#
#    0 AMB  10-2:370     22 ALA  HN          4.00    (#    370:10        Single  0.00, 0.00  )
 &rst
  ixpk= 370, nxpk= 10, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 325, 326, 327, 329, 330, 331, 325, 326, 327, 329,
       330, 331,
 &end
#
#   48 TRP  HE1          96 LYS  HN          4.00    (#    371:10        Unique  4.85, 5.02 A)
 &rst
  ixpk= 371, nxpk= 10, iat= 782,1519, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   48 TRP  HZ2          96 LYS  HN          4.50    (#    373:10        Unique  3.69, 4.07 A)
 &rst
  ixpk= 373, nxpk= 10, iat= 785,1519, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:374     96 LYS  HN          5.50    (#    374:10        Single  0.00, 0.00  )
 &rst
  ixpk= 374, nxpk= 10, iat=  -1,1519, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 791,1285,1294,
 &end
#
#   79 TYR  HE           96 LYS  HN          5.50    (#    375:10        Unique  5.59, 7.66 A)
 &rst
  ixpk= 375, nxpk= 10, iat=  -1,1519, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1287,1292,
 &end
#
#   95 ALA  HA           96 LYS  HN          5.50    (#    376:10        Unique  3.39, 3.43 A)
 &rst
  ixpk= 376, nxpk= 10, iat=1511,1519, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   96 LYS  HA           96 LYS  HN          3.00    (#    377:10        Unique  2.27, 2.28 A)
 &rst
  ixpk= 377, nxpk= 10, iat=1521,1519, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   99 ASP  HB-          96 LYS  HN          5.00    (#    378:10        Unique  4.87, 5.48 A)
 &rst
  ixpk= 378, nxpk= 10, iat=  -1,1519, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1575,1576,
 &end
#
#   96 LYS  HB+          96 LYS  HN          4.00    (#    379:10        Unique  3.29, 3.82 A)
 &rst
  ixpk= 379, nxpk= 10, iat=  -1,1519, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1523,1524,
 &end
#
#    0 AMB  10-2:380     96 LYS  HN          3.00    (#    380:10        Single  0.00, 0.00  )
 &rst
  ixpk= 380, nxpk= 10, iat=  -1,1519, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1529,1530,1523,1524,
 &end
#
#   96 LYS  HG+          96 LYS  HN          4.00    (#    381:10        Unique  3.15, 4.15 A)
 &rst
  ixpk= 381, nxpk= 10, iat=  -1,1519, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1526,1527,
 &end
#
#   96 LYS  HG-          96 LYS  HN          4.00    (#    382:10        Unique  3.15, 4.15 A)
 &rst
  ixpk= 382, nxpk= 10, iat=  -1,1519, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1526,1527,
 &end
#
#   95 ALA  MB           96 LYS  HN          4.80    (#    383:10        Unique  1.82, 2.47 A)
 &rst
  ixpk= 383, nxpk= 10, iat=  -1,1519, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1=1513,1514,1515,
 &end
#
#  114 ALA  HN          115 ASP  HN          3.50    (#    385:10        Unique  2.71, 2.93 A)
 &rst
  ixpk= 385, nxpk= 10, iat=1785,1795, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  112 ALA  HA          115 ASP  HN          4.00    (#    386:10        Unique  3.54, 3.89 A)
 &rst
  ixpk= 386, nxpk= 10, iat=1758,1795, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  111 GLU  HA          115 ASP  HN          4.50    (#    387:10        Unique  3.56, 3.69 A)
 &rst
  ixpk= 387, nxpk= 10, iat=1743,1795, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  114 ALA  HA          115 ASP  HN          4.00    (#    388:10        Unique  3.52, 3.56 A)
 &rst
  ixpk= 388, nxpk= 10, iat=1787,1795, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  115 ASP  HB+         115 ASP  HN          3.00    (#    389:10        Unique  2.08, 2.82 A)
 &rst
  ixpk= 389, nxpk= 10, iat=  -1,1795, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1799,1800,
 &end
#
#    0 AMB  10-2:390    115 ASP  HN          5.00    (#    390:10        Single  0.00, 0.00  )
 &rst
  ixpk= 390, nxpk= 10, iat=  -1,1795, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1811,1812,1854,1855,
 &end
#
#  115 ASP  HB-         115 ASP  HN          3.50    (#    391:10        Unique  2.08, 2.82 A)
 &rst
  ixpk= 391, nxpk= 10, iat=  -1,1795, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1799,1800,
 &end
#
#  114 ALA  MB          115 ASP  HN          3.00    (#    392:10        Unique  2.42, 3.17 A)
 &rst
  ixpk= 392, nxpk= 10, iat=  -1,1795, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1789,1790,1791,
 &end
#
#  112 ALA  MB          115 ASP  HN          5.00    (#    393:10        Unique  5.21, 5.85 A)
 &rst
  ixpk= 393, nxpk= 10, iat=  -1,1795, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1760,1761,1762,
 &end
#
#   35 TYR  HN           36 LEU  HN          3.00    (#    396:10        Unique  2.41, 2.51 A)
 &rst
  ixpk= 396, nxpk= 10, iat= 560, 581, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   35 TYR  HD           36 LEU  HN          4.50    (#    397:10        Unique  3.14, 4.63 A)
 &rst
  ixpk= 397, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 568, 577,
 &end
#
#   35 TYR  HA           36 LEU  HN          4.00    (#    398:10        Unique  3.44, 3.47 A)
 &rst
  ixpk= 398, nxpk= 10, iat= 562, 581, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   35 TYR  HB+          36 LEU  HN          4.00    (#    399:10        Unique  2.68, 3.58 A)
 &rst
  ixpk= 399, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 564, 565,
 &end
#
#   35 TYR  HB-          36 LEU  HN          4.00    (#    400:10        Unique  2.68, 3.58 A)
 &rst
  ixpk= 400, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 564, 565,
 &end
#
#    0 AMB  10-2:401     36 LEU  HN          4.00    (#    401:10        Single  0.00, 0.00  )
 &rst
  ixpk= 401, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 588, 604, 605,
 &end
#
#   36 LEU  HB-          36 LEU  HN          3.80    (#    402:10        Unique  2.07, 2.54 A)
 &rst
  ixpk= 402, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1= 585, 586,
 &end
#
#   68 MET  ME           36 LEU  HN          5.00    (#    403:10        Unique  4.50, 6.32 A)
 &rst
  ixpk= 403, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1127,1128,1129,
 &end
#
#   36 LEU  HB+          36 LEU  HN          3.00    (#    404:10        Unique  2.07, 2.54 A)
 &rst
  ixpk= 404, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 585, 586,
 &end
#
#   36 LEU  MDY          36 LEU  HN          4.50    (#    405:10        Unique  3.28, 5.03 A)
 &rst
  ixpk= 405, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 590, 591, 592, 594, 595, 596,
 &end
#
#   36 LEU  MDX          36 LEU  HN          4.00    (#    406:10        Unique  3.28, 5.03 A)
 &rst
  ixpk= 406, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 590, 591, 592, 594, 595, 596,
 &end
#
#  117 LEU  HB-         118 TYR  HN          4.00    (#    407:10        Unique  2.60, 3.19 A)
 &rst
  ixpk= 407, nxpk= 10, iat=  -1,1850, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1835,1836,
 &end
#
#    0 AMB  10-2:408      0 AMB  10-1:408    4.50    (#    408:10        Double  0.00, 0.00  )
 &rst
  ixpk= 408, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1840,1841,1842,1844,1845,1846, 142, 143,
 igr2=1850,1871,
 &end
#
#  117 LEU  HN          118 TYR  HN          3.50    (#    409:10        Unique  2.70, 2.87 A)
 &rst
  ixpk= 409, nxpk= 10, iat=1831,1850, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  118 TYR  HA            0 AMB  10-1:410    3.00    (#    410:10        Single  0.00, 0.00  )
 &rst
  ixpk= 410, nxpk= 10, iat=1852,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1850,1871,
 &end
#
#    0 AMB  10-2:411      0 AMB  10-1:411    4.00    (#    411:10        Double  0.00, 0.00  )
 &rst
  ixpk= 411, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1833,1799,1800,
 igr2=1850,1871,
 &end
#
#  119 TRP  HB-         119 TRP  HN          3.00    (#    412:10        Unique  2.08, 2.62 A)
 &rst
  ixpk= 412, nxpk= 10, iat=  -1,1871, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1875,1876,
 &end
#
#    0 AMB  10-2:413      0 AMB  10-1:413    3.50    (#    413:10        Double  0.00, 0.00  )
 &rst
  ixpk= 413, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1854,1855,1854,1855,
 igr2=1871,1850,
 &end
#
#    0 AMB  10-2:414    118 TYR  HN          3.00    (#    414:10        Single  0.00, 0.00  )
 &rst
  ixpk= 414, nxpk= 10, iat=  -1,1850, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1835,1836,1899,1900,
 &end
#
#  117 LEU  MDY           0 AMB  10-1:415    6.00    (#    415:10        Single  0.00, 0.00  )
 &rst
  ixpk= 415, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1840,1841,1842,1844,1845,1846,
 igr2=1850,1871,
 &end
#
#  118 TYR  HE            0 AMB  10-1:416    4.50    (#    416:10        Single  0.00, 0.00  )
 &rst
  ixpk= 416, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1860,1865,
 igr2=1871,1850,
 &end
#
#  119 TRP  HA          119 TRP  HN          3.50    (#    417:10        Unique  2.74, 2.77 A)
 &rst
  ixpk= 417, nxpk= 10, iat=1873,1871, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  120 LEU  HN            0 AMB  10-1:419    3.50    (#    419:10        Single  0.00, 0.00  )
 &rst
  ixpk= 419, nxpk= 10, iat=1895,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1871,1850,
 &end
#
#  116 TRP  HA            0 AMB  10-1:421    4.00    (#    421:10        Single  0.00, 0.00  )
 &rst
  ixpk= 421, nxpk= 10, iat=1809,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1871,1850,
 &end
#
#    0 AMB  10-2:422      0 AMB  10-1:422    5.00    (#    422:10        Double  0.00, 0.00  )
 &rst
  ixpk= 422, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.71, r4= 9.21,
 igr1=1928,1929,1904,1905,1906,1908,1909,1910,1904,1905,
      1906,1908,1909,1910,
 igr2=1871,1850,
 &end
#
#    0 AMB  10-2:424     85 ILE  HN          3.00    (#    424:10        Single  0.00, 0.00  )
 &rst
  ixpk= 424, nxpk= 10, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1386,1059,1355,
 &end
#
#   63 VAL  HA           85 ILE  HN          3.00    (#    425:10        Unique  1.95, 2.11 A)
 &rst
  ixpk= 425, nxpk= 10, iat=1045,1367, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   84 ASP  HA           85 ILE  HN          2.80    (#    426:10        Unique  2.18, 2.20 A)
 &rst
  ixpk= 426, nxpk= 10, iat=1357,1367, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   85 ILE  HA           85 ILE  HN          3.00    (#    428:10        Unique  2.87, 2.89 A)
 &rst
  ixpk= 428, nxpk= 10, iat=1369,1367, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   84 ASP  HB+          85 ILE  HN          4.50    (#    429:10        Unique  3.88, 4.29 A)
 &rst
  ixpk= 429, nxpk= 10, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1359,1360,
 &end
#
#   84 ASP  HB-          85 ILE  HN          4.00    (#    430:10        Unique  3.88, 4.29 A)
 &rst
  ixpk= 430, nxpk= 10, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1359,1360,
 &end
#
#    0 AMB  10-2:431     85 ILE  HN          4.40    (#    431:10        Single  0.00, 0.00  )
 &rst
  ixpk= 431, nxpk= 10, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1=1047, 737, 738, 739,
 &end
#
#   85 ILE  HB           85 ILE  HN          3.00    (#    432:10        Unique  3.60, 3.63 A)
 &rst
  ixpk= 432, nxpk= 10, iat=1371,1367, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   85 ILE  HG1-         85 ILE  HN          3.00    (#    433:10        Unique  1.84, 2.37 A)
 &rst
  ixpk= 433, nxpk= 10, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1377,1378,
 &end
#
#   85 ILE  HG1+         85 ILE  HN          3.00    (#    434:10        Unique  1.84, 2.37 A)
 &rst
  ixpk= 434, nxpk= 10, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1377,1378,
 &end
#
#    0 AMB  10-2:435     85 ILE  HN          4.00    (#    435:10        Single  0.00, 0.00  )
 &rst
  ixpk= 435, nxpk= 10, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1373,1374,1375,1049,1050,1051,1053,1054,1055,
 &end
#
#    7 ASP  HN            6 ARG  HN          3.00    (#    441:10        Unique  1.77, 1.93 A)
 &rst
  ixpk= 441, nxpk= 10, iat=  97,  73, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    5 GLU  HN            6 ARG  HN          6.00    (#    442:10        Unique  4.41, 4.47 A)
 &rst
  ixpk= 442, nxpk= 10, iat=  58,  73, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    6 ARG  HA            6 ARG  HN          3.50    (#    444:10        Unique  2.91, 2.94 A)
 &rst
  ixpk= 444, nxpk= 10, iat=  75,  73, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    5 GLU  HA            6 ARG  HN          5.00    (#    445:10        Unique  2.69, 2.72 A)
 &rst
  ixpk= 445, nxpk= 10, iat=  60,  73, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    5 GLU  HG+           6 ARG  HN          6.00    (#    446:10        Unique  2.45, 3.26 A)
 &rst
  ixpk= 446, nxpk= 10, iat=  -1,  73, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  65,  66,
 &end
#
#    5 GLU  HB+           6 ARG  HN          5.00    (#    447:10        Unique  1.85, 2.71 A)
 &rst
  ixpk= 447, nxpk= 10, iat=  -1,  73, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  62,  63,
 &end
#
#    5 GLU  HB-           6 ARG  HN          5.00    (#    448:10        Unique  1.85, 2.71 A)
 &rst
  ixpk= 448, nxpk= 10, iat=  -1,  73, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  62,  63,
 &end
#
#    6 ARG  HB+           6 ARG  HN          4.00    (#    449:10        Unique  2.38, 3.35 A)
 &rst
  ixpk= 449, nxpk= 10, iat=  -1,  73, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=  77,  78,
 &end
#
#    6 ARG  HG+           6 ARG  HN          5.00    (#    450:10        Unique  1.83, 3.25 A)
 &rst
  ixpk= 450, nxpk= 10, iat=  -1,  73, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  80,  81,
 &end
#
#    6 ARG  HD+           6 ARG  HN          4.00    (#    451:10        Unique  1.84, 3.39 A)
 &rst
  ixpk= 451, nxpk= 10, iat=  -1,  73, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=  83,  84,
 &end
#
#    6 ARG  HD-           6 ARG  HN          4.00    (#    452:10        Unique  1.84, 3.39 A)
 &rst
  ixpk= 452, nxpk= 10, iat=  -1,  73, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=  83,  84,
 &end
#
#    0 AMB  10-2:455     42 PHE  HN          3.00    (#    455:10        Single  0.00, 0.00  )
 &rst
  ixpk= 455, nxpk= 10, iat=  -1, 672, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 714, 722, 680, 688,
 &end
#
#   42 PHE  HB-          42 PHE  HN          3.50    (#    456:10        Unique  2.15, 2.86 A)
 &rst
  ixpk= 456, nxpk= 10, iat=  -1, 672, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 676, 677,
 &end
#
#   42 PHE  HB+          42 PHE  HN          4.00    (#    457:10        Unique  2.15, 2.86 A)
 &rst
  ixpk= 457, nxpk= 10, iat=  -1, 672, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 676, 677,
 &end
#
#    0 AMB  10-2:458     42 PHE  HN          4.50    (#    458:10        Single  0.00, 0.00  )
 &rst
  ixpk= 458, nxpk= 10, iat=  -1, 672, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 661, 662, 645,
 &end
#
#   43 PRO  HA           42 PHE  HN          5.00    (#    459:10        Unique  4.51, 4.64 A)
 &rst
  ixpk= 459, nxpk= 10, iat= 702, 672, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   42 PHE  HA           42 PHE  HN          3.00    (#    460:10        Unique  2.55, 2.64 A)
 &rst
  ixpk= 460, nxpk= 10, iat= 674, 672, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:461     42 PHE  HN          3.00    (#    461:10        Single  0.00, 0.00  )
 &rst
  ixpk= 461, nxpk= 10, iat=  -1, 672, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 659, 602,
 &end
#
#   41 GLU  HG+          42 PHE  HN          5.00    (#    462:10        Unique  3.13, 3.84 A)
 &rst
  ixpk= 462, nxpk= 10, iat=  -1, 672, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 664, 665,
 &end
#
#    0 AMB  10-2:463     42 PHE  HN          5.00    (#    463:10        Single  0.00, 0.00  )
 &rst
  ixpk= 463, nxpk= 10, iat=  -1, 672, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 661, 662,1662,
 &end
#
#   31 GLY  HN           32 TRP  HN          3.50    (#    464:10        Unique  2.81, 2.88 A)
 &rst
  ixpk= 464, nxpk= 10, iat= 487, 494, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   32 TRP  HD1          32 TRP  HN          3.50    (#    467:10        Unique  2.23, 2.57 A)
 &rst
  ixpk= 467, nxpk= 10, iat= 502, 494, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:468     32 TRP  HN          3.00    (#    468:10        Single  0.00, 0.00  )
 &rst
  ixpk= 468, nxpk= 10, iat=  -1, 494, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 489, 490, 496,
 &end
#
#   31 GLY  HA-          32 TRP  HN          3.50    (#    469:10        Unique  2.52, 3.09 A)
 &rst
  ixpk= 469, nxpk= 10, iat=  -1, 494, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 489, 490,
 &end
#
#   32 TRP  HB+          32 TRP  HN          3.00    (#    470:10        Unique  2.19, 2.91 A)
 &rst
  ixpk= 470, nxpk= 10, iat=  -1, 494, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 498, 499,
 &end
#
#   32 TRP  HB-          32 TRP  HN          3.80    (#    471:10        Unique  2.19, 2.91 A)
 &rst
  ixpk= 471, nxpk= 10, iat=  -1, 494, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1= 498, 499,
 &end
#
#    0 AMB  10-2:472     32 TRP  HN          4.00    (#    472:10        Single  0.00, 0.00  )
 &rst
  ixpk= 472, nxpk= 10, iat=  -1, 494, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 462, 522, 523,
 &end
#
#   78 MET  ME           32 TRP  HN          6.00    (#    473:10        Unique  3.53, 5.21 A)
 &rst
  ixpk= 473, nxpk= 10, iat=  -1, 494, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1271,1272,1273,
 &end
#
#    0 AMB  10-2:474     32 TRP  HN          6.00    (#    474:10        Single  0.00, 0.00  )
 &rst
  ixpk= 474, nxpk= 10, iat=  -1, 494, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1267,1268, 590, 591, 592, 594, 595, 596,
 &end
#
#   18 ILE  QG2          32 TRP  HN          6.00    (#    475:10        Unique  3.07, 3.92 A)
 &rst
  ixpk= 475, nxpk= 10, iat=  -1, 494, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 287, 288, 289,
 &end
#
#   23 GLU  HA           23 GLU  HN          4.00    (#    477:10        Unique  2.94, 2.95 A)
 &rst
  ixpk= 477, nxpk= 10, iat= 359, 357, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:478     23 GLU  HN          4.00    (#    478:10        Single  0.00, 0.00  )
 &rst
  ixpk= 478, nxpk= 10, iat=  -1, 357, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 364, 365, 428, 429,
 &end
#
#    0 AMB  10-2:479     23 GLU  HN          3.00    (#    479:10        Single  0.00, 0.00  )
 &rst
  ixpk= 479, nxpk= 10, iat=  -1, 357, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 361, 362, 425, 426,
 &end
#
#   23 GLU  HB-          23 GLU  HN          3.50    (#    480:10        Unique  2.59, 3.25 A)
 &rst
  ixpk= 480, nxpk= 10, iat=  -1, 357, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 361, 362,
 &end
#
#   24 ASP  HN           23 GLU  HN          2.80    (#    481:10        Unique  1.81, 1.85 A)
 &rst
  ixpk= 481, nxpk= 10, iat= 372, 357, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   22 ALA  HA           23 GLU  HN          2.80    (#    482:10        Unique  2.15, 2.17 A)
 &rst
  ixpk= 482, nxpk= 10, iat= 349, 357, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   22 ALA  MB           23 GLU  HN          4.00    (#    483:10        Unique  3.74, 4.19 A)
 &rst
  ixpk= 483, nxpk= 10, iat=  -1, 357, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 351, 352, 353,
 &end
#
#   22 ALA  HN           21 ASP  HN          3.00    (#    484:10        Unique  2.01, 2.23 A)
 &rst
  ixpk= 484, nxpk= 10, iat= 347, 335, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   20 VAL  HN           21 ASP  HN          4.50    (#    485:10        Unique  3.90, 4.00 A)
 &rst
  ixpk= 485, nxpk= 10, iat= 319, 335, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   21 ASP  HA           21 ASP  HN          3.00    (#    486:10        Unique  2.76, 2.91 A)
 &rst
  ixpk= 486, nxpk= 10, iat= 337, 335, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   20 VAL  HA           21 ASP  HN          4.00    (#    487:10        Unique  3.46, 3.53 A)
 &rst
  ixpk= 487, nxpk= 10, iat= 321, 335, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   21 ASP  HB+          21 ASP  HN          3.50    (#    488:10        Unique  2.35, 2.76 A)
 &rst
  ixpk= 488, nxpk= 10, iat=  -1, 335, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 339, 340,
 &end
#
#   21 ASP  HB-          21 ASP  HN          3.50    (#    489:10        Unique  2.35, 2.76 A)
 &rst
  ixpk= 489, nxpk= 10, iat=  -1, 335, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 339, 340,
 &end
#
#   20 VAL  HB           21 ASP  HN          4.50    (#    490:10        Unique  1.80, 1.87 A)
 &rst
  ixpk= 490, nxpk= 10, iat= 323, 335, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   22 ALA  MB           21 ASP  HN          5.00    (#    491:10        Unique  3.80, 4.89 A)
 &rst
  ixpk= 491, nxpk= 10, iat=  -1, 335, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 351, 352, 353,
 &end
#
#    0 AMB  10-2:492     21 ASP  HN          3.00    (#    492:10        Single  0.00, 0.00  )
 &rst
  ixpk= 492, nxpk= 10, iat=  -1, 335, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 325, 326, 327, 329, 330, 331, 325, 326, 327, 329,
       330, 331,
 &end
#
#   98 SER  HN           99 ASP  HN          3.00    (#    496:10        Unique  2.34, 2.49 A)
 &rst
  ixpk= 496, nxpk= 10, iat=1560,1571, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   48 TRP  HD1          99 ASP  HN          5.50    (#    497:10        Unique  5.19, 5.37 A)
 &rst
  ixpk= 497, nxpk= 10, iat= 780,1571, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   99 ASP  HA           99 ASP  HN          3.00    (#    498:10        Unique  2.81, 2.84 A)
 &rst
  ixpk= 498, nxpk= 10, iat=1573,1571, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   98 SER  HA           99 ASP  HN          4.00    (#    500:10        Unique  3.46, 3.49 A)
 &rst
  ixpk= 500, nxpk= 10, iat=1562,1571, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   99 ASP  HB+          99 ASP  HN          3.00    (#    501:10        Unique  3.00, 3.29 A)
 &rst
  ixpk= 501, nxpk= 10, iat=  -1,1571, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1575,1576,
 &end
#
#   99 ASP  HB-          99 ASP  HN          3.50    (#    502:10        Unique  3.00, 3.29 A)
 &rst
  ixpk= 502, nxpk= 10, iat=  -1,1571, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1575,1576,
 &end
#
#  100 ILE  HB           99 ASP  HN          4.00    (#    503:10        Unique  3.26, 3.32 A)
 &rst
  ixpk= 503, nxpk= 10, iat=1587,1571, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:505     99 ASP  HN          4.00    (#    505:10        Single  0.00, 0.00  )
 &rst
  ixpk= 505, nxpk= 10, iat=  -1,1571, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1529,1530,1523,1524,
 &end
#
#   96 LYS  HG+          99 ASP  HN          5.00    (#    506:10        Unique  5.78, 6.42 A)
 &rst
  ixpk= 506, nxpk= 10, iat=  -1,1571, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1526,1527,
 &end
#
#    0 AMB  10-2:507     99 ASP  HN          5.00    (#    507:10        Single  0.00, 0.00  )
 &rst
  ixpk= 507, nxpk= 10, iat=  -1,1571, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1593,1594, 803, 804,
 &end
#
#  100 ILE  HG1+         99 ASP  HN          5.00    (#    508:10        Unique  4.86, 5.67 A)
 &rst
  ixpk= 508, nxpk= 10, iat=  -1,1571, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1593,1594,
 &end
#
#    0 AMB  10-2:509     99 ASP  HN          5.00    (#    509:10        Single  0.00, 0.00  )
 &rst
  ixpk= 509, nxpk= 10, iat=  -1,1571, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26,
 igr1=1840,1841,1842,1844,1845,1846,1545,1546,1550,1551,
      1552,1554,1555,1556,
 &end
#
#    0 AMB  10-2:510     99 ASP  HN          5.00    (#    510:10        Single  0.00, 0.00  )
 &rst
  ixpk= 510, nxpk= 10, iat=  -1,1571, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1589,1590,1591,1550,1551,1552,1554,1555,1556,
 &end
#
#    0 AMB  10-2:511     99 ASP  HN          6.00    (#    511:10        Single  0.00, 0.00  )
 &rst
  ixpk= 511, nxpk= 10, iat=  -1,1571, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1513,1514,1515,1596,1597,1598,
 &end
#
#    0 AMB  10-2:513      0 AMB  10-1:513    4.00    (#    513:10        Double  0.00, 0.00  )
 &rst
  ixpk= 513, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1007,1090,
 igr2=1029,1345,
 &end
#
#    0 AMB  10-2:514      0 AMB  10-1:514    3.50    (#    514:10        Double  0.00, 0.00  )
 &rst
  ixpk= 514, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1=1349,1350,1351,1014,1015,
 igr2=1345,1029,
 &end
#
#   82 VAL  MGX          83 ALA  HN          4.00    (#    515:10        Unique  1.96, 3.79 A)
 &rst
  ixpk= 515, nxpk= 10, iat=  -1,1345, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1335,1336,1337,1339,1340,1341,
 &end
#
#   62 THR  HA           62 THR  HN          3.00    (#    516:10        Unique  2.80, 2.82 A)
 &rst
  ixpk= 516, nxpk= 10, iat=1031,1029, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:517      0 AMB  10-1:517    4.00    (#    517:10        Double  0.00, 0.00  )
 &rst
  ixpk= 517, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1011,1012,1371,
 igr2=1029,1345,
 &end
#
#    0 AMB  10-2:519      0 AMB  10-1:519    4.00    (#    519:10        Double  0.00, 0.00  )
 &rst
  ixpk= 519, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1=1035,1036,1037,1377,1378,1377,1378,
 igr2=1029,1345,
 &end
#
#   62 THR  HB           62 THR  HN          3.00    (#    521:10        Unique  2.68, 2.79 A)
 &rst
  ixpk= 521, nxpk= 10, iat=1033,1029, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   24 ASP  HA           26 GLU  HN          4.70    (#    522:10        Unique  3.94, 4.16 A)
 &rst
  ixpk= 522, nxpk= 10, iat= 374, 406, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#   25 LYS  HA           26 GLU  HN          4.00    (#    524:10        Unique  3.42, 3.49 A)
 &rst
  ixpk= 524, nxpk= 10, iat= 386, 406, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   24 ASP  HB+          26 GLU  HN          4.00    (#    525:10        Unique  2.11, 3.06 A)
 &rst
  ixpk= 525, nxpk= 10, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 376, 377,
 &end
#
#   27 GLU  HG-          26 GLU  HN          4.00    (#    526:10        Unique  3.81, 4.72 A)
 &rst
  ixpk= 526, nxpk= 10, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 428, 429,
 &end
#
#   26 GLU  HG+          26 GLU  HN          3.00    (#    527:10        Unique  2.47, 3.13 A)
 &rst
  ixpk= 527, nxpk= 10, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 413, 414,
 &end
#
#   26 GLU  HB-          26 GLU  HN          4.00    (#    528:10        Unique  2.32, 3.02 A)
 &rst
  ixpk= 528, nxpk= 10, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 410, 411,
 &end
#
#    0 AMB  10-2:529     26 GLU  HN          3.80    (#    529:10        Single  0.00, 0.00  )
 &rst
  ixpk= 529, nxpk= 10, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 391, 392, 394, 395,
 &end
#
#   25 LYS  HG-          26 GLU  HN          4.50    (#    530:10        Unique  1.90, 2.98 A)
 &rst
  ixpk= 530, nxpk= 10, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 391, 392,
 &end
#
#   27 GLU  HN           26 GLU  HN          3.00    (#    531:10        Unique  2.46, 2.53 A)
 &rst
  ixpk= 531, nxpk= 10, iat= 421, 406, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   26 GLU  HA           26 GLU  HN          3.00    (#    532:10        Unique  2.87, 2.91 A)
 &rst
  ixpk= 532, nxpk= 10, iat= 408, 406, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   65 VAL  HA           83 ALA  HN          5.00    (#    534:10        Unique  3.89, 4.34 A)
 &rst
  ixpk= 534, nxpk= 10, iat=1076,1345, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   63 VAL  HB           83 ALA  HN          3.00    (#    535:10        Unique  2.57, 2.90 A)
 &rst
  ixpk= 535, nxpk= 10, iat=1047,1345, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   82 VAL  HB           83 ALA  HN          4.50    (#    536:10        Unique  2.03, 3.19 A)
 &rst
  ixpk= 536, nxpk= 10, iat=1333,1345, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   63 VAL  MGY          83 ALA  HN          4.00    (#    537:10        Unique  2.28, 4.95 A)
 &rst
  ixpk= 537, nxpk= 10, iat=  -1,1345, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1049,1050,1051,1053,1054,1055,
 &end
#
#    0 AMB  10-2:538     83 ALA  HN          4.00    (#    538:10        Single  0.00, 0.00  )
 &rst
  ixpk= 538, nxpk= 10, iat=  -1,1345, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1099,1100,1101,1103,1104,1105,1099,1100,1101,1103,
      1104,1105,
 &end
#
#   82 VAL  MGY          83 ALA  HN          4.00    (#    539:10        Unique  1.96, 3.79 A)
 &rst
  ixpk= 539, nxpk= 10, iat=  -1,1345, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1335,1336,1337,1339,1340,1341,
 &end
#
#    0 AMB  10-2:540     35 TYR  HN          3.00    (#    540:10        Single  0.00, 0.00  )
 &rst
  ixpk= 540, nxpk= 10, iat=  -1, 560, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 581, 539,
 &end
#
#    0 AMB  10-2:541     35 TYR  HN          5.00    (#    541:10        Single  0.00, 0.00  )
 &rst
  ixpk= 541, nxpk= 10, iat=  -1, 560, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 518, 600,
 &end
#
#   34 TYR  HD           35 TYR  HN          5.00    (#    542:10        Unique  4.62, 4.96 A)
 &rst
  ixpk= 542, nxpk= 10, iat=  -1, 560, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 547, 556,
 &end
#
#   35 TYR  HD           35 TYR  HN          4.20    (#    543:10        Unique  1.72, 3.57 A)
 &rst
  ixpk= 543, nxpk= 10, iat=  -1, 560, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 568, 577,
 &end
#
#   35 TYR  HA           35 TYR  HN          3.00    (#    544:10        Unique  2.80, 2.85 A)
 &rst
  ixpk= 544, nxpk= 10, iat= 562, 560, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   34 TYR  HA           35 TYR  HN          4.00    (#    545:10        Unique  3.56, 3.57 A)
 &rst
  ixpk= 545, nxpk= 10, iat= 541, 560, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:546     35 TYR  HN          4.00    (#    546:10        Single  0.00, 0.00  )
 &rst
  ixpk= 546, nxpk= 10, iat=  -1, 560, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 496, 489, 490,
 &end
#
#   34 TYR  HB+          35 TYR  HN          3.00    (#    547:10        Unique  2.40, 2.75 A)
 &rst
  ixpk= 547, nxpk= 10, iat=  -1, 560, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 543, 544,
 &end
#
#    0 AMB  10-2:548     35 TYR  HN          3.00    (#    548:10        Single  0.00, 0.00  )
 &rst
  ixpk= 548, nxpk= 10, iat=  -1, 560, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 564, 565, 543, 544,
 &end
#
#    0 AMB  10-2:549     35 TYR  HN          6.00    (#    549:10        Single  0.00, 0.00  )
 &rst
  ixpk= 549, nxpk= 10, iat=  -1, 560, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 604, 605, 588,
 &end
#
#   36 LEU  MDY          35 TYR  HN          6.50    (#    550:10        Unique  5.15, 7.25 A)
 &rst
  ixpk= 550, nxpk= 10, iat=  -1, 560, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
 igr1= 590, 591, 592, 594, 595, 596,
 &end
#
#   18 ILE  QG2          35 TYR  HN          6.50    (#    551:10        Unique  4.30, 5.28 A)
 &rst
  ixpk= 551, nxpk= 10, iat=  -1, 560, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1= 287, 288, 289,
 &end
#
#    9 THR  HN           10 ARG  HN          3.00    (#    552:10        Unique  2.58, 2.61 A)
 &rst
  ixpk= 552, nxpk= 10, iat= 124, 138, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    9 THR  HB           10 ARG  HN          3.20    (#    554:10        Unique  4.06, 4.12 A)
 &rst
  ixpk= 554, nxpk= 10, iat= 128, 138, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#    0 AMB  10-2:555     10 ARG  HN          4.00    (#    555:10        Single  0.00, 0.00  )
 &rst
  ixpk= 555, nxpk= 10, iat=  -1, 138, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 111, 126,
 &end
#
#   10 ARG  HA           10 ARG  HN          3.50    (#    556:10        Unique  2.94, 2.94 A)
 &rst
  ixpk= 556, nxpk= 10, iat= 140, 138, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    9 THR  MG2          10 ARG  HN          4.20    (#    558:10        Unique  2.45, 3.79 A)
 &rst
  ixpk= 558, nxpk= 10, iat=  -1, 138, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 130, 131, 132,
 &end
#
#   10 ARG  HB-          10 ARG  HN          3.50    (#    559:10        Unique  2.31, 2.79 A)
 &rst
  ixpk= 559, nxpk= 10, iat=  -1, 138, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 142, 143,
 &end
#
#   11 GLU  HN           10 ARG  HN          3.00    (#    560:10        Unique  2.42, 2.49 A)
 &rst
  ixpk= 560, nxpk= 10, iat= 162, 138, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   13 ARG  HG-          10 ARG  HN          6.00    (#    562:10        Unique  3.76, 4.65 A)
 &rst
  ixpk= 562, nxpk= 10, iat=  -1, 138, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 201, 202,
 &end
#
#   29 ALA  HN           28 ARG  HN          3.50    (#    563:10        Unique  2.84, 2.95 A)
 &rst
  ixpk= 563, nxpk= 10, iat= 460, 436, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:564     28 ARG  HN          4.00    (#    564:10        Single  0.00, 0.00  )
 &rst
  ixpk= 564, nxpk= 10, iat=  -1, 436, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 386, 349,
 &end
#
#   28 ARG  HA           28 ARG  HN          3.50    (#    565:10        Unique  2.75, 2.77 A)
 &rst
  ixpk= 565, nxpk= 10, iat= 438, 436, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   25 LYS  HE+          28 ARG  HN          7.00    (#    567:10        Unique  5.37, 6.36 A)
 &rst
  ixpk= 567, nxpk= 10, iat=  -1, 436, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 397, 398,
 &end
#
#    0 AMB  10-2:568     28 ARG  HN          5.00    (#    568:10        Single  0.00, 0.00  )
 &rst
  ixpk= 568, nxpk= 10, iat=  -1, 436, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 428, 429, 462,
 &end
#
#    0 AMB  10-2:569     28 ARG  HN          3.00    (#    569:10        Single  0.00, 0.00  )
 &rst
  ixpk= 569, nxpk= 10, iat=  -1, 436, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 440, 441, 425, 426,
 &end
#
#    0 AMB  10-2:570     28 ARG  HN          5.00    (#    570:10        Single  0.00, 0.00  )
 &rst
  ixpk= 570, nxpk= 10, iat=  -1, 436, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 391, 392, 394, 395,1211,1212,
 &end
#
#   22 ALA  MB           28 ARG  HN          4.00    (#    572:10        Unique  3.32, 4.30 A)
 &rst
  ixpk= 572, nxpk= 10, iat=  -1, 436, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 351, 352, 353,
 &end
#
#   29 ALA  MB           28 ARG  HN          5.00    (#    573:10        Unique  4.70, 5.64 A)
 &rst
  ixpk= 573, nxpk= 10, iat=  -1, 436, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 464, 465, 466,
 &end
#
#   90 ASP  HN           91 ASP  HN          3.00    (#    575:10        Unique  1.86, 2.33 A)
 &rst
  ixpk= 575, nxpk= 10, iat=1434,1446, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   92 VAL  HN           91 ASP  HN          4.40    (#    576:10        Unique  4.52, 4.56 A)
 &rst
  ixpk= 576, nxpk= 10, iat=1458,1446, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#    0 AMB  10-2:577     91 ASP  HN          3.00    (#    577:10        Single  0.00, 0.00  )
 &rst
  ixpk= 577, nxpk= 10, iat=  -1,1446, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1448,1436,
 &end
#
#   91 ASP  HB+          91 ASP  HN          3.00    (#    578:10        Unique  2.20, 2.94 A)
 &rst
  ixpk= 578, nxpk= 10, iat=  -1,1446, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1450,1451,
 &end
#
#   88 LYS  HB-          91 ASP  HN          4.00    (#    579:10        Unique  2.15, 2.90 A)
 &rst
  ixpk= 579, nxpk= 10, iat=  -1,1446, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1404,1405,
 &end
#
#    0 AMB  10-2:580     91 ASP  HN          4.50    (#    580:10        Single  0.00, 0.00  )
 &rst
  ixpk= 580, nxpk= 10, iat=  -1,1446, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=1407,1408,1349,1350,1351,
 &end
#
#    0 AMB  10-2:581     91 ASP  HN          5.00    (#    581:10        Single  0.00, 0.00  )
 &rst
  ixpk= 581, nxpk= 10, iat=  -1,1446, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1464,1465,1466,1468,1469,1470,1464,1465,1466,1468,
      1469,1470,
 &end
#
#  114 ALA  HN          112 ALA  HN          5.00    (#    582:10        Unique  4.34, 4.53 A)
 &rst
  ixpk= 582, nxpk= 10, iat=1785,1756, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  111 GLU  HN          112 ALA  HN          3.00    (#    583:10        Unique  2.87, 3.00 A)
 &rst
  ixpk= 583, nxpk= 10, iat=1741,1756, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  112 ALA  HA          112 ALA  HN          3.50    (#    584:10        Unique  2.75, 2.77 A)
 &rst
  ixpk= 584, nxpk= 10, iat=1758,1756, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:585    112 ALA  HN          4.20    (#    585:10        Single  0.00, 0.00  )
 &rst
  ixpk= 585, nxpk= 10, iat=  -1,1756, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1726,1768, 640,
 &end
#
#  109 THR  HA          112 ALA  HN          4.50    (#    586:10        Unique  3.79, 3.89 A)
 &rst
  ixpk= 586, nxpk= 10, iat=1712,1756, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:587    112 ALA  HN          4.20    (#    587:10        Single  0.00, 0.00  )
 &rst
  ixpk= 587, nxpk= 10, iat=  -1,1756, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1=1748,1749,1731,1732,
 &end
#
#  111 GLU  HB+         112 ALA  HN          3.00    (#    588:10        Unique  2.40, 2.91 A)
 &rst
  ixpk= 588, nxpk= 10, iat=  -1,1756, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1745,1746,
 &end
#
#  113 ILE  HB          112 ALA  HN          5.00    (#    589:10        Unique  4.94, 4.99 A)
 &rst
  ixpk= 589, nxpk= 10, iat=1770,1756, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  114 ALA  MB          112 ALA  HN          5.00    (#    590:10        Unique  5.04, 6.24 A)
 &rst
  ixpk= 590, nxpk= 10, iat=  -1,1756, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1789,1790,1791,
 &end
#
#  112 ALA  MB          112 ALA  HN          3.00    (#    591:10        Unique  2.06, 2.88 A)
 &rst
  ixpk= 591, nxpk= 10, iat=  -1,1756, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1760,1761,1762,
 &end
#
#   39 THR  MG2         112 ALA  HN          4.00    (#    593:10        Unique  3.65, 4.41 A)
 &rst
  ixpk= 593, nxpk= 10, iat=  -1,1756, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 630, 631, 632,
 &end
#
#   63 VAL  HA           64 GLU  HN          3.00    (#    597:10        Unique  2.33, 2.47 A)
 &rst
  ixpk= 597, nxpk= 10, iat=1045,1059, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   63 VAL  HB           64 GLU  HN          3.00    (#    598:10        Unique  2.05, 2.30 A)
 &rst
  ixpk= 598, nxpk= 10, iat=1047,1059, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   64 GLU  HB+          64 GLU  HN          3.00    (#    599:10        Unique  2.51, 2.89 A)
 &rst
  ixpk= 599, nxpk= 10, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1063,1064,
 &end
#
#   64 GLU  HB-          64 GLU  HN          3.00    (#    600:10        Unique  2.51, 2.89 A)
 &rst
  ixpk= 600, nxpk= 10, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1063,1064,
 &end
#
#    0 AMB  10-2:601     64 GLU  HN          5.00    (#    601:10        Single  0.00, 0.00  )
 &rst
  ixpk= 601, nxpk= 10, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1373,1374,1375,1049,1050,1051,1053,1054,1055,
 &end
#
#   63 VAL  MGX          64 GLU  HN          4.00    (#    602:10        Unique  2.69, 4.25 A)
 &rst
  ixpk= 602, nxpk= 10, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1049,1050,1051,1053,1054,1055,
 &end
#
#  115 ASP  HN          114 ALA  HN          3.50    (#    603:10        Unique  2.71, 2.93 A)
 &rst
  ixpk= 603, nxpk= 10, iat=1795,1785, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  113 ILE  HN          114 ALA  HN          3.00    (#    604:10        Unique  2.92, 2.99 A)
 &rst
  ixpk= 604, nxpk= 10, iat=1766,1785, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  111 GLU  HA          114 ALA  HN          4.50    (#    606:10        Unique  3.85, 3.91 A)
 &rst
  ixpk= 606, nxpk= 10, iat=1743,1785, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  114 ALA  HA          114 ALA  HN          3.00    (#    607:10        Unique  2.74, 2.77 A)
 &rst
  ixpk= 607, nxpk= 10, iat=1787,1785, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:608    114 ALA  HN          4.00    (#    608:10        Single  0.00, 0.00  )
 &rst
  ixpk= 608, nxpk= 10, iat=  -1,1785, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1768,1726,
 &end
#
#    0 AMB  10-2:609      0 AMB  10-1:609    3.00    (#    609:10        Double  0.00, 0.00  )
 &rst
  ixpk= 609, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1=1789,1790,1791,1318,1319,
 igr2=1785,1314,
 &end
#
#   66 LEU  HB-          81 GLU  HN          6.00    (#    610:10        Unique  3.21, 4.56 A)
 &rst
  ixpk= 610, nxpk= 10, iat=  -1,1314, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1094,1095,
 &end
#
#  113 ILE  HN          112 ALA  HN          3.00    (#    615:10        Unique  2.87, 2.96 A)
 &rst
  ixpk= 615, nxpk= 10, iat=1766,1756, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  111 GLU  HA          112 ALA  HN          4.00    (#    617:10        Unique  3.52, 3.56 A)
 &rst
  ixpk= 617, nxpk= 10, iat=1743,1756, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:618    112 ALA  HN          5.00    (#    618:10        Single  0.00, 0.00  )
 &rst
  ixpk= 618, nxpk= 10, iat=  -1,1756, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 647, 648, 649, 651, 652, 653,1776,1777,
 &end
#
#    0 AMB  10-2:619    112 ALA  HN          5.00    (#    619:10        Single  0.00, 0.00  )
 &rst
  ixpk= 619, nxpk= 10, iat=  -1,1756, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1779,1780,1781,1664,1665,1666,1668,1669,1670,
 &end
#
#    0 AMB  10-2:620    112 ALA  HN          5.00    (#    620:10        Single  0.00, 0.00  )
 &rst
  ixpk= 620, nxpk= 10, iat=  -1,1756, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1776,1777,1728,1729,
 &end
#
#   28 ARG  HN           29 ALA  HN          3.50    (#    621:10        Unique  2.84, 2.95 A)
 &rst
  ixpk= 621, nxpk= 10, iat= 436, 460, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   30 MET  HN           29 ALA  HN          3.50    (#    622:10        Unique  2.63, 2.69 A)
 &rst
  ixpk= 622, nxpk= 10, iat= 470, 460, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   25 LYS  HA           29 ALA  HN          5.00    (#    625:10        Unique  4.77, 5.01 A)
 &rst
  ixpk= 625, nxpk= 10, iat= 386, 460, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:626     29 ALA  HN          4.00    (#    626:10        Single  0.00, 0.00  )
 &rst
  ixpk= 626, nxpk= 10, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 408, 423,
 &end
#
#   28 ARG  HA           29 ALA  HN          4.00    (#    627:10        Unique  3.56, 3.57 A)
 &rst
  ixpk= 627, nxpk= 10, iat= 438, 460, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:628     29 ALA  HN          5.20    (#    628:10        Single  0.00, 0.00  )
 &rst
  ixpk= 628, nxpk= 10, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1=2002,2003, 522, 523,
 &end
#
#   29 ALA  HA           29 ALA  HN          3.50    (#    629:10        Unique  2.76, 2.79 A)
 &rst
  ixpk= 629, nxpk= 10, iat= 462, 460, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:630     29 ALA  HN          5.00    (#    630:10        Single  0.00, 0.00  )
 &rst
  ixpk= 630, nxpk= 10, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr1=1271,1272,1273, 410, 411, 425, 426,
 &end
#
#   25 LYS  HB+          29 ALA  HN          5.00    (#    631:10        Unique  5.95, 6.67 A)
 &rst
  ixpk= 631, nxpk= 10, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 388, 389,
 &end
#
#   30 MET  ME           29 ALA  HN          5.00    (#    632:10        Unique  3.94, 4.77 A)
 &rst
  ixpk= 632, nxpk= 10, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 481, 482, 483,
 &end
#
#   29 ALA  MB           29 ALA  HN          3.00    (#    633:10        Unique  2.07, 2.88 A)
 &rst
  ixpk= 633, nxpk= 10, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 464, 465, 466,
 &end
#
#    0 AMB  10-2:634     29 ALA  HN          5.00    (#    634:10        Single  0.00, 0.00  )
 &rst
  ixpk= 634, nxpk= 10, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1211,1212, 394, 395, 391, 392,1236,1237,
 &end
#
#   85 ILE  HG1+         64 GLU  HN          5.00    (#    635:10        Unique  3.21, 4.54 A)
 &rst
  ixpk= 635, nxpk= 10, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1377,1378,
 &end
#
#   69 ALA  HN           81 GLU  HN          4.00    (#    636:10        Unique  2.84, 3.90 A)
 &rst
  ixpk= 636, nxpk= 10, iat=1133,1314, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   67 GLY  HN           81 GLU  HN          4.00    (#    637:10        Unique  3.18, 3.65 A)
 &rst
  ixpk= 637, nxpk= 10, iat=1109,1314, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   80 VAL  HA           81 GLU  HN          3.00    (#    638:10        Unique  2.19, 2.27 A)
 &rst
  ixpk= 638, nxpk= 10, iat=1300,1314, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   68 MET  HA           81 GLU  HN          3.50    (#    639:10        Unique  1.91, 2.88 A)
 &rst
  ixpk= 639, nxpk= 10, iat=1118,1314, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:640      0 AMB  10-1:640    5.00    (#    640:10        Double  0.00, 0.00  )
 &rst
  ixpk= 640, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1137,1138,1139,1621,1622,1623,
 igr2=1314,1785,
 &end
#
#    0 AMB  10-2:641      0 AMB  10-1:641    3.20    (#    641:10        Double  0.00, 0.00  )
 &rst
  ixpk= 641, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1=1304,1305,1306,1308,1309,1310,1840,1841,1842,1844,
      1845,1846,
 igr2=1314,1785,
 &end
#
#    0 AMB  10-2:642     81 GLU  HN          5.00    (#    642:10        Single  0.00, 0.00  )
 &rst
  ixpk= 642, nxpk= 10, iat=  -1,1314, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1464,1465,1466,1468,1469,1470,1464,1465,1466,1468,
      1469,1470,
 &end
#
#   82 VAL  MGY          81 GLU  HN          6.00    (#    643:10        Unique  4.27, 6.68 A)
 &rst
  ixpk= 643, nxpk= 10, iat=  -1,1314, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1335,1336,1337,1339,1340,1341,
 &end
#
#   80 VAL  HB           81 GLU  HN          3.00    (#    644:10        Unique  2.46, 2.87 A)
 &rst
  ixpk= 644, nxpk= 10, iat=1302,1314, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:645     81 GLU  HN          4.50    (#    645:10        Single  0.00, 0.00  )
 &rst
  ixpk= 645, nxpk= 10, iat=  -1,1314, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1133,1116,
 &end
#
#   81 GLU  HG-          81 GLU  HN          4.00    (#    646:10        Unique  2.79, 3.47 A)
 &rst
  ixpk= 646, nxpk= 10, iat=  -1,1314, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1321,1322,
 &end
#
#    0 AMB  10-2:647      0 AMB  10-1:647    3.00    (#    647:10        Double  0.00, 0.00  )
 &rst
  ixpk= 647, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1772,1773,1774,1501,1502,1503,
 igr2=1785,1314,
 &end
#
#    0 AMB  10-2:648      0 AMB  10-1:648    4.20    (#    648:10        Double  0.00, 0.00  )
 &rst
  ixpk= 648, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1=1776,1777,1078, 647, 648, 649, 651, 652, 653,
 igr2=1785,1314,
 &end
#
#    0 AMB  10-2:649      0 AMB  10-1:649    4.00    (#    649:10        Double  0.00, 0.00  )
 &rst
  ixpk= 649, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1779,1780,1781,1099,1100,1101,1103,1104,1105,
 igr2=1785,1314,
 &end
#
#   99 ASP  HA          100 ILE  HN          3.20    (#    652:10        Unique  2.43, 2.46 A)
 &rst
  ixpk= 652, nxpk= 10, iat=1573,1583, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#   98 SER  HA          100 ILE  HN          5.00    (#    653:10        Unique  5.21, 5.31 A)
 &rst
  ixpk= 653, nxpk= 10, iat=1562,1583, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  100 ILE  HB          100 ILE  HN          3.00    (#    654:10        Unique  2.78, 2.92 A)
 &rst
  ixpk= 654, nxpk= 10, iat=1587,1583, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  100 ILE  HG1-        100 ILE  HN          4.00    (#    656:10        Unique  4.46, 4.71 A)
 &rst
  ixpk= 656, nxpk= 10, iat=  -1,1583, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1593,1594,
 &end
#
#  100 ILE  HG1+        100 ILE  HN          4.00    (#    657:10        Unique  4.46, 4.71 A)
 &rst
  ixpk= 657, nxpk= 10, iat=  -1,1583, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1593,1594,
 &end
#
#  117 LEU  MDX         100 ILE  HN          4.50    (#    658:10        Unique  2.32, 4.00 A)
 &rst
  ixpk= 658, nxpk= 10, iat=  -1,1583, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1840,1841,1842,1844,1845,1846,
 &end
#
#  101 GLU  HN          100 ILE  HN          5.00    (#    659:10        Unique  4.39, 4.41 A)
 &rst
  ixpk= 659, nxpk= 10, iat=1602,1583, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   99 ASP  HB+         100 ILE  HN          5.00    (#    662:10        Unique  4.26, 4.50 A)
 &rst
  ixpk= 662, nxpk= 10, iat=  -1,1583, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1575,1576,
 &end
#
#   99 ASP  HB-         100 ILE  HN          4.00    (#    663:10        Unique  4.26, 4.50 A)
 &rst
  ixpk= 663, nxpk= 10, iat=  -1,1583, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1575,1576,
 &end
#
#  117 LEU  MDY         100 ILE  HN          4.50    (#    664:10        Unique  2.32, 4.00 A)
 &rst
  ixpk= 664, nxpk= 10, iat=  -1,1583, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1840,1841,1842,1844,1845,1846,
 &end
#
#  100 ILE  QG2         100 ILE  HN          4.00    (#    665:10        Unique  2.62, 3.79 A)
 &rst
  ixpk= 665, nxpk= 10, iat=  -1,1583, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1589,1590,1591,
 &end
#
#  100 ILE  QD1         100 ILE  HN          5.00    (#    667:10        Unique  4.14, 5.64 A)
 &rst
  ixpk= 667, nxpk= 10, iat=  -1,1583, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1596,1597,1598,
 &end
#
#    0 AMB  10-2:668      0 AMB  10-1:668    4.50    (#    668:10        Double  0.00, 0.00  )
 &rst
  ixpk= 668, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1367,1422,
 igr2=1059,1355,
 &end
#
#   93 TYR  HE           84 ASP  HN          5.50    (#    669:10        Unique  2.46, 4.50 A)
 &rst
  ixpk= 669, nxpk= 10, iat=  -1,1355, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1484,1489,
 &end
#
#   83 ALA  HA           84 ASP  HN          2.80    (#    670:10        Unique  2.15, 2.17 A)
 &rst
  ixpk= 670, nxpk= 10, iat=1347,1355, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   84 ASP  HA           84 ASP  HN          3.00    (#    671:10        Unique  2.78, 2.80 A)
 &rst
  ixpk= 671, nxpk= 10, iat=1357,1355, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   92 VAL  HA           84 ASP  HN          4.00    (#    673:10        Unique  3.06, 3.30 A)
 &rst
  ixpk= 673, nxpk= 10, iat=1460,1355, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   84 ASP  HB+          84 ASP  HN          3.00    (#    674:10        Unique  2.30, 2.88 A)
 &rst
  ixpk= 674, nxpk= 10, iat=  -1,1355, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1359,1360,
 &end
#
#   84 ASP  HB-          84 ASP  HN          4.00    (#    675:10        Unique  2.30, 2.88 A)
 &rst
  ixpk= 675, nxpk= 10, iat=  -1,1355, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1359,1360,
 &end
#
#   83 ALA  MB            0 AMB  10-1:676    3.00    (#    676:10        Single  0.00, 0.00  )
 &rst
  ixpk= 676, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1349,1350,1351,
 igr2=1355,1059,
 &end
#
#    0 AMB  10-2:677      0 AMB  10-1:677    5.00    (#    677:10        Double  0.00, 0.00  )
 &rst
  ixpk= 677, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1464,1465,1466,1468,1469,1470,1464,1465,1466,1468,
      1469,1470,
 igr2=1355,1059,
 &end
#
#   44 PHE  HD           45 MET  HN          4.00    (#    682:10        Unique  3.09, 4.69 A)
 &rst
  ixpk= 682, nxpk= 10, iat=  -1, 726, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 714, 722,
 &end
#
#   45 MET  HA           45 MET  HN          4.00    (#    683:10        Unique  2.87, 2.88 A)
 &rst
  ixpk= 683, nxpk= 10, iat= 728, 726, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   44 PHE  HA           45 MET  HN          2.80    (#    684:10        Unique  2.15, 2.18 A)
 &rst
  ixpk= 684, nxpk= 10, iat= 708, 726, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   45 MET  HG-          45 MET  HN          4.00    (#    685:10        Unique  3.12, 3.34 A)
 &rst
  ixpk= 685, nxpk= 10, iat=  -1, 726, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 733, 734,
 &end
#
#   45 MET  HB+          45 MET  HN          4.00    (#    686:10        Unique  2.15, 2.87 A)
 &rst
  ixpk= 686, nxpk= 10, iat=  -1, 726, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 730, 731,
 &end
#
#   18 ILE  QD1          14 ILE  HN          6.50    (#    687:10        Unique  4.84, 6.17 A)
 &rst
  ixpk= 687, nxpk= 10, iat=  -1, 218, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1= 294, 295, 296,
 &end
#
#   15 GLU  HN           14 ILE  HN          3.50    (#    688:10        Unique  2.87, 2.89 A)
 &rst
  ixpk= 688, nxpk= 10, iat= 237, 218, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   13 ARG  HN           14 ILE  HN          4.00    (#    689:10        Unique  3.26, 3.28 A)
 &rst
  ixpk= 689, nxpk= 10, iat= 194, 218, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   11 GLU  HA           14 ILE  HN          5.00    (#    690:10        Unique  4.74, 5.00 A)
 &rst
  ixpk= 690, nxpk= 10, iat= 164, 218, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   13 ARG  HA           14 ILE  HN          4.00    (#    691:10        Unique  3.55, 3.56 A)
 &rst
  ixpk= 691, nxpk= 10, iat= 196, 218, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   14 ILE  HA           14 ILE  HN          3.50    (#    692:10        Unique  2.69, 2.70 A)
 &rst
  ixpk= 692, nxpk= 10, iat= 220, 218, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   14 ILE  HB           14 ILE  HN          3.00    (#    693:10        Unique  2.12, 2.21 A)
 &rst
  ixpk= 693, nxpk= 10, iat= 222, 218, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   15 GLU  HB-          14 ILE  HN          5.00    (#    694:10        Unique  4.79, 5.34 A)
 &rst
  ixpk= 694, nxpk= 10, iat=  -1, 218, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 241, 242,
 &end
#
#   13 ARG  HB-          14 ILE  HN          3.00    (#    695:10        Unique  1.83, 2.50 A)
 &rst
  ixpk= 695, nxpk= 10, iat=  -1, 218, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 198, 199,
 &end
#
#   13 ARG  HB+          14 ILE  HN          3.00    (#    696:10        Unique  1.83, 2.50 A)
 &rst
  ixpk= 696, nxpk= 10, iat=  -1, 218, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 198, 199,
 &end
#
#   14 ILE  QD1          14 ILE  HN          4.00    (#    697:10        Unique  3.66, 5.08 A)
 &rst
  ixpk= 697, nxpk= 10, iat=  -1, 218, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 231, 232, 233,
 &end
#
#   14 ILE  QG2          14 ILE  HN          4.00    (#    698:10        Unique  3.14, 4.10 A)
 &rst
  ixpk= 698, nxpk= 10, iat=  -1, 218, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 224, 225, 226,
 &end
#
#   34 TYR  HN           33 TYR  HN          3.50    (#    699:10        Unique  2.81, 2.94 A)
 &rst
  ixpk= 699, nxpk= 10, iat= 539, 518, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   33 TYR  HA           33 TYR  HN          3.50    (#    700:10        Unique  2.73, 2.77 A)
 &rst
  ixpk= 700, nxpk= 10, iat= 520, 518, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   32 TRP  HB-          33 TYR  HN          3.00    (#    701:10        Unique  2.24, 2.77 A)
 &rst
  ixpk= 701, nxpk= 10, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 498, 499,
 &end
#
#   33 TYR  HB+          33 TYR  HN          3.00    (#    702:10        Unique  2.29, 2.54 A)
 &rst
  ixpk= 702, nxpk= 10, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 522, 523,
 &end
#
#   78 MET  ME           33 TYR  HN          4.00    (#    703:10        Unique  1.86, 3.27 A)
 &rst
  ixpk= 703, nxpk= 10, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1271,1272,1273,
 &end
#
#   45 MET  HB-          45 MET  HN          3.00    (#    704:10        Unique  2.15, 2.87 A)
 &rst
  ixpk= 704, nxpk= 10, iat=  -1, 726, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 730, 731,
 &end
#
#   44 PHE  HB-          45 MET  HN          4.00    (#    705:10        Unique  3.01, 3.77 A)
 &rst
  ixpk= 705, nxpk= 10, iat=  -1, 726, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 710, 711,
 &end
#
#   45 MET  HG+          45 MET  HN          4.00    (#    706:10        Unique  3.12, 3.34 A)
 &rst
  ixpk= 706, nxpk= 10, iat=  -1, 726, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 733, 734,
 &end
#
#  105 VAL  MGY          45 MET  HN          4.00    (#    707:10        Unique  4.19, 6.36 A)
 &rst
  ixpk= 707, nxpk= 10, iat=  -1, 726, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1664,1665,1666,1668,1669,1670,
 &end
#
#   32 TRP  HN           33 TYR  HN          3.50    (#    708:10        Unique  2.85, 2.99 A)
 &rst
  ixpk= 708, nxpk= 10, iat= 494, 518, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   33 TYR  HD           33 TYR  HN          5.00    (#    709:10        Unique  4.56, 4.70 A)
 &rst
  ixpk= 709, nxpk= 10, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 526, 535,
 &end
#
#   30 MET  HA           33 TYR  HN          4.00    (#    710:10        Unique  3.93, 4.18 A)
 &rst
  ixpk= 710, nxpk= 10, iat= 472, 518, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   32 TRP  HA           33 TYR  HN          4.20    (#    711:10        Unique  3.55, 3.56 A)
 &rst
  ixpk= 711, nxpk= 10, iat= 496, 518, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   39 THR  HN           40 LEU  HN          3.00    (#    712:10        Unique  2.24, 2.58 A)
 &rst
  ixpk= 712, nxpk= 10, iat= 624, 638, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   37 ASP  HA           40 LEU  HN          4.00    (#    714:10        Unique  3.05, 3.52 A)
 &rst
  ixpk= 714, nxpk= 10, iat= 602, 638, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:715     40 LEU  HN          3.00    (#    715:10        Single  0.00, 0.00  )
 &rst
  ixpk= 715, nxpk= 10, iat=  -1, 638, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 640, 583,
 &end
#
#   39 THR  HB           40 LEU  HN          3.00    (#    716:10        Unique  2.05, 2.51 A)
 &rst
  ixpk= 716, nxpk= 10, iat= 628, 638, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:717     40 LEU  HN          5.00    (#    717:10        Single  0.00, 0.00  )
 &rst
  ixpk= 717, nxpk= 10, iat=  -1, 638, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 585, 586, 661, 662,
 &end
#
#    0 AMB  10-2:718     40 LEU  HN          3.00    (#    718:10        Single  0.00, 0.00  )
 &rst
  ixpk= 718, nxpk= 10, iat=  -1, 638, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 645, 661, 662,
 &end
#
#   40 LEU  HB+          40 LEU  HN          3.00    (#    719:10        Unique  2.10, 2.83 A)
 &rst
  ixpk= 719, nxpk= 10, iat=  -1, 638, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 642, 643,
 &end
#
#   39 THR  MG2          40 LEU  HN          3.40    (#    720:10        Unique  2.83, 3.94 A)
 &rst
  ixpk= 720, nxpk= 10, iat=  -1, 638, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1= 630, 631, 632,
 &end
#
#   40 LEU  MDY          40 LEU  HN          4.00    (#    721:10        Unique  2.04, 3.86 A)
 &rst
  ixpk= 721, nxpk= 10, iat=  -1, 638, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 647, 648, 649, 651, 652, 653,
 &end
#
#  109 THR  MG2          40 LEU  HN          5.00    (#    722:10        Unique  4.48, 6.10 A)
 &rst
  ixpk= 722, nxpk= 10, iat=  -1, 638, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1716,1717,1718,
 &end
#
#   40 LEU  HB-          40 LEU  HN          4.00    (#    723:10        Unique  2.10, 2.83 A)
 &rst
  ixpk= 723, nxpk= 10, iat=  -1, 638, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 642, 643,
 &end
#
#   39 THR  HA           40 LEU  HN          4.00    (#    724:10        Unique  3.48, 3.55 A)
 &rst
  ixpk= 724, nxpk= 10, iat= 626, 638, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   76 LYS  HN           77 ASP  HN          2.80    (#    726:10        Unique  1.76, 1.99 A)
 &rst
  ixpk= 726, nxpk= 10, iat=1226,1248, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   75 LEU  HN           77 ASP  HN          4.00    (#    727:10        Unique  2.92, 3.32 A)
 &rst
  ixpk= 727, nxpk= 10, iat=1207,1248, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   79 TYR  HD           77 ASP  HN          5.00    (#    728:10        Unique  4.14, 6.20 A)
 &rst
  ixpk= 728, nxpk= 10, iat=  -1,1248, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1285,1294,
 &end
#
#   79 TYR  HE           77 ASP  HN          4.00    (#    729:10        Unique  3.04, 5.81 A)
 &rst
  ixpk= 729, nxpk= 10, iat=  -1,1248, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1287,1292,
 &end
#
#   74 CYS  HA           77 ASP  HN          4.00    (#    730:10        Unique  2.98, 3.66 A)
 &rst
  ixpk= 730, nxpk= 10, iat=1198,1248, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   76 LYS  HA           77 ASP  HN          4.00    (#    731:10        Unique  3.51, 3.54 A)
 &rst
  ixpk= 731, nxpk= 10, iat=1228,1248, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   77 ASP  HA           77 ASP  HN          3.00    (#    732:10        Unique  2.94, 2.94 A)
 &rst
  ixpk= 732, nxpk= 10, iat=1250,1248, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   77 ASP  HB+          77 ASP  HN          4.00    (#    733:10        Unique  2.45, 3.36 A)
 &rst
  ixpk= 733, nxpk= 10, iat=  -1,1248, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1252,1253,
 &end
#
#   77 ASP  HB-          77 ASP  HN          4.00    (#    734:10        Unique  2.45, 3.36 A)
 &rst
  ixpk= 734, nxpk= 10, iat=  -1,1248, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1252,1253,
 &end
#
#   76 LYS  HB+          77 ASP  HN          4.00    (#    735:10        Unique  2.35, 3.34 A)
 &rst
  ixpk= 735, nxpk= 10, iat=  -1,1248, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1230,1231,
 &end
#
#   76 LYS  HB-          77 ASP  HN          3.80    (#    736:10        Unique  2.35, 3.34 A)
 &rst
  ixpk= 736, nxpk= 10, iat=  -1,1248, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1=1230,1231,
 &end
#
#   76 LYS  HG+          77 ASP  HN          5.00    (#    737:10        Unique  1.88, 3.95 A)
 &rst
  ixpk= 737, nxpk= 10, iat=  -1,1248, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1233,1234,
 &end
#
#   89 ASP  HA           89 ASP  HN          3.20    (#    739:10        Unique  2.28, 2.29 A)
 &rst
  ixpk= 739, nxpk= 10, iat=1424,1422, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#   88 LYS  HA           89 ASP  HN          4.80    (#    740:10        Unique  3.45, 3.48 A)
 &rst
  ixpk= 740, nxpk= 10, iat=1402,1422, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#   89 ASP  HB+          89 ASP  HN          4.00    (#    741:10        Unique  3.18, 3.69 A)
 &rst
  ixpk= 741, nxpk= 10, iat=  -1,1422, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1426,1427,
 &end
#
#   84 ASP  HB-          89 ASP  HN          4.00    (#    742:10        Unique  2.17, 3.33 A)
 &rst
  ixpk= 742, nxpk= 10, iat=  -1,1422, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1359,1360,
 &end
#
#   88 LYS  HB+          89 ASP  HN          4.50    (#    743:10        Unique  2.67, 3.52 A)
 &rst
  ixpk= 743, nxpk= 10, iat=  -1,1422, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1404,1405,
 &end
#
#   88 LYS  HB-          89 ASP  HN          4.50    (#    744:10        Unique  2.67, 3.52 A)
 &rst
  ixpk= 744, nxpk= 10, iat=  -1,1422, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1404,1405,
 &end
#
#  109 THR  HA          109 THR  HN          3.50    (#    746:10        Unique  2.77, 2.79 A)
 &rst
  ixpk= 746, nxpk= 10, iat=1712,1710, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:747    109 THR  HN          5.00    (#    747:10        Single  0.00, 0.00  )
 &rst
  ixpk= 747, nxpk= 10, iat=  -1,1710, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1728,1729,1745,1746,
 &end
#
#  105 VAL  MGX         109 THR  HN          4.00    (#    748:10        Unique  4.80, 6.25 A)
 &rst
  ixpk= 748, nxpk= 10, iat=  -1,1710, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1664,1665,1666,1668,1669,1670,
 &end
#
#    0 AMB  10-2:749    109 THR  HN          3.00    (#    749:10        Single  0.00, 0.00  )
 &rst
  ixpk= 749, nxpk= 10, iat=  -1,1710, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1698,1674,
 &end
#
#  110 GLN  HN          109 THR  HN          3.50    (#    750:10        Unique  2.89, 2.96 A)
 &rst
  ixpk= 750, nxpk= 10, iat=1724,1710, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  108 ASP  HA          109 THR  HN          4.00    (#    752:10        Unique  3.56, 3.56 A)
 &rst
  ixpk= 752, nxpk= 10, iat=1700,1710, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  109 THR  HB          109 THR  HN          3.00    (#    753:10        Unique  2.34, 2.46 A)
 &rst
  ixpk= 753, nxpk= 10, iat=1714,1710, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:754    109 THR  HN          5.00    (#    754:10        Single  0.00, 0.00  )
 &rst
  ixpk= 754, nxpk= 10, iat=  -1,1710, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 640,1726,
 &end
#
#    0 AMB  10-2:755    109 THR  HN          3.00    (#    755:10        Single  0.00, 0.00  )
 &rst
  ixpk= 755, nxpk= 10, iat=  -1,1710, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1702,1703,1678,1679,
 &end
#
#  108 ASP  HB-         109 THR  HN          4.00    (#    756:10        Unique  2.52, 2.89 A)
 &rst
  ixpk= 756, nxpk= 10, iat=  -1,1710, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1702,1703,
 &end
#
#    0 AMB  10-2:757    109 THR  HN          5.00    (#    757:10        Single  0.00, 0.00  )
 &rst
  ixpk= 757, nxpk= 10, iat=  -1,1710, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=1662, 661, 662,1728,1729,
 &end
#
#  109 THR  MG2         109 THR  HN          4.00    (#    758:10        Unique  4.32, 4.51 A)
 &rst
  ixpk= 758, nxpk= 10, iat=  -1,1710, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1716,1717,1718,
 &end
#
#   21 ASP  HN           20 VAL  HN          4.50    (#    759:10        Unique  3.90, 4.00 A)
 &rst
  ixpk= 759, nxpk= 10, iat= 335, 319, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   19 ILE  HN           20 VAL  HN          3.00    (#    760:10        Unique  1.87, 2.20 A)
 &rst
  ixpk= 760, nxpk= 10, iat= 300, 319, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   19 ILE  HA           20 VAL  HN          4.00    (#    761:10        Unique  3.41, 3.51 A)
 &rst
  ixpk= 761, nxpk= 10, iat= 302, 319, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   20 VAL  HA           20 VAL  HN          2.80    (#    762:10        Unique  2.28, 2.28 A)
 &rst
  ixpk= 762, nxpk= 10, iat= 321, 319, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   20 VAL  HB           20 VAL  HN          3.00    (#    763:10        Unique  3.56, 3.64 A)
 &rst
  ixpk= 763, nxpk= 10, iat= 323, 319, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   19 ILE  QG2          20 VAL  HN          5.00    (#    764:10        Unique  4.53, 5.02 A)
 &rst
  ixpk= 764, nxpk= 10, iat=  -1, 319, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 306, 307, 308,
 &end
#
#    0 AMB  10-2:765     20 VAL  HN          4.50    (#    765:10        Single  0.00, 0.00  )
 &rst
  ixpk= 765, nxpk= 10, iat=  -1, 319, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 325, 326, 327, 329, 330, 331, 325, 326, 327, 329,
       330, 331,
 &end
#
#   19 ILE  HB           20 VAL  HN          5.00    (#    766:10        Unique  2.75, 3.42 A)
 &rst
  ixpk= 766, nxpk= 10, iat= 304, 319, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   19 ILE  HG1+         20 VAL  HN          4.00    (#    767:10        Unique  1.73, 3.06 A)
 &rst
  ixpk= 767, nxpk= 10, iat=  -1, 319, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 310, 311,
 &end
#
#  107 ASP  HN          108 ASP  HN          3.00    (#    768:10        Unique  2.53, 2.59 A)
 &rst
  ixpk= 768, nxpk= 10, iat=1686,1698, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  109 THR  HN          108 ASP  HN          3.00    (#    769:10        Unique  2.81, 2.90 A)
 &rst
  ixpk= 769, nxpk= 10, iat=1710,1698, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  108 ASP  HA          108 ASP  HN          3.00    (#    770:10        Unique  2.75, 2.77 A)
 &rst
  ixpk= 770, nxpk= 10, iat=1700,1698, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  107 ASP  HA          108 ASP  HN          4.00    (#    771:10        Unique  3.54, 3.55 A)
 &rst
  ixpk= 771, nxpk= 10, iat=1688,1698, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  109 THR  HA            0 AMB  10-1:772    5.00    (#    772:10        Single  0.00, 0.00  )
 &rst
  ixpk= 772, nxpk= 10, iat=1712,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1674,1698,
 &end
#
#    0 AMB  10-2:773      0 AMB  10-1:773    3.80    (#    773:10        Double  0.00, 0.00  )
 &rst
  ixpk= 773, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1=1702,1703,1678,1679,
 igr2=1698,1674,
 &end
#
#  108 ASP  HB-         108 ASP  HN          3.00    (#    774:10        Unique  2.07, 2.76 A)
 &rst
  ixpk= 774, nxpk= 10, iat=  -1,1698, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1702,1703,
 &end
#
#  107 ASP  HB-         108 ASP  HN          3.00    (#    775:10        Unique  2.30, 2.96 A)
 &rst
  ixpk= 775, nxpk= 10, iat=  -1,1698, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1690,1691,
 &end
#
#   39 THR  MG2         108 ASP  HN          5.00    (#    776:10        Unique  4.95, 5.63 A)
 &rst
  ixpk= 776, nxpk= 10, iat=  -1,1698, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 630, 631, 632,
 &end
#
#    0 AMB  10-2:777     92 VAL  HN          6.00    (#    777:10        Single  0.00, 0.00  )
 &rst
  ixpk= 777, nxpk= 10, iat=  -1,1458, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1349,1350,1351,1407,1408,
 &end
#
#   93 TYR  HN           92 VAL  HN          6.00    (#    778:10        Unique  4.27, 4.32 A)
 &rst
  ixpk= 778, nxpk= 10, iat=1474,1458, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   91 ASP  HN           92 VAL  HN          4.40    (#    779:10        Unique  4.52, 4.56 A)
 &rst
  ixpk= 779, nxpk= 10, iat=1446,1458, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#    0 AMB  10-2:781     92 VAL  HN          2.80    (#    781:10        Single  0.00, 0.00  )
 &rst
  ixpk= 781, nxpk= 10, iat=  -1,1458, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1448,1460,
 &end
#
#   91 ASP  HB-          92 VAL  HN          4.00    (#    782:10        Unique  2.82, 3.61 A)
 &rst
  ixpk= 782, nxpk= 10, iat=  -1,1458, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1450,1451,
 &end
#
#   92 VAL  HB           92 VAL  HN          3.00    (#    783:10        Unique  3.20, 3.55 A)
 &rst
  ixpk= 783, nxpk= 10, iat=1462,1458, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:784     92 VAL  HN          4.00    (#    784:10        Single  0.00, 0.00  )
 &rst
  ixpk= 784, nxpk= 10, iat=  -1,1458, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1464,1465,1466,1468,1469,1470,1464,1465,1466,1468,
      1469,1470,
 &end
#
#   46 GLY  HN           47 LYS  HN          5.00    (#    785:10        Unique  4.26, 4.40 A)
 &rst
  ixpk= 785, nxpk= 10, iat= 743, 750, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:787     47 LYS  HN          3.00    (#    787:10        Single  0.00, 0.00  )
 &rst
  ixpk= 787, nxpk= 10, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 745, 746, 752,
 &end
#
#  102 ALA  HA           47 LYS  HN          5.00    (#    788:10        Unique  3.61, 4.00 A)
 &rst
  ixpk= 788, nxpk= 10, iat=1619, 750, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   46 GLY  HA+          47 LYS  HN          3.00    (#    789:10        Unique  2.15, 2.59 A)
 &rst
  ixpk= 789, nxpk= 10, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 745, 746,
 &end
#
#  101 GLU  HB+          47 LYS  HN          3.50    (#    790:10        Unique  1.82, 3.03 A)
 &rst
  ixpk= 790, nxpk= 10, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1606,1607,
 &end
#
#  101 GLU  HB-          47 LYS  HN          3.50    (#    791:10        Unique  1.82, 3.03 A)
 &rst
  ixpk= 791, nxpk= 10, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1606,1607,
 &end
#
#   47 LYS  HB+          47 LYS  HN          3.50    (#    792:10        Unique  2.14, 2.70 A)
 &rst
  ixpk= 792, nxpk= 10, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 754, 755,
 &end
#
#   47 LYS  HB-          47 LYS  HN          3.50    (#    793:10        Unique  2.14, 2.70 A)
 &rst
  ixpk= 793, nxpk= 10, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 754, 755,
 &end
#
#    0 AMB  10-2:794     47 LYS  HN          4.00    (#    794:10        Single  0.00, 0.00  )
 &rst
  ixpk= 794, nxpk= 10, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1637,1638, 760, 761,
 &end
#
#    0 AMB  10-2:795     47 LYS  HN          4.80    (#    795:10        Single  0.00, 0.00  )
 &rst
  ixpk= 795, nxpk= 10, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1593,1594, 757, 758,
 &end
#
#  103 ILE  HG1+         47 LYS  HN          5.00    (#    796:10        Unique  2.38, 4.37 A)
 &rst
  ixpk= 796, nxpk= 10, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1637,1638,
 &end
#
#  100 ILE  QG2          47 LYS  HN          4.00    (#    797:10        Unique  3.57, 4.98 A)
 &rst
  ixpk= 797, nxpk= 10, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1589,1590,1591,
 &end
#
#  105 VAL  HN          106 ASP  HN          5.00    (#    799:10        Unique  4.38, 4.44 A)
 &rst
  ixpk= 799, nxpk= 10, iat=1658,1674, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  106 ASP  HA          106 ASP  HN          3.00    (#    801:10        Unique  2.88, 2.92 A)
 &rst
  ixpk= 801, nxpk= 10, iat=1676,1674, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  109 THR  HB          106 ASP  HN          3.00    (#    802:10        Unique  2.20, 2.55 A)
 &rst
  ixpk= 802, nxpk= 10, iat=1714,1674, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:803      0 AMB  10-1:803    3.00    (#    803:10        Double  0.00, 0.00  )
 &rst
  ixpk= 803, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1678,1679,1678,1679,
 igr2=1674,1698,
 &end
#
#    0 AMB  10-2:804      0 AMB  10-1:804    4.80    (#    804:10        Double  0.00, 0.00  )
 &rst
  ixpk= 804, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.26, r4= 7.76,
 igr1=1728,1729,1745,1746,1728,1729,
 igr2=1674,1698,
 &end
#
#  105 VAL  HB          106 ASP  HN          4.00    (#    805:10        Unique  1.94, 2.15 A)
 &rst
  ixpk= 805, nxpk= 10, iat=1662,1674, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  123 GLY  HA+         124 TYR  HN          4.00    (#    807:10        Unique  2.25, 3.00 A)
 &rst
  ixpk= 807, nxpk= 10, iat=  -1,1955, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1950,1951,
 &end
#
#    0 AMB  10-2:811     52 SER  HN          5.00    (#    811:10        Single  0.00, 0.00  )
 &rst
  ixpk= 811, nxpk= 10, iat=  -1, 862, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 842, 935,
 &end
#
#   52 SER  HB+          52 SER  HN          5.00    (#    812:10        Unique  3.08, 3.58 A)
 &rst
  ixpk= 812, nxpk= 10, iat=  -1, 862, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 866, 867,
 &end
#
#  123 GLY  HN          124 TYR  HN          3.00    (#    814:10        Unique  1.67, 2.92 A)
 &rst
  ixpk= 814, nxpk= 10, iat=1948,1955, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  124 TYR  HE          124 TYR  HN          5.50    (#    815:10        Unique  3.99, 5.10 A)
 &rst
  ixpk= 815, nxpk= 10, iat=  -1,1955, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1965,1970,
 &end
#
#  124 TYR  HD          124 TYR  HN          3.20    (#    816:10        Unique  1.73, 3.41 A)
 &rst
  ixpk= 816, nxpk= 10, iat=  -1,1955, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr1=1963,1972,
 &end
#
#  124 TYR  HA          124 TYR  HN          3.00    (#    817:10        Unique  2.28, 2.70 A)
 &rst
  ixpk= 817, nxpk= 10, iat=1957,1955, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  119 TRP  HA          124 TYR  HN          6.00    (#    818:10        Unique  5.18, 5.64 A)
 &rst
  ixpk= 818, nxpk= 10, iat=1873,1955, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  123 GLY  HA-         124 TYR  HN          4.00    (#    819:10        Unique  2.25, 3.00 A)
 &rst
  ixpk= 819, nxpk= 10, iat=  -1,1955, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1950,1951,
 &end
#
#  124 TYR  HB+         124 TYR  HN          4.50    (#    820:10        Unique  2.39, 3.11 A)
 &rst
  ixpk= 820, nxpk= 10, iat=  -1,1955, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1959,1960,
 &end
#
#  124 TYR  HB-         124 TYR  HN          3.00    (#    821:10        Unique  2.39, 3.11 A)
 &rst
  ixpk= 821, nxpk= 10, iat=  -1,1955, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1959,1960,
 &end
#
#    0 AMB  10-2:822    124 TYR  HN          4.00    (#    822:10        Single  0.00, 0.00  )
 &rst
  ixpk= 822, nxpk= 10, iat=  -1,1955, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
      1909,1910,1928,1929,
 &end
#
#  122 ARG  HB-         124 TYR  HN          4.00    (#    823:10        Unique  3.20, 5.40 A)
 &rst
  ixpk= 823, nxpk= 10, iat=  -1,1955, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1928,1929,
 &end
#
#   24 ASP  HB+          25 LYS  HN          3.00    (#    824:10        Unique  2.11, 3.36 A)
 &rst
  ixpk= 824, nxpk= 10, iat=  -1, 384, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 376, 377,
 &end
#
#   24 ASP  HA           25 LYS  HN          3.00    (#    825:10        Unique  2.30, 2.36 A)
 &rst
  ixpk= 825, nxpk= 10, iat= 374, 384, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   25 LYS  HB+          25 LYS  HN          4.00    (#    826:10        Unique  2.46, 3.09 A)
 &rst
  ixpk= 826, nxpk= 10, iat=  -1, 384, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 388, 389,
 &end
#
#   25 LYS  HG+          25 LYS  HN          3.50    (#    827:10        Unique  1.82, 3.07 A)
 &rst
  ixpk= 827, nxpk= 10, iat=  -1, 384, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 391, 392,
 &end
#
#   25 LYS  HG-          25 LYS  HN          4.00    (#    828:10        Unique  1.82, 3.07 A)
 &rst
  ixpk= 828, nxpk= 10, iat=  -1, 384, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 391, 392,
 &end
#
#    0 AMB  10-2:831     90 ASP  HN          3.50    (#    831:10        Single  0.00, 0.00  )
 &rst
  ixpk= 831, nxpk= 10, iat=  -1,1434, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1426,1427,1438,1439,
 &end
#
#   91 ASP  HN           90 ASP  HN          3.00    (#    832:10        Unique  1.86, 2.33 A)
 &rst
  ixpk= 832, nxpk= 10, iat=1446,1434, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:833     90 ASP  HN          4.00    (#    833:10        Single  0.00, 0.00  )
 &rst
  ixpk= 833, nxpk= 10, iat=  -1,1434, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1424,1448,
 &end
#
#  110 GLN  HN          111 GLU  HN          3.50    (#    834:10        Unique  3.00, 3.03 A)
 &rst
  ixpk= 834, nxpk= 10, iat=1724,1741, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  112 ALA  HN          111 GLU  HN          3.00    (#    835:10        Unique  2.87, 3.00 A)
 &rst
  ixpk= 835, nxpk= 10, iat=1756,1741, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  111 GLU  HA          111 GLU  HN          3.00    (#    836:10        Unique  2.70, 2.71 A)
 &rst
  ixpk= 836, nxpk= 10, iat=1743,1741, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  111 GLU  HG+         111 GLU  HN          3.00    (#    837:10        Unique  2.11, 2.90 A)
 &rst
  ixpk= 837, nxpk= 10, iat=  -1,1741, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1748,1749,
 &end
#
#    0 AMB  10-2:838    111 GLU  HN          3.50    (#    838:10        Single  0.00, 0.00  )
 &rst
  ixpk= 838, nxpk= 10, iat=  -1,1741, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1728,1729,1745,1746,
 &end
#
#  110 GLN  HB-         111 GLU  HN          3.00    (#    839:10        Unique  2.07, 2.75 A)
 &rst
  ixpk= 839, nxpk= 10, iat=  -1,1741, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1728,1729,
 &end
#
#  110 GLN  HA          111 GLU  HN          4.00    (#    840:10        Unique  3.57, 3.57 A)
 &rst
  ixpk= 840, nxpk= 10, iat=1726,1741, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  112 ALA  MB          111 GLU  HN          6.00    (#    841:10        Unique  4.70, 5.68 A)
 &rst
  ixpk= 841, nxpk= 10, iat=  -1,1741, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1760,1761,1762,
 &end
#
#    0 AMB  10-2:844     63 VAL  HN          3.00    (#    844:10        Single  0.00, 0.00  )
 &rst
  ixpk= 844, nxpk= 10, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 752, 745, 746,
 &end
#
#   63 VAL  MGY          63 VAL  HN          4.00    (#    845:10        Unique  2.19, 3.56 A)
 &rst
  ixpk= 845, nxpk= 10, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1049,1050,1051,1053,1054,1055,
 &end
#
#   48 TRP  HN           63 VAL  HN          5.00    (#    846:10        Unique  3.59, 3.91 A)
 &rst
  ixpk= 846, nxpk= 10, iat= 772,1043, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:847     63 VAL  HN          5.00    (#    847:10        Single  0.00, 0.00  )
 &rst
  ixpk= 847, nxpk= 10, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1029,1059,1345,
 &end
#
#   62 THR  HA           63 VAL  HN          2.80    (#    848:10        Unique  2.14, 2.15 A)
 &rst
  ixpk= 848, nxpk= 10, iat=1031,1043, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   62 THR  HB           63 VAL  HN          5.00    (#    850:10        Unique  3.81, 4.10 A)
 &rst
  ixpk= 850, nxpk= 10, iat=1033,1043, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   45 MET  ME           63 VAL  HN          4.00    (#    851:10        Unique  2.02, 3.09 A)
 &rst
  ixpk= 851, nxpk= 10, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 737, 738, 739,
 &end
#
#    0 AMB  10-2:852     63 VAL  HN          3.80    (#    852:10        Single  0.00, 0.00  )
 &rst
  ixpk= 852, nxpk= 10, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr1=1035,1036,1037,1377,1378,
 &end
#
#  108 ASP  HN          107 ASP  HN          3.00    (#    854:10        Unique  2.53, 2.59 A)
 &rst
  ixpk= 854, nxpk= 10, iat=1698,1686, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  106 ASP  HA          107 ASP  HN          3.00    (#    855:10        Unique  2.71, 2.74 A)
 &rst
  ixpk= 855, nxpk= 10, iat=1676,1686, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  107 ASP  HA          107 ASP  HN          3.00    (#    856:10        Unique  2.84, 2.86 A)
 &rst
  ixpk= 856, nxpk= 10, iat=1688,1686, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  106 ASP  HB+         107 ASP  HN          3.00    (#    857:10        Unique  2.08, 2.89 A)
 &rst
  ixpk= 857, nxpk= 10, iat=  -1,1686, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1678,1679,
 &end
#
#    0 AMB  10-2:858    107 ASP  HN          3.00    (#    858:10        Single  0.00, 0.00  )
 &rst
  ixpk= 858, nxpk= 10, iat=  -1,1686, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1678,1679,1690,1691,
 &end
#
#  107 ASP  HB-         107 ASP  HN          3.00    (#    859:10        Unique  2.09, 2.94 A)
 &rst
  ixpk= 859, nxpk= 10, iat=  -1,1686, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1690,1691,
 &end
#
#  111 GLU  HN          110 GLN  HN          3.00    (#    864:10        Unique  3.00, 3.03 A)
 &rst
  ixpk= 864, nxpk= 10, iat=1741,1724, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  109 THR  HN          110 GLN  HN          3.00    (#    865:10        Unique  2.89, 2.96 A)
 &rst
  ixpk= 865, nxpk= 10, iat=1710,1724, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  107 ASP  HA          110 GLN  HN          4.00    (#    866:10        Unique  3.86, 3.93 A)
 &rst
  ixpk= 866, nxpk= 10, iat=1688,1724, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  109 THR  HB          110 GLN  HN          2.80    (#    867:10        Unique  2.17, 2.22 A)
 &rst
  ixpk= 867, nxpk= 10, iat=1714,1724, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#  110 GLN  HA          110 GLN  HN          3.00    (#    868:10        Unique  2.74, 2.75 A)
 &rst
  ixpk= 868, nxpk= 10, iat=1726,1724, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  109 THR  HA          110 GLN  HN          4.00    (#    869:10        Unique  3.57, 3.57 A)
 &rst
  ixpk= 869, nxpk= 10, iat=1712,1724, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:870      0 AMB  10-1:870    4.80    (#    870:10        Double  0.00, 0.00  )
 &rst
  ixpk= 870, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.26, r4= 7.76,
 igr1= 428, 429,1731,1732,1731,1732,
 igr2= 372,1724,
 &end
#
#    0 AMB  10-2:871    110 GLN  HN          3.00    (#    871:10        Single  0.00, 0.00  )
 &rst
  ixpk= 871, nxpk= 10, iat=  -1,1724, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1728,1729,1662,
 &end
#
#    0 AMB  10-2:872      0 AMB  10-1:872    5.00    (#    872:10        Double  0.00, 0.00  )
 &rst
  ixpk= 872, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1770, 645, 661, 662, 394, 395,
 igr2=1724, 372,
 &end
#
#  105 VAL  MGX         110 GLN  HN          3.00    (#    873:10        Unique  2.60, 4.40 A)
 &rst
  ixpk= 873, nxpk= 10, iat=  -1,1724, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1664,1665,1666,1668,1669,1670,
 &end
#
#  109 THR  MG2         110 GLN  HN          4.00    (#    874:10        Unique  2.57, 3.68 A)
 &rst
  ixpk= 874, nxpk= 10, iat=  -1,1724, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1716,1717,1718,
 &end
#
#  126 PHE  HN           32 TRP  HE1         5.70    (#    875:10        Unique  7.83, 8.54 A)
 &rst
  ixpk= 875, nxpk= 10, iat=1998, 504, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#   32 TRP  HZ2          32 TRP  HE1         3.50    (#    876:10        Unique  2.82, 2.82 A)
 &rst
  ixpk= 876, nxpk= 10, iat= 507, 504, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  119 TRP  HZ2          32 TRP  HE1         4.00    (#    878:10        Unique  4.46, 4.65 A)
 &rst
  ixpk= 878, nxpk= 10, iat=1884, 504, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   32 TRP  HD1          32 TRP  HE1         3.00    (#    879:10        Unique  2.57, 2.57 A)
 &rst
  ixpk= 879, nxpk= 10, iat= 502, 504, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:881     32 TRP  HE1         6.00    (#    881:10        Single  0.00, 0.00  )
 &rst
  ixpk= 881, nxpk= 10, iat=  -1, 504, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 224, 225, 226, 285,
 &end
#
#   19 ILE  QD1          32 TRP  HE1         3.50    (#    882:10        Unique  1.93, 2.99 A)
 &rst
  ixpk= 882, nxpk= 10, iat=  -1, 504, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 313, 314, 315,
 &end
#
#   19 ILE  QG2          32 TRP  HE1         4.00    (#    883:10        Unique  2.64, 4.14 A)
 &rst
  ixpk= 883, nxpk= 10, iat=  -1, 504, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 306, 307, 308,
 &end
#
#   18 ILE  QG2          32 TRP  HE1         6.00    (#    884:10        Unique  3.09, 3.97 A)
 &rst
  ixpk= 884, nxpk= 10, iat=  -1, 504, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 287, 288, 289,
 &end
#
#    0 AMB  10-2:885     27 GLU  HN          3.00    (#    885:10        Single  0.00, 0.00  )
 &rst
  ixpk= 885, nxpk= 10, iat=  -1, 421, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 406, 436,
 &end
#
#   24 ASP  HN           27 GLU  HN          4.00    (#    886:10        Unique  3.83, 3.93 A)
 &rst
  ixpk= 886, nxpk= 10, iat= 372, 421, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:887      0 AMB  10-1:887    7.00    (#    887:10        Double  0.00, 0.00  )
 &rst
  ixpk= 887, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 923, 386, 349,
 igr2= 897, 421,
 &end
#
#    0 AMB  10-2:888     27 GLU  HN          3.00    (#    888:10        Single  0.00, 0.00  )
 &rst
  ixpk= 888, nxpk= 10, iat=  -1, 421, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 423, 408,
 &end
#
#   27 GLU  HG-          27 GLU  HN          3.00    (#    889:10        Unique  1.90, 2.72 A)
 &rst
  ixpk= 889, nxpk= 10, iat=  -1, 421, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 428, 429,
 &end
#
#   27 GLU  HG+          27 GLU  HN          3.00    (#    890:10        Unique  1.90, 2.72 A)
 &rst
  ixpk= 890, nxpk= 10, iat=  -1, 421, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 428, 429,
 &end
#
#   26 GLU  HB-          27 GLU  HN          3.00    (#    891:10        Unique  2.10, 2.73 A)
 &rst
  ixpk= 891, nxpk= 10, iat=  -1, 421, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 410, 411,
 &end
#
#   22 ALA  MB           27 GLU  HN          5.00    (#    892:10        Unique  4.84, 5.62 A)
 &rst
  ixpk= 892, nxpk= 10, iat=  -1, 421, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 351, 352, 353,
 &end
#
#    0 AMB  10-2:894     24 ASP  HN          4.00    (#    894:10        Single  0.00, 0.00  )
 &rst
  ixpk= 894, nxpk= 10, iat=  -1, 372, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 436, 384,
 &end
#
#    0 AMB  10-2:896      0 AMB  10-1:896    3.00    (#    896:10        Double  0.00, 0.00  )
 &rst
  ixpk= 896, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 425, 426,1728,1729,
 igr2= 372,1724,
 &end
#
#   23 GLU  HA           24 ASP  HN          4.00    (#    898:10        Unique  3.25, 3.32 A)
 &rst
  ixpk= 898, nxpk= 10, iat= 359, 372, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:899     24 ASP  HN          5.50    (#    899:10        Single  0.00, 0.00  )
 &rst
  ixpk= 899, nxpk= 10, iat=  -1, 372, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 423, 408,
 &end
#
#   24 ASP  HB+          24 ASP  HN          3.50    (#    900:10        Unique  2.13, 2.79 A)
 &rst
  ixpk= 900, nxpk= 10, iat=  -1, 372, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 376, 377,
 &end
#
#   22 ALA  MB           24 ASP  HN          4.00    (#    902:10        Unique  4.10, 4.81 A)
 &rst
  ixpk= 902, nxpk= 10, iat=  -1, 372, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 351, 352, 353,
 &end
#
#   28 ARG  HN           24 ASP  HN          4.00    (#    903:10        Unique  3.27, 3.60 A)
 &rst
  ixpk= 903, nxpk= 10, iat= 436, 372, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   24 ASP  HA           24 ASP  HN          3.00    (#    904:10        Unique  2.89, 2.89 A)
 &rst
  ixpk= 904, nxpk= 10, iat= 374, 372, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   16 THR  HN           17 GLU  HN          4.50    (#    905:10        Unique  2.68, 2.80 A)
 &rst
  ixpk= 905, nxpk= 10, iat= 252, 266, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   18 ILE  HN           17 GLU  HN          4.00    (#    906:10        Unique  1.69, 1.77 A)
 &rst
  ixpk= 906, nxpk= 10, iat= 281, 266, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   17 GLU  HA           17 GLU  HN          4.50    (#    908:10        Unique  2.92, 2.93 A)
 &rst
  ixpk= 908, nxpk= 10, iat= 268, 266, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   16 THR  HA           17 GLU  HN          4.50    (#    909:10        Unique  2.87, 2.95 A)
 &rst
  ixpk= 909, nxpk= 10, iat= 254, 266, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   17 GLU  HG-          17 GLU  HN          5.00    (#    911:10        Unique  2.90, 3.52 A)
 &rst
  ixpk= 911, nxpk= 10, iat=  -1, 266, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 273, 274,
 &end
#
#   17 GLU  HB+          17 GLU  HN          5.00    (#    912:10        Unique  2.76, 3.34 A)
 &rst
  ixpk= 912, nxpk= 10, iat=  -1, 266, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 270, 271,
 &end
#
#   17 GLU  HB-          17 GLU  HN          5.00    (#    913:10        Unique  2.76, 3.34 A)
 &rst
  ixpk= 913, nxpk= 10, iat=  -1, 266, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 270, 271,
 &end
#
#    0 AMB  10-2:914     17 GLU  HN          6.00    (#    914:10        Single  0.00, 0.00  )
 &rst
  ixpk= 914, nxpk= 10, iat=  -1, 266, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 310, 311, 285,
 &end
#
#    0 AMB  10-2:915     17 GLU  HN          6.00    (#    915:10        Single  0.00, 0.00  )
 &rst
  ixpk= 915, nxpk= 10, iat=  -1, 266, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 313, 314, 315, 258, 259, 260,
 &end
#
#    0 AMB  10-2:916     17 GLU  HN          6.00    (#    916:10        Single  0.00, 0.00  )
 &rst
  ixpk= 916, nxpk= 10, iat=  -1, 266, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 325, 326, 327, 329, 330, 331, 325, 326, 327, 329,
       330, 331,
 &end
#
#   16 THR  HB           17 GLU  HN          6.00    (#    917:10        Unique  4.51, 4.54 A)
 &rst
  ixpk= 917, nxpk= 10, iat= 256, 266, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   73 GLU  HA           73 GLU  HN          3.00    (#    918:10        Unique  2.91, 2.93 A)
 &rst
  ixpk= 918, nxpk= 10, iat=1183,1181, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   79 TYR  HB-          73 GLU  HN          7.50    (#    919:10        Unique  5.82, 8.04 A)
 &rst
  ixpk= 919, nxpk= 10, iat=  -1,1181, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
 igr1=1281,1282,
 &end
#
#   72 ASP  HB-          73 GLU  HN          4.00    (#    920:10        Unique  3.06, 4.19 A)
 &rst
  ixpk= 920, nxpk= 10, iat=  -1,1181, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1173,1174,
 &end
#
#    0 AMB  10-2:921     73 GLU  HN          4.80    (#    921:10        Single  0.00, 0.00  )
 &rst
  ixpk= 921, nxpk= 10, iat=  -1,1181, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1150,1151,1161,1162,
 &end
#
#    0 AMB  10-2:922     74 CYS  HN          5.00    (#    922:10        Single  0.00, 0.00  )
 &rst
  ixpk= 922, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1169,1133,
 &end
#
#   73 GLU  HN           74 CYS  HN          3.00    (#    923:10        Unique  1.98, 2.13 A)
 &rst
  ixpk= 923, nxpk= 10, iat=1181,1196, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   75 LEU  HN           74 CYS  HN          4.00    (#    924:10        Unique  3.63, 3.93 A)
 &rst
  ixpk= 924, nxpk= 10, iat=1207,1196, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   74 CYS  HA           74 CYS  HN          3.50    (#    925:10        Unique  2.81, 2.86 A)
 &rst
  ixpk= 925, nxpk= 10, iat=1198,1196, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   73 GLU  HA           74 CYS  HN          4.00    (#    927:10        Unique  3.52, 3.56 A)
 &rst
  ixpk= 927, nxpk= 10, iat=1183,1196, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   72 ASP  HA           74 CYS  HN          5.00    (#    928:10        Unique  4.60, 4.97 A)
 &rst
  ixpk= 928, nxpk= 10, iat=1171,1196, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   74 CYS  HB+          74 CYS  HN          4.00    (#    929:10        Unique  2.45, 3.14 A)
 &rst
  ixpk= 929, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1200,1201,
 &end
#
#   71 ASP  HA           74 CYS  HN          4.50    (#    930:10        Unique  2.82, 3.52 A)
 &rst
  ixpk= 930, nxpk= 10, iat=1159,1196, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   74 CYS  HB-          74 CYS  HN          4.00    (#    931:10        Unique  2.45, 3.14 A)
 &rst
  ixpk= 931, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1200,1201,
 &end
#
#    0 AMB  10-2:932     74 CYS  HN          3.50    (#    932:10        Single  0.00, 0.00  )
 &rst
  ixpk= 932, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1185,1186,1188,1189,
 &end
#
#   73 GLU  HB-          74 CYS  HN          4.00    (#    933:10        Unique  2.33, 3.01 A)
 &rst
  ixpk= 933, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1185,1186,
 &end
#
#    0 AMB  10-2:934     74 CYS  HN          5.00    (#    934:10        Single  0.00, 0.00  )
 &rst
  ixpk= 934, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr1=1127,1128,1129,1211,1212,1236,1237,
 &end
#
#    0 AMB  10-2:935     74 CYS  HN          5.50    (#    935:10        Single  0.00, 0.00  )
 &rst
  ixpk= 935, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1214, 481, 482, 483,
 &end
#
#   75 LEU  MDX          74 CYS  HN          5.00    (#    936:10        Unique  4.09, 5.79 A)
 &rst
  ixpk= 936, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1216,1217,1218,1220,1221,1222,
 &end
#
#    5 GLU  HN            4 VAL  HN          5.00    (#    937:10        Unique  2.30, 2.61 A)
 &rst
  ixpk= 937, nxpk= 10, iat=  58,  42, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    4 VAL  HA            4 VAL  HN          3.00    (#    939:10        Unique  2.91, 2.93 A)
 &rst
  ixpk= 939, nxpk= 10, iat=  44,  42, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:940      4 VAL  HN          4.00    (#    940:10        Single  0.00, 0.00  )
 &rst
  ixpk= 940, nxpk= 10, iat=  -1,  42, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=  35,  36,  35,  36,
 &end
#
#  122 ARG  HD+           4 VAL  HN          5.00    (#    942:10        Unique  3.80, 4.96 A)
 &rst
  ixpk= 942, nxpk= 10, iat=  -1,  42, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1934,1935,
 &end
#
#    4 VAL  HB            4 VAL  HN          3.50    (#    943:10        Unique  2.71, 2.87 A)
 &rst
  ixpk= 943, nxpk= 10, iat=  46,  42, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    2 ALA  MB            4 VAL  HN          4.00    (#    944:10        Unique  2.68, 4.24 A)
 &rst
  ixpk= 944, nxpk= 10, iat=  -1,  42, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=  25,  26,  27,
 &end
#
#    4 VAL  MGY           4 VAL  HN          4.00    (#    945:10        Unique  1.94, 3.75 A)
 &rst
  ixpk= 945, nxpk= 10, iat=  -1,  42, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=  48,  49,  50,  52,  53,  54,
 &end
#
#   72 ASP  HN           73 GLU  HN          3.00    (#    946:10        Unique  2.45, 2.85 A)
 &rst
  ixpk= 946, nxpk= 10, iat=1169,1181, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   74 CYS  HN           73 GLU  HN          2.80    (#    947:10        Unique  1.98, 2.13 A)
 &rst
  ixpk= 947, nxpk= 10, iat=1196,1181, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   72 ASP  HA           73 GLU  HN          3.50    (#    948:10        Unique  2.82, 3.03 A)
 &rst
  ixpk= 948, nxpk= 10, iat=1171,1181, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   70 PRO  HB+          73 GLU  HN          5.00    (#    949:10        Unique  3.77, 5.15 A)
 &rst
  ixpk= 949, nxpk= 10, iat=  -1,1181, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1150,1151,
 &end
#
#   71 ASP  HB-          73 GLU  HN          5.00    (#    950:10        Unique  4.72, 5.17 A)
 &rst
  ixpk= 950, nxpk= 10, iat=  -1,1181, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1161,1162,
 &end
#
#   18 ILE  HG1+         18 ILE  HN          5.00    (#    951:10        Unique  2.27, 3.33 A)
 &rst
  ixpk= 951, nxpk= 10, iat=  -1, 281, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 291, 292,
 &end
#
#   36 LEU  HA           37 ASP  HN          4.00    (#    952:10        Unique  3.55, 3.56 A)
 &rst
  ixpk= 952, nxpk= 10, iat= 583, 600, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   36 LEU  HN           37 ASP  HN          3.50    (#    953:10        Unique  2.64, 2.77 A)
 &rst
  ixpk= 953, nxpk= 10, iat= 581, 600, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   38 ASP  HN           37 ASP  HN          3.50    (#    955:10        Unique  2.56, 2.68 A)
 &rst
  ixpk= 955, nxpk= 10, iat= 612, 600, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   37 ASP  HA           37 ASP  HN          3.00    (#    956:10        Unique  2.78, 2.83 A)
 &rst
  ixpk= 956, nxpk= 10, iat= 602, 600, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   37 ASP  HB+          37 ASP  HN          3.00    (#    957:10        Unique  2.07, 2.67 A)
 &rst
  ixpk= 957, nxpk= 10, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 604, 605,
 &end
#
#   37 ASP  HB-          37 ASP  HN          3.00    (#    958:10        Unique  2.07, 2.67 A)
 &rst
  ixpk= 958, nxpk= 10, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 604, 605,
 &end
#
#    0 AMB  10-2:959     37 ASP  HN          4.00    (#    959:10        Single  0.00, 0.00  )
 &rst
  ixpk= 959, nxpk= 10, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 585, 586,1123,1124,
 &end
#
#   68 MET  ME           37 ASP  HN          4.00    (#    960:10        Unique  3.08, 5.15 A)
 &rst
  ixpk= 960, nxpk= 10, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1127,1128,1129,
 &end
#
#   36 LEU  HB+          37 ASP  HN          3.50    (#    961:10        Unique  2.21, 2.94 A)
 &rst
  ixpk= 961, nxpk= 10, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 585, 586,
 &end
#
#   36 LEU  MDY          37 ASP  HN          5.00    (#    962:10        Unique  2.52, 5.03 A)
 &rst
  ixpk= 962, nxpk= 10, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 590, 591, 592, 594, 595, 596,
 &end
#
#   36 LEU  MDX          37 ASP  HN          5.00    (#    963:10        Unique  2.52, 5.03 A)
 &rst
  ixpk= 963, nxpk= 10, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 590, 591, 592, 594, 595, 596,
 &end
#
#   11 GLU  HN           12 HIS  HN          4.00    (#    964:10        Unique  3.23, 3.32 A)
 &rst
  ixpk= 964, nxpk= 10, iat= 162, 177, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   13 ARG  HN           12 HIS  HN          3.50    (#    966:10        Unique  2.94, 2.99 A)
 &rst
  ixpk= 966, nxpk= 10, iat= 194, 177, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   12 HIS  HA           12 HIS  HN          3.00    (#    967:10        Unique  2.78, 2.81 A)
 &rst
  ixpk= 967, nxpk= 10, iat= 179, 177, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    8 GLU  HA           12 HIS  HN          4.20    (#    968:10        Unique  3.29, 3.84 A)
 &rst
  ixpk= 968, nxpk= 10, iat= 111, 177, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   12 HIS  HB+          12 HIS  HN          3.00    (#    969:10        Unique  2.22, 2.86 A)
 &rst
  ixpk= 969, nxpk= 10, iat=  -1, 177, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 181, 182,
 &end
#
#   12 HIS  HB-          12 HIS  HN          4.00    (#    970:10        Unique  2.22, 2.86 A)
 &rst
  ixpk= 970, nxpk= 10, iat=  -1, 177, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 181, 182,
 &end
#
#   11 GLU  HG-          12 HIS  HN          4.20    (#    971:10        Unique  2.52, 4.10 A)
 &rst
  ixpk= 971, nxpk= 10, iat=  -1, 177, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 169, 170,
 &end
#
#   11 GLU  HB+          12 HIS  HN          3.60    (#    972:10        Unique  1.96, 2.58 A)
 &rst
  ixpk= 972, nxpk= 10, iat=  -1, 177, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 166, 167,
 &end
#
#   17 GLU  HN           18 ILE  HN          4.00    (#    974:10        Unique  1.69, 1.77 A)
 &rst
  ixpk= 974, nxpk= 10, iat= 266, 281, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   19 ILE  HN           18 ILE  HN          4.00    (#    975:10        Unique  2.04, 2.44 A)
 &rst
  ixpk= 975, nxpk= 10, iat= 300, 281, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   17 GLU  HA           18 ILE  HN          5.00    (#    977:10        Unique  3.46, 3.49 A)
 &rst
  ixpk= 977, nxpk= 10, iat= 268, 281, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   18 ILE  HA           18 ILE  HN          4.50    (#    978:10        Unique  2.92, 2.93 A)
 &rst
  ixpk= 978, nxpk= 10, iat= 283, 281, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   14 ILE  HA           18 ILE  HN          5.00    (#    979:10        Unique  2.90, 3.39 A)
 &rst
  ixpk= 979, nxpk= 10, iat= 220, 281, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:980     18 ILE  HN          6.00    (#    980:10        Single  0.00, 0.00  )
 &rst
  ixpk= 980, nxpk= 10, iat=  -1, 281, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 273, 274, 222,
 &end
#
#   17 GLU  HB+          18 ILE  HN          5.00    (#    981:10        Unique  2.65, 3.36 A)
 &rst
  ixpk= 981, nxpk= 10, iat=  -1, 281, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 270, 271,
 &end
#
#   17 GLU  HB-          18 ILE  HN          5.00    (#    982:10        Unique  2.65, 3.36 A)
 &rst
  ixpk= 982, nxpk= 10, iat=  -1, 281, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 270, 271,
 &end
#
#   18 ILE  HB           18 ILE  HN          4.00    (#    983:10        Unique  2.36, 2.46 A)
 &rst
  ixpk= 983, nxpk= 10, iat= 285, 281, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:984     18 ILE  HN          5.00    (#    984:10        Single  0.00, 0.00  )
 &rst
  ixpk= 984, nxpk= 10, iat=  -1, 281, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 291, 292, 325, 326, 327, 329, 330, 331,
 &end
#
#   18 ILE  QD1          18 ILE  HN          6.00    (#    985:10        Unique  4.16, 4.81 A)
 &rst
  ixpk= 985, nxpk= 10, iat=  -1, 281, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 294, 295, 296,
 &end
#
#   18 ILE  QG2          18 ILE  HN          4.00    (#    986:10        Unique  4.15, 4.53 A)
 &rst
  ixpk= 986, nxpk= 10, iat=  -1, 281, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 287, 288, 289,
 &end
#
#   10 ARG  HN           11 GLU  HN          4.50    (#    988:10        Unique  2.42, 2.49 A)
 &rst
  ixpk= 988, nxpk= 10, iat= 138, 162, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    8 GLU  HA           11 GLU  HN          4.00    (#    990:10        Unique  3.42, 3.51 A)
 &rst
  ixpk= 990, nxpk= 10, iat= 111, 162, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   11 GLU  HG+          11 GLU  HN          3.80    (#    991:10        Unique  1.97, 3.12 A)
 &rst
  ixpk= 991, nxpk= 10, iat=  -1, 162, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1= 169, 170,
 &end
#
#   11 GLU  HG-          11 GLU  HN          3.80    (#    992:10        Unique  1.97, 3.12 A)
 &rst
  ixpk= 992, nxpk= 10, iat=  -1, 162, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1= 169, 170,
 &end
#
#   11 GLU  HB+          11 GLU  HN          3.00    (#    993:10        Unique  2.27, 2.97 A)
 &rst
  ixpk= 993, nxpk= 10, iat=  -1, 162, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 166, 167,
 &end
#
#   14 ILE  QG2          11 GLU  HN          6.00    (#    994:10        Unique  4.51, 5.58 A)
 &rst
  ixpk= 994, nxpk= 10, iat=  -1, 162, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 224, 225, 226,
 &end
#
#  118 TYR  HN          117 LEU  HN          3.50    (#    996:10        Unique  2.70, 2.87 A)
 &rst
  ixpk= 996, nxpk= 10, iat=1850,1831, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  116 TRP  HN          117 LEU  HN          3.50    (#    997:10        Unique  2.52, 2.74 A)
 &rst
  ixpk= 997, nxpk= 10, iat=1807,1831, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  114 ALA  HA          117 LEU  HN          4.00    (#    998:10        Unique  3.23, 3.45 A)
 &rst
  ixpk= 998, nxpk= 10, iat=1787,1831, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:999    117 LEU  HN          3.00    (#    999:10        Single  0.00, 0.00  )
 &rst
  ixpk= 999, nxpk= 10, iat=  -1,1831, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1833,1768,
 &end
#
#  116 TRP  HB+         117 LEU  HN          4.00    (#   1000:10        Unique  2.25, 3.28 A)
 &rst
  ixpk= 1000, nxpk= 10, iat=  -1,1831, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1811,1812,
 &end
#
#  116 TRP  HB-         117 LEU  HN          4.00    (#   1001:10        Unique  2.25, 3.28 A)
 &rst
  ixpk= 1001, nxpk= 10, iat=  -1,1831, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1811,1812,
 &end
#
#  117 LEU  HG          117 LEU  HN          3.00    (#   1002:10        Unique  2.16, 2.55 A)
 &rst
  ixpk= 1002, nxpk= 10, iat=1838,1831, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  117 LEU  HB-         117 LEU  HN          3.80    (#   1003:10        Unique  2.24, 3.01 A)
 &rst
  ixpk= 1003, nxpk= 10, iat=  -1,1831, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1=1835,1836,
 &end
#
#  117 LEU  HB+         117 LEU  HN          3.00    (#   1004:10        Unique  2.24, 3.01 A)
 &rst
  ixpk= 1004, nxpk= 10, iat=  -1,1831, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1835,1836,
 &end
#
#  117 LEU  MDX         117 LEU  HN          4.50    (#   1005:10        Unique  1.94, 4.26 A)
 &rst
  ixpk= 1005, nxpk= 10, iat=  -1,1831, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1840,1841,1842,1844,1845,1846,
 &end
#
#  117 LEU  MDY         117 LEU  HN          3.20    (#   1006:10        Unique  1.94, 4.26 A)
 &rst
  ixpk= 1006, nxpk= 10, iat=  -1,1831, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1=1840,1841,1842,1844,1845,1846,
 &end
#
#   12 HIS  HN           11 GLU  HN          4.00    (#   1007:10        Unique  3.23, 3.32 A)
 &rst
  ixpk= 1007, nxpk= 10, iat= 177, 162, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   10 ARG  HB-          11 GLU  HN          4.50    (#   1008:10        Unique  1.96, 2.74 A)
 &rst
  ixpk= 1008, nxpk= 10, iat=  -1, 162, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 142, 143,
 &end
#
#   14 ILE  QD1          15 GLU  HN          5.00    (#   1009:10        Unique  5.33, 6.04 A)
 &rst
  ixpk= 1009, nxpk= 10, iat=  -1, 237, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 231, 232, 233,
 &end
#
#    0 AMB  10-2:1010    15 GLU  HN          4.00    (#   1010:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1010, nxpk= 10, iat=  -1, 237, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 258, 259, 260, 313, 314, 315,
 &end
#
#   14 ILE  HN           15 GLU  HN          3.50    (#   1011:10        Unique  2.87, 2.89 A)
 &rst
  ixpk= 1011, nxpk= 10, iat= 218, 237, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   16 THR  HN           15 GLU  HN          3.00    (#   1012:10        Unique  2.47, 2.56 A)
 &rst
  ixpk= 1012, nxpk= 10, iat= 252, 237, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   12 HIS  HA           15 GLU  HN          4.00    (#   1013:10        Unique  3.72, 3.76 A)
 &rst
  ixpk= 1013, nxpk= 10, iat= 179, 237, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   15 GLU  HA           15 GLU  HN          3.00    (#   1014:10        Unique  2.85, 2.87 A)
 &rst
  ixpk= 1014, nxpk= 10, iat= 239, 237, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   14 ILE  HA           15 GLU  HN          4.00    (#   1015:10        Unique  3.48, 3.49 A)
 &rst
  ixpk= 1015, nxpk= 10, iat= 220, 237, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   15 GLU  HG+          15 GLU  HN          4.00    (#   1016:10        Unique  3.81, 4.17 A)
 &rst
  ixpk= 1016, nxpk= 10, iat=  -1, 237, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 244, 245,
 &end
#
#    8 GLU  HB-           9 THR  HN          5.00    (#   1017:10        Unique  3.41, 3.97 A)
 &rst
  ixpk= 1017, nxpk= 10, iat=  -1, 124, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 113, 114,
 &end
#
#   15 GLU  HB-          15 GLU  HN          3.00    (#   1018:10        Unique  2.13, 2.63 A)
 &rst
  ixpk= 1018, nxpk= 10, iat=  -1, 237, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 241, 242,
 &end
#
#   14 ILE  QG2          15 GLU  HN          3.00    (#   1019:10        Unique  2.16, 3.46 A)
 &rst
  ixpk= 1019, nxpk= 10, iat=  -1, 237, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 224, 225, 226,
 &end
#
#   71 ASP  HN           72 ASP  HN          3.00    (#   1020:10        Unique  2.54, 2.72 A)
 &rst
  ixpk= 1020, nxpk= 10, iat=1157,1169, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   73 GLU  HN           72 ASP  HN          3.00    (#   1022:10        Unique  2.45, 2.85 A)
 &rst
  ixpk= 1022, nxpk= 10, iat=1181,1169, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   74 CYS  HN           72 ASP  HN          4.00    (#   1023:10        Unique  4.13, 4.52 A)
 &rst
  ixpk= 1023, nxpk= 10, iat=1196,1169, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   70 PRO  HA           72 ASP  HN          5.00    (#   1025:10        Unique  3.82, 3.93 A)
 &rst
  ixpk= 1025, nxpk= 10, iat=1153,1169, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   72 ASP  HA           72 ASP  HN          3.00    (#   1026:10        Unique  2.77, 2.89 A)
 &rst
  ixpk= 1026, nxpk= 10, iat=1171,1169, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   71 ASP  HA           72 ASP  HN          4.00    (#   1027:10        Unique  3.28, 3.41 A)
 &rst
  ixpk= 1027, nxpk= 10, iat=1159,1169, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   72 ASP  HB-          72 ASP  HN          3.00    (#   1028:10        Unique  2.56, 3.20 A)
 &rst
  ixpk= 1028, nxpk= 10, iat=  -1,1169, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1173,1174,
 &end
#
#   70 PRO  HB+          72 ASP  HN          4.00    (#   1029:10        Unique  2.20, 3.11 A)
 &rst
  ixpk= 1029, nxpk= 10, iat=  -1,1169, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1150,1151,
 &end
#
#    0 AMB  10-2:1030    72 ASP  HN          5.00    (#   1030:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1030, nxpk= 10, iat=  -1,1169, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1188,1189,1185,1186,
 &end
#
#    0 AMB  10-2:1031    72 ASP  HN          3.60    (#   1031:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1031, nxpk= 10, iat=  -1,1169, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1150,1151,1161,1162,
 &end
#
#  126 PHE  HN          125 LYS  HN          3.00    (#   1032:10        Unique  1.70, 2.38 A)
 &rst
  ixpk= 1032, nxpk= 10, iat=1998,1976, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  124 TYR  HN          125 LYS  HN          5.00    (#   1033:10        Unique  2.92, 3.56 A)
 &rst
  ixpk= 1033, nxpk= 10, iat=1955,1976, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  125 LYS  HB+         125 LYS  HN          3.20    (#   1034:10        Unique  2.77, 3.67 A)
 &rst
  ixpk= 1034, nxpk= 10, iat=  -1,1976, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr1=1980,1981,
 &end
#
#  119 TRP  HZ2         125 LYS  HN          5.00    (#   1035:10        Unique  3.45, 5.30 A)
 &rst
  ixpk= 1035, nxpk= 10, iat=1884,1976, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  124 TYR  HE          125 LYS  HN          5.40    (#   1036:10        Unique  3.54, 4.48 A)
 &rst
  ixpk= 1036, nxpk= 10, iat=  -1,1976, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1=1965,1970,
 &end
#
#  124 TYR  HD          125 LYS  HN          4.00    (#   1037:10        Unique  1.88, 3.26 A)
 &rst
  ixpk= 1037, nxpk= 10, iat=  -1,1976, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1963,1972,
 &end
#
#  124 TYR  HA          125 LYS  HN          3.30    (#   1039:10        Unique  2.89, 3.34 A)
 &rst
  ixpk= 1039, nxpk= 10, iat=1957,1976, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  10-2:1040   125 LYS  HN          4.00    (#   1040:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1040, nxpk= 10, iat=  -1,1976, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1980,1981,1986,1987,
 &end
#
#  125 LYS  HG+         125 LYS  HN          3.00    (#   1041:10        Unique  2.41, 3.50 A)
 &rst
  ixpk= 1041, nxpk= 10, iat=  -1,1976, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1983,1984,
 &end
#
#  124 TYR  HB+         125 LYS  HN          3.00    (#   1042:10        Unique  1.60, 3.11 A)
 &rst
  ixpk= 1042, nxpk= 10, iat=  -1,1976, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1959,1960,
 &end
#
#  124 TYR  HB-         125 LYS  HN          4.00    (#   1043:10        Unique  1.60, 3.11 A)
 &rst
  ixpk= 1043, nxpk= 10, iat=  -1,1976, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1959,1960,
 &end
#
#    4 VAL  MGX         122 ARG  HN          4.00    (#   1044:10        Unique  2.74, 4.67 A)
 &rst
  ixpk= 1044, nxpk= 10, iat=  -1,1924, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=  48,  49,  50,  52,  53,  54,
 &end
#
#  114 ALA  HN          113 ILE  HN          3.00    (#   1045:10        Unique  2.92, 2.99 A)
 &rst
  ixpk= 1045, nxpk= 10, iat=1785,1766, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:1046   113 ILE  HN          3.00    (#   1046:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1046, nxpk= 10, iat=  -1,1766, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1768,1726,
 &end
#
#  113 ILE  HG1+        113 ILE  HN          3.80    (#   1047:10        Unique  1.96, 3.10 A)
 &rst
  ixpk= 1047, nxpk= 10, iat=  -1,1766, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1=1776,1777,
 &end
#
#  113 ILE  HB          113 ILE  HN          3.00    (#   1048:10        Unique  2.42, 2.52 A)
 &rst
  ixpk= 1048, nxpk= 10, iat=1770,1766, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  112 ALA  MB          113 ILE  HN          3.00    (#   1049:10        Unique  2.19, 3.11 A)
 &rst
  ixpk= 1049, nxpk= 10, iat=  -1,1766, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1760,1761,1762,
 &end
#
#  113 ILE  QG2         113 ILE  HN          4.00    (#   1050:10        Unique  4.35, 4.52 A)
 &rst
  ixpk= 1050, nxpk= 10, iat=  -1,1766, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1772,1773,1774,
 &end
#
#    0 AMB  10-2:1051   113 ILE  HN          5.00    (#   1051:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1051, nxpk= 10, iat=  -1,1766, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 590, 591, 592, 594, 595, 596,1840,1841,1842,1844,
      1845,1846,
 &end
#
#    0 AMB  10-2:1052   113 ILE  HN          3.80    (#   1052:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1052, nxpk= 10, iat=  -1,1766, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1=1776,1777, 647, 648, 649, 651, 652, 653,
 &end
#
#  113 ILE  QD1         113 ILE  HN          3.20    (#   1053:10        Unique  2.49, 3.51 A)
 &rst
  ixpk= 1053, nxpk= 10, iat=  -1,1766, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr1=1779,1780,1781,
 &end
#
#    0 AMB  10-2:1056     9 THR  HN          3.00    (#   1056:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1056, nxpk= 10, iat=  -1, 124, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 126, 111,
 &end
#
#   10 ARG  HN            9 THR  HN          3.00    (#   1058:10        Unique  2.58, 2.61 A)
 &rst
  ixpk= 1058, nxpk= 10, iat= 138, 124, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    9 THR  HB            9 THR  HN          3.40    (#   1059:10        Unique  2.25, 2.32 A)
 &rst
  ixpk= 1059, nxpk= 10, iat= 128, 124, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
#    8 GLU  HB-           9 THR  HN          5.00    (#   1061:10        Unique  3.41, 3.97 A)
 &rst
  ixpk= 1061, nxpk= 10, iat=  -1, 124, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 113, 114,
 &end
#
#    9 THR  MG2           9 THR  HN          4.00    (#   1062:10        Unique  2.56, 3.45 A)
 &rst
  ixpk= 1062, nxpk= 10, iat=  -1, 124, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 130, 131, 132,
 &end
#
#   71 ASP  HB+          72 ASP  HN          4.00    (#   1064:10        Unique  3.08, 3.95 A)
 &rst
  ixpk= 1064, nxpk= 10, iat=  -1,1169, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1161,1162,
 &end
#
#  121 ALA  HN          122 ARG  HN          3.00    (#   1065:10        Unique  2.65, 2.88 A)
 &rst
  ixpk= 1065, nxpk= 10, iat=1914,1924, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  123 GLY  HN          122 ARG  HN          3.50    (#   1066:10        Unique  2.66, 2.82 A)
 &rst
  ixpk= 1066, nxpk= 10, iat=1948,1924, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  121 ALA  HA          122 ARG  HN          4.00    (#   1068:10        Unique  3.41, 3.52 A)
 &rst
  ixpk= 1068, nxpk= 10, iat=1916,1924, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:1069   122 ARG  HN          5.00    (#   1069:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1069, nxpk= 10, iat=  -1,1924, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1950,1951,1833,
 &end
#
#  122 ARG  HA          122 ARG  HN          3.00    (#   1070:10        Unique  2.75, 2.85 A)
 &rst
  ixpk= 1070, nxpk= 10, iat=1926,1924, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  122 ARG  HD+         122 ARG  HN          5.00    (#   1071:10        Unique  2.64, 4.67 A)
 &rst
  ixpk= 1071, nxpk= 10, iat=  -1,1924, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1934,1935,
 &end
#
#  124 TYR  HN          122 ARG  HN          5.00    (#   1075:10        Unique  3.79, 4.67 A)
 &rst
  ixpk= 1075, nxpk= 10, iat=1955,1924, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:1076   113 ILE  HN          5.00    (#   1076:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1076, nxpk= 10, iat=  -1,1766, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=1789,1790,1791,1545,1546,
 &end
#
#   67 GLY  HA+          68 MET  HN          3.50    (#   1077:10        Unique  2.17, 2.93 A)
 &rst
  ixpk= 1077, nxpk= 10, iat=  -1,1116, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1111,1112,
 &end
#
#   68 MET  HB+          68 MET  HN          4.00    (#   1078:10        Unique  2.77, 3.46 A)
 &rst
  ixpk= 1078, nxpk= 10, iat=  -1,1116, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1120,1121,
 &end
#
#   67 GLY  HA-          68 MET  HN          3.00    (#   1079:10        Unique  2.17, 2.93 A)
 &rst
  ixpk= 1079, nxpk= 10, iat=  -1,1116, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1111,1112,
 &end
#
#   67 GLY  HN           68 MET  HN          4.20    (#   1080:10        Unique  1.83, 3.33 A)
 &rst
  ixpk= 1080, nxpk= 10, iat=1109,1116, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   68 MET  HA           68 MET  HN          3.50    (#   1081:10        Unique  2.27, 2.70 A)
 &rst
  ixpk= 1081, nxpk= 10, iat=1118,1116, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  116 TRP  HZ2          78 MET  HN          3.50    (#   1082:10        Unique  2.28, 2.99 A)
 &rst
  ixpk= 1082, nxpk= 10, iat=1820,1260, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   78 MET  HG-          78 MET  HN          3.50    (#   1083:10        Unique  1.95, 3.05 A)
 &rst
  ixpk= 1083, nxpk= 10, iat=  -1,1260, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1267,1268,
 &end
#
#   78 MET  HA           78 MET  HN          3.50    (#   1084:10        Unique  2.84, 2.88 A)
 &rst
  ixpk= 1084, nxpk= 10, iat=1262,1260, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   77 ASP  HA           78 MET  HN          2.80    (#   1085:10        Unique  2.16, 2.26 A)
 &rst
  ixpk= 1085, nxpk= 10, iat=1250,1260, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   77 ASP  HB+          78 MET  HN          4.00    (#   1086:10        Unique  2.49, 3.43 A)
 &rst
  ixpk= 1086, nxpk= 10, iat=  -1,1260, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1252,1253,
 &end
#
#   77 ASP  HB-          78 MET  HN          4.00    (#   1087:10        Unique  2.49, 3.43 A)
 &rst
  ixpk= 1087, nxpk= 10, iat=  -1,1260, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1252,1253,
 &end
#
#   78 MET  HG+          78 MET  HN          3.50    (#   1088:10        Unique  1.95, 3.05 A)
 &rst
  ixpk= 1088, nxpk= 10, iat=  -1,1260, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1267,1268,
 &end
#
#   78 MET  HB-          78 MET  HN          4.00    (#   1089:10        Unique  2.28, 3.10 A)
 &rst
  ixpk= 1089, nxpk= 10, iat=  -1,1260, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1264,1265,
 &end
#
#    0 AMB  10-2:1090    78 MET  HN          6.00    (#   1090:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1090, nxpk= 10, iat=  -1,1260, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
      1909,1910,
 &end
#
#   40 LEU  HN           39 THR  HN          3.00    (#   1091:10        Unique  2.24, 2.58 A)
 &rst
  ixpk= 1091, nxpk= 10, iat= 638, 624, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:1093    39 THR  HN          4.00    (#   1093:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1093, nxpk= 10, iat=  -1, 624, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 602, 659,
 &end
#
#   39 THR  HB           39 THR  HN          3.00    (#   1094:10        Unique  2.30, 2.38 A)
 &rst
  ixpk= 1094, nxpk= 10, iat= 628, 624, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  112 ALA  MB           39 THR  HN          5.00    (#   1095:10        Unique  5.45, 5.99 A)
 &rst
  ixpk= 1095, nxpk= 10, iat=  -1, 624, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1760,1761,1762,
 &end
#
#   38 ASP  HA           39 THR  HN          4.00    (#   1096:10        Unique  3.47, 3.52 A)
 &rst
  ixpk= 1096, nxpk= 10, iat= 614, 624, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   39 THR  HA           39 THR  HN          3.00    (#   1097:10        Unique  2.83, 2.87 A)
 &rst
  ixpk= 1097, nxpk= 10, iat= 626, 624, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:1098    39 THR  HN          4.00    (#   1098:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1098, nxpk= 10, iat=  -1, 624, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 583, 640,
 &end
#
#   38 ASP  HB+          39 THR  HN          4.00    (#   1099:10        Unique  2.47, 3.29 A)
 &rst
  ixpk= 1099, nxpk= 10, iat=  -1, 624, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 616, 617,
 &end
#
#   38 ASP  HB-          39 THR  HN          4.00    (#   1100:10        Unique  2.47, 3.29 A)
 &rst
  ixpk= 1100, nxpk= 10, iat=  -1, 624, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 616, 617,
 &end
#
#    0 AMB  10-2:1101    39 THR  HN          4.00    (#   1101:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1101, nxpk= 10, iat=  -1, 624, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 630, 631, 632, 590, 591, 592, 594, 595, 596,
 &end
#
#   40 LEU  MDY          39 THR  HN          6.00    (#   1102:10        Unique  4.02, 5.94 A)
 &rst
  ixpk= 1102, nxpk= 10, iat=  -1, 624, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 647, 648, 649, 651, 652, 653,
 &end
#
#    0 AMB  10-2:1103    82 VAL  HN          5.50    (#   1103:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1103, nxpk= 10, iat=  -1,1329, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1474,1509,
 &end
#
#   82 VAL  HA           82 VAL  HN          4.00    (#   1104:10        Unique  2.94, 2.94 A)
 &rst
  ixpk= 1104, nxpk= 10, iat=1331,1329, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   94 THR  HA           82 VAL  HN          4.00    (#   1105:10        Unique  2.97, 3.20 A)
 &rst
  ixpk= 1105, nxpk= 10, iat=1497,1329, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   81 GLU  HA           82 VAL  HN          2.80    (#   1106:10        Unique  2.14, 2.16 A)
 &rst
  ixpk= 1106, nxpk= 10, iat=1316,1329, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  10-2:1109    82 VAL  HN          3.00    (#   1109:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1109, nxpk= 10, iat=  -1,1329, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1464,1465,1466,1468,1469,1470,1464,1465,1466,1468,
      1469,1470,
 &end
#
#   82 VAL  MGY          82 VAL  HN          4.00    (#   1110:10        Unique  2.05, 3.72 A)
 &rst
  ixpk= 1110, nxpk= 10, iat=  -1,1329, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1335,1336,1337,1339,1340,1341,
 &end
#
#   82 VAL  MGX          82 VAL  HN          3.00    (#   1111:10        Unique  2.05, 3.72 A)
 &rst
  ixpk= 1111, nxpk= 10, iat=  -1,1329, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1335,1336,1337,1339,1340,1341,
 &end
#
#   33 TYR  HN           34 TYR  HN          3.50    (#   1112:10        Unique  2.81, 2.94 A)
 &rst
  ixpk= 1112, nxpk= 10, iat= 518, 539, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   34 TYR  HD           34 TYR  HN          4.00    (#   1113:10        Unique  1.98, 3.56 A)
 &rst
  ixpk= 1113, nxpk= 10, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 547, 556,
 &end
#
#    0 AMB  10-2:1114     0 AMB  10-1:1114   5.00    (#   1114:10        Double  0.00, 0.00  )
 &rst
  ixpk= 1114, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 568, 577,1287,1292, 549, 554,
 igr2= 539,1260,
 &end
#
#   33 TYR  HD           34 TYR  HN          4.00    (#   1115:10        Unique  3.44, 4.11 A)
 &rst
  ixpk= 1115, nxpk= 10, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 526, 535,
 &end
#
#   30 MET  HA           34 TYR  HN          4.00    (#   1116:10        Unique  3.62, 3.90 A)
 &rst
  ixpk= 1116, nxpk= 10, iat= 472, 539, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   34 TYR  HA           34 TYR  HN          3.50    (#   1117:10        Unique  2.68, 2.71 A)
 &rst
  ixpk= 1117, nxpk= 10, iat= 541, 539, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   33 TYR  HA           34 TYR  HN          4.50    (#   1118:10        Unique  3.56, 3.57 A)
 &rst
  ixpk= 1118, nxpk= 10, iat= 520, 539, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   34 TYR  HB+          34 TYR  HN          3.00    (#   1119:10        Unique  2.24, 2.93 A)
 &rst
  ixpk= 1119, nxpk= 10, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 543, 544,
 &end
#
#   34 TYR  HB-          34 TYR  HN          3.80    (#   1120:10        Unique  2.24, 2.93 A)
 &rst
  ixpk= 1120, nxpk= 10, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1= 543, 544,
 &end
#
#   33 TYR  HB+          34 TYR  HN          4.00    (#   1121:10        Unique  2.27, 3.09 A)
 &rst
  ixpk= 1121, nxpk= 10, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 522, 523,
 &end
#
#   78 MET  ME           78 MET  HN          4.00    (#   1122:10        Unique  2.47, 4.10 A)
 &rst
  ixpk= 1122, nxpk= 10, iat=  -1,1260, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1271,1272,1273,
 &end
#
#    0 AMB  10-2:1124    94 THR  HN          6.00    (#   1124:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1124, nxpk= 10, iat=  -1,1495, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1509,1474,
 &end
#
#   93 TYR  HD           94 THR  HN          6.50    (#   1125:10        Unique  4.49, 4.99 A)
 &rst
  ixpk= 1125, nxpk= 10, iat=  -1,1495, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr1=1482,1491,
 &end
#
#   48 TRP  HH2          94 THR  HN          4.50    (#   1126:10        Unique  3.49, 4.07 A)
 &rst
  ixpk= 1126, nxpk= 10, iat= 787,1495, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   94 THR  HA           94 THR  HN          3.00    (#   1127:10        Unique  2.93, 2.95 A)
 &rst
  ixpk= 1127, nxpk= 10, iat=1497,1495, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   93 TYR  HA           94 THR  HN          4.50    (#   1128:10        Unique  2.21, 2.45 A)
 &rst
  ixpk= 1128, nxpk= 10, iat=1476,1495, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   94 THR  HB           94 THR  HN          3.50    (#   1129:10        Unique  2.95, 3.06 A)
 &rst
  ixpk= 1129, nxpk= 10, iat=1499,1495, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   93 TYR  HB+          94 THR  HN          4.50    (#   1130:10        Unique  2.40, 2.84 A)
 &rst
  ixpk= 1130, nxpk= 10, iat=  -1,1495, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1478,1479,
 &end
#
#   93 TYR  HB-          94 THR  HN          4.50    (#   1131:10        Unique  2.40, 2.84 A)
 &rst
  ixpk= 1131, nxpk= 10, iat=  -1,1495, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1478,1479,
 &end
#
#   82 VAL  MGX          94 THR  HN          5.00    (#   1133:10        Unique  4.75, 7.00 A)
 &rst
  ixpk= 1133, nxpk= 10, iat=  -1,1495, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1335,1336,1337,1339,1340,1341,
 &end
#
#    0 AMB  10-2:1134   120 LEU  HN          3.00    (#   1134:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1134, nxpk= 10, iat=  -1,1895, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1914,1871,
 &end
#
#  119 TRP  HD1         120 LEU  HN          3.50    (#   1136:10        Unique  2.50, 2.70 A)
 &rst
  ixpk= 1136, nxpk= 10, iat=1879,1895, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  119 TRP  HA          120 LEU  HN          4.00    (#   1137:10        Unique  3.42, 3.45 A)
 &rst
  ixpk= 1137, nxpk= 10, iat=1873,1895, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  120 LEU  HA          120 LEU  HN          3.00    (#   1138:10        Unique  2.88, 2.91 A)
 &rst
  ixpk= 1138, nxpk= 10, iat=1897,1895, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  119 TRP  HB-         120 LEU  HN          4.00    (#   1139:10        Unique  3.05, 3.85 A)
 &rst
  ixpk= 1139, nxpk= 10, iat=  -1,1895, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1875,1876,
 &end
#
#  120 LEU  HB+         120 LEU  HN          3.00    (#   1140:10        Unique  2.11, 2.67 A)
 &rst
  ixpk= 1140, nxpk= 10, iat=  -1,1895, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1899,1900,
 &end
#
#  120 LEU  HB-         120 LEU  HN          3.00    (#   1141:10        Unique  2.11, 2.67 A)
 &rst
  ixpk= 1141, nxpk= 10, iat=  -1,1895, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1899,1900,
 &end
#
#  117 LEU  MDY         120 LEU  HN          5.00    (#   1142:10        Unique  5.69, 7.39 A)
 &rst
  ixpk= 1142, nxpk= 10, iat=  -1,1895, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1840,1841,1842,1844,1845,1846,
 &end
#
#    0 AMB  10-2:1143   120 LEU  HN          4.00    (#   1143:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1143, nxpk= 10, iat=  -1,1895, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
      1909,1910,
 &end
#
#    2 ALA  HA            3 SER  HN          4.00    (#   1144:10        Unique  2.15, 2.50 A)
 &rst
  ixpk= 1144, nxpk= 10, iat=  23,  31, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:1147    57 THR  HN          6.50    (#   1147:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1147, nxpk= 10, iat=  -1, 944, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
 igr1= 950, 951, 952, 925, 926, 927,
 &end
#
#    0 AMB  10-2:1149    57 THR  HN          5.50    (#   1149:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1149, nxpk= 10, iat=  -1, 944, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 946, 935,
 &end
#
#   57 THR  HB           57 THR  HN          5.50    (#   1150:10        Unique  2.29, 2.65 A)
 &rst
  ixpk= 1150, nxpk= 10, iat= 948, 944, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   76 LYS  HA           76 LYS  HN          3.50    (#   1151:10        Unique  2.80, 2.88 A)
 &rst
  ixpk= 1151, nxpk= 10, iat=1228,1226, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   30 MET  HA           30 MET  HN          3.50    (#   1154:10        Unique  2.79, 2.80 A)
 &rst
  ixpk= 1154, nxpk= 10, iat= 472, 470, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:1155    30 MET  HN          4.00    (#   1155:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1155, nxpk= 10, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 462, 522, 523,
 &end
#
#   30 MET  HB-          30 MET  HN          3.50    (#   1156:10        Unique  2.52, 3.09 A)
 &rst
  ixpk= 1156, nxpk= 10, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 474, 475,
 &end
#
#   29 ALA  MB           30 MET  HN          3.00    (#   1157:10        Unique  2.75, 3.57 A)
 &rst
  ixpk= 1157, nxpk= 10, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 464, 465, 466,
 &end
#
#   29 ALA  HN           30 MET  HN          3.20    (#   1158:10        Unique  2.63, 2.69 A)
 &rst
  ixpk= 1158, nxpk= 10, iat= 460, 470, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#    0 AMB  10-2:1159    30 MET  HN          4.00    (#   1159:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1159, nxpk= 10, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 423, 408,
 &end
#
#   30 MET  HB+          30 MET  HN          3.50    (#   1160:10        Unique  2.52, 3.09 A)
 &rst
  ixpk= 1160, nxpk= 10, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 474, 475,
 &end
#
#   30 MET  HG+          30 MET  HN          3.50    (#   1161:10        Unique  1.92, 2.81 A)
 &rst
  ixpk= 1161, nxpk= 10, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 477, 478,
 &end
#
#   30 MET  HG-          30 MET  HN          3.50    (#   1162:10        Unique  1.92, 2.81 A)
 &rst
  ixpk= 1162, nxpk= 10, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 477, 478,
 &end
#
#   30 MET  ME           30 MET  HN          4.00    (#   1163:10        Unique  2.31, 3.27 A)
 &rst
  ixpk= 1163, nxpk= 10, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 481, 482, 483,
 &end
#
#   75 LEU  MDX          30 MET  HN          5.00    (#   1164:10        Unique  4.91, 7.15 A)
 &rst
  ixpk= 1164, nxpk= 10, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1216,1217,1218,1220,1221,1222,
 &end
#
#   77 ASP  HN           76 LYS  HN          2.80    (#   1165:10        Unique  1.76, 1.99 A)
 &rst
  ixpk= 1165, nxpk= 10, iat=1248,1226, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   75 LEU  HN           76 LYS  HN          2.80    (#   1166:10        Unique  1.75, 2.00 A)
 &rst
  ixpk= 1166, nxpk= 10, iat=1207,1226, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   76 LYS  HB+          76 LYS  HN          4.00    (#   1168:10        Unique  2.99, 3.61 A)
 &rst
  ixpk= 1168, nxpk= 10, iat=  -1,1226, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1230,1231,
 &end
#
#   76 LYS  HB-          76 LYS  HN          4.00    (#   1169:10        Unique  2.99, 3.61 A)
 &rst
  ixpk= 1169, nxpk= 10, iat=  -1,1226, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1230,1231,
 &end
#
#    0 AMB  10-2:1170    76 LYS  HN          5.00    (#   1170:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1170, nxpk= 10, iat=  -1,1226, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1214, 481, 482, 483,
 &end
#
#    0 AMB  10-2:1171    76 LYS  HN          3.00    (#   1171:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1171, nxpk= 10, iat=  -1,1226, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1233,1234,1211,1212,
 &end
#
#   74 CYS  HA           76 LYS  HN          4.00    (#   1172:10        Unique  3.07, 3.24 A)
 &rst
  ixpk= 1172, nxpk= 10, iat=1198,1226, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   75 LEU  HA           76 LYS  HN          4.00    (#   1173:10        Unique  3.03, 3.24 A)
 &rst
  ixpk= 1173, nxpk= 10, iat=1209,1226, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   65 VAL  HN           44 PHE  HN          3.50    (#   1174:10        Unique  2.61, 2.89 A)
 &rst
  ixpk= 1174, nxpk= 10, iat=1074, 706, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   45 MET  HN           44 PHE  HN          5.00    (#   1175:10        Unique  4.07, 4.16 A)
 &rst
  ixpk= 1175, nxpk= 10, iat= 726, 706, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   44 PHE  HD           44 PHE  HN          3.60    (#   1176:10        Unique  2.96, 3.99 A)
 &rst
  ixpk= 1176, nxpk= 10, iat=  -1, 706, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 714, 722,
 &end
#
#   43 PRO  HA           44 PHE  HN          2.80    (#   1177:10        Unique  2.24, 2.28 A)
 &rst
  ixpk= 1177, nxpk= 10, iat= 702, 706, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   44 PHE  HA           44 PHE  HN          3.50    (#   1178:10        Unique  2.86, 2.87 A)
 &rst
  ixpk= 1178, nxpk= 10, iat= 708, 706, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   42 PHE  HA           44 PHE  HN          3.50    (#   1179:10        Unique  2.76, 2.89 A)
 &rst
  ixpk= 1179, nxpk= 10, iat= 674, 706, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:1180    44 PHE  HN          4.00    (#   1180:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1180, nxpk= 10, iat=  -1, 706, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 710, 711, 710, 711,
 &end
#
#   42 PHE  HB-          44 PHE  HN          4.00    (#   1181:10        Unique  4.06, 4.72 A)
 &rst
  ixpk= 1181, nxpk= 10, iat=  -1, 706, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 676, 677,
 &end
#
#   42 PHE  HB+          44 PHE  HN          5.00    (#   1182:10        Unique  4.06, 4.72 A)
 &rst
  ixpk= 1182, nxpk= 10, iat=  -1, 706, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 676, 677,
 &end
#
#   43 PRO  HB+          44 PHE  HN          4.00    (#   1183:10        Unique  2.81, 3.29 A)
 &rst
  ixpk= 1183, nxpk= 10, iat=  -1, 706, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 699, 700,
 &end
#
#   43 PRO  HB-          44 PHE  HN          4.00    (#   1184:10        Unique  2.81, 3.29 A)
 &rst
  ixpk= 1184, nxpk= 10, iat=  -1, 706, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 699, 700,
 &end
#
#    0 AMB  10-2:1185    44 PHE  HN          5.00    (#   1185:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1185, nxpk= 10, iat=  -1, 706, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 696, 697, 730, 731,
 &end
#
#   65 VAL  HB           44 PHE  HN          4.50    (#   1186:10        Unique  1.70, 2.08 A)
 &rst
  ixpk= 1186, nxpk= 10, iat=1078, 706, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:1187    44 PHE  HN          6.00    (#   1187:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1187, nxpk= 10, iat=  -1, 706, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1=1664,1665,1666,1668,1669,1670,1779,1780,1781,
 &end
#
#   65 VAL  MGX          44 PHE  HN          4.00    (#   1188:10        Unique  1.67, 3.95 A)
 &rst
  ixpk= 1188, nxpk= 10, iat=  -1, 706, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1080,1081,1082,1084,1085,1086,
 &end
#
#   37 ASP  HN           38 ASP  HN          3.00    (#   1189:10        Unique  2.56, 2.68 A)
 &rst
  ixpk= 1189, nxpk= 10, iat= 600, 612, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   38 ASP  HA           38 ASP  HN          3.00    (#   1190:10        Unique  2.73, 2.78 A)
 &rst
  ixpk= 1190, nxpk= 10, iat= 614, 612, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:1191    38 ASP  HN          3.40    (#   1191:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1191, nxpk= 10, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr1= 562, 602,
 &end
#
#   39 THR  HB           38 ASP  HN          5.00    (#   1192:10        Unique  4.79, 4.89 A)
 &rst
  ixpk= 1192, nxpk= 10, iat= 628, 612, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   38 ASP  HB+          38 ASP  HN          3.00    (#   1193:10        Unique  2.20, 2.54 A)
 &rst
  ixpk= 1193, nxpk= 10, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 616, 617,
 &end
#
#    0 AMB  10-2:1194    38 ASP  HN          4.00    (#   1194:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1194, nxpk= 10, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 616, 617, 604, 605,
 &end
#
#   37 ASP  HB-          38 ASP  HN          4.00    (#   1195:10        Unique  2.46, 3.32 A)
 &rst
  ixpk= 1195, nxpk= 10, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 604, 605,
 &end
#
#   85 ILE  HA           86 GLY  HN          4.00    (#   1198:10        Unique  2.61, 2.64 A)
 &rst
  ixpk= 1198, nxpk= 10, iat=1369,1386, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   86 GLY  HA+          86 GLY  HN          3.00    (#   1199:10        Unique  2.71, 2.81 A)
 &rst
  ixpk= 1199, nxpk= 10, iat=  -1,1386, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1388,1389,
 &end
#
#    0 AMB  10-2:1200    86 GLY  HN          4.00    (#   1200:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1200, nxpk= 10, iat=  -1,1386, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1373,1374,1375,1049,1050,1051,1053,1054,1055,
 &end
#
#   76 LYS  HN           75 LEU  HN          3.00    (#   1203:10        Unique  1.75, 2.00 A)
 &rst
  ixpk= 1203, nxpk= 10, iat=1226,1207, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   77 ASP  HN           75 LEU  HN          4.00    (#   1204:10        Unique  2.92, 3.32 A)
 &rst
  ixpk= 1204, nxpk= 10, iat=1248,1207, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:1205    75 LEU  HN          4.00    (#   1205:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1205, nxpk= 10, iat=  -1,1207, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1196,1290,
 &end
#
#   75 LEU  HA           75 LEU  HN          3.00    (#   1206:10        Unique  2.28, 2.87 A)
 &rst
  ixpk= 1206, nxpk= 10, iat=1209,1207, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:1207    75 LEU  HN          5.00    (#   1207:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1207, nxpk= 10, iat=  -1,1207, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1230,1231,1188,1189,1185,1186,
 &end
#
#    0 AMB  10-2:1208    75 LEU  HN          3.00    (#   1208:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1208, nxpk= 10, iat=  -1,1207, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1211,1212,1236,1237,
 &end
#
#    0 AMB  10-2:1210    75 LEU  HN          3.00    (#   1210:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1210, nxpk= 10, iat=  -1,1207, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1211,1212,1233,1234,
 &end
#
#   75 LEU  MDX          75 LEU  HN          3.40    (#   1212:10        Unique  3.49, 4.88 A)
 &rst
  ixpk= 1212, nxpk= 10, iat=  -1,1207, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1=1216,1217,1218,1220,1221,1222,
 &end
#
#   74 CYS  HA           75 LEU  HN          3.10    (#   1214:10        Unique  2.27, 2.44 A)
 &rst
  ixpk= 1214, nxpk= 10, iat=1198,1207, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,  &end
#
#   18 ILE  HN           19 ILE  HN          4.00    (#   1217:10        Unique  2.04, 2.44 A)
 &rst
  ixpk= 1217, nxpk= 10, iat= 281, 300, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   20 VAL  HN           19 ILE  HN          2.80    (#   1218:10        Unique  1.87, 2.20 A)
 &rst
  ixpk= 1218, nxpk= 10, iat= 319, 300, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   19 ILE  HA           19 ILE  HN          3.50    (#   1219:10        Unique  2.85, 2.92 A)
 &rst
  ixpk= 1219, nxpk= 10, iat= 302, 300, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   19 ILE  HB           19 ILE  HN          4.00    (#   1220:10        Unique  3.29, 3.52 A)
 &rst
  ixpk= 1220, nxpk= 10, iat= 304, 300, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   19 ILE  HG1-         19 ILE  HN          3.20    (#   1221:10        Unique  1.82, 2.66 A)
 &rst
  ixpk= 1221, nxpk= 10, iat=  -1, 300, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr1= 310, 311,
 &end
#
#    0 AMB  10-2:1222    19 ILE  HN          4.00    (#   1222:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1222, nxpk= 10, iat=  -1, 300, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 310, 311, 285,
 &end
#
#   19 ILE  QD1          19 ILE  HN          3.80    (#   1223:10        Unique  1.89, 3.12 A)
 &rst
  ixpk= 1223, nxpk= 10, iat=  -1, 300, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1= 313, 314, 315,
 &end
#
#   19 ILE  QG2          19 ILE  HN          4.00    (#   1224:10        Unique  2.69, 3.95 A)
 &rst
  ixpk= 1224, nxpk= 10, iat=  -1, 300, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 306, 307, 308,
 &end
#
#    0 AMB  10-2:1225    19 ILE  HN          5.00    (#   1225:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1225, nxpk= 10, iat=  -1, 300, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26,
 igr1= 325, 326, 327, 329, 330, 331, 325, 326, 327, 329,
       330, 331, 291, 292,
 &end
#
#   18 ILE  QG2          19 ILE  HN          5.00    (#   1226:10        Unique  2.49, 3.81 A)
 &rst
  ixpk= 1226, nxpk= 10, iat=  -1, 300, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 287, 288, 289,
 &end
#
#   80 VAL  HB           80 VAL  HN          4.50    (#   1228:10        Unique  3.77, 3.95 A)
 &rst
  ixpk= 1228, nxpk= 10, iat=1302,1298, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   95 ALA  HN           80 VAL  HN          4.50    (#   1230:10        Unique  1.98, 2.28 A)
 &rst
  ixpk= 1230, nxpk= 10, iat=1509,1298, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   97 LEU  HN           80 VAL  HN          5.00    (#   1231:10        Unique  3.49, 4.13 A)
 &rst
  ixpk= 1231, nxpk= 10, iat=1541,1298, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   79 TYR  HD           80 VAL  HN          4.00    (#   1232:10        Unique  3.22, 4.37 A)
 &rst
  ixpk= 1232, nxpk= 10, iat=  -1,1298, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1285,1294,
 &end
#
#   79 TYR  HA           80 VAL  HN          3.20    (#   1233:10        Unique  2.28, 2.46 A)
 &rst
  ixpk= 1233, nxpk= 10, iat=1279,1298, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#   80 VAL  HA           80 VAL  HN          3.50    (#   1234:10        Unique  2.90, 2.91 A)
 &rst
  ixpk= 1234, nxpk= 10, iat=1300,1298, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   95 ALA  HA           80 VAL  HN          5.50    (#   1235:10        Unique  2.63, 3.03 A)
 &rst
  ixpk= 1235, nxpk= 10, iat=1511,1298, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1236    80 VAL  HN          4.00    (#   1236:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1236, nxpk= 10, iat=  -1,1298, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1499,1521,
 &end
#
#   79 TYR  HB-          80 VAL  HN          3.50    (#   1237:10        Unique  1.86, 3.07 A)
 &rst
  ixpk= 1237, nxpk= 10, iat=  -1,1298, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1281,1282,
 &end
#
#    0 AMB  10-2:1238    80 VAL  HN          4.00    (#   1238:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1238, nxpk= 10, iat=  -1,1298, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1=1501,1502,1503,1526,1527,1545,1546,
 &end
#
#   80 VAL  MGY          80 VAL  HN          4.00    (#   1239:10        Unique  2.42, 3.61 A)
 &rst
  ixpk= 1239, nxpk= 10, iat=  -1,1298, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1304,1305,1306,1308,1309,1310,
 &end
#
#   80 VAL  MGX          80 VAL  HN          3.00    (#   1240:10        Unique  2.42, 3.61 A)
 &rst
  ixpk= 1240, nxpk= 10, iat=  -1,1298, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1304,1305,1306,1308,1309,1310,
 &end
#
#    0 AMB  10-2:1241    80 VAL  HN          5.50    (#   1241:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1241, nxpk= 10, iat=  -1,1298, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1513,1514,1515,1596,1597,1598,
 &end
#
#    0 AMB  10-2:1243     0 AMB  10-1:1243   3.00    (#   1243:10        Double  0.00, 0.00  )
 &rst
  ixpk= 1243, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1731,1732,1731,1732,
 igr2=1736,1737,1736,1737,
 &end
#
#  114 ALA  MB          110 GLN  HE2+        4.00    (#   1244:10        Unique  1.92, 3.34 A)
 &rst
  ixpk= 1244, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1789,1790,1791,
 igr2=1736,1737,
 &end
#
#  105 VAL  MGX         110 GLN  HE2+        4.20    (#   1245:10        Unique  4.68, 7.16 A)
 &rst
  ixpk= 1245, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1=1664,1665,1666,1668,1669,1670,
 igr2=1736,1737,
 &end
#
#  105 VAL  MGX         110 GLN  HE2-        5.00    (#   1247:10        Unique  4.68, 7.16 A)
 &rst
  ixpk= 1247, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1664,1665,1666,1668,1669,1670,
 igr2=1736,1737,
 &end
#
#    0 AMB  10-2:1248   110 GLN  HE2-        4.00    (#   1248:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1248, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1731,1732,1731,1732,
 igr2=1736,1737,
 &end
#
#   30 MET  HA           31 GLY  HN          4.00    (#   1252:10        Unique  3.56, 3.57 A)
 &rst
  ixpk= 1252, nxpk= 10, iat= 472, 487, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   31 GLY  HA+          31 GLY  HN          3.00    (#   1253:10        Unique  2.29, 2.55 A)
 &rst
  ixpk= 1253, nxpk= 10, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 489, 490,
 &end
#
#   28 ARG  HA           31 GLY  HN          4.00    (#   1254:10        Unique  3.61, 3.79 A)
 &rst
  ixpk= 1254, nxpk= 10, iat= 438, 487, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   31 GLY  HA-          31 GLY  HN          3.00    (#   1255:10        Unique  2.29, 2.55 A)
 &rst
  ixpk= 1255, nxpk= 10, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 489, 490,
 &end
#
#   30 MET  HB+          31 GLY  HN          3.50    (#   1256:10        Unique  2.22, 2.87 A)
 &rst
  ixpk= 1256, nxpk= 10, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 474, 475,
 &end
#
#   30 MET  HG-          31 GLY  HN          5.00    (#   1257:10        Unique  3.92, 4.36 A)
 &rst
  ixpk= 1257, nxpk= 10, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 477, 478,
 &end
#
#   32 TRP  HN           31 GLY  HN          3.50    (#   1258:10        Unique  2.81, 2.88 A)
 &rst
  ixpk= 1258, nxpk= 10, iat= 494, 487, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   30 MET  HG+          31 GLY  HN          5.00    (#   1259:10        Unique  3.92, 4.36 A)
 &rst
  ixpk= 1259, nxpk= 10, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 477, 478,
 &end
#
#    0 AMB  10-2:1260    31 GLY  HN          5.00    (#   1260:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1260, nxpk= 10, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 464, 465, 466,1267,1268,
 &end
#
#  104 ASP  HN          105 VAL  HN          3.00    (#   1268:10        Unique  2.51, 2.74 A)
 &rst
  ixpk= 1268, nxpk= 10, iat=1646,1658, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  106 ASP  HN          105 VAL  HN          5.00    (#   1269:10        Unique  4.38, 4.44 A)
 &rst
  ixpk= 1269, nxpk= 10, iat=1674,1658, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  104 ASP  HA          105 VAL  HN          3.00    (#   1271:10        Unique  2.61, 2.74 A)
 &rst
  ixpk= 1271, nxpk= 10, iat=1648,1658, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  103 ILE  HA          105 VAL  HN          4.00    (#   1272:10        Unique  3.44, 3.87 A)
 &rst
  ixpk= 1272, nxpk= 10, iat=1629,1658, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  104 ASP  HB+         105 VAL  HN          4.80    (#   1273:10        Unique  4.19, 4.40 A)
 &rst
  ixpk= 1273, nxpk= 10, iat=  -1,1658, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1650,1651,
 &end
#
#  104 ASP  HB-         105 VAL  HN          4.00    (#   1274:10        Unique  4.19, 4.40 A)
 &rst
  ixpk= 1274, nxpk= 10, iat=  -1,1658, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1650,1651,
 &end
#
#    0 AMB  10-2:1275   105 VAL  HN          4.00    (#   1275:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1275, nxpk= 10, iat=  -1,1658, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1662,1728,1729,
 &end
#
#  102 ALA  MB          105 VAL  HN          4.00    (#   1276:10        Unique  3.93, 5.08 A)
 &rst
  ixpk= 1276, nxpk= 10, iat=  -1,1658, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1621,1622,1623,
 &end
#
#  103 ILE  QG2         105 VAL  HN          5.00    (#   1277:10        Unique  4.63, 5.76 A)
 &rst
  ixpk= 1277, nxpk= 10, iat=  -1,1658, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1633,1634,1635,
 &end
#
#  105 VAL  MGX         105 VAL  HN          3.00    (#   1278:10        Unique  2.34, 3.31 A)
 &rst
  ixpk= 1278, nxpk= 10, iat=  -1,1658, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1664,1665,1666,1668,1669,1670,
 &end
#
#   87 GLY  HA-          87 GLY  HN          3.20    (#   1285:10        Unique  2.32, 2.62 A)
 &rst
  ixpk= 1285, nxpk= 10, iat=  -1,1393, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr1=1395,1396,
 &end
#
#   86 GLY  HA+          87 GLY  HN          4.00    (#   1286:10        Unique  2.93, 3.24 A)
 &rst
  ixpk= 1286, nxpk= 10, iat=  -1,1393, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1388,1389,
 &end
#
#   87 GLY  HA+          87 GLY  HN          3.50    (#   1287:10        Unique  2.32, 2.62 A)
 &rst
  ixpk= 1287, nxpk= 10, iat=  -1,1393, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1395,1396,
 &end
#
#  116 TRP  HE1          98 SER  HN          4.00    (#   1288:10        Unique  3.15, 3.98 A)
 &rst
  ixpk= 1288, nxpk= 10, iat=1817,1560, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   97 LEU  HN           98 SER  HN          3.50    (#   1289:10        Unique  2.78, 2.87 A)
 &rst
  ixpk= 1289, nxpk= 10, iat=1541,1560, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   99 ASP  HN           98 SER  HN          3.00    (#   1290:10        Unique  2.34, 2.49 A)
 &rst
  ixpk= 1290, nxpk= 10, iat=1571,1560, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   98 SER  HA           98 SER  HN          3.50    (#   1292:10        Unique  2.81, 2.85 A)
 &rst
  ixpk= 1292, nxpk= 10, iat=1562,1560, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   98 SER  HB-          98 SER  HN          3.50    (#   1293:10        Unique  2.09, 2.96 A)
 &rst
  ixpk= 1293, nxpk= 10, iat=  -1,1560, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1564,1565,
 &end
#
#   96 LYS  HB+          98 SER  HN          4.00    (#   1294:10        Unique  4.11, 4.57 A)
 &rst
  ixpk= 1294, nxpk= 10, iat=  -1,1560, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1523,1524,
 &end
#
#    0 AMB  10-2:1295    98 SER  HN          4.00    (#   1295:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1295, nxpk= 10, iat=  -1,1560, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1=1523,1524,1529,1530,1548,
 &end
#
#   97 LEU  HB+          98 SER  HN          4.00    (#   1296:10        Unique  2.74, 3.31 A)
 &rst
  ixpk= 1296, nxpk= 10, iat=  -1,1560, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1545,1546,
 &end
#
#    0 AMB  10-2:1297    98 SER  HN          4.00    (#   1297:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1297, nxpk= 10, iat=  -1,1560, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1545,1546,1550,1551,1552,1554,1555,1556,
 &end
#
#    0 AMB  10-2:1298    98 SER  HN          5.00    (#   1298:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1298, nxpk= 10, iat=  -1,1560, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1840,1841,1842,1844,1845,1846,1304,1305,1306,1308,
      1309,1310,
 &end
#
#    0 AMB  10-2:1299    98 SER  HN          5.00    (#   1299:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1299, nxpk= 10, iat=  -1,1560, r1= 1.30, r2= 1.80, r3= 7.46, r4= 7.96,
 igr1=1550,1551,1552,1554,1555,1556,1589,1590,1591,1264,
      1265,
 &end
#
#    0 AMB  10-2:1300    98 SER  HN          4.00    (#   1300:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1300, nxpk= 10, iat=  -1,1560, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
      1909,1910,1304,1305,1306,1308,1309,1310,
 &end
#
#   98 SER  HB+          98 SER  HN          3.50    (#   1301:10        Unique  2.09, 2.96 A)
 &rst
  ixpk= 1301, nxpk= 10, iat=  -1,1560, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1564,1565,
 &end
#
#   96 LYS  HA           98 SER  HN          4.00    (#   1302:10        Unique  3.79, 4.05 A)
 &rst
  ixpk= 1302, nxpk= 10, iat=1521,1560, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:1307    46 GLY  HN          4.50    (#   1307:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1307, nxpk= 10, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1074, 772,
 &end
#
#   45 MET  HN           46 GLY  HN          5.00    (#   1308:10        Unique  4.55, 4.60 A)
 &rst
  ixpk= 1308, nxpk= 10, iat= 726, 743, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   45 MET  HA           46 GLY  HN          3.00    (#   1310:10        Unique  2.18, 2.24 A)
 &rst
  ixpk= 1310, nxpk= 10, iat= 728, 743, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   46 GLY  HA-          46 GLY  HN          3.50    (#   1311:10        Unique  2.58, 2.77 A)
 &rst
  ixpk= 1311, nxpk= 10, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 745, 746,
 &end
#
#   46 GLY  HA+          46 GLY  HN          3.50    (#   1313:10        Unique  2.58, 2.77 A)
 &rst
  ixpk= 1313, nxpk= 10, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 745, 746,
 &end
#
#   45 MET  HG+          46 GLY  HN          5.00    (#   1314:10        Unique  3.18, 4.09 A)
 &rst
  ixpk= 1314, nxpk= 10, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 733, 734,
 &end
#
#   45 MET  HG-          46 GLY  HN          4.50    (#   1315:10        Unique  3.18, 4.09 A)
 &rst
  ixpk= 1315, nxpk= 10, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 733, 734,
 &end
#
#   45 MET  HB-          46 GLY  HN          5.00    (#   1316:10        Unique  2.96, 3.72 A)
 &rst
  ixpk= 1316, nxpk= 10, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 730, 731,
 &end
#
#    0 AMB  10-2:1317    46 GLY  HN          3.50    (#   1317:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1317, nxpk= 10, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 737, 738, 739, 730, 731,
 &end
#
#    0 AMB  10-2:1318    46 GLY  HN          5.00    (#   1318:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1318, nxpk= 10, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=1035,1036,1037,1377,1378,
 &end
#
#  100 ILE  QG2          46 GLY  HN          6.00    (#   1319:10        Unique  4.90, 5.94 A)
 &rst
  ixpk= 1319, nxpk= 10, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1589,1590,1591,
 &end
#
#    0 AMB  10-2:1320    46 GLY  HN          4.00    (#   1320:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1320, nxpk= 10, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1080,1081,1082,1084,1085,1086,1335,1336,1337,1339,
      1340,1341,
 &end
#
#  103 ILE  QD1          46 GLY  HN          4.00    (#   1321:10        Unique  3.53, 5.38 A)
 &rst
  ixpk= 1321, nxpk= 10, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1640,1641,1642,
 &end
#
#  122 ARG  HN          123 GLY  HN          3.50    (#   1325:10        Unique  2.66, 2.82 A)
 &rst
  ixpk= 1325, nxpk= 10, iat=1924,1948, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  121 ALA  HA          123 GLY  HN          4.00    (#   1326:10        Unique  3.49, 3.80 A)
 &rst
  ixpk= 1326, nxpk= 10, iat=1916,1948, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:1327   123 GLY  HN          4.00    (#   1327:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1327, nxpk= 10, iat=  -1,1948, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1928,1929,1904,1905,1906,1908,1909,1910,
 &end
#
#  124 TYR  HN          123 GLY  HN          3.00    (#   1328:10        Unique  1.67, 2.92 A)
 &rst
  ixpk= 1328, nxpk= 10, iat=1955,1948, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  123 GLY  HA+         123 GLY  HN          3.00    (#   1329:10        Unique  2.29, 2.62 A)
 &rst
  ixpk= 1329, nxpk= 10, iat=  -1,1948, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1950,1951,
 &end
#
#  122 ARG  HA          123 GLY  HN          3.80    (#   1330:10        Unique  2.80, 3.19 A)
 &rst
  ixpk= 1330, nxpk= 10, iat=1926,1948, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  123 GLY  HA-         123 GLY  HN          3.00    (#   1331:10        Unique  2.29, 2.62 A)
 &rst
  ixpk= 1331, nxpk= 10, iat=  -1,1948, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1950,1951,
 &end
#
#   16 THR  HA           16 THR  HN          4.00    (#   1336:10        Unique  2.91, 2.93 A)
 &rst
  ixpk= 1336, nxpk= 10, iat= 254, 252, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   18 ILE  HN           16 THR  HN          6.00    (#   1337:10        Unique  4.21, 4.30 A)
 &rst
  ixpk= 1337, nxpk= 10, iat= 281, 252, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:1339    16 THR  HN          4.00    (#   1339:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1339, nxpk= 10, iat=  -1, 252, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 239, 256,
 &end
#
#   15 GLU  HB+          16 THR  HN          4.00    (#   1340:10        Unique  2.53, 3.36 A)
 &rst
  ixpk= 1340, nxpk= 10, iat=  -1, 252, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 241, 242,
 &end
#
#   15 GLU  HB-          16 THR  HN          3.00    (#   1341:10        Unique  2.53, 3.36 A)
 &rst
  ixpk= 1341, nxpk= 10, iat=  -1, 252, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 241, 242,
 &end
#
#   16 THR  MG2          16 THR  HN          3.00    (#   1342:10        Unique  2.06, 3.08 A)
 &rst
  ixpk= 1342, nxpk= 10, iat=  -1, 252, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 258, 259, 260,
 &end
#
#    0 AMB  10-2:1343    16 THR  HN          5.00    (#   1343:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1343, nxpk= 10, iat=  -1, 252, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 325, 326, 327, 329, 330, 331, 325, 326, 327, 329,
       330, 331,
 &end
#
#   17 GLU  HN           16 THR  HN          4.50    (#   1344:10        Unique  2.68, 2.80 A)
 &rst
  ixpk= 1344, nxpk= 10, iat= 266, 252, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   66 LEU  HN           67 GLY  HN          3.00    (#   1348:10        Unique  2.00, 2.24 A)
 &rst
  ixpk= 1348, nxpk= 10, iat=1090,1109, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   81 GLU  HN           67 GLY  HN          4.00    (#   1349:10        Unique  3.18, 3.65 A)
 &rst
  ixpk= 1349, nxpk= 10, iat=1314,1109, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   68 MET  HN           67 GLY  HN          4.20    (#   1350:10        Unique  1.83, 3.33 A)
 &rst
  ixpk= 1350, nxpk= 10, iat=1116,1109, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   65 VAL  HA           67 GLY  HN          4.00    (#   1351:10        Unique  3.37, 3.59 A)
 &rst
  ixpk= 1351, nxpk= 10, iat=1076,1109, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   67 GLY  HA+          67 GLY  HN          3.00    (#   1352:10        Unique  2.49, 2.76 A)
 &rst
  ixpk= 1352, nxpk= 10, iat=  -1,1109, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1111,1112,
 &end
#
#   80 VAL  HB           67 GLY  HN          4.00    (#   1353:10        Unique  2.27, 3.08 A)
 &rst
  ixpk= 1353, nxpk= 10, iat=1302,1109, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   81 GLU  HB+          67 GLY  HN          4.00    (#   1354:10        Unique  3.74, 4.91 A)
 &rst
  ixpk= 1354, nxpk= 10, iat=  -1,1109, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1318,1319,
 &end
#
#   66 LEU  HB+          67 GLY  HN          3.50    (#   1355:10        Unique  3.17, 3.71 A)
 &rst
  ixpk= 1355, nxpk= 10, iat=  -1,1109, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1094,1095,
 &end
#
#   67 GLY  HA-          67 GLY  HN          3.00    (#   1356:10        Unique  2.49, 2.76 A)
 &rst
  ixpk= 1356, nxpk= 10, iat=  -1,1109, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1111,1112,
 &end
#
#   80 VAL  MGY          67 GLY  HN          5.00    (#   1357:10        Unique  3.36, 4.96 A)
 &rst
  ixpk= 1357, nxpk= 10, iat=  -1,1109, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1304,1305,1306,1308,1309,1310,
 &end
#
#    0 AMB  10-2:1358    67 GLY  HN          4.00    (#   1358:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1358, nxpk= 10, iat=  -1,1109, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
 igr1=1097,1099,1100,1101,1103,1104,1105,1099,1100,1101,
      1103,1104,1105,
 &end
#
#   65 VAL  MGY          67 GLY  HN          3.00    (#   1359:10        Unique  1.83, 3.80 A)
 &rst
  ixpk= 1359, nxpk= 10, iat=  -1,1109, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1080,1081,1082,1084,1085,1086,
 &end
#
#   66 LEU  HA           67 GLY  HN          4.00    (#   1360:10        Unique  3.19, 3.34 A)
 &rst
  ixpk= 1360, nxpk= 10, iat=1092,1109, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   65 VAL  MGX          67 GLY  HN          5.00    (#   1362:10        Unique  1.83, 3.80 A)
 &rst
  ixpk= 1362, nxpk= 10, iat=  -1,1109, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1080,1081,1082,1084,1085,1086,
 &end
#
#   98 SER  HN           97 LEU  HN          3.50    (#   1363:10        Unique  2.78, 2.87 A)
 &rst
  ixpk= 1363, nxpk= 10, iat=1560,1541, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    2 ALA  MB            3 SER  HN          4.00    (#   1364:10        Unique  1.96, 3.16 A)
 &rst
  ixpk= 1364, nxpk= 10, iat=  -1,  31, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=  25,  26,  27,
 &end
#
#    0 AMB  10-2:1365     3 SER  HN          4.00    (#   1365:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1365, nxpk= 10, iat=  -1,  31, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=  35,  36,  35,  36,
 &end
#
#    3 SER  HN            4 VAL  HN          3.00    (#   1366:10        Unique  2.29, 2.59 A)
 &rst
  ixpk= 1366, nxpk= 10, iat=  31,  42, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    3 SER  HA            4 VAL  HN          3.00    (#   1367:10        Unique  2.50, 2.60 A)
 &rst
  ixpk= 1367, nxpk= 10, iat=  33,  42, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    4 VAL  MGX           4 VAL  HN          3.00    (#   1368:10        Unique  1.94, 3.75 A)
 &rst
  ixpk= 1368, nxpk= 10, iat=  -1,  42, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=  48,  49,  50,  52,  53,  54,
 &end
#
#   73 GLU  HN           71 ASP  HN          5.00    (#   1369:10        Unique  4.20, 4.55 A)
 &rst
  ixpk= 1369, nxpk= 10, iat=1181,1157, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   33 TYR  HE           71 ASP  HN          4.00    (#   1370:10        Unique  2.72, 6.68 A)
 &rst
  ixpk= 1370, nxpk= 10, iat=  -1,1157, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 528, 533,
 &end
#
#    6 ARG  HB-           6 ARG  HN          3.00    (#   1371:10        Unique  2.38, 3.35 A)
 &rst
  ixpk= 1371, nxpk= 10, iat=  -1,  73, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=  77,  78,
 &end
#
#   11 GLU  HG+           7 ASP  HN          7.00    (#   1374:10        Unique  5.60, 7.39 A)
 &rst
  ixpk= 1374, nxpk= 10, iat=  -1,  97, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 169, 170,
 &end
#
#    6 ARG  HN            7 ASP  HN          3.00    (#   1376:10        Unique  1.77, 1.93 A)
 &rst
  ixpk= 1376, nxpk= 10, iat=  73,  97, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   94 THR  HN           93 TYR  HN          6.00    (#   1377:10        Unique  4.44, 4.47 A)
 &rst
  ixpk= 1377, nxpk= 10, iat=1495,1474, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   92 VAL  HN           93 TYR  HN          6.00    (#   1378:10        Unique  4.27, 4.32 A)
 &rst
  ixpk= 1378, nxpk= 10, iat=1458,1474, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    8 GLU  HN            9 THR  HN          3.50    (#   1379:10        Unique  1.82, 2.55 A)
 &rst
  ixpk= 1379, nxpk= 10, iat= 109, 124, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:1380    10 ARG  HN          5.00    (#   1380:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1380, nxpk= 10, iat=  -1, 138, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 148, 149, 181, 182,
 &end
#
#    0 AMB  10-2:1381    10 ARG  HN          5.00    (#   1381:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1381, nxpk= 10, iat=  -1, 138, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 166, 167, 113, 114,
 &end
#
#   14 ILE  QD1          11 GLU  HN          4.00    (#   1382:10        Unique  4.41, 6.32 A)
 &rst
  ixpk= 1382, nxpk= 10, iat=  -1, 162, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 231, 232, 233,
 &end
#
#   10 ARG  HD-          11 GLU  HN          5.30    (#   1384:10        Unique  1.98, 4.31 A)
 &rst
  ixpk= 1384, nxpk= 10, iat=  -1, 162, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
 igr1= 148, 149,
 &end
#
#    0 AMB  10-2:1386    13 ARG  HN          6.00    (#   1386:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1386, nxpk= 10, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 273, 274, 222,
 &end
#
#   18 ILE  QD1          15 GLU  HN          7.00    (#   1388:10        Unique  5.48, 6.63 A)
 &rst
  ixpk= 1388, nxpk= 10, iat=  -1, 237, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 294, 295, 296,
 &end
#
#   16 THR  HN           18 ILE  HN          6.00    (#   1389:10        Unique  4.21, 4.30 A)
 &rst
  ixpk= 1389, nxpk= 10, iat= 252, 281, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   18 ILE  QD1          19 ILE  HN          7.00    (#   1390:10        Unique  4.32, 5.46 A)
 &rst
  ixpk= 1390, nxpk= 10, iat=  -1, 300, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 294, 295, 296,
 &end
#
#    0 AMB  10-2:1391    19 ILE  HN          4.50    (#   1391:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1391, nxpk= 10, iat=  -1, 300, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 239, 496,
 &end
#
#   19 ILE  QD1          20 VAL  HN          5.00    (#   1392:10        Unique  1.94, 4.10 A)
 &rst
  ixpk= 1392, nxpk= 10, iat=  -1, 319, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 313, 314, 315,
 &end
#
#   99 ASP  HA           48 TRP  HE1         5.50    (#   1394:10        Unique  5.05, 5.13 A)
 &rst
  ixpk= 1394, nxpk= 10, iat=1573, 782, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   48 TRP  HA           48 TRP  HE1         5.00    (#   1395:10        Unique  4.74, 4.79 A)
 &rst
  ixpk= 1395, nxpk= 10, iat= 774, 782, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:1396    48 TRP  HE1         6.00    (#   1396:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1396, nxpk= 10, iat=  -1, 782, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 796,1007,
 &end
#
#    0 AMB  10-2:1397    97 LEU  HN          6.00    (#   1397:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1397, nxpk= 10, iat=  -1,1541, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1285,1294, 791,
 &end
#
#    0 AMB  10-2:1398    74 CYS  HN          5.00    (#   1398:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1398, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1216,1217,1218,1220,1221,1222, 464, 465, 466,
 &end
#
#    6 ARG  HB-           7 ASP  HN          4.00    (#   1399:10        Unique  3.49, 3.94 A)
 &rst
  ixpk= 1399, nxpk= 10, iat=  -1,  97, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=  77,  78,
 &end
#
#    0 AMB  10-2:1400     8 GLU  HN          5.00    (#   1400:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1400, nxpk= 10, iat=  -1, 109, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=  65,  66,  65,  66, 101, 102,
 &end
#
#    8 GLU  HA            8 GLU  HN          3.00    (#   1401:10        Unique  2.28, 2.41 A)
 &rst
  ixpk= 1401, nxpk= 10, iat= 111, 109, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    7 ASP  HA            8 GLU  HN          3.50    (#   1402:10        Unique  2.44, 2.81 A)
 &rst
  ixpk= 1402, nxpk= 10, iat=  99, 109, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   11 GLU  HA           11 GLU  HN          3.50    (#   1404:10        Unique  2.65, 2.67 A)
 &rst
  ixpk= 1404, nxpk= 10, iat= 164, 162, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:1406    13 ARG  HN          5.00    (#   1406:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1406, nxpk= 10, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 258, 259, 260, 142, 143,
 &end
#
#   14 ILE  HG1-         14 ILE  HN          4.00    (#   1407:10        Unique  2.61, 3.78 A)
 &rst
  ixpk= 1407, nxpk= 10, iat=  -1, 218, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 228, 229,
 &end
#
#   15 GLU  HB+          15 GLU  HN          3.00    (#   1408:10        Unique  2.13, 2.63 A)
 &rst
  ixpk= 1408, nxpk= 10, iat=  -1, 237, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 241, 242,
 &end
#
#   18 ILE  QD1          17 GLU  HN          6.50    (#   1409:10        Unique  5.56, 6.27 A)
 &rst
  ixpk= 1409, nxpk= 10, iat=  -1, 266, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1= 294, 295, 296,
 &end
#
#   18 ILE  QG2          17 GLU  HN          6.50    (#   1410:10        Unique  5.73, 6.22 A)
 &rst
  ixpk= 1410, nxpk= 10, iat=  -1, 266, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1= 287, 288, 289,
 &end
#
#   18 ILE  HG1+         17 GLU  HN          6.50    (#   1411:10        Unique  3.56, 4.84 A)
 &rst
  ixpk= 1411, nxpk= 10, iat=  -1, 266, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr1= 291, 292,
 &end
#
#   17 GLU  HG+          17 GLU  HN          6.00    (#   1413:10        Unique  2.90, 3.52 A)
 &rst
  ixpk= 1413, nxpk= 10, iat=  -1, 266, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 273, 274,
 &end
#
#   18 ILE  HA           17 GLU  HN          6.00    (#   1414:10        Unique  4.44, 4.50 A)
 &rst
  ixpk= 1414, nxpk= 10, iat= 283, 266, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   14 ILE  HA           17 GLU  HN          5.50    (#   1415:10        Unique  3.74, 3.87 A)
 &rst
  ixpk= 1415, nxpk= 10, iat= 220, 266, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   19 ILE  QD1          18 ILE  HN          6.00    (#   1416:10        Unique  3.20, 4.70 A)
 &rst
  ixpk= 1416, nxpk= 10, iat=  -1, 281, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 313, 314, 315,
 &end
#
#   19 ILE  HG1-         18 ILE  HN          6.00    (#   1417:10        Unique  3.37, 4.49 A)
 &rst
  ixpk= 1417, nxpk= 10, iat=  -1, 281, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 310, 311,
 &end
#
#   18 ILE  HG1+         19 ILE  HN          6.00    (#   1418:10        Unique  4.01, 4.56 A)
 &rst
  ixpk= 1418, nxpk= 10, iat=  -1, 300, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 291, 292,
 &end
#
#   20 VAL  HB           19 ILE  HN          5.00    (#   1420:10        Unique  4.85, 5.26 A)
 &rst
  ixpk= 1420, nxpk= 10, iat= 323, 300, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   15 GLU  HB-          19 ILE  HN          7.00    (#   1421:10        Unique  5.73, 6.11 A)
 &rst
  ixpk= 1421, nxpk= 10, iat=  -1, 300, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 241, 242,
 &end
#
#    0 AMB  10-2:1422    20 VAL  HN          7.00    (#   1422:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1422, nxpk= 10, iat=  -1, 319, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 241, 242, 270, 271,
 &end
#
#   18 ILE  HA           19 ILE  HN          5.00    (#   1423:10        Unique  3.42, 3.53 A)
 &rst
  ixpk= 1423, nxpk= 10, iat= 283, 300, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   14 ILE  HA           19 ILE  HN          4.20    (#   1424:10        Unique  4.61, 5.20 A)
 &rst
  ixpk= 1424, nxpk= 10, iat= 220, 300, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#    0 AMB  10-2:1425    19 ILE  HN          5.00    (#   1425:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1425, nxpk= 10, iat=  -1, 300, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 321, 489, 490,
 &end
#
#   17 GLU  HN           19 ILE  HN          5.00    (#   1426:10        Unique  2.54, 3.41 A)
 &rst
  ixpk= 1426, nxpk= 10, iat= 266, 300, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 GLU  HN           20 VAL  HN          5.00    (#   1427:10        Unique  2.67, 3.19 A)
 &rst
  ixpk= 1427, nxpk= 10, iat= 266, 319, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:1428    20 VAL  HN          5.00    (#   1428:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1428, nxpk= 10, iat=  -1, 319, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 252, 347,
 &end
#
#   18 ILE  HN           20 VAL  HN          5.00    (#   1429:10        Unique  2.98, 3.30 A)
 &rst
  ixpk= 1429, nxpk= 10, iat= 281, 319, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:1430    20 VAL  HN          6.00    (#   1430:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1430, nxpk= 10, iat=  -1, 319, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 268, 337,
 &end
#
#   15 GLU  HA           20 VAL  HN          4.50    (#   1431:10        Unique  3.67, 3.98 A)
 &rst
  ixpk= 1431, nxpk= 10, iat= 239, 319, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   19 ILE  HG1-         20 VAL  HN          3.50    (#   1432:10        Unique  1.73, 3.06 A)
 &rst
  ixpk= 1432, nxpk= 10, iat=  -1, 319, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 310, 311,
 &end
#
#   20 VAL  HN           22 ALA  HN          5.00    (#   1434:10        Unique  4.58, 4.72 A)
 &rst
  ixpk= 1434, nxpk= 10, iat= 319, 347, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   27 GLU  HG-          23 GLU  HN          4.00    (#   1435:10        Unique  3.44, 4.07 A)
 &rst
  ixpk= 1435, nxpk= 10, iat=  -1, 357, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 428, 429,
 &end
#
#   23 GLU  HN           24 ASP  HN          2.80    (#   1436:10        Unique  1.81, 1.85 A)
 &rst
  ixpk= 1436, nxpk= 10, iat= 357, 372, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   25 LYS  HB+          26 GLU  HN          4.00    (#   1437:10        Unique  3.61, 3.93 A)
 &rst
  ixpk= 1437, nxpk= 10, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 388, 389,
 &end
#
#   26 GLU  HB+          26 GLU  HN          3.00    (#   1438:10        Unique  2.32, 3.02 A)
 &rst
  ixpk= 1438, nxpk= 10, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 410, 411,
 &end
#
#    0 AMB  10-2:1439    27 GLU  HN          3.00    (#   1439:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1439, nxpk= 10, iat=  -1, 421, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 410, 411, 425, 426,
 &end
#
#   27 GLU  HN           28 ARG  HN          3.00    (#   1440:10        Unique  2.81, 2.87 A)
 &rst
  ixpk= 1440, nxpk= 10, iat= 421, 436, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   27 GLU  HB+          28 ARG  HN          3.00    (#   1442:10        Unique  2.56, 3.27 A)
 &rst
  ixpk= 1442, nxpk= 10, iat=  -1, 436, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 425, 426,
 &end
#
#    0 AMB  10-2:1443    28 ARG  HN          4.00    (#   1443:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1443, nxpk= 10, iat=  -1, 436, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 423, 408,
 &end
#
#   23 GLU  HN           27 GLU  HN          5.00    (#   1445:10        Unique  5.18, 5.30 A)
 &rst
  ixpk= 1445, nxpk= 10, iat= 357, 421, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   23 GLU  HN           28 ARG  HN          4.00    (#   1447:10        Unique  4.48, 4.73 A)
 &rst
  ixpk= 1447, nxpk= 10, iat= 357, 436, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   24 ASP  HN           28 ARG  HN          4.00    (#   1448:10        Unique  3.27, 3.60 A)
 &rst
  ixpk= 1448, nxpk= 10, iat= 372, 436, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  126 PHE  HE           28 ARG  HN          6.30    (#   1449:10        Unique  3.92, 8.20 A)
 &rst
  ixpk= 1449, nxpk= 10, iat=  -1, 436, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=2008,2012,
 &end
#
#  126 PHE  HE           29 ALA  HN          6.20    (#   1450:10        Unique  3.02, 8.80 A)
 &rst
  ixpk= 1450, nxpk= 10, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
 igr1=2008,2012,
 &end
#
#   75 LEU  MDX          29 ALA  HN          5.00    (#   1451:10        Unique  4.84, 7.26 A)
 &rst
  ixpk= 1451, nxpk= 10, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1216,1217,1218,1220,1221,1222,
 &end
#
#   22 ALA  MB           29 ALA  HN          5.00    (#   1452:10        Unique  4.96, 5.87 A)
 &rst
  ixpk= 1452, nxpk= 10, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 351, 352, 353,
 &end
#
#   28 ARG  HN           30 MET  HN          4.50    (#   1453:10        Unique  3.92, 3.98 A)
 &rst
  ixpk= 1453, nxpk= 10, iat= 436, 470, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   32 TRP  HB+          31 GLY  HN          5.00    (#   1454:10        Unique  4.62, 5.44 A)
 &rst
  ixpk= 1454, nxpk= 10, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 498, 499,
 &end
#
#    0 AMB  10-2:1455    31 GLY  HN          5.50    (#   1455:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1455, nxpk= 10, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 498, 499, 543, 544,
 &end
#
#    0 AMB  10-2:1456    30 MET  HN          5.00    (#   1456:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1456, nxpk= 10, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 522, 523, 498, 499,
 &end
#
#    0 AMB  10-2:1457    30 MET  HN          6.50    (#   1457:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1457, nxpk= 10, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
 igr1= 498, 499, 543, 544, 376, 377,
 &end
#
#   31 GLY  HA-          30 MET  HN          5.00    (#   1458:10        Unique  5.00, 5.24 A)
 &rst
  ixpk= 1458, nxpk= 10, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 489, 490,
 &end
#
#   28 ARG  HA           30 MET  HN          5.00    (#   1459:10        Unique  4.09, 4.26 A)
 &rst
  ixpk= 1459, nxpk= 10, iat= 438, 470, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   18 ILE  QG2          31 GLY  HN          7.00    (#   1460:10        Unique  5.26, 6.31 A)
 &rst
  ixpk= 1460, nxpk= 10, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 287, 288, 289,
 &end
#
#   19 ILE  QG2          31 GLY  HN          4.00    (#   1461:10        Unique  2.62, 3.75 A)
 &rst
  ixpk= 1461, nxpk= 10, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 306, 307, 308,
 &end
#
#   22 ALA  MB           31 GLY  HN          4.50    (#   1462:10        Unique  3.05, 3.58 A)
 &rst
  ixpk= 1462, nxpk= 10, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 351, 352, 353,
 &end
#
#   30 MET  ME           31 GLY  HN          5.00    (#   1463:10        Unique  4.57, 5.63 A)
 &rst
  ixpk= 1463, nxpk= 10, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 481, 482, 483,
 &end
#
#    0 AMB  10-2:1464    32 TRP  HN          5.00    (#   1464:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1464, nxpk= 10, iat=  -1, 494, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 351, 352, 353,1264,1265,
 &end
#
#   30 MET  HB-          31 GLY  HN          3.50    (#   1465:10        Unique  2.22, 2.87 A)
 &rst
  ixpk= 1465, nxpk= 10, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 474, 475,
 &end
#
#    0 AMB  10-2:1466    31 GLY  HN          5.00    (#   1466:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1466, nxpk= 10, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 462, 522, 523,
 &end
#
#   28 ARG  HA           32 TRP  HN          5.00    (#   1467:10        Unique  4.02, 4.20 A)
 &rst
  ixpk= 1467, nxpk= 10, iat= 438, 494, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   29 ALA  HN           31 GLY  HN          5.00    (#   1468:10        Unique  4.48, 4.63 A)
 &rst
  ixpk= 1468, nxpk= 10, iat= 460, 487, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   32 TRP  HD1          31 GLY  HN          5.50    (#   1469:10        Unique  4.18, 4.81 A)
 &rst
  ixpk= 1469, nxpk= 10, iat= 502, 487, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1470    32 TRP  HN          5.00    (#   1470:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1470, nxpk= 10, iat=  -1, 494, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 460, 507,
 &end
#
#   33 TYR  HN           31 GLY  HN          5.00    (#   1471:10        Unique  4.18, 4.46 A)
 &rst
  ixpk= 1471, nxpk= 10, iat= 518, 487, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   34 TYR  HN           31 GLY  HN          5.50    (#   1472:10        Unique  4.70, 4.85 A)
 &rst
  ixpk= 1472, nxpk= 10, iat= 539, 487, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   33 TYR  HN           32 TRP  HN          3.50    (#   1473:10        Unique  2.85, 2.99 A)
 &rst
  ixpk= 1473, nxpk= 10, iat= 518, 494, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   34 TYR  HN           32 TRP  HN          5.00    (#   1474:10        Unique  4.42, 4.55 A)
 &rst
  ixpk= 1474, nxpk= 10, iat= 539, 494, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   31 GLY  HN           33 TYR  HN          5.00    (#   1475:10        Unique  4.18, 4.46 A)
 &rst
  ixpk= 1475, nxpk= 10, iat= 487, 518, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   35 TYR  HN           32 TRP  HN          5.50    (#   1476:10        Unique  4.88, 5.01 A)
 &rst
  ixpk= 1476, nxpk= 10, iat= 560, 494, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 TYR  HN           33 TYR  HN          5.00    (#   1477:10        Unique  4.33, 4.53 A)
 &rst
  ixpk= 1477, nxpk= 10, iat= 560, 518, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   34 TYR  HD           33 TYR  HN          5.00    (#   1478:10        Unique  4.41, 6.17 A)
 &rst
  ixpk= 1478, nxpk= 10, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 547, 556,
 &end
#
#    0 AMB  10-2:1479    33 TYR  HN          6.00    (#   1479:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1479, nxpk= 10, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 549, 554, 528, 533,
 &end
#
#   32 TRP  HD1          33 TYR  HN          5.00    (#   1480:10        Unique  4.64, 4.93 A)
 &rst
  ixpk= 1480, nxpk= 10, iat= 502, 518, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   30 MET  HA           32 TRP  HN          5.00    (#   1481:10        Unique  4.78, 5.05 A)
 &rst
  ixpk= 1481, nxpk= 10, iat= 472, 494, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:1482    32 TRP  HN          7.00    (#   1482:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1482, nxpk= 10, iat=  -1, 494, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 585, 586, 477, 478,
 &end
#
#    0 AMB  10-2:1483    33 TYR  HN          6.00    (#   1483:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1483, nxpk= 10, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 585, 586, 477, 478,
 &end
#
#   30 MET  ME           32 TRP  HN          6.00    (#   1484:10        Unique  5.74, 6.99 A)
 &rst
  ixpk= 1484, nxpk= 10, iat=  -1, 494, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 481, 482, 483,
 &end
#
#    0 AMB  10-2:1485    32 TRP  HN          6.00    (#   1485:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1485, nxpk= 10, iat=  -1, 494, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 310, 311,1267,1268,
 &end
#
#    0 AMB  10-2:1486    33 TYR  HN          5.00    (#   1486:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1486, nxpk= 10, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=1267,1268, 464, 465, 466,
 &end
#
#   36 LEU  MDX          33 TYR  HN          5.00    (#   1487:10        Unique  4.72, 6.18 A)
 &rst
  ixpk= 1487, nxpk= 10, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 590, 591, 592, 594, 595, 596,
 &end
#
#   36 LEU  MDX          32 TRP  HN          5.50    (#   1488:10        Unique  6.10, 8.13 A)
 &rst
  ixpk= 1488, nxpk= 10, iat=  -1, 494, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 590, 591, 592, 594, 595, 596,
 &end
#
#   18 ILE  QG2          33 TYR  HN          7.00    (#   1489:10        Unique  5.12, 5.67 A)
 &rst
  ixpk= 1489, nxpk= 10, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 287, 288, 289,
 &end
#
#   68 MET  ME           33 TYR  HN          5.00    (#   1491:10        Unique  4.66, 5.65 A)
 &rst
  ixpk= 1491, nxpk= 10, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1127,1128,1129,
 &end
#
#    0 AMB  10-2:1493    34 TYR  HN          5.00    (#   1493:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1493, nxpk= 10, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 474, 475,1123,1124,
 &end
#
#   32 TRP  HB+          33 TYR  HN          3.00    (#   1494:10        Unique  2.24, 2.77 A)
 &rst
  ixpk= 1494, nxpk= 10, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 498, 499,
 &end
#
#   31 GLY  HA-          33 TYR  HN          5.00    (#   1495:10        Unique  4.44, 4.85 A)
 &rst
  ixpk= 1495, nxpk= 10, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 489, 490,
 &end
#
#   31 GLY  HN           34 TYR  HN          6.00    (#   1496:10        Unique  4.70, 4.85 A)
 &rst
  ixpk= 1496, nxpk= 10, iat= 487, 539, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   35 TYR  HN           34 TYR  HN          3.50    (#   1497:10        Unique  2.99, 3.06 A)
 &rst
  ixpk= 1497, nxpk= 10, iat= 560, 539, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:1498     0 AMB  10-1:1498   5.00    (#   1498:10        Double  0.00, 0.00  )
 &rst
  ixpk= 1498, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 494,1884,
 igr2= 539,1260,
 &end
#
#    0 AMB  10-2:1499     0 AMB  10-1:1499   5.20    (#   1499:10        Double  0.00, 0.00  )
 &rst
  ixpk= 1499, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
 igr1=1965,1970, 570, 575,
 igr2=1260, 539,
 &end
#
#   35 TYR  HE           35 TYR  HN          6.20    (#   1500:10        Unique  4.08, 5.25 A)
 &rst
  ixpk= 1500, nxpk= 10, iat=  -1, 560, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
 igr1= 570, 575,
 &end
#
#    0 AMB  10-2:1501     0 AMB  10-1:1501   5.80    (#   1501:10        Double  0.00, 0.00  )
 &rst
  ixpk= 1501, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.78, r4= 9.28,
 igr1= 585, 586,1161,1162,1123,1124,
 igr2= 539,1260,
 &end
#
#   36 LEU  HB-          35 TYR  HN          6.00    (#   1502:10        Unique  4.29, 4.81 A)
 &rst
  ixpk= 1502, nxpk= 10, iat=  -1, 560, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 585, 586,
 &end
#
#    0 AMB  10-2:1503     0 AMB  10-1:1503   5.00    (#   1503:10        Double  0.00, 0.00  )
 &rst
  ixpk= 1503, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1= 604, 605,1120,1121, 588,
 igr2= 539,1260,
 &end
#
#   18 ILE  QG2          36 LEU  HN          6.00    (#   1505:10        Unique  4.90, 5.73 A)
 &rst
  ixpk= 1505, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 287, 288, 289,
 &end
#
#   36 LEU  MDX          35 TYR  HN          5.00    (#   1506:10        Unique  5.15, 7.25 A)
 &rst
  ixpk= 1506, nxpk= 10, iat=  -1, 560, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 590, 591, 592, 594, 595, 596,
 &end
#
#   36 LEU  HB+          35 TYR  HN          5.00    (#   1507:10        Unique  4.29, 4.81 A)
 &rst
  ixpk= 1507, nxpk= 10, iat=  -1, 560, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 585, 586,
 &end
#
#   35 TYR  HB+          35 TYR  HN          3.00    (#   1508:10        Unique  2.12, 3.00 A)
 &rst
  ixpk= 1508, nxpk= 10, iat=  -1, 560, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 564, 565,
 &end
#
#    0 AMB  10-2:1509    36 LEU  HN          5.00    (#   1509:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1509, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 543, 544, 628,
 &end
#
#   18 ILE  HA           35 TYR  HN          7.00    (#   1510:10        Unique  5.22, 5.63 A)
 &rst
  ixpk= 1510, nxpk= 10, iat= 283, 560, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  10-2:1512    35 TYR  HN          5.00    (#   1512:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1512, nxpk= 10, iat=  -1, 560, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 489, 490, 583,
 &end
#
#   32 TRP  HA           36 LEU  HN          4.50    (#   1513:10        Unique  3.73, 4.05 A)
 &rst
  ixpk= 1513, nxpk= 10, iat= 496, 581, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:1515    36 LEU  HN          4.50    (#   1515:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1515, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 612, 624,
 &end
#
#   33 TYR  HE           37 ASP  HN          5.20    (#   1516:10        Unique  3.65, 5.34 A)
 &rst
  ixpk= 1516, nxpk= 10, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 528, 533,
 &end
#
#   34 TYR  HD           37 ASP  HN          6.00    (#   1517:10        Unique  5.90, 6.92 A)
 &rst
  ixpk= 1517, nxpk= 10, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 547, 556,
 &end
#
#   35 TYR  HN           37 ASP  HN          5.00    (#   1518:10        Unique  4.41, 4.55 A)
 &rst
  ixpk= 1518, nxpk= 10, iat= 560, 600, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   40 LEU  MDX          37 ASP  HN          6.00    (#   1519:10        Unique  4.12, 5.94 A)
 &rst
  ixpk= 1519, nxpk= 10, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 647, 648, 649, 651, 652, 653,
 &end
#
#    0 AMB  10-2:1520    38 ASP  HN          5.00    (#   1520:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1520, nxpk= 10, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 590, 591, 592, 594, 595, 596, 630, 631, 632,
 &end
#
#   36 LEU  HB+          38 ASP  HN          6.00    (#   1521:10        Unique  4.62, 5.29 A)
 &rst
  ixpk= 1521, nxpk= 10, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 585, 586,
 &end
#
#    0 AMB  10-2:1522    38 ASP  HN          5.30    (#   1522:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1522, nxpk= 10, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
 igr1=1127,1128,1129, 645,
 &end
#
#    0 AMB  10-2:1523    38 ASP  HN          5.00    (#   1523:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1523, nxpk= 10, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 585, 586,1123,1124,
 &end
#
#   38 ASP  HB+          37 ASP  HN          5.00    (#   1524:10        Unique  4.66, 4.95 A)
 &rst
  ixpk= 1524, nxpk= 10, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 616, 617,
 &end
#
#    0 AMB  10-2:1525    37 ASP  HN          6.00    (#   1525:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1525, nxpk= 10, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 564, 565, 543, 544, 676, 677, 498, 499,
 &end
#
#    0 AMB  10-2:1526    37 ASP  HN          5.80    (#   1526:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1526, nxpk= 10, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
 igr1= 564, 565, 498, 499,
 &end
#
#    0 AMB  10-2:1527    37 ASP  HN          5.00    (#   1527:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1527, nxpk= 10, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 628, 543, 544,
 &end
#
#   33 TYR  HA           37 ASP  HN          4.00    (#   1528:10        Unique  3.30, 3.54 A)
 &rst
  ixpk= 1528, nxpk= 10, iat= 520, 600, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   33 TYR  HA           36 LEU  HN          4.00    (#   1530:10        Unique  3.18, 3.29 A)
 &rst
  ixpk= 1530, nxpk= 10, iat= 520, 581, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   39 THR  HA           38 ASP  HN          6.00    (#   1531:10        Unique  5.19, 5.35 A)
 &rst
  ixpk= 1531, nxpk= 10, iat= 626, 612, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   36 LEU  HA           38 ASP  HN          5.00    (#   1532:10        Unique  4.56, 4.78 A)
 &rst
  ixpk= 1532, nxpk= 10, iat= 583, 612, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   36 LEU  HN           38 ASP  HN          4.00    (#   1533:10        Unique  3.84, 4.09 A)
 &rst
  ixpk= 1533, nxpk= 10, iat= 581, 612, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   40 LEU  HN           38 ASP  HN          5.00    (#   1534:10        Unique  4.00, 4.37 A)
 &rst
  ixpk= 1534, nxpk= 10, iat= 638, 612, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:1535    38 ASP  HN          5.00    (#   1535:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1535, nxpk= 10, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 564, 565, 676, 677,
 &end
#
#    0 AMB  10-2:1536    39 THR  HN          4.00    (#   1536:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1536, nxpk= 10, iat=  -1, 624, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1127,1128,1129, 645, 661, 662,
 &end
#
#   40 LEU  HB-          39 THR  HN          5.50    (#   1537:10        Unique  4.05, 5.12 A)
 &rst
  ixpk= 1537, nxpk= 10, iat=  -1, 624, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 642, 643,
 &end
#
#   38 ASP  HB-          40 LEU  HN          6.00    (#   1538:10        Unique  4.95, 5.64 A)
 &rst
  ixpk= 1538, nxpk= 10, iat=  -1, 638, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 616, 617,
 &end
#
#   38 ASP  HB+          40 LEU  HN          6.00    (#   1539:10        Unique  4.95, 5.64 A)
 &rst
  ixpk= 1539, nxpk= 10, iat=  -1, 638, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 616, 617,
 &end
#
#   38 ASP  HA           40 LEU  HN          5.00    (#   1540:10        Unique  4.41, 4.89 A)
 &rst
  ixpk= 1540, nxpk= 10, iat= 614, 638, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   37 ASP  HN           39 THR  HN          4.50    (#   1541:10        Unique  3.91, 4.09 A)
 &rst
  ixpk= 1541, nxpk= 10, iat= 600, 624, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   36 LEU  HN           39 THR  HN          5.00    (#   1542:10        Unique  4.47, 4.59 A)
 &rst
  ixpk= 1542, nxpk= 10, iat= 581, 624, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   40 LEU  HB+          41 GLU  HN          4.00    (#   1543:10        Unique  2.56, 3.49 A)
 &rst
  ixpk= 1543, nxpk= 10, iat=  -1, 657, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 642, 643,
 &end
#
#  109 THR  HA           40 LEU  HN          5.00    (#   1544:10        Unique  4.07, 4.21 A)
 &rst
  ixpk= 1544, nxpk= 10, iat=1712, 638, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:1546    40 LEU  HN          6.00    (#   1546:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1546, nxpk= 10, iat=  -1, 638, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 682, 686, 716, 720,
 &end
#
#    0 AMB  10-2:1548    40 LEU  HN          5.00    (#   1548:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1548, nxpk= 10, iat=  -1, 638, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 680, 688, 714, 722,
 &end
#
#    0 AMB  10-2:1549    41 GLU  HN          5.00    (#   1549:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1549, nxpk= 10, iat=  -1, 657, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 716, 720, 682, 686,
 &end
#
#   44 PHE  HD           41 GLU  HN          5.00    (#   1551:10        Unique  3.95, 5.14 A)
 &rst
  ixpk= 1551, nxpk= 10, iat=  -1, 657, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 714, 722,
 &end
#
#   40 LEU  HN           41 GLU  HN          5.00    (#   1552:10        Unique  2.78, 4.45 A)
 &rst
  ixpk= 1552, nxpk= 10, iat= 638, 657, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:1553    45 MET  HN          6.00    (#   1553:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1553, nxpk= 10, iat=  -1, 726, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1078,1640,1641,1642,
 &end
#
#    0 AMB  10-2:1554    45 MET  HN          5.00    (#   1554:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1554, nxpk= 10, iat=  -1, 726, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1080,1081,1082,1084,1085,1086,1716,1717,1718,1335,
      1336,1337,1339,1340,1341,
 &end
#
#  103 ILE  HB           45 MET  HN          5.00    (#   1555:10        Unique  4.92, 5.07 A)
 &rst
  ixpk= 1555, nxpk= 10, iat=1631, 726, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   64 GLU  HG-          44 PHE  HN          4.00    (#   1556:10        Unique  2.91, 4.24 A)
 &rst
  ixpk= 1556, nxpk= 10, iat=  -1, 706, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1066,1067,
 &end
#
#   43 PRO  HD-          44 PHE  HN          6.00    (#   1557:10        Unique  5.57, 5.61 A)
 &rst
  ixpk= 1557, nxpk= 10, iat=  -1, 706, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 693, 694,
 &end
#
#   66 LEU  HA           44 PHE  HN          5.00    (#   1558:10        Unique  4.26, 4.57 A)
 &rst
  ixpk= 1558, nxpk= 10, iat=1092, 706, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:1561    44 PHE  HN          5.00    (#   1561:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1561, nxpk= 10, iat=  -1, 706, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 682, 686, 716, 720,
 &end
#
#   44 PHE  HN           45 MET  HN          5.00    (#   1562:10        Unique  4.07, 4.16 A)
 &rst
  ixpk= 1562, nxpk= 10, iat= 706, 726, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  103 ILE  HN           45 MET  HN          5.00    (#   1563:10        Unique  4.60, 4.86 A)
 &rst
  ixpk= 1563, nxpk= 10, iat=1627, 726, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   44 PHE  HE           45 MET  HN          6.00    (#   1564:10        Unique  5.35, 6.53 A)
 &rst
  ixpk= 1564, nxpk= 10, iat=  -1, 726, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 716, 720,
 &end
#
#   44 PHE  HD           46 GLY  HN          6.00    (#   1565:10        Unique  4.20, 6.09 A)
 &rst
  ixpk= 1565, nxpk= 10, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 714, 722,
 &end
#
#   44 PHE  HE           46 GLY  HN          6.00    (#   1566:10        Unique  4.20, 6.22 A)
 &rst
  ixpk= 1566, nxpk= 10, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 716, 720,
 &end
#
#  103 ILE  HN           46 GLY  HN          5.00    (#   1567:10        Unique  4.22, 4.46 A)
 &rst
  ixpk= 1567, nxpk= 10, iat=1627, 743, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:1568    45 MET  HN          5.00    (#   1568:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1568, nxpk= 10, iat=  -1, 726, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1633,1634,1635,1380,1381,1382,
 &end
#
#   63 VAL  MGY          46 GLY  HN          4.00    (#   1569:10        Unique  2.41, 4.91 A)
 &rst
  ixpk= 1569, nxpk= 10, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1049,1050,1051,1053,1054,1055,
 &end
#
#    0 AMB  10-2:1570    47 LYS  HN          5.50    (#   1570:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1570, nxpk= 10, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
 igr1=1080,1081,1082,1084,1085,1086,1335,1336,1337,1339,
      1340,1341,1716,1717,1718,
 &end
#
#   63 VAL  MGY          47 LYS  HN          5.00    (#   1571:10        Unique  5.22, 7.13 A)
 &rst
  ixpk= 1571, nxpk= 10, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1049,1050,1051,1053,1054,1055,
 &end
#
#  100 ILE  HG1-         46 GLY  HN          6.80    (#   1572:10        Unique  3.75, 4.88 A)
 &rst
  ixpk= 1572, nxpk= 10, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr1=1593,1594,
 &end
#
#  101 GLU  HG+          47 LYS  HN          4.50    (#   1574:10        Unique  3.26, 3.99 A)
 &rst
  ixpk= 1574, nxpk= 10, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1609,1610,
 &end
#
#   47 LYS  HE+          47 LYS  HN          5.50    (#   1575:10        Unique  4.60, 5.20 A)
 &rst
  ixpk= 1575, nxpk= 10, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 763, 764,
 &end
#
#  102 ALA  HA           46 GLY  HN          5.50    (#   1576:10        Unique  4.41, 5.06 A)
 &rst
  ixpk= 1576, nxpk= 10, iat=1619, 743, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  103 ILE  HN           47 LYS  HN          4.40    (#   1577:10        Unique  3.45, 3.85 A)
 &rst
  ixpk= 1577, nxpk= 10, iat=1627, 750, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#   48 TRP  HN           47 LYS  HN          5.00    (#   1578:10        Unique  4.20, 4.24 A)
 &rst
  ixpk= 1578, nxpk= 10, iat= 772, 750, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   48 TRP  HE1          49 LYS  HN          5.00    (#   1579:10        Unique  5.13, 5.25 A)
 &rst
  ixpk= 1579, nxpk= 10, iat= 782, 796, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   48 TRP  HN           49 LYS  HN          5.00    (#   1580:10        Unique  4.20, 4.21 A)
 &rst
  ixpk= 1580, nxpk= 10, iat= 772, 796, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  101 GLU  HN           49 LYS  HN          4.50    (#   1581:10        Unique  3.65, 3.93 A)
 &rst
  ixpk= 1581, nxpk= 10, iat=1602, 796, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   50 LYS  HN           49 LYS  HN          4.50    (#   1582:10        Unique  4.12, 4.18 A)
 &rst
  ixpk= 1582, nxpk= 10, iat= 818, 796, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   48 TRP  HD1          50 LYS  HN          4.50    (#   1583:10        Unique  3.65, 3.79 A)
 &rst
  ixpk= 1583, nxpk= 10, iat= 780, 818, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   48 TRP  HA           50 LYS  HN          5.50    (#   1584:10        Unique  5.04, 5.16 A)
 &rst
  ixpk= 1584, nxpk= 10, iat= 774, 818, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   60 GLU  HA           49 LYS  HN          5.00    (#   1585:10        Unique  4.34, 4.54 A)
 &rst
  ixpk= 1585, nxpk= 10, iat= 994, 796, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  101 GLU  HB+          49 LYS  HN          5.50    (#   1587:10        Unique  4.25, 4.78 A)
 &rst
  ixpk= 1587, nxpk= 10, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1606,1607,
 &end
#
#    0 AMB  10-2:1588    49 LYS  HN          5.00    (#   1588:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1588, nxpk= 10, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1606,1607,1011,1012,
 &end
#
#    0 AMB  10-2:1590    50 LYS  HN          3.00    (#   1590:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1590, nxpk= 10, iat=  -1, 818, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1= 822, 823, 964, 965, 966,
 &end
#
#   59 GLU  HN           50 LYS  HN          4.00    (#   1591:10        Unique  2.98, 3.32 A)
 &rst
  ixpk= 1591, nxpk= 10, iat= 977, 818, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   50 LYS  HN           51 LYS  HN          5.00    (#   1592:10        Unique  4.14, 4.51 A)
 &rst
  ixpk= 1592, nxpk= 10, iat= 818, 840, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:1593    52 SER  HN          6.00    (#   1593:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1593, nxpk= 10, iat=  -1, 862, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 822, 823, 847, 848,
 &end
#
#   51 LYS  HB-          52 SER  HN          5.50    (#   1594:10        Unique  1.91, 3.86 A)
 &rst
  ixpk= 1594, nxpk= 10, iat=  -1, 862, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 844, 845,
 &end
#
#   24 ASP  HB+          27 GLU  HN          3.50    (#   1595:10        Unique  2.13, 2.84 A)
 &rst
  ixpk= 1595, nxpk= 10, iat=  -1, 421, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 376, 377,
 &end
#
#   59 GLU  HB+          59 GLU  HN          3.00    (#   1596:10        Unique  2.19, 2.90 A)
 &rst
  ixpk= 1596, nxpk= 10, iat=  -1, 977, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 981, 982,
 &end
#
#    0 AMB  10-2:1597    61 LYS  HN          5.50    (#   1597:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1597, nxpk= 10, iat=  -1,1007, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 822, 823, 964, 965, 966,
 &end
#
#   63 VAL  MGY          61 LYS  HN          5.00    (#   1598:10        Unique  4.97, 6.48 A)
 &rst
  ixpk= 1598, nxpk= 10, iat=  -1,1007, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1049,1050,1051,1053,1054,1055,
 &end
#
#   48 TRP  HB-          61 LYS  HN          4.00    (#   1599:10        Unique  2.30, 3.41 A)
 &rst
  ixpk= 1599, nxpk= 10, iat=  -1,1007, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 776, 777,
 &end
#
#   48 TRP  HD1          61 LYS  HN          5.40    (#   1600:10        Unique  4.54, 4.80 A)
 &rst
  ixpk= 1600, nxpk= 10, iat= 780,1007, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#   93 TYR  HD           83 ALA  HN          7.50    (#   1601:10        Unique  4.78, 6.98 A)
 &rst
  ixpk= 1601, nxpk= 10, iat=  -1,1345, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
 igr1=1482,1491,
 &end
#
#   50 LYS  HN           61 LYS  HN          4.00    (#   1602:10        Unique  3.51, 3.79 A)
 &rst
  ixpk= 1602, nxpk= 10, iat= 818,1007, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:1603     0 AMB  10-1:1603   5.00    (#   1603:10        Double  0.00, 0.00  )
 &rst
  ixpk= 1603, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 772,1074,
 igr2=1029,1345,
 &end
#
#   63 VAL  HN            0 AMB  10-1:1604   5.00    (#   1604:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1604, nxpk= 10, iat=1043,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1029,1345,
 &end
#
#    0 AMB  10-2:1605    63 VAL  HN          5.00    (#   1605:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1605, nxpk= 10, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 776, 777, 745, 746,
 &end
#
#   48 TRP  HB-          63 VAL  HN          6.00    (#   1606:10        Unique  4.41, 5.24 A)
 &rst
  ixpk= 1606, nxpk= 10, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 776, 777,
 &end
#
#    0 AMB  10-2:1607    63 VAL  HN          5.00    (#   1607:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1607, nxpk= 10, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1371, 996, 997,
 &end
#
#    0 AMB  10-2:1608    63 VAL  HN          4.50    (#   1608:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1608, nxpk= 10, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 760, 761,1333,
 &end
#
#    0 AMB  10-2:1609    63 VAL  HN          4.80    (#   1609:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1609, nxpk= 10, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=1593,1594, 757, 758,1014,1015,1014,1015,
 &end
#
#  103 ILE  QD1          63 VAL  HN          5.00    (#   1610:10        Unique  4.29, 6.05 A)
 &rst
  ixpk= 1610, nxpk= 10, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1640,1641,1642,
 &end
#
#  100 ILE  QD1          63 VAL  HN          5.00    (#   1611:10        Unique  3.60, 5.11 A)
 &rst
  ixpk= 1611, nxpk= 10, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1596,1597,1598,
 &end
#
#   63 VAL  MGX          63 VAL  HN          3.00    (#   1612:10        Unique  2.19, 3.56 A)
 &rst
  ixpk= 1612, nxpk= 10, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1049,1050,1051,1053,1054,1055,
 &end
#
#   82 VAL  MGX          64 GLU  HN          5.00    (#   1613:10        Unique  2.06, 4.26 A)
 &rst
  ixpk= 1613, nxpk= 10, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1335,1336,1337,1339,1340,1341,
 &end
#
#   66 LEU  MDX          64 GLU  HN          5.00    (#   1614:10        Unique  4.59, 6.29 A)
 &rst
  ixpk= 1614, nxpk= 10, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1099,1100,1101,1103,1104,1105,
 &end
#
#   85 ILE  HG1+         64 GLU  HN          4.00    (#   1615:10        Unique  3.21, 4.54 A)
 &rst
  ixpk= 1615, nxpk= 10, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1377,1378,
 &end
#
#   82 VAL  HA           64 GLU  HN          6.00    (#   1616:10        Unique  3.44, 3.85 A)
 &rst
  ixpk= 1616, nxpk= 10, iat=1331,1059, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   65 VAL  HN           64 GLU  HN          5.00    (#   1617:10        Unique  4.13, 4.23 A)
 &rst
  ixpk= 1617, nxpk= 10, iat=1074,1059, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:1618    64 GLU  HN          4.00    (#   1618:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1618, nxpk= 10, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1043, 743,
 &end
#
#   85 ILE  HN           64 GLU  HN          4.20    (#   1619:10        Unique  3.41, 3.82 A)
 &rst
  ixpk= 1619, nxpk= 10, iat=1367,1059, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   93 TYR  HD           84 ASP  HN          6.00    (#   1621:10        Unique  3.74, 5.44 A)
 &rst
  ixpk= 1621, nxpk= 10, iat=  -1,1355, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1482,1491,
 &end
#
#   84 ASP  HA           64 GLU  HN          4.00    (#   1623:10        Unique  4.17, 4.43 A)
 &rst
  ixpk= 1623, nxpk= 10, iat=1357,1059, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   84 ASP  HA           63 VAL  HN          5.20    (#   1624:10        Unique  4.80, 5.20 A)
 &rst
  ixpk= 1624, nxpk= 10, iat=1357,1043, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#    0 AMB  10-2:1626    64 GLU  HN          3.00    (#   1626:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1626, nxpk= 10, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1=1377,1378,1349,1350,1351,
 &end
#
#    0 AMB  10-2:1627     0 AMB  10-1:1627   5.00    (#   1627:10        Double  0.00, 0.00  )
 &rst
  ixpk= 1627, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 803, 804,1035,1036,1037,1377,1378,1377,1378,
 igr2= 772,1074,
 &end
#
#   65 VAL  HN           66 LEU  HN          5.00    (#   1628:10        Unique  4.44, 4.55 A)
 &rst
  ixpk= 1628, nxpk= 10, iat=1074,1090, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:1629    66 LEU  HN          6.00    (#   1629:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1629, nxpk= 10, iat=  -1,1090, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 680, 688, 714, 722,
 &end
#
#   82 VAL  HA           67 GLY  HN          5.00    (#   1630:10        Unique  4.59, 5.21 A)
 &rst
  ixpk= 1630, nxpk= 10, iat=1331,1109, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   80 VAL  HB           66 LEU  HN          5.50    (#   1633:10        Unique  3.12, 4.00 A)
 &rst
  ixpk= 1633, nxpk= 10, iat=1302,1090, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   66 LEU  HB+          66 LEU  HN          3.50    (#   1635:10        Unique  2.22, 2.96 A)
 &rst
  ixpk= 1635, nxpk= 10, iat=  -1,1090, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1094,1095,
 &end
#
#    0 AMB  10-2:1636    66 LEU  HN          3.00    (#   1636:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1636, nxpk= 10, iat=  -1,1090, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1=1099,1100,1101,1103,1104,1105,1099,1100,1101,1103,
      1104,1105,1097,
 &end
#
#   80 VAL  HA           67 GLY  HN          5.00    (#   1637:10        Unique  4.00, 4.64 A)
 &rst
  ixpk= 1637, nxpk= 10, iat=1300,1109, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:1638    68 MET  HN          5.00    (#   1638:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1638, nxpk= 10, iat=  -1,1116, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1135, 602,
 &end
#
#   68 MET  HG+          68 MET  HN          3.00    (#   1639:10        Unique  1.69, 4.06 A)
 &rst
  ixpk= 1639, nxpk= 10, iat=  -1,1116, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1123,1124,
 &end
#
#   68 MET  HB-          68 MET  HN          4.00    (#   1640:10        Unique  2.77, 3.46 A)
 &rst
  ixpk= 1640, nxpk= 10, iat=  -1,1116, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1120,1121,
 &end
#
#   68 MET  HG-          68 MET  HN          4.50    (#   1641:10        Unique  1.69, 4.06 A)
 &rst
  ixpk= 1641, nxpk= 10, iat=  -1,1116, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1123,1124,
 &end
#
#   80 VAL  MGY          68 MET  HN          5.00    (#   1642:10        Unique  3.60, 5.68 A)
 &rst
  ixpk= 1642, nxpk= 10, iat=  -1,1116, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1304,1305,1306,1308,1309,1310,
 &end
#
#   80 VAL  MGX          69 ALA  HN          5.00    (#   1643:10        Unique  3.66, 5.81 A)
 &rst
  ixpk= 1643, nxpk= 10, iat=  -1,1133, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1304,1305,1306,1308,1309,1310,
 &end
#
#    0 AMB  10-2:1644    69 ALA  HN          4.80    (#   1644:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1644, nxpk= 10, iat=  -1,1133, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1321,1322,1185,1186,
 &end
#
#   68 MET  HG+          69 ALA  HN          4.50    (#   1645:10        Unique  2.49, 3.72 A)
 &rst
  ixpk= 1645, nxpk= 10, iat=  -1,1133, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1123,1124,
 &end
#
#   79 TYR  HB-          69 ALA  HN          4.00    (#   1646:10        Unique  3.08, 4.65 A)
 &rst
  ixpk= 1646, nxpk= 10, iat=  -1,1133, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1281,1282,
 &end
#
#    0 AMB  10-2:1647    69 ALA  HN          5.00    (#   1647:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1647, nxpk= 10, iat=  -1,1133, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1144,1145,1111,1112,
 &end
#
#   70 PRO  HD-          69 ALA  HN          5.00    (#   1648:10        Unique  4.53, 4.86 A)
 &rst
  ixpk= 1648, nxpk= 10, iat=  -1,1133, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1144,1145,
 &end
#
#   70 PRO  HD+          71 ASP  HN          5.50    (#   1650:10        Unique  5.42, 5.57 A)
 &rst
  ixpk= 1650, nxpk= 10, iat=  -1,1157, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1144,1145,
 &end
#
#    0 AMB  10-2:1651    69 ALA  HN          5.00    (#   1651:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1651, nxpk= 10, iat=  -1,1133, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1287,1292, 528, 533,
 &end
#
#   80 VAL  HN           69 ALA  HN          5.00    (#   1652:10        Unique  4.19, 4.60 A)
 &rst
  ixpk= 1652, nxpk= 10, iat=1298,1133, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   72 ASP  HB-          71 ASP  HN          5.00    (#   1654:10        Unique  5.08, 5.79 A)
 &rst
  ixpk= 1654, nxpk= 10, iat=  -1,1157, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1173,1174,
 &end
#
#   75 LEU  MDY          72 ASP  HN          5.00    (#   1655:10        Unique  5.02, 6.51 A)
 &rst
  ixpk= 1655, nxpk= 10, iat=  -1,1169, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1216,1217,1218,1220,1221,1222,
 &end
#
#   75 LEU  MDX          72 ASP  HN          5.00    (#   1656:10        Unique  5.02, 6.51 A)
 &rst
  ixpk= 1656, nxpk= 10, iat=  -1,1169, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1216,1217,1218,1220,1221,1222,
 &end
#
#   71 ASP  HN           73 GLU  HN          5.00    (#   1657:10        Unique  4.20, 4.55 A)
 &rst
  ixpk= 1657, nxpk= 10, iat=1157,1181, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   75 LEU  HN           73 GLU  HN          5.00    (#   1658:10        Unique  4.79, 4.95 A)
 &rst
  ixpk= 1658, nxpk= 10, iat=1207,1181, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   74 CYS  HA           73 GLU  HN          5.00    (#   1659:10        Unique  4.61, 4.67 A)
 &rst
  ixpk= 1659, nxpk= 10, iat=1198,1181, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   71 ASP  HA           73 GLU  HN          4.00    (#   1661:10        Unique  3.30, 3.41 A)
 &rst
  ixpk= 1661, nxpk= 10, iat=1159,1181, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:1662    73 GLU  HN          3.00    (#   1662:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1662, nxpk= 10, iat=  -1,1181, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1185,1186,1188,1189,
 &end
#
#    0 AMB  10-2:1663    73 GLU  HN          3.80    (#   1663:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1663, nxpk= 10, iat=  -1,1181, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1=1185,1186,1147,1148,
 &end
#
#   69 ALA  MB           74 CYS  HN          5.00    (#   1664:10        Unique  3.57, 4.79 A)
 &rst
  ixpk= 1664, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1137,1138,1139,
 &end
#
#    0 AMB  10-2:1665    74 CYS  HN          5.00    (#   1665:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1665, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1211,1212,1233,1234,
 &end
#
#   69 ALA  MB           73 GLU  HN          5.00    (#   1666:10        Unique  3.97, 5.42 A)
 &rst
  ixpk= 1666, nxpk= 10, iat=  -1,1181, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1137,1138,1139,
 &end
#
#   74 CYS  HB-          75 LEU  HN          4.50    (#   1667:10        Unique  1.88, 4.09 A)
 &rst
  ixpk= 1667, nxpk= 10, iat=  -1,1207, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1200,1201,
 &end
#
#   74 CYS  HB+          75 LEU  HN          4.50    (#   1668:10        Unique  1.88, 4.09 A)
 &rst
  ixpk= 1668, nxpk= 10, iat=  -1,1207, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1200,1201,
 &end
#
#   79 TYR  HD           74 CYS  HN          6.00    (#   1669:10        Unique  6.06, 6.77 A)
 &rst
  ixpk= 1669, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1285,1294,
 &end
#
#    0 AMB  10-2:1670    74 CYS  HN          5.50    (#   1670:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1670, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1287,1292, 528, 533,
 &end
#
#   79 TYR  HE           75 LEU  HN          6.00    (#   1671:10        Unique  4.23, 6.99 A)
 &rst
  ixpk= 1671, nxpk= 10, iat=  -1,1207, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1287,1292,
 &end
#
#    0 AMB  10-2:1672    74 CYS  HN          6.00    (#   1672:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1672, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1157,1248,
 &end
#
#    0 AMB  10-2:1673    74 CYS  HN          6.00    (#   1673:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1673, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1226,1260,
 &end
#
#   73 GLU  HN           75 LEU  HN          5.00    (#   1674:10        Unique  4.79, 4.95 A)
 &rst
  ixpk= 1674, nxpk= 10, iat=1181,1207, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   79 TYR  HD           76 LYS  HN          6.00    (#   1675:10        Unique  5.49, 7.41 A)
 &rst
  ixpk= 1675, nxpk= 10, iat=  -1,1226, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1285,1294,
 &end
#
#   79 TYR  HE           76 LYS  HN          5.00    (#   1676:10        Unique  4.25, 7.15 A)
 &rst
  ixpk= 1676, nxpk= 10, iat=  -1,1226, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1287,1292,
 &end
#
#   76 LYS  HA           75 LEU  HN          5.20    (#   1677:10        Unique  4.51, 4.66 A)
 &rst
  ixpk= 1677, nxpk= 10, iat=1228,1207, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   73 GLU  HA           75 LEU  HN          4.00    (#   1678:10        Unique  4.28, 4.65 A)
 &rst
  ixpk= 1678, nxpk= 10, iat=1183,1207, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   75 LEU  MDX          76 LYS  HN          5.00    (#   1679:10        Unique  5.07, 6.06 A)
 &rst
  ixpk= 1679, nxpk= 10, iat=  -1,1226, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1216,1217,1218,1220,1221,1222,
 &end
#
#   29 ALA  MB           76 LYS  HN          4.00    (#   1680:10        Unique  2.06, 3.14 A)
 &rst
  ixpk= 1680, nxpk= 10, iat=  -1,1226, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 464, 465, 466,
 &end
#
#   29 ALA  MB           77 ASP  HN          5.00    (#   1681:10        Unique  3.61, 4.65 A)
 &rst
  ixpk= 1681, nxpk= 10, iat=  -1,1248, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 464, 465, 466,
 &end
#
#   75 LEU  MDX          77 ASP  HN          6.00    (#   1682:10        Unique  6.94, 7.72 A)
 &rst
  ixpk= 1682, nxpk= 10, iat=  -1,1248, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1216,1217,1218,1220,1221,1222,
 &end
#
#    0 AMB  10-2:1683    77 ASP  HN          6.00    (#   1683:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1683, nxpk= 10, iat=  -1,1248, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1214, 481, 482, 483,
 &end
#
#   77 ASP  HB-          76 LYS  HN          5.00    (#   1684:10        Unique  4.51, 5.27 A)
 &rst
  ixpk= 1684, nxpk= 10, iat=  -1,1226, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1252,1253,
 &end
#
#   74 CYS  HB-          76 LYS  HN          5.50    (#   1685:10        Unique  2.98, 4.88 A)
 &rst
  ixpk= 1685, nxpk= 10, iat=  -1,1226, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1200,1201,
 &end
#
#   76 LYS  HE+          76 LYS  HN          5.50    (#   1686:10        Unique  3.78, 4.92 A)
 &rst
  ixpk= 1686, nxpk= 10, iat=  -1,1226, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1239,1240,
 &end
#
#   75 LEU  HA           77 ASP  HN          5.00    (#   1688:10        Unique  4.97, 5.18 A)
 &rst
  ixpk= 1688, nxpk= 10, iat=1209,1248, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   78 MET  HB+          78 MET  HN          3.80    (#   1689:10        Unique  2.28, 3.10 A)
 &rst
  ixpk= 1689, nxpk= 10, iat=  -1,1260, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1=1264,1265,
 &end
#
#    0 AMB  10-2:1690    78 MET  HN          6.00    (#   1690:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1690, nxpk= 10, iat=  -1,1260, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1127,1128,1129,1548,1236,1237,
 &end
#
#   78 MET  ME           78 MET  HN          4.00    (#   1691:10        Unique  2.47, 4.10 A)
 &rst
  ixpk= 1691, nxpk= 10, iat=  -1,1260, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1271,1272,1273,
 &end
#
#  124 TYR  HE           78 MET  HN          5.20    (#   1692:10        Unique  4.25, 6.27 A)
 &rst
  ixpk= 1692, nxpk= 10, iat=  -1,1260, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1=1965,1970,
 &end
#
#   79 TYR  HD           78 MET  HN          5.50    (#   1693:10        Unique  3.27, 5.87 A)
 &rst
  ixpk= 1693, nxpk= 10, iat=  -1,1260, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1285,1294,
 &end
#
#   80 VAL  HN           79 TYR  HN          5.00    (#   1694:10        Unique  4.34, 4.38 A)
 &rst
  ixpk= 1694, nxpk= 10, iat=1298,1277, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:1695    79 TYR  HN          6.00    (#   1695:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1695, nxpk= 10, iat=  -1,1277, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1260,1226,
 &end
#
#    0 AMB  10-2:1696    80 VAL  HN          6.00    (#   1696:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1696, nxpk= 10, iat=  -1,1298, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1287,1292, 528, 533,
 &end
#
#   79 TYR  HN           80 VAL  HN          5.00    (#   1697:10        Unique  4.34, 4.38 A)
 &rst
  ixpk= 1697, nxpk= 10, iat=1277,1298, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   74 CYS  HA           79 TYR  HN          5.00    (#   1698:10        Unique  4.16, 4.56 A)
 &rst
  ixpk= 1698, nxpk= 10, iat=1198,1277, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:1699    79 TYR  HN          5.00    (#   1699:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1699, nxpk= 10, iat=  -1,1277, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1499,1521,
 &end
#
#   74 CYS  HB+          79 TYR  HN          5.00    (#   1700:10        Unique  3.28, 4.50 A)
 &rst
  ixpk= 1700, nxpk= 10, iat=  -1,1277, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1200,1201,
 &end
#
#   94 THR  HA           80 VAL  HN          4.20    (#   1701:10        Unique  3.33, 3.66 A)
 &rst
  ixpk= 1701, nxpk= 10, iat=1497,1298, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#    0 AMB  10-2:1702    80 VAL  HN          5.00    (#   1702:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1702, nxpk= 10, iat=  -1,1298, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1314,1495,
 &end
#
#   96 LYS  HB-          80 VAL  HN          6.00    (#   1703:10        Unique  2.97, 4.43 A)
 &rst
  ixpk= 1703, nxpk= 10, iat=  -1,1298, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1523,1524,
 &end
#
#   80 VAL  HN           81 GLU  HN          5.00    (#   1704:10        Unique  4.26, 4.33 A)
 &rst
  ixpk= 1704, nxpk= 10, iat=1298,1314, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   82 VAL  HN           81 GLU  HN          5.00    (#   1705:10        Unique  4.25, 4.33 A)
 &rst
  ixpk= 1705, nxpk= 10, iat=1329,1314, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:1706    82 VAL  HN          4.00    (#   1706:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1706, nxpk= 10, iat=  -1,1329, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1314,1495,
 &end
#
#   93 TYR  HD           82 VAL  HN          7.00    (#   1707:10        Unique  4.27, 5.91 A)
 &rst
  ixpk= 1707, nxpk= 10, iat=  -1,1329, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1482,1491,
 &end
#
#    0 AMB  10-2:1708     0 AMB  10-1:1708   3.00    (#   1708:10        Double  0.00, 0.00  )
 &rst
  ixpk= 1708, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1770,1321,1322,
 igr2=1785,1314,
 &end
#
#   81 GLU  HB+          81 GLU  HN          3.00    (#   1709:10        Unique  2.18, 2.88 A)
 &rst
  ixpk= 1709, nxpk= 10, iat=  -1,1314, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1318,1319,
 &end
#
#   81 GLU  HB-          81 GLU  HN          4.00    (#   1710:10        Unique  2.18, 2.88 A)
 &rst
  ixpk= 1710, nxpk= 10, iat=  -1,1314, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1318,1319,
 &end
#
#   82 VAL  HA           83 ALA  HN          3.00    (#   1711:10        Unique  2.26, 2.42 A)
 &rst
  ixpk= 1711, nxpk= 10, iat=1331,1345, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   82 VAL  MGX          64 GLU  HN          5.00    (#   1712:10        Unique  2.06, 4.26 A)
 &rst
  ixpk= 1712, nxpk= 10, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1335,1336,1337,1339,1340,1341,
 &end
#
#   63 VAL  MGX          85 ILE  HN          5.00    (#   1713:10        Unique  2.80, 4.96 A)
 &rst
  ixpk= 1713, nxpk= 10, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1049,1050,1051,1053,1054,1055,
 &end
#
#    0 AMB  10-2:1714    86 GLY  HN          4.00    (#   1714:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1714, nxpk= 10, iat=  -1,1386, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1422,1367,
 &end
#
#   87 GLY  HN           86 GLY  HN          3.00    (#   1715:10        Unique  1.84, 1.88 A)
 &rst
  ixpk= 1715, nxpk= 10, iat=1393,1386, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:1716    86 GLY  HN          5.00    (#   1716:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1716, nxpk= 10, iat=  -1,1386, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1371,1404,1405,
 &end
#
#    0 AMB  10-2:1717    86 GLY  HN          5.00    (#   1717:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1717, nxpk= 10, iat=  -1,1386, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr1=1377,1378,1407,1408,1349,1350,1351,
 &end
#
#   88 LYS  HG+          89 ASP  HN          5.00    (#   1721:10        Unique  3.57, 4.24 A)
 &rst
  ixpk= 1721, nxpk= 10, iat=  -1,1422, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1407,1408,
 &end
#
#   84 ASP  HN           91 ASP  HN          5.00    (#   1722:10        Unique  4.04, 4.41 A)
 &rst
  ixpk= 1722, nxpk= 10, iat=1355,1446, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:1723    92 VAL  HN          6.00    (#   1723:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1723, nxpk= 10, iat=  -1,1458, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1355,1345,
 &end
#
#   93 TYR  HE           91 ASP  HN          7.00    (#   1724:10        Unique  5.08, 6.51 A)
 &rst
  ixpk= 1724, nxpk= 10, iat=  -1,1446, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1484,1489,
 &end
#
#   93 TYR  HD           92 VAL  HN          7.00    (#   1725:10        Unique  3.51, 5.38 A)
 &rst
  ixpk= 1725, nxpk= 10, iat=  -1,1458, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1482,1491,
 &end
#
#   93 TYR  HE           92 VAL  HN          7.00    (#   1726:10        Unique  3.70, 5.48 A)
 &rst
  ixpk= 1726, nxpk= 10, iat=  -1,1458, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1484,1489,
 &end
#
#   91 ASP  HB-          91 ASP  HN          4.00    (#   1727:10        Unique  2.20, 2.94 A)
 &rst
  ixpk= 1727, nxpk= 10, iat=  -1,1446, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1450,1451,
 &end
#
#   91 ASP  HB+          92 VAL  HN          4.00    (#   1728:10        Unique  2.82, 3.61 A)
 &rst
  ixpk= 1728, nxpk= 10, iat=  -1,1458, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1450,1451,
 &end
#
#   93 TYR  HE           93 TYR  HN          6.00    (#   1729:10        Unique  3.91, 4.93 A)
 &rst
  ixpk= 1729, nxpk= 10, iat=  -1,1474, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1484,1489,
 &end
#
#   83 ALA  HA           92 VAL  HN          5.20    (#   1730:10        Unique  4.51, 4.63 A)
 &rst
  ixpk= 1730, nxpk= 10, iat=1347,1458, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#    0 AMB  10-2:1731    94 THR  HN          5.00    (#   1731:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1731, nxpk= 10, iat=  -1,1495, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1464,1465,1466,1468,1469,1470,1464,1465,1466,1468,
      1469,1470,
 &end
#
#   95 ALA  MB           94 THR  HN          6.50    (#   1732:10        Unique  4.10, 4.95 A)
 &rst
  ixpk= 1732, nxpk= 10, iat=  -1,1495, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1=1513,1514,1515,
 &end
#
#   82 VAL  MGY          94 THR  HN          7.00    (#   1733:10        Unique  4.75, 7.00 A)
 &rst
  ixpk= 1733, nxpk= 10, iat=  -1,1495, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1335,1336,1337,1339,1340,1341,
 &end
#
#   48 TRP  HZ3          94 THR  HN          5.50    (#   1734:10        Unique  4.37, 4.67 A)
 &rst
  ixpk= 1734, nxpk= 10, iat= 789,1495, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   93 TYR  HE           94 THR  HN          7.50    (#   1735:10        Unique  6.90, 7.27 A)
 &rst
  ixpk= 1735, nxpk= 10, iat=  -1,1495, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
 igr1=1484,1489,
 &end
#
#   82 VAL  HN           94 THR  HN          5.00    (#   1736:10        Unique  4.68, 4.82 A)
 &rst
  ixpk= 1736, nxpk= 10, iat=1329,1495, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   79 TYR  HA           95 ALA  HN          6.00    (#   1737:10        Unique  3.67, 4.17 A)
 &rst
  ixpk= 1737, nxpk= 10, iat=1279,1509, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   79 TYR  HB-          95 ALA  HN          5.50    (#   1738:10        Unique  2.46, 4.20 A)
 &rst
  ixpk= 1738, nxpk= 10, iat=  -1,1509, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1281,1282,
 &end
#
#    0 AMB  10-2:1739    96 LYS  HN          5.00    (#   1739:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1739, nxpk= 10, iat=  -1,1519, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1335,1336,1337,1339,1340,1341,1080,1081,1082,1084,
      1085,1086,
 &end
#
#   99 ASP  HB+          96 LYS  HN          6.00    (#   1740:10        Unique  4.87, 5.48 A)
 &rst
  ixpk= 1740, nxpk= 10, iat=  -1,1519, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1575,1576,
 &end
#
#   99 ASP  HN           96 LYS  HN          4.50    (#   1741:10        Unique  3.61, 3.73 A)
 &rst
  ixpk= 1741, nxpk= 10, iat=1571,1519, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   97 LEU  HN           96 LYS  HN          4.50    (#   1742:10        Unique  3.80, 3.96 A)
 &rst
  ixpk= 1742, nxpk= 10, iat=1541,1519, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  116 TRP  HE1          97 LEU  HN          5.00    (#   1743:10        Unique  4.99, 5.49 A)
 &rst
  ixpk= 1743, nxpk= 10, iat=1817,1541, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   96 LYS  HN           98 SER  HN          5.00    (#   1744:10        Unique  3.42, 3.65 A)
 &rst
  ixpk= 1744, nxpk= 10, iat=1519,1560, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  116 TRP  HD1          98 SER  HN          5.00    (#   1746:10        Unique  4.72, 5.32 A)
 &rst
  ixpk= 1746, nxpk= 10, iat=1815,1560, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   97 LEU  HB-          97 LEU  HN          3.00    (#   1748:10        Unique  2.20, 2.98 A)
 &rst
  ixpk= 1748, nxpk= 10, iat=  -1,1541, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1545,1546,
 &end
#
#   99 ASP  HB-          98 SER  HN          6.00    (#   1749:10        Unique  4.92, 5.39 A)
 &rst
  ixpk= 1749, nxpk= 10, iat=  -1,1560, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1575,1576,
 &end
#
#   96 LYS  HN           99 ASP  HN          5.00    (#   1750:10        Unique  3.61, 3.73 A)
 &rst
  ixpk= 1750, nxpk= 10, iat=1519,1571, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   49 LYS  HN           99 ASP  HN          6.00    (#   1751:10        Unique  5.83, 5.95 A)
 &rst
  ixpk= 1751, nxpk= 10, iat= 796,1571, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  120 LEU  MDY          99 ASP  HN          5.00    (#   1752:10        Unique  5.11, 7.38 A)
 &rst
  ixpk= 1752, nxpk= 10, iat=  -1,1571, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1904,1905,1906,1908,1909,1910,
 &end
#
#  117 LEU  MDY          99 ASP  HN          5.00    (#   1753:10        Unique  3.45, 5.36 A)
 &rst
  ixpk= 1753, nxpk= 10, iat=  -1,1571, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1840,1841,1842,1844,1845,1846,
 &end
#
#   98 SER  HN          100 ILE  HN          5.00    (#   1754:10        Unique  4.60, 4.74 A)
 &rst
  ixpk= 1754, nxpk= 10, iat=1560,1583, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   49 LYS  HN          100 ILE  HN          5.00    (#   1755:10        Unique  4.29, 4.50 A)
 &rst
  ixpk= 1755, nxpk= 10, iat= 796,1583, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   48 TRP  HE1          99 ASP  HN          5.20    (#   1756:10        Unique  4.68, 4.77 A)
 &rst
  ixpk= 1756, nxpk= 10, iat= 782,1571, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#    0 AMB  10-2:1757   100 ILE  HN          6.00    (#   1757:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1757, nxpk= 10, iat=  -1,1583, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1904,1905,1906,1908,1909,1910,1335,1336,1337,1339,
      1340,1341,
 &end
#
#  100 ILE  HG1+        101 GLU  HN          4.00    (#   1758:10        Unique  1.82, 2.87 A)
 &rst
  ixpk= 1758, nxpk= 10, iat=  -1,1602, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1593,1594,
 &end
#
#    0 AMB  10-2:1759   101 GLU  HN          5.00    (#   1759:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1759, nxpk= 10, iat=  -1,1602, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1840,1841,1842,1844,1845,1846,1550,1551,1552,1554,
      1555,1556,
 &end
#
#    0 AMB  10-2:1760   101 GLU  HN          5.00    (#   1760:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1760, nxpk= 10, iat=  -1,1602, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1335,1336,1337,1339,1340,1341,1080,1081,1082,1084,
      1085,1086,
 &end
#
#   48 TRP  HA          100 ILE  HN          5.00    (#   1763:10        Unique  4.45, 4.50 A)
 &rst
  ixpk= 1763, nxpk= 10, iat= 774,1583, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   48 TRP  HD1         100 ILE  HN          5.00    (#   1764:10        Unique  5.20, 5.44 A)
 &rst
  ixpk= 1764, nxpk= 10, iat= 780,1583, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   49 LYS  HN          101 GLU  HN          4.00    (#   1765:10        Unique  3.65, 3.93 A)
 &rst
  ixpk= 1765, nxpk= 10, iat= 796,1602, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  100 ILE  HA          100 ILE  HN          3.50    (#   1766:10        Unique  2.91, 2.92 A)
 &rst
  ixpk= 1766, nxpk= 10, iat=1585,1583, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   46 GLY  HA+         101 GLU  HN          4.50    (#   1767:10        Unique  3.33, 3.73 A)
 &rst
  ixpk= 1767, nxpk= 10, iat=  -1,1602, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 745, 746,
 &end
#
#   49 LYS  HE+         101 GLU  HN          6.00    (#   1768:10        Unique  4.63, 6.45 A)
 &rst
  ixpk= 1768, nxpk= 10, iat=  -1,1602, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 809, 810,
 &end
#
#   46 GLY  HA+         102 ALA  HN          5.00    (#   1769:10        Unique  4.04, 4.55 A)
 &rst
  ixpk= 1769, nxpk= 10, iat=  -1,1617, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 745, 746,
 &end
#
#   46 GLY  HA-         102 ALA  HN          5.50    (#   1770:10        Unique  4.04, 4.55 A)
 &rst
  ixpk= 1770, nxpk= 10, iat=  -1,1617, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 745, 746,
 &end
#
#   47 LYS  HN          101 GLU  HN          4.00    (#   1771:10        Unique  2.23, 2.37 A)
 &rst
  ixpk= 1771, nxpk= 10, iat= 750,1602, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  103 ILE  HN          102 ALA  HN          5.00    (#   1772:10        Unique  4.18, 4.32 A)
 &rst
  ixpk= 1772, nxpk= 10, iat=1627,1617, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   44 PHE  HE          102 ALA  HN          5.00    (#   1773:10        Unique  3.50, 6.40 A)
 &rst
  ixpk= 1773, nxpk= 10, iat=  -1,1617, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 716, 720,
 &end
#
#   44 PHE  HE          103 ILE  HN          4.20    (#   1774:10        Unique  3.46, 6.15 A)
 &rst
  ixpk= 1774, nxpk= 10, iat=  -1,1627, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 716, 720,
 &end
#
#    0 AMB  10-2:1776   105 VAL  HN          5.00    (#   1776:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1776, nxpk= 10, iat=  -1,1658, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1676,1619,
 &end
#
#  109 THR  MG2         106 ASP  HN          4.00    (#   1777:10        Unique  3.69, 4.63 A)
 &rst
  ixpk= 1777, nxpk= 10, iat=  -1,1674, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1716,1717,1718,
 &end
#
#  105 VAL  MGX         111 GLU  HN          5.00    (#   1778:10        Unique  5.12, 7.00 A)
 &rst
  ixpk= 1778, nxpk= 10, iat=  -1,1741, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1664,1665,1666,1668,1669,1670,
 &end
#
#  114 ALA  MB          111 GLU  HN          5.00    (#   1779:10        Unique  4.67, 5.86 A)
 &rst
  ixpk= 1779, nxpk= 10, iat=  -1,1741, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1789,1790,1791,
 &end
#
#  112 ALA  HN          113 ILE  HN          3.50    (#   1780:10        Unique  2.87, 2.96 A)
 &rst
  ixpk= 1780, nxpk= 10, iat=1756,1766, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  115 ASP  HN          113 ILE  HN          5.00    (#   1781:10        Unique  4.09, 4.48 A)
 &rst
  ixpk= 1781, nxpk= 10, iat=1795,1766, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  117 LEU  HN          114 ALA  HN          5.00    (#   1782:10        Unique  4.61, 4.82 A)
 &rst
  ixpk= 1782, nxpk= 10, iat=1831,1785, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  117 LEU  HN          115 ASP  HN          5.00    (#   1783:10        Unique  3.98, 4.47 A)
 &rst
  ixpk= 1783, nxpk= 10, iat=1831,1795, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  112 ALA  HN          115 ASP  HN          5.00    (#   1784:10        Unique  4.56, 4.76 A)
 &rst
  ixpk= 1784, nxpk= 10, iat=1756,1795, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  113 ILE  HN          115 ASP  HN          5.00    (#   1785:10        Unique  4.09, 4.48 A)
 &rst
  ixpk= 1785, nxpk= 10, iat=1766,1795, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  110 GLN  HE2+        115 ASP  HN          5.80    (#   1786:10        Unique  4.52, 5.07 A)
 &rst
  ixpk= 1786, nxpk= 10, iat=  -1,1795, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1=1736,1737,
 &end
#
#    0 AMB  10-2:1787     0 AMB  10-1:1787   5.00    (#   1787:10        Double  0.00, 0.00  )
 &rst
  ixpk= 1787, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1120,1121,1731,1732,
 igr2=1314,1785,
 &end
#
#    0 AMB  10-2:1788     0 AMB  10-1:1788   6.00    (#   1788:10        Double  0.00, 0.00  )
 &rst
  ixpk= 1788, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1799,1800, 676, 677,
 igr2=1785,1314,
 &end
#
#  113 ILE  HB          115 ASP  HN          5.20    (#   1789:10        Unique  4.70, 5.04 A)
 &rst
  ixpk= 1789, nxpk= 10, iat=1770,1795, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#    0 AMB  10-2:1790   115 ASP  HN          6.00    (#   1790:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1790, nxpk= 10, iat=  -1,1795, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1840,1841,1842,1844,1845,1846,1550,1551,1552,1554,
      1555,1556,
 &end
#
#    0 AMB  10-2:1792   116 TRP  HN          5.00    (#   1792:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1792, nxpk= 10, iat=  -1,1807, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1789,1790,1791,1545,1546, 231, 232, 233,
 &end
#
#  116 TRP  HB-         115 ASP  HN          5.00    (#   1793:10        Unique  4.80, 5.35 A)
 &rst
  ixpk= 1793, nxpk= 10, iat=  -1,1795, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1811,1812,
 &end
#
#  114 ALA  HA          116 TRP  HN          5.00    (#   1794:10        Unique  4.06, 4.39 A)
 &rst
  ixpk= 1794, nxpk= 10, iat=1787,1807, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  110 GLN  HE2-        115 ASP  HN          5.20    (#   1796:10        Unique  4.52, 5.07 A)
 &rst
  ixpk= 1796, nxpk= 10, iat=  -1,1795, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1=1736,1737,
 &end
#
#  110 GLN  HE2-        116 TRP  HN          7.00    (#   1797:10        Unique  6.64, 7.00 A)
 &rst
  ixpk= 1797, nxpk= 10, iat=  -1,1807, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1736,1737,
 &end
#
#  116 TRP  HD1         117 LEU  HN          4.50    (#   1798:10        Unique  2.46, 3.30 A)
 &rst
  ixpk= 1798, nxpk= 10, iat=1815,1831, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  116 TRP  HA          117 LEU  HN          4.00    (#   1799:10        Unique  3.51, 3.56 A)
 &rst
  ixpk= 1799, nxpk= 10, iat=1809,1831, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:1802   117 LEU  HN          5.50    (#   1802:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1802, nxpk= 10, iat=  -1,1831, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
      1909,1910,
 &end
#
#  120 LEU  HN          117 LEU  HN          5.50    (#   1805:10        Unique  4.68, 4.84 A)
 &rst
  ixpk= 1805, nxpk= 10, iat=1895,1831, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  118 TYR  HE          117 LEU  HN          6.00    (#   1806:10        Unique  5.54, 6.21 A)
 &rst
  ixpk= 1806, nxpk= 10, iat=  -1,1831, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1860,1865,
 &end
#
#  110 GLN  HE2+        117 LEU  HN          7.00    (#   1807:10        Unique  6.61, 7.12 A)
 &rst
  ixpk= 1807, nxpk= 10, iat=  -1,1831, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1736,1737,
 &end
#
#  115 ASP  HN          117 LEU  HN          5.00    (#   1808:10        Unique  3.98, 4.47 A)
 &rst
  ixpk= 1808, nxpk= 10, iat=1795,1831, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  124 TYR  HE          119 TRP  HN          7.50    (#   1809:10        Unique  6.86, 9.98 A)
 &rst
  ixpk= 1809, nxpk= 10, iat=  -1,1871, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
 igr1=1965,1970,
 &end
#
#  119 TRP  HD1           0 AMB  10-1:1811   4.50    (#   1811:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1811, nxpk= 10, iat=1879,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1871,1850,
 &end
#
#  119 TRP  HB+         119 TRP  HN          3.00    (#   1812:10        Unique  2.08, 2.62 A)
 &rst
  ixpk= 1812, nxpk= 10, iat=  -1,1871, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1875,1876,
 &end
#
#    0 AMB  10-2:1813     0 AMB  10-1:1813   3.00    (#   1813:10        Double  0.00, 0.00  )
 &rst
  ixpk= 1813, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1854,1855,1875,1876,
 igr2=1871,1850,
 &end
#
#  116 TRP  HA          120 LEU  HN          4.50    (#   1814:10        Unique  3.81, 4.06 A)
 &rst
  ixpk= 1814, nxpk= 10, iat=1809,1895, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:1815   120 LEU  HN          5.00    (#   1815:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1815, nxpk= 10, iat=  -1,1895, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1852,1957,
 &end
#
#  122 ARG  HG-         121 ALA  HN          7.50    (#   1816:10        Unique  6.31, 7.14 A)
 &rst
  ixpk= 1816, nxpk= 10, iat=  -1,1914, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
 igr1=1931,1932,
 &end
#
#  121 ALA  HN          123 GLY  HN          5.00    (#   1818:10        Unique  3.92, 4.28 A)
 &rst
  ixpk= 1818, nxpk= 10, iat=1914,1948, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  124 TYR  HE          122 ARG  HN          6.30    (#   1819:10        Unique  6.70, 8.93 A)
 &rst
  ixpk= 1819, nxpk= 10, iat=  -1,1924, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1965,1970,
 &end
#
#  122 ARG  HE          122 ARG  HN          5.40    (#   1820:10        Unique  4.51, 5.76 A)
 &rst
  ixpk= 1820, nxpk= 10, iat=1937,1924, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  118 TYR  HA          122 ARG  HN          4.50    (#   1821:10        Unique  3.46, 4.00 A)
 &rst
  ixpk= 1821, nxpk= 10, iat=1852,1924, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  122 ARG  HD+         124 TYR  HN          7.00    (#   1824:10        Unique  5.94, 7.84 A)
 &rst
  ixpk= 1824, nxpk= 10, iat=  -1,1955, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1934,1935,
 &end
#
#    0 AMB  10-2:1825   124 TYR  HN          6.00    (#   1825:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1825, nxpk= 10, iat=  -1,1955, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1980,1981,1986,1987,
 &end
#
#  126 PHE  HD          125 LYS  HN          5.00    (#   1829:10        Unique  2.83, 6.23 A)
 &rst
  ixpk= 1829, nxpk= 10, iat=  -1,1976, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=2006,2014,
 &end
#
#  124 TYR  HB+         126 PHE  HN          4.20    (#   1830:10        Unique  2.54, 3.69 A)
 &rst
  ixpk= 1830, nxpk= 10, iat=  -1,1998, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1=1959,1960,
 &end
#
#   25 LYS  HA           25 LYS  HN          3.50    (#   1831:10        Unique  2.73, 2.76 A)
 &rst
  ixpk= 1831, nxpk= 10, iat= 386, 384, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   40 LEU  HB-          41 GLU  HN          4.00    (#   1832:10        Unique  2.56, 3.49 A)
 &rst
  ixpk= 1832, nxpk= 10, iat=  -1, 657, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 642, 643,
 &end
#
#  118 TYR  HB+         117 LEU  HN          7.00    (#   1833:10        Unique  4.96, 5.88 A)
 &rst
  ixpk= 1833, nxpk= 10, iat=  -1,1831, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1854,1855,
 &end
#
#  103 ILE  HG1+        103 ILE  HN          4.00    (#   1834:10        Unique  2.71, 4.08 A)
 &rst
  ixpk= 1834, nxpk= 10, iat=  -1,1627, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1637,1638,
 &end
#
#   11 GLU  HB-          12 HIS  HN          4.50    (#   1835:10        Unique  1.96, 2.58 A)
 &rst
  ixpk= 1835, nxpk= 10, iat=  -1, 177, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 166, 167,
 &end
#
#   70 PRO  HD-          71 ASP  HN          6.00    (#   1836:10        Unique  5.42, 5.57 A)
 &rst
  ixpk= 1836, nxpk= 10, iat=  -1,1157, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1144,1145,
 &end
#
#  100 ILE  QD1          47 LYS  HN          5.00    (#   1837:10        Unique  2.72, 5.07 A)
 &rst
  ixpk= 1837, nxpk= 10, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1596,1597,1598,
 &end
#
#  103 ILE  QD1          47 LYS  HN          3.00    (#   1838:10        Unique  1.99, 2.70 A)
 &rst
  ixpk= 1838, nxpk= 10, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1640,1641,1642,
 &end
#
#   37 ASP  HB+          36 LEU  HN          6.00    (#   1856:10        Unique  4.56, 5.28 A)
 &rst
  ixpk= 1856, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 604, 605,
 &end
#
#   51 LYS  HA           59 GLU  HN          4.00    (#   1857:10        Unique  2.87, 3.41 A)
 &rst
  ixpk= 1857, nxpk= 10, iat= 842, 977, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   15 GLU  HG-          15 GLU  HN          5.50    (#   1858:10        Unique  3.81, 4.17 A)
 &rst
  ixpk= 1858, nxpk= 10, iat=  -1, 237, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 244, 245,
 &end
#
#   63 VAL  MGX          46 GLY  HN          6.00    (#   1859:10        Unique  2.41, 4.91 A)
 &rst
  ixpk= 1859, nxpk= 10, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1049,1050,1051,1053,1054,1055,
 &end
#
#   95 ALA  HA           94 THR  HN          6.50    (#   1860:10        Unique  5.35, 5.49 A)
 &rst
  ixpk= 1860, nxpk= 10, iat=1511,1495, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#    8 GLU  HN           10 ARG  HN          4.90    (#   1861:10        Unique  3.54, 3.77 A)
 &rst
  ixpk= 1861, nxpk= 10, iat= 109, 138, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   34 TYR  HA           37 ASP  HN          4.00    (#   1862:10        Unique  3.85, 4.05 A)
 &rst
  ixpk= 1862, nxpk= 10, iat= 541, 600, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
# N angles for residue 9
 &rst   iat= 124, 123, 121, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 124, 123, 125, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 10
 &rst   iat= 138, 137, 135, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 138, 137, 139, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 11
 &rst   iat= 162, 161, 159, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 162, 161, 163, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 12
 &rst   iat= 177, 176, 174, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 177, 176, 178, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 13
 &rst   iat= 194, 193, 191, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 194, 193, 195, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 14
 &rst   iat= 218, 217, 215, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 218, 217, 219, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 15
 &rst   iat= 237, 236, 234, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 237, 236, 238, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 16
 &rst   iat= 252, 251, 249, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 252, 251, 253, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 17
 &rst   iat= 266, 265, 263, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 266, 265, 267, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 26
 &rst   iat= 406, 405, 403, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 406, 405, 407, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 27
 &rst   iat= 421, 420, 418, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 421, 420, 422, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 28
 &rst   iat= 436, 435, 433, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 436, 435, 437, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 29
 &rst   iat= 460, 459, 457, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 460, 459, 461, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 30
 &rst   iat= 470, 469, 467, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 470, 469, 471, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 31
 &rst   iat= 487, 486, 484, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 487, 486, 488, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 32
 &rst   iat= 494, 493, 491, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 494, 493, 495, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 33
 &rst   iat= 518, 517, 515, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 518, 517, 519, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 34
 &rst   iat= 539, 538, 536, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 539, 538, 540, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 36
 &rst   iat= 581, 580, 578, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 581, 580, 582, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 37
 &rst   iat= 600, 599, 597, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 600, 599, 601, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 38
 &rst   iat= 612, 611, 609, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 612, 611, 613, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 39
 &rst   iat= 624, 623, 621, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 624, 623, 625, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 40
 &rst   iat= 638, 637, 635, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 638, 637, 639, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 44
 &rst   iat= 706, 705, 703, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 706, 705, 707, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 45
 &rst   iat= 726, 725, 723, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 726, 725, 727, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 46
 &rst   iat= 743, 742, 740, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 743, 742, 744, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 47
 &rst   iat= 750, 749, 747, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 750, 749, 751, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 49
 &rst   iat= 796, 795, 793, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 796, 795, 797, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 50
 &rst   iat= 818, 817, 815, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 818, 817, 819, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 51
 &rst   iat= 840, 839, 837, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 840, 839, 841, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 58
 &rst   iat= 958, 957, 955, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 958, 957, 959, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 59
 &rst   iat= 977, 976, 974, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 977, 976, 978, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 61
 &rst   iat= 1007, 1006, 1004, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1007, 1006, 1008, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 63
 &rst   iat= 1043, 1042, 1040, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1043, 1042, 1044, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 66
 &rst   iat= 1090, 1089, 1087, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1090, 1089, 1091, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 67
 &rst   iat= 1109, 1108, 1106, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1109, 1108, 1110, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 79
 &rst   iat= 1277, 1276, 1274, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1277, 1276, 1278, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 80
 &rst   iat= 1298, 1297, 1295, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1298, 1297, 1299, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 82
 &rst   iat= 1329, 1328, 1326, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1329, 1328, 1330, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 92
 &rst   iat= 1458, 1457, 1455, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1458, 1457, 1459, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 93
 &rst   iat= 1474, 1473, 1471, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1474, 1473, 1475, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 94
 &rst   iat= 1495, 1494, 1492, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1495, 1494, 1496, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 95
 &rst   iat= 1509, 1508, 1506, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1509, 1508, 1510, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 96
 &rst   iat= 1519, 1518, 1516, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1519, 1518, 1520, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 98
 &rst   iat= 1560, 1559, 1557, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1560, 1559, 1561, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 99
 &rst   iat= 1571, 1570, 1568, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1571, 1570, 1572, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 100
 &rst   iat= 1583, 1582, 1580, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1583, 1582, 1584, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 101
 &rst   iat= 1602, 1601, 1599, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1602, 1601, 1603, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 102
 &rst   iat= 1617, 1616, 1614, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1617, 1616, 1618, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 103
 &rst   iat= 1627, 1626, 1624, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1627, 1626, 1628, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 104
 &rst   iat= 1646, 1645, 1643, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1646, 1645, 1647, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 105
 &rst   iat= 1658, 1657, 1655, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1658, 1657, 1659, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 109
 &rst   iat= 1710, 1709, 1707, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1710, 1709, 1711, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 112
 &rst   iat= 1756, 1755, 1753, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1756, 1755, 1757, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 113
 &rst   iat= 1766, 1765, 1763, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1766, 1765, 1767, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 114
 &rst   iat= 1785, 1784, 1782, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1785, 1784, 1786, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 115
 &rst   iat= 1795, 1794, 1792, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1795, 1794, 1796, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 116
 &rst   iat= 1807, 1806, 1804, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1807, 1806, 1808, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 117
 &rst   iat= 1831, 1830, 1828, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1831, 1830, 1832, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 120
 &rst   iat= 1895, 1894, 1892, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1895, 1894, 1896, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 121
 &rst   iat= 1914, 1913, 1911, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1914, 1913, 1915, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end
# N angles for residue 123
 &rst   iat= 1948, 1947, 1945, 0,  
 r1=110., r2=120., r3=120., r4=130., &end
 &rst   iat= 1948, 1947, 1949, 0,  
 r1=108., r2=118.04, r3=118.04, r4=128., &end




  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           H1       MET   1   8.867  -1.117  -5.825
    2    H2   MET   1           H2       MET   1   7.602  -1.354  -4.819
    3    H3   MET   1           H3       MET   1   7.397  -1.471  -6.444
    4    HA   MET   1           HA       MET   1   7.876   0.844  -6.755
    5    HB2  MET   1           HB2      MET   1   5.681   0.361  -4.707
    6    HB3  MET   1           HB3      MET   1   5.946   1.870  -5.585
    7    HG2  MET   1           HG2      MET   1   5.659   0.671  -7.736
    8    HG3  MET   1           HG3      MET   1   5.200  -0.781  -6.840
    9    HE1  MET   1           HE1      MET   1   1.771   0.211  -5.231
   10    HE2  MET   1           HE2      MET   1   2.978  -1.069  -5.473
   11    HE3  MET   1           HE3      MET   1   3.350   0.327  -4.432
   12    H    ALA   2           H        ALA   2   6.942   1.536  -3.427
   13    HA   ALA   2           HA       ALA   2   9.611   1.797  -2.388
   14    HB1  ALA   2           HB1      ALA   2   9.511   3.893  -3.775
   15    HB2  ALA   2           HB2      ALA   2   8.019   4.367  -2.923
   16    HB3  ALA   2           HB3      ALA   2   9.550   4.240  -2.040
   17    H    SER   3           H        SER   3   9.451   1.933  -0.125
   18    HA   SER   3           HA       SER   3   6.947   1.216   1.054
   19    HB2  SER   3           HB2      SER   3   9.580   1.920   2.415
   20    HB3  SER   3           HB3      SER   3   8.288   0.881   3.043
   21    HG   SER   3           HG       SER   3  10.032  -0.323   2.166
   22    H    VAL   4           H        VAL   4   7.194   4.005  -0.049
   23    HA   VAL   4           HA       VAL   4   7.407   5.853   2.112
   24    HB   VAL   4           HB       VAL   4   8.083   6.064  -0.351
   25   HG11  VAL   4          HG11      VAL   4   5.236   6.955  -0.823
   26   HG12  VAL   4          HG12      VAL   4   6.610   7.084  -1.929
   27   HG13  VAL   4          HG13      VAL   4   6.021   5.492  -1.455
   28   HG21  VAL   4          HG21      VAL   4   8.433   7.851   1.171
   29   HG22  VAL   4          HG22      VAL   4   7.787   8.529  -0.331
   30   HG23  VAL   4          HG23      VAL   4   6.740   8.350   1.102
   31    H    GLU   5           H        GLU   5   5.328   3.968   2.655
   32    HA   GLU   5           HA       GLU   5   2.661   5.079   2.277
   33    HB2  GLU   5           HB2      GLU   5   3.781   2.821   3.993
   34    HB3  GLU   5           HB3      GLU   5   2.062   3.232   3.883
   35    HG2  GLU   5           HG2      GLU   5   2.037   2.727   1.500
   36    HG3  GLU   5           HG3      GLU   5   3.773   2.382   1.515
   37    H    ARG   6           H        ARG   6   3.499   7.267   3.121
   38    HA   ARG   6           HA       ARG   6   4.206   7.678   5.766
   39    HB2  ARG   6           HB2      ARG   6   4.049   9.906   5.371
   40    HB3  ARG   6           HB3      ARG   6   4.209   9.284   3.746
   41    HG2  ARG   6           HG2      ARG   6   1.728  10.409   5.080
   42    HG3  ARG   6           HG3      ARG   6   2.689  11.137   3.813
   43    HD2  ARG   6           HD2      ARG   6   0.757   8.841   3.584
   44    HD3  ARG   6           HD3      ARG   6   0.663  10.406   2.842
   45    HE   ARG   6           HE       ARG   6   2.808   9.652   1.575
   46   HH11  ARG   6          HH21      ARG   6   0.098   7.405   2.452
   47   HH12  ARG   6          HH22      ARG   6   0.438   6.394   1.073
   48   HH21  ARG   6          HH11      ARG   6   3.083   8.162  -0.222
   49   HH22  ARG   6          HH12      ARG   6   1.932   6.866  -0.427
   50    H    ASP   7           H        ASP   7   1.015   7.137   4.530
   51    HA   ASP   7           HA       ASP   7  -0.274   6.397   6.887
   52    HB2  ASP   7           HB2      ASP   7  -0.242   8.866   7.436
   53    HB3  ASP   7           HB3      ASP   7  -1.028   9.195   5.891
   54    H    GLU   8           H        GLU   8  -2.430   5.601   6.192
   55    HA   GLU   8           HA       GLU   8  -2.437   4.766   3.460
   56    HB2  GLU   8           HB2      GLU   8  -4.548   4.550   5.647
   57    HB3  GLU   8           HB3      GLU   8  -4.635   3.735   4.079
   58    HG2  GLU   8           HG2      GLU   8  -2.495   2.560   4.572
   59    HG3  GLU   8           HG3      GLU   8  -2.456   3.310   6.169
   60    H    THR   9           H        THR   9  -3.648   7.676   4.896
   61    HA   THR   9           HA       THR   9  -5.975   8.284   3.524
   62    HB   THR   9           HB       THR   9  -3.566   9.935   4.321
   63    HG1  THR   9           HG1      THR   9  -4.509   9.135   6.019
   64   HG21  THR   9          HG21      THR   9  -5.074  11.936   4.305
   65   HG22  THR   9          HG22      THR   9  -4.600  11.345   2.714
   66   HG23  THR   9          HG23      THR   9  -6.237  10.990   3.336
   67    H    ARG  10           H        ARG  10  -2.610   8.566   2.210
   68    HA   ARG  10           HA       ARG  10  -3.703   9.855  -0.191
   69    HB2  ARG  10           HB2      ARG  10  -0.873   8.887   0.310
   70    HB3  ARG  10           HB3      ARG  10  -1.437   9.798  -1.094
   71    HG2  ARG  10           HG2      ARG  10  -2.276  11.588   0.527
   72    HG3  ARG  10           HG3      ARG  10  -1.396  10.740   1.803
   73    HD2  ARG  10           HD2      ARG  10   0.708  10.984   0.453
   74    HD3  ARG  10           HD3      ARG  10  -0.183  11.902  -0.751
   75    HE   ARG  10           HE       ARG  10   0.789  12.805   1.824
   76   HH11  ARG  10          HH11      ARG  10  -1.721  13.494  -0.654
   77   HH12  ARG  10          HH12      ARG  10  -2.042  15.084   0.021
   78   HH21  ARG  10          HH21      ARG  10   0.341  14.934   2.579
   79   HH22  ARG  10          HH22      ARG  10  -0.870  15.906   1.804
   80    H    GLU  11           H        GLU  11  -2.657   6.549   0.664
   81    HA   GLU  11           HA       GLU  11  -2.819   5.440  -1.951
   82    HB2  GLU  11           HB2      GLU  11  -3.669   4.025   0.608
   83    HB3  GLU  11           HB3      GLU  11  -3.047   3.308  -0.870
   84    HG2  GLU  11           HG2      GLU  11  -1.535   4.928   1.211
   85    HG3  GLU  11           HG3      GLU  11  -1.351   3.218   0.846
   86    H    HIS  12           H        HIS  12  -5.268   5.945   0.625
   87    HA   HIS  12           HA       HIS  12  -7.470   4.829  -0.758
   88    HB2  HIS  12           HB2      HIS  12  -7.160   5.552   1.727
   89    HB3  HIS  12           HB3      HIS  12  -7.678   7.146   1.201
   90    HD1  HIS  12           HD1      HIS  12 -10.245   6.421  -0.578
   91    HD2  HIS  12           HD2      HIS  12  -9.086   4.515   3.005
   92    HE1  HIS  12           HE1      HIS  12 -12.332   5.374   0.380
   93    H    ARG  13           H        ARG  13  -6.353   8.290  -0.556
   94    HA   ARG  13           HA       ARG  13  -8.368   9.355  -2.245
   95    HB2  ARG  13           HB2      ARG  13  -5.553  10.237  -1.563
   96    HB3  ARG  13           HB3      ARG  13  -6.561  11.156  -2.689
   97    HG2  ARG  13           HG2      ARG  13  -8.239  11.599  -1.052
   98    HG3  ARG  13           HG3      ARG  13  -7.603  10.380   0.058
   99    HD2  ARG  13           HD2      ARG  13  -7.041  12.589   0.851
  100    HD3  ARG  13           HD3      ARG  13  -5.585  11.669   0.423
  101    HE   ARG  13           HE       ARG  13  -6.370  13.250  -1.815
  102   HH11  ARG  13          HH11      ARG  13  -5.061  13.732   1.475
  103   HH12  ARG  13          HH12      ARG  13  -4.137  15.140   0.998
  104   HH21  ARG  13          HH21      ARG  13  -5.143  15.198  -2.332
  105   HH22  ARG  13          HH22      ARG  13  -4.190  15.931  -1.054
  106    H    ILE  14           H        ILE  14  -5.105   8.098  -3.105
  107    HA   ILE  14           HA       ILE  14  -5.198   8.664  -5.850
  108    HB   ILE  14           HB       ILE  14  -3.815   6.536  -4.200
  109   HG12  ILE  14          HG12      ILE  14  -2.630   8.868  -5.767
  110   HG13  ILE  14          HG13      ILE  14  -3.203   9.056  -4.120
  111   HG21  ILE  14          HG21      ILE  14  -2.396   5.966  -6.131
  112   HG22  ILE  14          HG22      ILE  14  -4.068   5.532  -6.428
  113   HG23  ILE  14          HG23      ILE  14  -3.391   6.998  -7.183
  114   HD11  ILE  14          HD11      ILE  14  -0.925   7.262  -5.032
  115   HD12  ILE  14          HD12      ILE  14  -0.832   8.725  -4.043
  116   HD13  ILE  14          HD13      ILE  14  -1.596   7.271  -3.376
  117    H    GLU  15           H        GLU  15  -6.106   5.582  -4.200
  118    HA   GLU  15           HA       GLU  15  -6.982   4.393  -6.612
  119    HB2  GLU  15           HB2      GLU  15  -6.178   3.137  -4.694
  120    HB3  GLU  15           HB3      GLU  15  -7.465   3.768  -3.657
  121    HG2  GLU  15           HG2      GLU  15  -9.156   2.553  -4.874
  122    HG3  GLU  15           HG3      GLU  15  -7.986   2.035  -6.099
  123    H    THR  16           H        THR  16  -8.844   6.168  -4.119
  124    HA   THR  16           HA       THR  16 -11.354   5.408  -5.489
  125    HB   THR  16           HB       THR  16 -12.478   5.981  -3.432
  126    HG1  THR  16           HG1      THR  16  -9.881   6.708  -2.549
  127   HG21  THR  16          HG21      THR  16 -11.632   4.215  -2.020
  128   HG22  THR  16          HG22      THR  16 -11.495   3.705  -3.709
  129   HG23  THR  16          HG23      THR  16 -10.049   4.240  -2.825
  130    H    GLU  17           H        GLU  17  -9.361   8.061  -5.688
  131    HA   GLU  17           HA       GLU  17 -11.642   9.676  -6.690
  132    HB2  GLU  17           HB2      GLU  17 -11.148  10.361  -4.360
  133    HB3  GLU  17           HB3      GLU  17  -9.502  10.794  -4.835
  134    HG2  GLU  17           HG2      GLU  17 -10.314  12.531  -6.323
  135    HG3  GLU  17           HG3      GLU  17 -11.984  11.992  -6.120
  136    H    ILE  18           H        ILE  18  -8.009   9.417  -6.612
  137    HA   ILE  18           HA       ILE  18  -7.850  11.301  -8.805
  138    HB   ILE  18           HB       ILE  18  -5.656   9.490  -7.748
  139   HG12  ILE  18          HG12      ILE  18  -6.533  12.292  -6.880
  140   HG13  ILE  18          HG13      ILE  18  -6.611  10.841  -5.903
  141   HG21  ILE  18          HG21      ILE  18  -5.195  10.546  -9.970
  142   HG22  ILE  18          HG22      ILE  18  -5.487  12.137  -9.243
  143   HG23  ILE  18          HG23      ILE  18  -4.132  11.123  -8.701
  144   HD11  ILE  18          HD11      ILE  18  -4.761  12.086  -5.117
  145   HD12  ILE  18          HD12      ILE  18  -4.100  10.689  -5.988
  146   HD13  ILE  18          HD13      ILE  18  -4.095  12.297  -6.742
  147    H    ILE  19           H        ILE  19  -7.314   7.715  -8.609
  148    HA   ILE  19           HA       ILE  19  -7.561   7.601 -11.586
  149    HB   ILE  19           HB       ILE  19  -6.083   5.661 -11.459
  150   HG12  ILE  19          HG12      ILE  19  -5.361   6.649  -8.674
  151   HG13  ILE  19          HG13      ILE  19  -6.509   5.315  -8.935
  152   HG21  ILE  19          HG21      ILE  19  -4.835   8.250 -10.448
  153   HG22  ILE  19          HG22      ILE  19  -4.054   6.981 -11.406
  154   HG23  ILE  19          HG23      ILE  19  -5.340   7.950 -12.125
  155   HD11  ILE  19          HD11      ILE  19  -4.409   4.364  -8.530
  156   HD12  ILE  19          HD12      ILE  19  -4.737   4.178 -10.277
  157   HD13  ILE  19          HD13      ILE  19  -3.599   5.441  -9.718
  158    H    VAL  20           H        VAL  20  -9.557   7.132  -9.136
  159    HA   VAL  20           HA       VAL  20 -10.446   4.517  -9.211
  160    HB   VAL  20           HB       VAL  20 -11.140   6.341  -7.713
  161   HG11  VAL  20          HG11      VAL  20 -11.642   8.132  -9.341
  162   HG12  VAL  20          HG12      VAL  20 -13.092   7.238  -9.854
  163   HG13  VAL  20          HG13      VAL  20 -12.961   7.850  -8.199
  164   HG21  VAL  20          HG21      VAL  20 -13.408   5.567  -7.294
  165   HG22  VAL  20          HG22      VAL  20 -13.499   4.861  -8.920
  166   HG23  VAL  20          HG23      VAL  20 -12.357   4.207  -7.725
  167    H    ASP  21           H        ASP  21 -11.080   7.055 -11.634
  168    HA   ASP  21           HA       ASP  21 -13.037   5.455 -13.090
  169    HB2  ASP  21           HB2      ASP  21 -13.136   7.927 -12.907
  170    HB3  ASP  21           HB3      ASP  21 -11.609   8.051 -13.784
  171    H    ALA  22           H        ALA  22  -9.629   5.381 -12.943
  172    HA   ALA  22           HA       ALA  22  -9.125   5.128 -15.802
  173    HB1  ALA  22           HB1      ALA  22  -7.239   4.668 -13.454
  174    HB2  ALA  22           HB2      ALA  22  -6.802   4.908 -15.150
  175    HB3  ALA  22           HB3      ALA  22  -7.519   6.246 -14.240
  176    H    GLU  23           H        GLU  23  -7.589   3.243 -16.420
  177    HA   GLU  23           HA       GLU  23  -8.200   0.659 -15.185
  178    HB2  GLU  23           HB2      GLU  23 -10.111   1.039 -16.736
  179    HB3  GLU  23           HB3      GLU  23  -8.982   1.256 -18.078
  180    HG2  GLU  23           HG2      GLU  23  -8.183  -1.069 -17.802
  181    HG3  GLU  23           HG3      GLU  23  -9.215  -1.273 -16.384
  182    H    ASP  24           H        ASP  24  -6.671   2.470 -17.925
  183    HA   ASP  24           HA       ASP  24  -4.243   0.765 -17.655
  184    HB2  ASP  24           HB2      ASP  24  -5.757   0.218 -19.651
  185    HB3  ASP  24           HB3      ASP  24  -5.340   1.833 -20.254
  186    H    LYS  25           H        LYS  25  -2.435   1.889 -18.908
  187    HA   LYS  25           HA       LYS  25  -1.660   3.980 -17.304
  188    HB2  LYS  25           HB2      LYS  25   0.275   4.269 -18.764
  189    HB3  LYS  25           HB3      LYS  25  -0.102   2.579 -18.436
  190    HG2  LYS  25           HG2      LYS  25  -1.192   2.449 -20.727
  191    HG3  LYS  25           HG3      LYS  25  -0.694   4.121 -21.007
  192    HD2  LYS  25           HD2      LYS  25   0.866   2.650 -22.091
  193    HD3  LYS  25           HD3      LYS  25   1.684   3.463 -20.748
  194    HE2  LYS  25           HE2      LYS  25   1.394   1.439 -19.340
  195    HE3  LYS  25           HE3      LYS  25   0.516   0.640 -20.650
  196    HZ1  LYS  25           HZ1      LYS  25   2.545   0.741 -21.981
  197    HZ2  LYS  25           HZ2      LYS  25   3.356   1.485 -20.771
  198    HZ3  LYS  25           HZ3      LYS  25   2.830  -0.044 -20.583
  199    H    GLU  26           H        GLU  26  -3.189   4.402 -20.503
  200    HA   GLU  26           HA       GLU  26  -2.636   7.241 -20.635
  201    HB2  GLU  26           HB2      GLU  26  -4.716   5.482 -22.012
  202    HB3  GLU  26           HB3      GLU  26  -4.490   7.201 -22.358
  203    HG2  GLU  26           HG2      GLU  26  -2.126   6.771 -22.994
  204    HG3  GLU  26           HG3      GLU  26  -2.357   5.047 -22.694
  205    H    GLU  27           H        GLU  27  -5.325   5.251 -19.350
  206    HA   GLU  27           HA       GLU  27  -7.016   7.536 -18.767
  207    HB2  GLU  27           HB2      GLU  27  -7.164   4.717 -17.641
  208    HB3  GLU  27           HB3      GLU  27  -8.441   5.932 -17.680
  209    HG2  GLU  27           HG2      GLU  27  -7.248   4.447 -20.049
  210    HG3  GLU  27           HG3      GLU  27  -8.849   4.234 -19.361
  211    H    ARG  28           H        ARG  28  -4.515   5.668 -17.026
  212    HA   ARG  28           HA       ARG  28  -5.094   6.793 -14.414
  213    HB2  ARG  28           HB2      ARG  28  -2.582   5.571 -15.613
  214    HB3  ARG  28           HB3      ARG  28  -2.754   5.990 -13.901
  215    HG2  ARG  28           HG2      ARG  28  -4.500   4.329 -13.591
  216    HG3  ARG  28           HG3      ARG  28  -4.592   4.027 -15.324
  217    HD2  ARG  28           HD2      ARG  28  -2.075   3.348 -15.136
  218    HD3  ARG  28           HD3      ARG  28  -2.409   3.211 -13.401
  219    HE   ARG  28           HE       ARG  28  -4.442   1.832 -14.811
  220   HH11  ARG  28          HH21      ARG  28  -0.954   1.463 -14.134
  221   HH12  ARG  28          HH22      ARG  28  -0.950  -0.228 -14.485
  222   HH21  ARG  28          HH11      ARG  28  -4.400  -0.382 -15.346
  223   HH22  ARG  28          HH12      ARG  28  -2.956  -1.311 -15.119
  224    H    ALA  29           H        ALA  29  -2.851   7.687 -17.099
  225    HA   ALA  29           HA       ALA  29  -1.778   9.983 -15.850
  226    HB1  ALA  29           HB1      ALA  29  -1.092  10.617 -18.087
  227    HB2  ALA  29           HB2      ALA  29  -0.889   8.872 -17.911
  228    HB3  ALA  29           HB3      ALA  29  -2.276   9.513 -18.820
  229    H    MET  30           H        MET  30  -4.739   9.598 -17.909
  230    HA   MET  30           HA       MET  30  -5.473  12.351 -17.704
  231    HB2  MET  30           HB2      MET  30  -7.121   9.884 -18.276
  232    HB3  MET  30           HB3      MET  30  -7.769  11.524 -18.302
  233    HG2  MET  30           HG2      MET  30  -5.482  10.532 -20.047
  234    HG3  MET  30           HG3      MET  30  -7.154  10.718 -20.536
  235    HE1  MET  30           HE1      MET  30  -4.210  13.337 -18.928
  236    HE2  MET  30           HE2      MET  30  -3.753  12.159 -20.167
  237    HE3  MET  30           HE3      MET  30  -3.899  13.883 -20.573
  238    H    GLY  31           H        GLY  31  -6.243   9.602 -15.515
  239    HA2  GLY  31           HA2      GLY  31  -8.064  10.950 -13.852
  240    HA3  GLY  31           HA3      GLY  31  -6.957   9.657 -13.348
  241    H    TRP  32           H        TRP  32  -4.467  10.697 -13.510
  242    HA   TRP  32           HA       TRP  32  -4.223  12.500 -11.323
  243    HB2  TRP  32           HB2      TRP  32  -2.345  11.537 -13.499
  244    HB3  TRP  32           HB3      TRP  32  -1.862  12.806 -12.387
  245    HD1  TRP  32           HD1      TRP  32  -2.125   9.088 -12.563
  246    HE1  TRP  32           HE1      TRP  32  -1.183   8.068 -10.424
  247    HE3  TRP  32           HE3      TRP  32  -2.000  13.315  -9.703
  248    HZ2  TRP  32           HZ2      TRP  32  -0.733   8.960  -7.662
  249    HZ3  TRP  32           HZ3      TRP  32  -1.308  13.208  -7.320
  250    HH2  TRP  32           HH2      TRP  32  -0.659  11.034  -6.306
  251    H    TYR  33           H        TYR  33  -4.080  13.104 -14.885
  252    HA   TYR  33           HA       TYR  33  -3.380  15.815 -14.714
  253    HB2  TYR  33           HB2      TYR  33  -3.189  14.637 -16.787
  254    HB3  TYR  33           HB3      TYR  33  -4.875  14.168 -16.751
  255    HD1  TYR  33           HD1      TYR  33  -3.022  17.470 -16.598
  256    HD2  TYR  33           HD2      TYR  33  -6.158  15.123 -18.380
  257    HE1  TYR  33           HE1      TYR  33  -3.663  19.406 -17.997
  258    HE2  TYR  33           HE2      TYR  33  -6.890  17.074 -19.690
  259    HH   TYR  33           HH       TYR  33  -6.466  19.308 -20.251
  260    H    TYR  34           H        TYR  34  -6.700  14.316 -14.825
  261    HA   TYR  34           HA       TYR  34  -8.031  16.845 -14.911
  262    HB2  TYR  34           HB2      TYR  34  -9.005  14.133 -13.946
  263    HB3  TYR  34           HB3      TYR  34 -10.023  15.517 -14.306
  264    HD1  TYR  34           HD2      TYR  34  -7.997  15.977 -17.010
  265    HD2  TYR  34           HD1      TYR  34 -10.581  12.905 -15.394
  266    HE1  TYR  34           HE2      TYR  34  -8.444  15.148 -19.283
  267    HE2  TYR  34           HE1      TYR  34 -10.995  12.051 -17.679
  268    HH   TYR  34           HH       TYR  34  -9.537  13.565 -20.595
  269    H    TYR  35           H        TYR  35  -7.101  14.658 -12.178
  270    HA   TYR  35           HA       TYR  35  -8.455  16.122 -10.149
  271    HB2  TYR  35           HB2      TYR  35  -7.601  13.856  -9.835
  272    HB3  TYR  35           HB3      TYR  35  -5.951  14.400 -10.106
  273    HD1  TYR  35           HD2      TYR  35  -8.857  15.279  -7.835
  274    HD2  TYR  35           HD1      TYR  35  -4.622  14.549  -8.189
  275    HE1  TYR  35           HE2      TYR  35  -8.602  15.591  -5.402
  276    HE2  TYR  35           HE1      TYR  35  -4.349  14.894  -5.761
  277    HH   TYR  35           HH       TYR  35  -7.137  15.632  -3.606
  278    H    LEU  36           H        LEU  36  -5.086  16.398 -11.421
  279    HA   LEU  36           HA       LEU  36  -4.319  18.487  -9.601
  280    HB2  LEU  36           HB2      LEU  36  -3.201  17.234 -12.109
  281    HB3  LEU  36           HB3      LEU  36  -2.560  18.774 -11.585
  282    HG   LEU  36           HG       LEU  36  -1.653  17.974  -9.606
  283   HD11  LEU  36          HD11      LEU  36  -3.455  16.618  -8.664
  284   HD12  LEU  36          HD12      LEU  36  -3.199  15.375  -9.908
  285   HD13  LEU  36          HD13      LEU  36  -1.950  15.701  -8.684
  286   HD21  LEU  36          HD21      LEU  36  -0.198  16.148 -10.334
  287   HD22  LEU  36          HD22      LEU  36  -1.358  15.679 -11.595
  288   HD23  LEU  36          HD23      LEU  36  -0.506  17.227 -11.710
  289    H    ASP  37           H        ASP  37  -5.509  18.497 -13.020
  290    HA   ASP  37           HA       ASP  37  -5.373  21.276 -13.403
  291    HB2  ASP  37           HB2      ASP  37  -5.753  19.733 -15.243
  292    HB3  ASP  37           HB3      ASP  37  -7.273  19.186 -14.530
  293    H    ASP  38           H        ASP  38  -7.891  19.318 -11.780
  294    HA   ASP  38           HA       ASP  38  -9.703  21.581 -11.500
  295    HB2  ASP  38           HB2      ASP  38 -10.503  19.253 -11.621
  296    HB3  ASP  38           HB3      ASP  38  -9.624  18.859 -10.141
  297    H    THR  39           H        THR  39  -6.921  20.413  -9.730
  298    HA   THR  39           HA       THR  39  -7.881  21.641  -7.194
  299    HB   THR  39           HB       THR  39  -5.582  19.769  -7.872
  300    HG1  THR  39           HG1      THR  39  -7.373  18.664  -8.022
  301   HG21  THR  39          HG21      THR  39  -4.856  20.896  -5.953
  302   HG22  THR  39          HG22      THR  39  -6.473  20.984  -5.251
  303   HG23  THR  39          HG23      THR  39  -5.620  19.426  -5.314
  304    H    LEU  40           H        LEU  40  -5.103  21.895  -9.465
  305    HA   LEU  40           HA       LEU  40  -3.526  23.491  -7.685
  306    HB2  LEU  40           HB2      LEU  40  -3.391  22.995 -10.676
  307    HB3  LEU  40           HB3      LEU  40  -2.141  23.845  -9.777
  308    HG   LEU  40           HG       LEU  40  -2.942  20.966  -9.175
  309   HD11  LEU  40          HD11      LEU  40  -0.941  20.318 -10.500
  310   HD12  LEU  40          HD12      LEU  40  -2.116  21.173 -11.513
  311   HD13  LEU  40          HD13      LEU  40  -0.666  22.018 -10.933
  312   HD21  LEU  40          HD21      LEU  40  -0.449  22.528  -8.424
  313   HD22  LEU  40          HD22      LEU  40  -1.750  21.982  -7.331
  314   HD23  LEU  40          HD23      LEU  40  -0.735  20.799  -8.144
  315    H    GLU  41           H        GLU  41  -3.669  25.622  -7.277
  316    HA   GLU  41           HA       GLU  41  -5.476  27.344  -8.780
  317    HB2  GLU  41           HB2      GLU  41  -3.736  27.755  -6.309
  318    HB3  GLU  41           HB3      GLU  41  -4.813  28.986  -6.962
  319    HG2  GLU  41           HG2      GLU  41  -5.782  26.259  -6.013
  320    HG3  GLU  41           HG3      GLU  41  -5.741  27.708  -5.024
  321    H    PHE  42           H        PHE  42  -3.519  26.574 -10.553
  322    HA   PHE  42           HA       PHE  42  -1.353  28.488 -10.733
  323    HB2  PHE  42           HB2      PHE  42  -1.240  27.681 -13.123
  324    HB3  PHE  42           HB3      PHE  42  -1.001  26.487 -11.872
  325    HD1  PHE  42           HD2      PHE  42  -3.759  27.876 -14.076
  326    HD2  PHE  42           HD1      PHE  42  -2.055  24.428 -12.118
  327    HE1  PHE  42           HE2      PHE  42  -5.460  26.426 -15.138
  328    HE2  PHE  42           HE1      PHE  42  -3.776  22.987 -13.171
  329    HZ   PHE  42           HZ       PHE  42  -5.481  23.983 -14.680
  330    HA   PRO  43           HA       PRO  43  -0.352  29.644 -12.882
  331    HB2  PRO  43           HB2      PRO  43   0.298  32.285 -13.094
  332    HB3  PRO  43           HB3      PRO  43  -0.524  31.382 -14.401
  333    HG2  PRO  43           HG2      PRO  43  -1.799  33.173 -12.322
  334    HG3  PRO  43           HG3      PRO  43  -2.046  33.179 -14.099
  335    HD2  PRO  43           HD2      PRO  43  -3.749  31.877 -12.420
  336    HD3  PRO  43           HD3      PRO  43  -3.332  31.199 -14.020
  337    H    PHE  44           H        PHE  44   1.497  29.891 -11.515
  338    HA   PHE  44           HA       PHE  44   1.300  31.485  -9.080
  339    HB2  PHE  44           HB2      PHE  44   1.717  29.662  -7.534
  340    HB3  PHE  44           HB3      PHE  44   0.128  29.577  -8.251
  341    HD1  PHE  44           HD1      PHE  44   3.588  28.118  -8.751
  342    HD2  PHE  44           HD2      PHE  44  -0.659  27.443  -8.821
  343    HE1  PHE  44           HE1      PHE  44   3.995  25.729  -9.094
  344    HE2  PHE  44           HE2      PHE  44  -0.252  25.034  -9.237
  345    HZ   PHE  44           HZ       PHE  44   2.069  24.159  -9.368
  346    H    MET  45           H        MET  45   3.428  31.386  -7.856
  347    HA   MET  45           HA       MET  45   5.652  31.209  -9.796
  348    HB2  MET  45           HB2      MET  45   5.402  33.148  -8.201
  349    HB3  MET  45           HB3      MET  45   5.532  32.019  -6.844
  350    HG2  MET  45           HG2      MET  45   7.825  31.389  -7.686
  351    HG3  MET  45           HG3      MET  45   7.673  32.660  -8.905
  352    HE1  MET  45           HE1      MET  45   9.990  33.637  -8.000
  353    HE2  MET  45           HE2      MET  45  10.332  33.877  -6.270
  354    HE3  MET  45           HE3      MET  45   9.996  32.242  -6.898
  355    H    GLY  46           H        GLY  46   7.409  29.660  -9.551
  356    HA2  GLY  46           HA2      GLY  46   7.401  27.946  -7.188
  357    HA3  GLY  46           HA3      GLY  46   7.074  27.105  -8.713
  358    H    LYS  47           H        LYS  47   9.235  26.410  -7.327
  359    HA   LYS  47           HA       LYS  47  11.524  27.569  -8.848
  360    HB2  LYS  47           HB2      LYS  47  11.683  27.277  -6.260
  361    HB3  LYS  47           HB3      LYS  47  11.657  25.546  -6.562
  362    HG2  LYS  47           HG2      LYS  47  13.953  26.082  -6.405
  363    HG3  LYS  47           HG3      LYS  47  13.662  25.923  -8.132
  364    HD2  LYS  47           HD2      LYS  47  15.004  27.851  -7.899
  365    HD3  LYS  47           HD3      LYS  47  13.391  28.494  -8.188
  366    HE2  LYS  47           HE2      LYS  47  13.100  29.165  -5.941
  367    HE3  LYS  47           HE3      LYS  47  14.388  28.094  -5.360
  368    HZ1  LYS  47           HZ1      LYS  47  15.073  30.433  -5.463
  369    HZ2  LYS  47           HZ2      LYS  47  16.012  29.441  -6.371
  370    HZ3  LYS  47           HZ3      LYS  47  14.892  30.432  -7.099
  371    H    TRP  48           H        TRP  48  12.093  26.432 -10.633
  372    HA   TRP  48           HA       TRP  48  11.106  23.660 -11.039
  373    HB2  TRP  48           HB2      TRP  48  10.907  25.252 -12.927
  374    HB3  TRP  48           HB3      TRP  48  12.625  25.564 -12.867
  375    HD1  TRP  48           HD1      TRP  48  12.319  21.975 -12.405
  376    HE1  TRP  48           HE1      TRP  48  12.651  20.660 -14.535
  377    HE3  TRP  48           HE3      TRP  48  11.737  25.787 -15.763
  378    HZ2  TRP  48           HZ2      TRP  48  12.727  21.189 -17.393
  379    HZ3  TRP  48           HZ3      TRP  48  11.935  25.343 -18.194
  380    HH2  TRP  48           HH2      TRP  48  12.430  23.055 -19.018
  381    H    LYS  49           H        LYS  49  12.354  22.332  -9.777
  382    HA   LYS  49           HA       LYS  49  15.239  22.825  -9.313
  383    HB2  LYS  49           HB2      LYS  49  13.069  21.078  -8.070
  384    HB3  LYS  49           HB3      LYS  49  14.774  20.707  -7.835
  385    HG2  LYS  49           HG2      LYS  49  15.189  22.961  -6.932
  386    HG3  LYS  49           HG3      LYS  49  13.466  23.358  -7.102
  387    HD2  LYS  49           HD2      LYS  49  12.822  21.722  -5.475
  388    HD3  LYS  49           HD3      LYS  49  14.424  20.949  -5.496
  389    HE2  LYS  49           HE2      LYS  49  15.466  22.926  -4.534
  390    HE3  LYS  49           HE3      LYS  49  13.926  23.807  -4.570
  391    HZ1  LYS  49           HZ1      LYS  49  14.368  22.904  -2.376
  392    HZ2  LYS  49           HZ2      LYS  49  13.023  22.207  -3.000
  393    HZ3  LYS  49           HZ3      LYS  49  14.445  21.379  -2.951
  394    H    LYS  50           H        LYS  50  15.425  22.529 -11.743
  395    HA   LYS  50           HA       LYS  50  14.589  20.149 -13.027
  396    HB2  LYS  50           HB2      LYS  50  15.306  22.286 -14.157
  397    HB3  LYS  50           HB3      LYS  50  16.980  21.849 -13.783
  398    HG2  LYS  50           HG2      LYS  50  16.445  19.599 -14.972
  399    HG3  LYS  50           HG3      LYS  50  15.018  20.405 -15.611
  400    HD2  LYS  50           HD2      LYS  50  16.339  22.002 -16.798
  401    HD3  LYS  50           HD3      LYS  50  17.806  21.603 -15.892
  402    HE2  LYS  50           HE2      LYS  50  16.395  19.721 -17.836
  403    HE3  LYS  50           HE3      LYS  50  17.834  20.682 -18.194
  404    HZ1  LYS  50           HZ1      LYS  50  18.540  18.509 -17.593
  405    HZ2  LYS  50           HZ2      LYS  50  18.935  19.479 -16.317
  406    HZ3  LYS  50           HZ3      LYS  50  17.662  18.484 -16.205
  407    H    LYS  51           H        LYS  51  15.154  18.064 -12.533
  408    HA   LYS  51           HA       LYS  51  17.615  17.263 -11.332
  409    HB2  LYS  51           HB2      LYS  51  15.451  15.955 -11.442
  410    HB3  LYS  51           HB3      LYS  51  15.751  15.677 -13.165
  411    HG2  LYS  51           HG2      LYS  51  17.896  14.516 -12.566
  412    HG3  LYS  51           HG3      LYS  51  17.532  14.796 -10.849
  413    HD2  LYS  51           HD2      LYS  51  15.451  13.461 -11.073
  414    HD3  LYS  51           HD3      LYS  51  15.815  13.183 -12.791
  415    HE2  LYS  51           HE2      LYS  51  17.943  12.059 -12.150
  416    HE3  LYS  51           HE3      LYS  51  17.572  12.334 -10.444
  417    HZ1  LYS  51           HZ1      LYS  51  15.617  10.920 -10.708
  418    HZ2  LYS  51           HZ2      LYS  51  15.968  10.656 -12.284
  419    HZ3  LYS  51           HZ3      LYS  51  16.968  10.110 -11.120
  420    H    SER  52           H        SER  52  19.618  16.967 -12.256
  421    HA   SER  52           HA       SER  52  19.932  17.096 -15.212
  422    HB2  SER  52           HB2      SER  52  21.062  19.006 -13.119
  423    HB3  SER  52           HB3      SER  52  21.496  19.017 -14.839
  424    HG   SER  52           HG       SER  52  19.084  19.747 -13.591
  425    H    ARG  53           H        ARG  53  22.247  17.047 -15.815
  426    HA   ARG  53           HA       ARG  53  24.240  16.125 -16.001
  427    HB2  ARG  53           HB2      ARG  53  24.509  17.739 -14.118
  428    HB3  ARG  53           HB3      ARG  53  24.380  16.395 -12.987
  429    HG2  ARG  53           HG2      ARG  53  26.477  15.456 -13.744
  430    HG3  ARG  53           HG3      ARG  53  26.503  16.509 -15.168
  431    HD2  ARG  53           HD2      ARG  53  28.095  17.239 -13.454
  432    HD3  ARG  53           HD3      ARG  53  26.861  18.473 -13.760
  433    HE   ARG  53           HE       ARG  53  25.768  17.149 -11.666
  434   HH11  ARG  53          HH22      ARG  53  29.027  18.523 -12.054
  435   HH12  ARG  53          HH21      ARG  53  29.225  18.838 -10.370
  436   HH21  ARG  53          HH11      ARG  53  25.996  17.558  -9.537
  437   HH22  ARG  53          HH12      ARG  53  27.443  18.259  -8.862
  438    H    LYS  54           H        LYS  54  21.850  14.245 -15.089
  439    HA   LYS  54           HA       LYS  54  21.460  12.071 -14.695
  440    HB2  LYS  54           HB2      LYS  54  24.106  11.606 -16.127
  441    HB3  LYS  54           HB3      LYS  54  22.842  10.407 -15.846
  442    HG2  LYS  54           HG2      LYS  54  21.244  11.765 -17.188
  443    HG3  LYS  54           HG3      LYS  54  22.542  12.925 -17.538
  444    HD2  LYS  54           HD2      LYS  54  23.865  11.129 -18.620
  445    HD3  LYS  54           HD3      LYS  54  22.563   9.967 -18.280
  446    HE2  LYS  54           HE2      LYS  54  20.991  11.342 -19.630
  447    HE3  LYS  54           HE3      LYS  54  22.286  12.496 -19.970
  448    HZ1  LYS  54           HZ1      LYS  54  23.471  10.722 -21.129
  449    HZ2  LYS  54           HZ2      LYS  54  22.272   9.655 -20.814
  450    HZ3  LYS  54           HZ3      LYS  54  21.995  10.934 -21.782
  451    H    THR  55           H        THR  55  22.960  13.620 -12.631
  452    HA   THR  55           HA       THR  55  23.800  11.301 -10.964
  453    HB   THR  55           HB       THR  55  25.386  13.009  -9.906
  454    HG1  THR  55           HG1      THR  55  25.895  14.775 -11.157
  455   HG21  THR  55          HG21      THR  55  26.203  11.239 -11.439
  456   HG22  THR  55          HG22      THR  55  25.952  12.324 -12.822
  457   HG23  THR  55          HG23      THR  55  27.141  12.735 -11.570
  458    H    SER  56           H        SER  56  21.211  12.927 -11.422
  459    HA   SER  56           HA       SER  56  19.627  14.072 -10.364
  460    HB2  SER  56           HB2      SER  56  20.624  12.664  -7.858
  461    HB3  SER  56           HB3      SER  56  19.005  13.327  -8.133
  462    HG   SER  56           HG       SER  56  19.210  11.026  -8.498
  463    H    THR  57           H        THR  57  21.893  15.588 -10.858
  464    HA   THR  57           HA       THR  57  22.406  17.338  -8.553
  465    HB   THR  57           HB       THR  57  22.865  17.633 -11.560
  466    HG1  THR  57           HG1      THR  57  24.096  15.997 -10.498
  467   HG21  THR  57          HG21      THR  57  24.496  19.401 -10.943
  468   HG22  THR  57          HG22      THR  57  22.840  19.871 -10.561
  469   HG23  THR  57          HG23      THR  57  23.928  19.328  -9.259
  470    H    ILE  58           H        ILE  58  21.358  19.472  -8.390
  471    HA   ILE  58           HA       ILE  58  18.716  19.623  -9.775
  472    HB   ILE  58           HB       ILE  58  19.468  20.249  -6.912
  473   HG12  ILE  58          HG12      ILE  58  18.942  17.870  -7.413
  474   HG13  ILE  58          HG13      ILE  58  17.821  18.616  -6.289
  475   HG21  ILE  58          HG21      ILE  58  16.956  21.007  -8.433
  476   HG22  ILE  58          HG22      ILE  58  17.051  20.967  -6.649
  477   HG23  ILE  58          HG23      ILE  58  18.065  22.079  -7.565
  478   HD11  ILE  58          HD11      ILE  58  17.249  18.112  -9.244
  479   HD12  ILE  58          HD12      ILE  58  16.697  17.120  -7.888
  480   HD13  ILE  58          HD13      ILE  58  16.109  18.778  -8.053
  481    H    GLU  59           H        GLU  59  19.093  20.961 -11.370
  482    HA   GLU  59           HA       GLU  59  20.600  23.486 -10.955
  483    HB2  GLU  59           HB2      GLU  59  19.337  22.147 -13.389
  484    HB3  GLU  59           HB3      GLU  59  19.998  23.782 -13.411
  485    HG2  GLU  59           HG2      GLU  59  21.615  21.294 -12.681
  486    HG3  GLU  59           HG3      GLU  59  21.546  22.002 -14.287
  487    H    GLU  60           H        GLU  60  19.188  24.399  -9.383
  488    HA   GLU  60           HA       GLU  60  16.355  24.518  -9.855
  489    HB2  GLU  60           HB2      GLU  60  16.155  25.911  -7.987
  490    HB3  GLU  60           HB3      GLU  60  17.282  24.619  -7.589
  491    HG2  GLU  60           HG2      GLU  60  19.170  26.089  -7.895
  492    HG3  GLU  60           HG3      GLU  60  18.129  27.371  -8.525
  493    H    LYS  61           H        LYS  61  15.061  26.272 -10.496
  494    HA   LYS  61           HA       LYS  61  16.306  28.673 -11.711
  495    HB2  LYS  61           HB2      LYS  61  16.241  26.985 -13.515
  496    HB3  LYS  61           HB3      LYS  61  14.588  26.553 -13.090
  497    HG2  LYS  61           HG2      LYS  61  13.894  28.923 -13.719
  498    HG3  LYS  61           HG3      LYS  61  15.525  29.167 -14.337
  499    HD2  LYS  61           HD2      LYS  61  13.592  26.962 -15.199
  500    HD3  LYS  61           HD3      LYS  61  13.782  28.471 -16.061
  501    HE2  LYS  61           HE2      LYS  61  15.903  26.308 -15.697
  502    HE3  LYS  61           HE3      LYS  61  14.991  26.662 -17.162
  503    HZ1  LYS  61           HZ1      LYS  61  17.064  28.359 -15.921
  504    HZ2  LYS  61           HZ2      LYS  61  17.040  27.747 -17.431
  505    HZ3  LYS  61           HZ3      LYS  61  16.019  28.974 -17.014
  506    H    THR  62           H        THR  62  14.742  30.408 -11.519
  507    HA   THR  62           HA       THR  62  12.410  29.711  -9.799
  508    HB   THR  62           HB       THR  62  13.697  32.425 -10.267
  509    HG1  THR  62           HG1      THR  62  15.264  31.264  -9.308
  510   HG21  THR  62          HG21      THR  62  11.412  32.428  -9.301
  511   HG22  THR  62          HG22      THR  62  11.948  31.309  -8.026
  512   HG23  THR  62          HG23      THR  62  12.624  32.954  -8.117
  513    H    VAL  63           H        VAL  63  10.366  29.785 -10.691
  514    HA   VAL  63           HA       VAL  63  10.095  31.085 -13.337
  515    HB   VAL  63           HB       VAL  63   9.047  29.141 -14.248
  516   HG11  VAL  63          HG11      VAL  63  11.661  28.184 -13.016
  517   HG12  VAL  63          HG12      VAL  63  10.905  27.655 -14.530
  518   HG13  VAL  63          HG13      VAL  63  11.551  29.294 -14.395
  519   HG21  VAL  63          HG21      VAL  63   8.966  26.960 -13.157
  520   HG22  VAL  63          HG22      VAL  63   9.675  27.625 -11.674
  521   HG23  VAL  63          HG23      VAL  63   8.053  28.125 -12.197
  522    H    GLU  64           H        GLU  64   7.940  31.373 -14.019
  523    HA   GLU  64           HA       GLU  64   5.849  31.353 -11.868
  524    HB2  GLU  64           HB2      GLU  64   6.370  33.631 -12.686
  525    HB3  GLU  64           HB3      GLU  64   6.047  33.120 -14.346
  526    HG2  GLU  64           HG2      GLU  64   3.701  32.621 -13.765
  527    HG3  GLU  64           HG3      GLU  64   4.023  32.965 -12.064
  528    H    VAL  65           H        VAL  65   4.534  29.614 -12.161
  529    HA   VAL  65           HA       VAL  65   4.505  28.213 -14.736
  530    HB   VAL  65           HB       VAL  65   3.459  26.471 -13.790
  531   HG11  VAL  65          HG11      VAL  65   4.782  27.554 -11.277
  532   HG12  VAL  65          HG12      VAL  65   4.525  25.858 -11.728
  533   HG13  VAL  65          HG13      VAL  65   5.667  26.849 -12.647
  534   HG21  VAL  65          HG21      VAL  65   2.260  28.097 -11.564
  535   HG22  VAL  65          HG22      VAL  65   1.416  27.439 -12.990
  536   HG23  VAL  65          HG23      VAL  65   2.099  26.348 -11.793
  537    H    LEU  66           H        LEU  66   2.734  28.135 -16.136
  538    HA   LEU  66           HA       LEU  66   0.826  30.419 -15.783
  539    HB2  LEU  66           HB2      LEU  66   1.555  28.902 -18.315
  540    HB3  LEU  66           HB3      LEU  66   0.458  30.256 -18.177
  541    HG   LEU  66           HG       LEU  66   2.344  31.205 -19.073
  542   HD11  LEU  66          HD11      LEU  66   1.546  32.507 -17.097
  543   HD12  LEU  66          HD12      LEU  66   2.799  31.724 -16.103
  544   HD13  LEU  66          HD13      LEU  66   3.261  32.762 -17.461
  545   HD21  LEU  66          HD21      LEU  66   4.176  29.883 -17.051
  546   HD22  LEU  66          HD22      LEU  66   3.869  29.275 -18.692
  547   HD23  LEU  66          HD23      LEU  66   4.629  30.854 -18.454
  548    H    GLY  67           H        GLY  67   1.042  26.897 -16.055
  549    HA2  GLY  67           HA2      GLY  67  -1.380  26.183 -15.072
  550    HA3  GLY  67           HA3      GLY  67  -1.698  26.453 -16.798
  551    H    MET  68           H        MET  68  -2.040  23.959 -16.017
  552    HA   MET  68           HA       MET  68   0.306  22.263 -16.329
  553    HB2  MET  68           HB2      MET  68  -2.655  21.673 -16.664
  554    HB3  MET  68           HB3      MET  68  -1.357  20.480 -16.842
  555    HG2  MET  68           HG2      MET  68  -0.576  21.041 -14.515
  556    HG3  MET  68           HG3      MET  68  -1.985  22.086 -14.344
  557    HE1  MET  68           HE1      MET  68  -1.148  18.414 -15.647
  558    HE2  MET  68           HE2      MET  68  -0.531  18.559 -13.985
  559    HE3  MET  68           HE3      MET  68  -1.900  17.480 -14.335
  560    H    ALA  69           H        ALA  69   0.858  21.065 -18.182
  561    HA   ALA  69           HA       ALA  69   0.703  22.423 -20.725
  562    HB1  ALA  69           HB1      ALA  69   1.439  19.540 -20.073
  563    HB2  ALA  69           HB2      ALA  69   1.885  20.434 -21.537
  564    HB3  ALA  69           HB3      ALA  69   2.571  20.920 -19.986
  565    HA   PRO  70           HA       PRO  70  -3.065  20.770 -22.505
  566    HB2  PRO  70           HB2      PRO  70  -1.356  19.433 -24.614
  567    HB3  PRO  70           HB3      PRO  70  -2.851  20.399 -24.826
  568    HG2  PRO  70           HG2      PRO  70  -0.437  21.519 -25.314
  569    HG3  PRO  70           HG3      PRO  70  -1.673  22.441 -24.394
  570    HD2  PRO  70           HD2      PRO  70   0.689  20.883 -23.334
  571    HD3  PRO  70           HD3      PRO  70   0.108  22.508 -22.858
  572    H    ASP  71           H        ASP  71  -4.308  18.797 -22.733
  573    HA   ASP  71           HA       ASP  71  -3.602  16.609 -21.157
  574    HB2  ASP  71           HB2      ASP  71  -5.545  15.589 -21.846
  575    HB3  ASP  71           HB3      ASP  71  -5.915  17.297 -22.033
  576    H    ASP  72           H        ASP  72  -2.871  17.186 -24.593
  577    HA   ASP  72           HA       ASP  72  -2.133  14.526 -25.284
  578    HB2  ASP  72           HB2      ASP  72  -2.516  16.302 -26.942
  579    HB3  ASP  72           HB3      ASP  72  -1.092  17.172 -26.358
  580    H    GLU  73           H        GLU  73  -0.424  17.034 -23.513
  581    HA   GLU  73           HA       GLU  73   2.142  15.542 -23.514
  582    HB2  GLU  73           HB2      GLU  73   1.260  18.099 -22.117
  583    HB3  GLU  73           HB3      GLU  73   2.863  17.383 -21.986
  584    HG2  GLU  73           HG2      GLU  73   1.624  18.372 -24.594
  585    HG3  GLU  73           HG3      GLU  73   2.728  19.290 -23.584
  586    H    CYS  74           H        CYS  74  -0.607  16.409 -21.380
  587    HA   CYS  74           HA       CYS  74   0.515  15.063 -19.159
  588    HB2  CYS  74           HB2      CYS  74  -2.329  16.013 -19.539
  589    HB3  CYS  74           HB3      CYS  74  -1.576  15.491 -18.019
  590    HG   CYS  74           HG       CYS  74  -0.880  18.039 -19.988
  591    H    LEU  75           H        LEU  75  -0.478  13.571 -21.797
  592    HA   LEU  75           HA       LEU  75  -1.657  11.156 -20.564
  593    HB2  LEU  75           HB2      LEU  75  -0.860  12.050 -23.353
  594    HB3  LEU  75           HB3      LEU  75  -1.026  10.334 -23.036
  595    HG   LEU  75           HG       LEU  75  -3.276  12.282 -22.436
  596   HD11  LEU  75          HD11      LEU  75  -2.809  10.631 -24.951
  597   HD12  LEU  75          HD12      LEU  75  -4.259  11.596 -24.576
  598   HD13  LEU  75          HD13      LEU  75  -2.700  12.399 -24.816
  599   HD21  LEU  75          HD21      LEU  75  -3.226   9.260 -22.851
  600   HD22  LEU  75          HD22      LEU  75  -3.410  10.072 -21.286
  601   HD23  LEU  75          HD23      LEU  75  -4.665  10.246 -22.515
  602    H    LYS  76           H        LYS  76   1.451  12.569 -21.045
  603    HA   LYS  76           HA       LYS  76   2.819   9.920 -21.168
  604    HB2  LYS  76           HB2      LYS  76   3.785  12.679 -21.997
  605    HB3  LYS  76           HB3      LYS  76   4.700  11.174 -22.109
  606    HG2  LYS  76           HG2      LYS  76   2.916  10.242 -23.616
  607    HG3  LYS  76           HG3      LYS  76   2.115  11.817 -23.618
  608    HD2  LYS  76           HD2      LYS  76   4.983  11.338 -24.522
  609    HD3  LYS  76           HD3      LYS  76   3.611  11.333 -25.620
  610    HE2  LYS  76           HE2      LYS  76   4.210  13.735 -23.844
  611    HE3  LYS  76           HE3      LYS  76   5.046  13.492 -25.375
  612    HZ1  LYS  76           HZ1      LYS  76   3.140  14.916 -25.618
  613    HZ2  LYS  76           HZ2      LYS  76   2.949  13.563 -26.524
  614    HZ3  LYS  76           HZ3      LYS  76   2.097  13.750 -25.130
  615    H    ASP  77           H        ASP  77   2.756  13.057 -19.431
  616    HA   ASP  77           HA       ASP  77   3.560  11.791 -16.995
  617    HB2  ASP  77           HB2      ASP  77   5.821  12.236 -18.270
  618    HB3  ASP  77           HB3      ASP  77   5.476  13.938 -17.954
  619    H    MET  78           H        MET  78   3.700  13.775 -15.263
  620    HA   MET  78           HA       MET  78   1.569  15.718 -16.026
  621    HB2  MET  78           HB2      MET  78   3.080  15.319 -13.415
  622    HB3  MET  78           HB3      MET  78   1.867  16.572 -13.701
  623    HG2  MET  78           HG2      MET  78   1.388  13.580 -13.795
  624    HG3  MET  78           HG3      MET  78   0.916  14.678 -12.507
  625    HE1  MET  78           HE1      MET  78   0.327  13.629 -16.288
  626    HE2  MET  78           HE2      MET  78  -0.391  12.540 -15.077
  627    HE3  MET  78           HE3      MET  78  -1.431  13.471 -16.165
  628    H    TYR  79           H        TYR  79   2.039  17.707 -16.809
  629    HA   TYR  79           HA       TYR  79   4.747  18.850 -16.408
  630    HB2  TYR  79           HB2      TYR  79   3.296  18.742 -19.070
  631    HB3  TYR  79           HB3      TYR  79   4.838  19.498 -18.764
  632    HD1  TYR  79           HD2      TYR  79   6.900  18.022 -18.352
  633    HD2  TYR  79           HD1      TYR  79   3.101  16.480 -19.695
  634    HE1  TYR  79           HE2      TYR  79   8.048  16.073 -19.361
  635    HE2  TYR  79           HE1      TYR  79   4.243  14.562 -20.736
  636    HH   TYR  79           HH       TYR  79   7.774  14.045 -20.575
  637    H    VAL  80           H        VAL  80   4.843  21.105 -16.874
  638    HA   VAL  80           HA       VAL  80   2.292  22.611 -16.845
  639    HB   VAL  80           HB       VAL  80   3.400  24.058 -15.036
  640   HG11  VAL  80          HG11      VAL  80   2.525  22.682 -13.181
  641   HG12  VAL  80          HG12      VAL  80   1.422  22.755 -14.550
  642   HG13  VAL  80          HG13      VAL  80   2.394  21.286 -14.276
  643   HG21  VAL  80          HG21      VAL  80   5.662  22.986 -15.081
  644   HG22  VAL  80          HG22      VAL  80   4.929  22.991 -13.471
  645   HG23  VAL  80          HG23      VAL  80   4.957  21.493 -14.428
  646    H    GLU  81           H        GLU  81   2.468  24.647 -17.714
  647    HA   GLU  81           HA       GLU  81   4.838  25.171 -19.412
  648    HB2  GLU  81           HB2      GLU  81   2.131  26.556 -19.115
  649    HB3  GLU  81           HB3      GLU  81   3.441  27.114 -20.164
  650    HG2  GLU  81           HG2      GLU  81   3.381  24.904 -21.356
  651    HG3  GLU  81           HG3      GLU  81   1.978  24.449 -20.388
  652    H    VAL  82           H        VAL  82   6.307  26.766 -18.803
  653    HA   VAL  82           HA       VAL  82   5.745  28.357 -16.367
  654    HB   VAL  82           HB       VAL  82   7.791  27.697 -15.325
  655   HG11  VAL  82          HG11      VAL  82   6.406  25.110 -16.096
  656   HG12  VAL  82          HG12      VAL  82   7.313  25.460 -14.615
  657   HG13  VAL  82          HG13      VAL  82   5.768  26.267 -14.917
  658   HG21  VAL  82          HG21      VAL  82   9.253  27.221 -17.230
  659   HG22  VAL  82          HG22      VAL  82   9.216  25.843 -16.131
  660   HG23  VAL  82          HG23      VAL  82   8.289  25.783 -17.645
  661    H    ALA  83           H        ALA  83   6.981  30.278 -16.181
  662    HA   ALA  83           HA       ALA  83   8.477  31.091 -18.644
  663    HB1  ALA  83           HB1      ALA  83   7.809  33.399 -18.024
  664    HB2  ALA  83           HB2      ALA  83   6.403  32.383 -18.377
  665    HB3  ALA  83           HB3      ALA  83   6.825  32.758 -16.690
  666    H    ASP  84           H        ASP  84  10.587  31.477 -18.271
  667    HA   ASP  84           HA       ASP  84  11.641  31.045 -15.589
  668    HB2  ASP  84           HB2      ASP  84  12.693  30.080 -17.581
  669    HB3  ASP  84           HB3      ASP  84  13.022  31.688 -18.231
  670    H    ILE  85           H        ILE  85  11.301  32.683 -14.207
  671    HA   ILE  85           HA       ILE  85  11.122  35.435 -14.909
  672    HB   ILE  85           HB       ILE  85  11.741  34.248 -12.190
  673   HG12  ILE  85          HG12      ILE  85   8.964  34.778 -13.361
  674   HG13  ILE  85          HG13      ILE  85   9.682  33.187 -13.201
  675   HG21  ILE  85          HG21      ILE  85  10.259  36.810 -12.927
  676   HG22  ILE  85          HG22      ILE  85  10.657  36.260 -11.286
  677   HG23  ILE  85          HG23      ILE  85  11.946  36.749 -12.360
  678   HD11  ILE  85          HD11      ILE  85   8.200  33.466 -11.349
  679   HD12  ILE  85          HD12      ILE  85   9.850  33.523 -10.717
  680   HD13  ILE  85          HD13      ILE  85   8.897  35.017 -10.910
  681    H    GLY  86           H        GLY  86  13.875  33.323 -14.282
  682    HA2  GLY  86           HA2      GLY  86  15.706  35.606 -13.757
  683    HA3  GLY  86           HA3      GLY  86  15.995  33.896 -13.418
  684    H    GLY  87           H        GLY  87  14.565  34.238 -16.517
  685    HA2  GLY  87           HA2      GLY  87  17.189  34.470 -17.916
  686    HA3  GLY  87           HA3      GLY  87  16.309  32.942 -17.982
  687    H    LYS  88           H        LYS  88  13.652  34.637 -18.096
  688    HA   LYS  88           HA       LYS  88  13.931  35.829 -20.807
  689    HB2  LYS  88           HB2      LYS  88  12.037  33.569 -20.004
  690    HB3  LYS  88           HB3      LYS  88  11.725  34.624 -21.372
  691    HG2  LYS  88           HG2      LYS  88  14.179  32.845 -21.103
  692    HG3  LYS  88           HG3      LYS  88  12.716  32.449 -22.001
  693    HD2  LYS  88           HD2      LYS  88  13.098  34.612 -23.343
  694    HD3  LYS  88           HD3      LYS  88  14.707  34.673 -22.624
  695    HE2  LYS  88           HE2      LYS  88  13.561  32.412 -24.328
  696    HE3  LYS  88           HE3      LYS  88  14.693  33.651 -24.875
  697    HZ1  LYS  88           HZ1      LYS  88  16.291  32.763 -23.226
  698    HZ2  LYS  88           HZ2      LYS  88  15.245  31.535 -22.884
  699    HZ3  LYS  88           HZ3      LYS  88  15.890  31.676 -24.373
  700    H    ASP  89           H        ASP  89  11.611  35.060 -18.172
  701    HA   ASP  89           HA       ASP  89   9.731  36.032 -17.482
  702    HB2  ASP  89           HB2      ASP  89  11.508  37.358 -16.369
  703    HB3  ASP  89           HB3      ASP  89  11.367  38.579 -17.633
  704    H    ASP  90           H        ASP  90  10.129  35.959 -20.499
  705    HA   ASP  90           HA       ASP  90   7.820  37.589 -21.321
  706    HB2  ASP  90           HB2      ASP  90   9.852  39.081 -21.421
  707    HB3  ASP  90           HB3      ASP  90  10.598  37.936 -22.532
  708    H    ASP  91           H        ASP  91   9.065  34.631 -21.258
  709    HA   ASP  91           HA       ASP  91   7.936  33.741 -23.757
  710    HB2  ASP  91           HB2      ASP  91  10.271  34.306 -24.464
  711    HB3  ASP  91           HB3      ASP  91  10.885  33.247 -23.195
  712    H    VAL  92           H        VAL  92   7.998  31.240 -23.700
  713    HA   VAL  92           HA       VAL  92   7.733  30.334 -20.872
  714    HB   VAL  92           HB       VAL  92   5.755  30.072 -23.155
  715   HG11  VAL  92          HG11      VAL  92   5.621  28.040 -21.825
  716   HG12  VAL  92          HG12      VAL  92   5.561  28.984 -20.322
  717   HG13  VAL  92          HG13      VAL  92   4.219  29.050 -21.486
  718   HG21  VAL  92          HG21      VAL  92   5.635  32.308 -22.182
  719   HG22  VAL  92          HG22      VAL  92   4.238  31.384 -21.642
  720   HG23  VAL  92          HG23      VAL  92   5.611  31.631 -20.541
  721    H    TYR  93           H        TYR  93   8.135  28.268 -20.487
  722    HA   TYR  93           HA       TYR  93   9.130  26.410 -22.587
  723    HB2  TYR  93           HB2      TYR  93  10.033  26.610 -19.690
  724    HB3  TYR  93           HB3      TYR  93  10.716  25.577 -20.931
  725    HD1  TYR  93           HD2      TYR  93  11.037  27.741 -23.159
  726    HD2  TYR  93           HD1      TYR  93  12.009  27.639 -18.952
  727    HE1  TYR  93           HE2      TYR  93  12.914  29.303 -23.552
  728    HE2  TYR  93           HE1      TYR  93  13.917  29.151 -19.352
  729    HH   TYR  93           HH       TYR  93  15.146  30.302 -20.902
  730    H    THR  94           H        THR  94   9.201  24.144 -21.260
  731    HA   THR  94           HA       THR  94   6.712  23.795 -19.645
  732    HB   THR  94           HB       THR  94   7.588  21.787 -21.744
  733    HG1  THR  94           HG1      THR  94   6.942  23.670 -22.802
  734   HG21  THR  94          HG21      THR  94   4.961  22.178 -20.237
  735   HG22  THR  94          HG22      THR  94   5.285  20.934 -21.467
  736   HG23  THR  94          HG23      THR  94   6.170  20.908 -19.936
  737    H    ALA  95           H        ALA  95   6.977  22.484 -17.919
  738    HA   ALA  95           HA       ALA  95   9.610  21.151 -17.472
  739    HB1  ALA  95           HB1      ALA  95   9.530  23.341 -16.294
  740    HB2  ALA  95           HB2      ALA  95   8.007  22.870 -15.513
  741    HB3  ALA  95           HB3      ALA  95   9.500  21.989 -15.142
  742    H    LYS  96           H        LYS  96   9.440  19.374 -15.935
  743    HA   LYS  96           HA       LYS  96   6.896  17.903 -15.985
  744    HB2  LYS  96           HB2      LYS  96   9.565  17.464 -14.563
  745    HB3  LYS  96           HB3      LYS  96   8.187  16.369 -14.448
  746    HG2  LYS  96           HG2      LYS  96   8.292  15.758 -16.738
  747    HG3  LYS  96           HG3      LYS  96   9.438  17.042 -17.145
  748    HD2  LYS  96           HD2      LYS  96  10.111  14.893 -15.108
  749    HD3  LYS  96           HD3      LYS  96  10.367  14.634 -16.841
  750    HE2  LYS  96           HE2      LYS  96  12.041  16.230 -17.022
  751    HE3  LYS  96           HE3      LYS  96  11.462  17.167 -15.642
  752    HZ1  LYS  96           HZ1      LYS  96  12.762  14.532 -15.339
  753    HZ2  LYS  96           HZ2      LYS  96  13.523  15.980 -15.179
  754    HZ3  LYS  96           HZ3      LYS  96  12.327  15.610 -14.146
  755    H    LEU  97           H        LEU  97   5.437  17.933 -14.304
  756    HA   LEU  97           HA       LEU  97   5.600  19.907 -12.210
  757    HB2  LEU  97           HB2      LEU  97   3.465  18.874 -13.029
  758    HB3  LEU  97           HB3      LEU  97   3.969  17.337 -12.314
  759    HG   LEU  97           HG       LEU  97   3.943  18.377 -10.046
  760   HD11  LEU  97          HD11      LEU  97   2.801  20.610  -9.787
  761   HD12  LEU  97          HD12      LEU  97   4.390  20.730 -10.535
  762   HD13  LEU  97          HD13      LEU  97   2.925  20.842 -11.539
  763   HD21  LEU  97          HD21      LEU  97   1.510  18.550  -9.853
  764   HD22  LEU  97          HD22      LEU  97   1.366  18.755 -11.615
  765   HD23  LEU  97          HD23      LEU  97   1.966  17.223 -10.930
  766    H    SER  98           H        SER  98   6.744  16.597 -12.610
  767    HA   SER  98           HA       SER  98   7.398  15.891  -9.967
  768    HB2  SER  98           HB2      SER  98   8.861  15.170 -12.539
  769    HB3  SER  98           HB3      SER  98   8.739  14.198 -11.068
  770    HG   SER  98           HG       SER  98   7.222  13.531 -12.668
  771    H    ASP  99           H        ASP  99   8.815  18.379 -11.914
  772    HA   ASP  99           HA       ASP  99  11.330  18.380 -10.299
  773    HB2  ASP  99           HB2      ASP  99  10.792  19.170 -13.188
  774    HB3  ASP  99           HB3      ASP  99  12.195  19.731 -12.294
  775    H    ILE 100           H        ILE 100   8.411  19.700 -10.110
  776    HA   ILE 100           HA       ILE 100   9.357  22.506  -9.795
  777    HB   ILE 100           HB       ILE 100   6.815  21.305 -10.811
  778   HG12  ILE 100          HG12      ILE 100   8.777  22.361 -12.116
  779   HG13  ILE 100          HG13      ILE 100   7.121  22.753 -12.583
  780   HG21  ILE 100          HG21      ILE 100   5.841  22.550  -8.991
  781   HG22  ILE 100          HG22      ILE 100   6.790  23.998  -9.390
  782   HG23  ILE 100          HG23      ILE 100   5.542  23.401 -10.506
  783   HD11  ILE 100          HD11      ILE 100   7.294  24.950 -11.575
  784   HD12  ILE 100          HD12      ILE 100   8.888  24.548 -10.889
  785   HD13  ILE 100          HD13      ILE 100   8.670  24.671 -12.648
  786    H    GLU 101           H        GLU 101   8.965  23.535  -8.015
  787    HA   GLU 101           HA       GLU 101   7.548  22.235  -5.742
  788    HB2  GLU 101           HB2      GLU 101  10.014  22.037  -5.445
  789    HB3  GLU 101           HB3      GLU 101  10.176  23.788  -5.621
  790    HG2  GLU 101           HG2      GLU 101   8.661  24.069  -3.619
  791    HG3  GLU 101           HG3      GLU 101   8.641  22.314  -3.433
  792    H    ALA 102           H        ALA 102   5.716  23.499  -5.658
  793    HA   ALA 102           HA       ALA 102   5.651  26.146  -6.810
  794    HB1  ALA 102           HB1      ALA 102   3.360  26.202  -5.995
  795    HB2  ALA 102           HB2      ALA 102   3.686  24.669  -6.797
  796    HB3  ALA 102           HB3      ALA 102   3.628  24.748  -5.012
  797    H    ILE 103           H        ILE 103   5.352  28.113  -5.795
  798    HA   ILE 103           HA       ILE 103   6.257  28.301  -2.951
  799    HB   ILE 103           HB       ILE 103   6.797  30.086  -5.347
  800   HG12  ILE 103          HG12      ILE 103   8.786  28.564  -3.595
  801   HG13  ILE 103          HG13      ILE 103   8.179  27.933  -5.114
  802   HG21  ILE 103          HG21      ILE 103   8.146  31.490  -3.841
  803   HG22  ILE 103          HG22      ILE 103   6.475  31.460  -3.309
  804   HG23  ILE 103          HG23      ILE 103   7.685  30.473  -2.458
  805   HD11  ILE 103          HD11      ILE 103   9.861  30.440  -4.786
  806   HD12  ILE 103          HD12      ILE 103  10.308  28.911  -5.545
  807   HD13  ILE 103          HD13      ILE 103   9.085  29.937  -6.309
  808    H    ASP 104           H        ASP 104   4.981  29.365  -1.604
  809    HA   ASP 104           HA       ASP 104   3.165  30.306  -0.704
  810    HB2  ASP 104           HB2      ASP 104   4.617  32.183  -1.355
  811    HB3  ASP 104           HB3      ASP 104   3.703  32.369  -2.853
  812    H    VAL 105           H        VAL 105   2.291  28.262  -2.357
  813    HA   VAL 105           HA       VAL 105  -0.145  29.290  -3.710
  814    HB   VAL 105           HB       VAL 105  -0.468  26.962  -4.401
  815   HG11  VAL 105          HG11      VAL 105   0.626  28.595  -5.815
  816   HG12  VAL 105          HG12      VAL 105   2.217  28.112  -5.193
  817   HG13  VAL 105          HG13      VAL 105   1.223  26.960  -6.116
  818   HG21  VAL 105          HG21      VAL 105   1.288  25.276  -4.208
  819   HG22  VAL 105          HG22      VAL 105   2.286  26.364  -3.225
  820   HG23  VAL 105          HG23      VAL 105   0.729  25.757  -2.608
  821    H    ASP 106           H        ASP 106  -2.116  27.774  -3.298
  822    HA   ASP 106           HA       ASP 106  -2.839  27.994  -0.498
  823    HB2  ASP 106           HB2      ASP 106  -4.425  28.219  -2.514
  824    HB3  ASP 106           HB3      ASP 106  -4.292  26.452  -2.655
  825    H    ASP 107           H        ASP 107  -3.827  26.071   0.538
  826    HA   ASP 107           HA       ASP 107  -1.895  23.937   1.022
  827    HB2  ASP 107           HB2      ASP 107  -3.351  24.787   2.801
  828    HB3  ASP 107           HB3      ASP 107  -4.786  24.353   1.869
  829    H    ASP 108           H        ASP 108  -4.970  24.242  -0.860
  830    HA   ASP 108           HA       ASP 108  -5.106  21.427  -1.348
  831    HB2  ASP 108           HB2      ASP 108  -6.910  23.317  -1.539
  832    HB3  ASP 108           HB3      ASP 108  -6.298  23.514  -3.184
  833    H    THR 109           H        THR 109  -3.442  24.078  -2.987
  834    HA   THR 109           HA       THR 109  -2.764  22.599  -5.433
  835    HB   THR 109           HB       THR 109  -1.663  25.140  -4.162
  836    HG1  THR 109           HG1      THR 109  -3.922  25.118  -4.799
  837   HG21  THR 109          HG21      THR 109  -0.869  25.759  -6.389
  838   HG22  THR 109          HG22      THR 109  -0.097  24.242  -5.903
  839   HG23  THR 109          HG23      THR 109  -1.444  24.239  -7.063
  840    H    GLN 110           H        GLN 110  -1.106  23.524  -2.336
  841    HA   GLN 110           HA       GLN 110   1.310  22.182  -2.938
  842    HB2  GLN 110           HB2      GLN 110   0.601  23.873  -1.003
  843    HB3  GLN 110           HB3      GLN 110   0.284  22.398  -0.095
  844    HG2  GLN 110           HG2      GLN 110   2.911  23.229  -1.418
  845    HG3  GLN 110           HG3      GLN 110   2.551  23.326   0.299
  846   HE21  GLN 110          HE22      GLN 110   3.958  21.367  -2.114
  847   HE22  GLN 110          HE21      GLN 110   3.969  19.850  -1.248
  848    H    GLU 111           H        GLU 111  -1.729  21.026  -1.405
  849    HA   GLU 111           HA       GLU 111  -0.887  18.457  -0.697
  850    HB2  GLU 111           HB2      GLU 111  -3.510  19.790  -1.349
  851    HB3  GLU 111           HB3      GLU 111  -3.507  18.042  -1.391
  852    HG2  GLU 111           HG2      GLU 111  -2.482  19.702   0.946
  853    HG3  GLU 111           HG3      GLU 111  -4.111  19.008   0.834
  854    H    ALA 112           H        ALA 112  -2.317  19.513  -3.824
  855    HA   ALA 112           HA       ALA 112  -2.254  16.927  -5.018
  856    HB1  ALA 112           HB1      ALA 112  -3.528  18.724  -5.999
  857    HB2  ALA 112           HB2      ALA 112  -2.067  19.712  -6.237
  858    HB3  ALA 112           HB3      ALA 112  -2.300  18.219  -7.173
  859    H    ILE 113           H        ILE 113   0.225  19.490  -4.839
  860    HA   ILE 113           HA       ILE 113   2.129  18.199  -6.557
  861    HB   ILE 113           HB       ILE 113   2.292  20.368  -4.450
  862   HG12  ILE 113          HG12      ILE 113   2.707  20.612  -7.452
  863   HG13  ILE 113          HG13      ILE 113   1.086  20.628  -6.767
  864   HG21  ILE 113          HG21      ILE 113   4.546  19.388  -6.251
  865   HG22  ILE 113          HG22      ILE 113   4.582  20.892  -5.306
  866   HG23  ILE 113          HG23      ILE 113   4.499  19.343  -4.474
  867   HD11  ILE 113          HD11      ILE 113   1.640  22.547  -5.348
  868   HD12  ILE 113          HD12      ILE 113   3.278  22.574  -6.045
  869   HD13  ILE 113          HD13      ILE 113   1.861  22.896  -7.071
  870    H    ALA 114           H        ALA 114   1.805  18.279  -2.953
  871    HA   ALA 114           HA       ALA 114   4.022  16.638  -2.376
  872    HB1  ALA 114           HB1      ALA 114   1.389  16.943  -0.855
  873    HB2  ALA 114           HB2      ALA 114   2.894  16.256  -0.210
  874    HB3  ALA 114           HB3      ALA 114   2.828  17.969  -0.666
  875    H    ASP 115           H        ASP 115   0.575  15.812  -2.940
  876    HA   ASP 115           HA       ASP 115   0.749  13.044  -2.520
  877    HB2  ASP 115           HB2      ASP 115  -1.289  14.653  -2.950
  878    HB3  ASP 115           HB3      ASP 115  -1.107  14.139  -4.624
  879    H    TRP 116           H        TRP 116   1.367  14.963  -5.461
  880    HA   TRP 116           HA       TRP 116   1.846  12.733  -7.214
  881    HB2  TRP 116           HB2      TRP 116   1.222  14.950  -8.042
  882    HB3  TRP 116           HB3      TRP 116   2.686  15.656  -7.365
  883    HD1  TRP 116           HD1      TRP 116   4.676  15.822  -8.961
  884    HE1  TRP 116           HE1      TRP 116   5.439  14.680 -11.137
  885    HE3  TRP 116           HE3      TRP 116   0.873  12.445  -9.498
  886    HZ2  TRP 116           HZ2      TRP 116   4.356  12.797 -13.005
  887    HZ3  TRP 116           HZ3      TRP 116   0.773  10.969 -11.484
  888    HH2  TRP 116           HH2      TRP 116   2.520  11.127 -13.247
  889    H    LEU 117           H        LEU 117   3.955  14.660  -5.013
  890    HA   LEU 117           HA       LEU 117   6.390  13.543  -6.029
  891    HB2  LEU 117           HB2      LEU 117   5.722  14.870  -3.384
  892    HB3  LEU 117           HB3      LEU 117   7.342  14.338  -3.808
  893    HG   LEU 117           HG       LEU 117   5.765  16.319  -5.508
  894   HD11  LEU 117          HD11      LEU 117   7.864  16.875  -3.377
  895   HD12  LEU 117          HD12      LEU 117   7.135  18.074  -4.473
  896   HD13  LEU 117          HD13      LEU 117   6.129  17.254  -3.273
  897   HD21  LEU 117          HD21      LEU 117   8.709  15.558  -5.497
  898   HD22  LEU 117          HD22      LEU 117   7.522  15.237  -6.784
  899   HD23  LEU 117          HD23      LEU 117   7.992  16.895  -6.425
  900    H    TYR 118           H        TYR 118   4.069  12.324  -3.570
  901    HA   TYR 118           HA       TYR 118   5.806  10.153  -2.748
  902    HB2  TYR 118           HB2      TYR 118   2.766  10.313  -2.768
  903    HB3  TYR 118           HB3      TYR 118   3.702   8.996  -2.085
  904    HD1  TYR 118           HD2      TYR 118   5.299   9.459  -0.139
  905    HD2  TYR 118           HD1      TYR 118   2.439  12.330  -1.540
  906    HE1  TYR 118           HE2      TYR 118   5.576  10.743   1.963
  907    HE2  TYR 118           HE1      TYR 118   2.755  13.686   0.487
  908    HH   TYR 118           HH       TYR 118   4.991  12.684   3.136
  909    H    TRP 119           H        TRP 119   3.330  10.488  -5.353
  910    HA   TRP 119           HA       TRP 119   3.614   7.835  -6.365
  911    HB2  TRP 119           HB2      TRP 119   1.725   9.068  -6.977
  912    HB3  TRP 119           HB3      TRP 119   2.654  10.463  -7.489
  913    HD1  TRP 119           HD1      TRP 119   4.109  10.196  -9.776
  914    HE1  TRP 119           HE1      TRP 119   3.558   9.002 -11.934
  915    HE3  TRP 119           HE3      TRP 119   0.458   7.030  -8.035
  916    HZ2  TRP 119           HZ2      TRP 119   1.613   7.098 -12.870
  917    HZ3  TRP 119           HZ3      TRP 119  -0.847   5.661  -9.631
  918    HH2  TRP 119           HH2      TRP 119  -0.312   5.710 -12.063
  919    H    LEU 120           H        LEU 120   5.465  10.860  -7.120
  920    HA   LEU 120           HA       LEU 120   7.115   9.759  -9.121
  921    HB2  LEU 120           HB2      LEU 120   6.904  12.148  -8.602
  922    HB3  LEU 120           HB3      LEU 120   7.613  11.891  -7.014
  923    HG   LEU 120           HG       LEU 120   9.784  11.292  -8.034
  924   HD11  LEU 120          HD11      LEU 120  10.118  11.904 -10.473
  925   HD12  LEU 120          HD12      LEU 120   9.195  10.430 -10.199
  926   HD13  LEU 120          HD13      LEU 120   8.350  11.941 -10.649
  927   HD21  LEU 120          HD21      LEU 120  10.285  13.618  -8.824
  928   HD22  LEU 120          HD22      LEU 120   8.537  13.949  -8.853
  929   HD23  LEU 120          HD23      LEU 120   9.352  13.572  -7.323
  930    H    ALA 121           H        ALA 121   7.631   9.911  -5.540
  931    HA   ALA 121           HA       ALA 121  10.093   8.516  -5.518
  932    HB1  ALA 121           HB1      ALA 121   9.608   8.149  -3.127
  933    HB2  ALA 121           HB2      ALA 121   9.233   9.816  -3.607
  934    HB3  ALA 121           HB3      ALA 121   7.921   8.638  -3.377
  935    H    ARG 122           H        ARG 122   6.730   7.282  -5.472
  936    HA   ARG 122           HA       ARG 122   7.303   4.548  -5.015
  937    HB2  ARG 122           HB2      ARG 122   5.055   6.076  -6.354
  938    HB3  ARG 122           HB3      ARG 122   5.033   4.326  -6.372
  939    HG2  ARG 122           HG2      ARG 122   5.328   5.859  -3.777
  940    HG3  ARG 122           HG3      ARG 122   3.747   5.574  -4.519
  941    HD2  ARG 122           HD2      ARG 122   4.088   3.145  -4.480
  942    HD3  ARG 122           HD3      ARG 122   5.758   3.375  -3.931
  943    HE   ARG 122           HE       ARG 122   5.099   3.489  -1.843
  944   HH11  ARG 122          HH21      ARG 122   2.174   4.093  -3.790
  945   HH12  ARG 122          HH22      ARG 122   1.137   4.270  -2.403
  946   HH21  ARG 122          HH11      ARG 122   3.716   3.910  -0.031
  947   HH22  ARG 122          HH12      ARG 122   2.045   4.349  -0.313
  948    H    GLY 123           H        GLY 123   8.141   6.355  -7.895
  949    HA2  GLY 123           HA2      GLY 123   8.948   5.585  -9.884
  950    HA3  GLY 123           HA3      GLY 123   8.926   3.930  -9.249
  951    H    TYR 124           H        TYR 124   6.142   6.129  -9.384
  952    HA   TYR 124           HA       TYR 124   4.197   6.230 -10.393
  953    HB2  TYR 124           HB2      TYR 124   6.101   5.374 -12.540
  954    HB3  TYR 124           HB3      TYR 124   4.413   5.593 -12.938
  955    HD1  TYR 124           HD1      TYR 124   6.938   7.563 -10.891
  956    HD2  TYR 124           HD2      TYR 124   4.060   7.544 -14.122
  957    HE1  TYR 124           HE1      TYR 124   7.395   9.912 -11.316
  958    HE2  TYR 124           HE2      TYR 124   4.523   9.915 -14.542
  959    HH   TYR 124           HH       TYR 124   5.902  11.763 -13.998
  960    H    LYS 125           H        LYS 125   2.476   5.230 -11.714
  961    HA   LYS 125           HA       LYS 125   2.479   2.269 -11.789
  962    HB2  LYS 125           HB2      LYS 125  -0.024   3.681 -10.833
  963    HB3  LYS 125           HB3      LYS 125   0.328   1.967 -10.893
  964    HG2  LYS 125           HG2      LYS 125   2.092   2.289  -9.137
  965    HG3  LYS 125           HG3      LYS 125   1.653   4.000  -9.055
  966    HD2  LYS 125           HD2      LYS 125   0.588   2.900  -7.225
  967    HD3  LYS 125           HD3      LYS 125  -0.674   3.338  -8.387
  968    HE2  LYS 125           HE2      LYS 125  -0.643   0.991  -9.265
  969    HE3  LYS 125           HE3      LYS 125   0.622   0.582  -8.101
  970    HZ1  LYS 125           HZ1      LYS 125  -0.966   1.076  -6.320
  971    HZ2  LYS 125           HZ2      LYS 125  -2.132   1.437  -7.409
  972    HZ3  LYS 125           HZ3      LYS 125  -1.552  -0.080  -7.306
  973    H    PHE 126           H        PHE 126   2.483   4.879 -13.610
  974    HA   PHE 126           HA       PHE 126   1.056   3.461 -15.728
  975    HB2  PHE 126           HB2      PHE 126   0.047   5.311 -16.708
  976    HB3  PHE 126           HB3      PHE 126  -0.470   5.269 -15.038
  977    HD1  PHE 126           HD2      PHE 126   2.110   6.960 -17.254
  978    HD2  PHE 126           HD1      PHE 126  -0.711   7.358 -14.018
  979    HE1  PHE 126           HE2      PHE 126   2.572   9.380 -17.145
  980    HE2  PHE 126           HE1      PHE 126  -0.244   9.777 -13.914
  981    HZ   PHE 126           HZ       PHE 126   1.415  10.805 -15.464
  Start of MODEL    2
    1    H1   MET   1           H1       MET   1  12.896   1.432   0.736
    2    H2   MET   1           H2       MET   1  12.921   1.983   2.273
    3    H3   MET   1           H3       MET   1  12.542   0.413   1.970
    4    HA   MET   1           HA       MET   1  10.552   1.068   0.805
    5    HB2  MET   1           HB2      MET   1  10.361   0.526   3.191
    6    HB3  MET   1           HB3      MET   1  10.765   2.186   3.639
    7    HG2  MET   1           HG2      MET   1   8.706   3.000   2.563
    8    HG3  MET   1           HG3      MET   1   8.324   1.365   2.010
    9    HE1  MET   1           HE1      MET   1   5.886   1.863   2.973
   10    HE2  MET   1           HE2      MET   1   5.561   2.273   4.671
   11    HE3  MET   1           HE3      MET   1   6.401   3.437   3.623
   12    H    ALA   2           H        ALA   2   9.381   2.642  -0.243
   13    HA   ALA   2           HA       ALA   2  10.460   5.353  -0.497
   14    HB1  ALA   2           HB1      ALA   2   9.551   4.256  -2.475
   15    HB2  ALA   2           HB2      ALA   2   8.000   3.983  -1.657
   16    HB3  ALA   2           HB3      ALA   2   8.528   5.638  -2.051
   17    H    SER   3           H        SER   3  10.287   5.581   1.932
   18    HA   SER   3           HA       SER   3   7.749   5.714   3.219
   19    HB2  SER   3           HB2      SER   3  10.422   6.860   4.126
   20    HB3  SER   3           HB3      SER   3   9.062   6.364   5.152
   21    HG   SER   3           HG       SER   3  10.708   4.778   5.058
   22    H    VAL   4           H        VAL   4   8.182   7.573   0.871
   23    HA   VAL   4           HA       VAL   4   8.136  10.295   1.689
   24    HB   VAL   4           HB       VAL   4   6.721  10.470  -0.520
   25   HG11  VAL   4          HG11      VAL   4   9.570   9.395  -0.572
   26   HG12  VAL   4          HG12      VAL   4   8.772  10.349  -1.839
   27   HG13  VAL   4          HG13      VAL   4   9.103  11.089  -0.272
   28   HG21  VAL   4          HG21      VAL   4   6.885   8.756  -2.090
   29   HG22  VAL   4          HG22      VAL   4   7.770   7.686  -1.001
   30   HG23  VAL   4          HG23      VAL   4   6.061   8.093  -0.670
   31    H    GLU   5           H        GLU   5   5.676   7.770   1.904
   32    HA   GLU   5           HA       GLU   5   4.213   9.487   3.695
   33    HB2  GLU   5           HB2      GLU   5   3.165   8.997   1.004
   34    HB3  GLU   5           HB3      GLU   5   2.102   8.281   2.211
   35    HG2  GLU   5           HG2      GLU   5   3.131  11.146   2.467
   36    HG3  GLU   5           HG3      GLU   5   1.710  10.743   1.535
   37    H    ARG   6           H        ARG   6   2.687   8.219   4.926
   38    HA   ARG   6           HA       ARG   6   4.116   6.327   6.297
   39    HB2  ARG   6           HB2      ARG   6   2.171   6.088   7.679
   40    HB3  ARG   6           HB3      ARG   6   2.287   7.754   7.131
   41    HG2  ARG   6           HG2      ARG   6   0.587   6.876   5.220
   42    HG3  ARG   6           HG3      ARG   6   0.278   5.626   6.429
   43    HD2  ARG   6           HD2      ARG   6  -1.347   7.259   6.833
   44    HD3  ARG   6           HD3      ARG   6  -0.126   7.574   8.084
   45    HE   ARG   6           HE       ARG   6   0.524   9.122   5.786
   46   HH11  ARG   6          HH11      ARG   6  -1.969   9.075   8.324
   47   HH12  ARG   6          HH12      ARG   6  -2.449  10.710   8.062
   48   HH21  ARG   6          HH21      ARG   6  -0.198  11.179   5.325
   49   HH22  ARG   6          HH22      ARG   6  -1.358  11.978   6.350
   50    H    ASP   7           H        ASP   7   1.563   5.589   3.907
   51    HA   ASP   7           HA       ASP   7   2.528   2.969   3.351
   52    HB2  ASP   7           HB2      ASP   7   1.119   1.547   4.439
   53    HB3  ASP   7           HB3      ASP   7   1.376   2.713   5.719
   54    H    GLU   8           H        GLU   8   0.183   1.834   2.405
   55    HA   GLU   8           HA       GLU   8  -0.206   3.236  -0.058
   56    HB2  GLU   8           HB2      GLU   8  -1.496   0.739   1.125
   57    HB3  GLU   8           HB3      GLU   8  -1.662   1.267  -0.554
   58    HG2  GLU   8           HG2      GLU   8   0.774   1.048  -0.894
   59    HG3  GLU   8           HG3      GLU   8   0.974   0.509   0.774
   60    H    THR   9           H        THR   9  -1.587   4.293   2.768
   61    HA   THR   9           HA       THR   9  -4.382   4.419   2.177
   62    HB   THR   9           HB       THR   9  -3.905   6.735   3.399
   63    HG1  THR   9           HG1      THR   9  -1.696   5.255   4.308
   64   HG21  THR   9          HG21      THR   9  -3.996   5.568   5.610
   65   HG22  THR   9          HG22      THR   9  -5.182   4.962   4.442
   66   HG23  THR   9          HG23      THR   9  -3.712   4.025   4.767
   67    H    ARG  10           H        ARG  10  -1.572   6.362   1.155
   68    HA   ARG  10           HA       ARG  10  -3.025   8.367  -0.285
   69    HB2  ARG  10           HB2      ARG  10  -0.225   7.195  -0.643
   70    HB3  ARG  10           HB3      ARG  10  -0.828   8.492  -1.670
   71    HG2  ARG  10           HG2      ARG  10  -0.734   8.715   1.367
   72    HG3  ARG  10           HG3      ARG  10   0.589   9.197   0.291
   73    HD2  ARG  10           HD2      ARG  10  -0.769  10.833  -0.824
   74    HD3  ARG  10           HD3      ARG  10  -2.231  10.328   0.048
   75    HE   ARG  10           HE       ARG  10  -0.459  10.992   2.057
   76   HH11  ARG  10          HH11      ARG  10  -1.756  12.806  -0.734
   77   HH12  ARG  10          HH12      ARG  10  -1.693  14.324   0.115
   78   HH21  ARG  10          HH21      ARG  10  -0.233  12.856   3.035
   79   HH22  ARG  10          HH22      ARG  10  -0.786  14.378   2.364
   80    H    GLU  11           H        GLU  11  -1.785   5.182  -1.320
   81    HA   GLU  11           HA       GLU  11  -2.515   5.562  -4.072
   82    HB2  GLU  11           HB2      GLU  11  -1.718   3.150  -2.408
   83    HB3  GLU  11           HB3      GLU  11  -2.052   3.054  -4.151
   84    HG2  GLU  11           HG2      GLU  11  -0.284   4.546  -4.704
   85    HG3  GLU  11           HG3      GLU  11  -0.131   5.136  -3.058
   86    H    HIS  12           H        HIS  12  -4.180   4.166  -1.249
   87    HA   HIS  12           HA       HIS  12  -6.500   3.274  -2.725
   88    HB2  HIS  12           HB2      HIS  12  -6.119   4.041   0.192
   89    HB3  HIS  12           HB3      HIS  12  -7.658   3.513  -0.475
   90    HD1  HIS  12           HD1      HIS  12  -4.074   2.073  -0.097
   91    HD2  HIS  12           HD2      HIS  12  -8.094   0.946  -0.624
   92    HE1  HIS  12           HE1      HIS  12  -4.139  -0.475   0.109
   93    H    ARG  13           H        ARG  13  -5.712   6.461  -1.162
   94    HA   ARG  13           HA       ARG  13  -8.267   7.634  -1.816
   95    HB2  ARG  13           HB2      ARG  13  -5.534   8.891  -1.316
   96    HB3  ARG  13           HB3      ARG  13  -7.008   9.820  -1.539
   97    HG2  ARG  13           HG2      ARG  13  -6.584   7.773   0.685
   98    HG3  ARG  13           HG3      ARG  13  -6.344   9.505   0.856
   99    HD2  ARG  13           HD2      ARG  13  -8.988   8.146   0.168
  100    HD3  ARG  13           HD3      ARG  13  -8.521   8.713   1.763
  101    HE   ARG  13           HE       ARG  13  -9.362  10.334  -0.554
  102   HH11  ARG  13          HH11      ARG  13  -7.931  10.483   2.715
  103   HH12  ARG  13          HH12      ARG  13  -8.298  12.157   2.911
  104   HH21  ARG  13          HH21      ARG  13  -9.824  12.380  -0.317
  105   HH22  ARG  13          HH22      ARG  13  -9.428  13.320   1.115
  106    H    ILE  14           H        ILE  14  -5.136   7.572  -3.568
  107    HA   ILE  14           HA       ILE  14  -5.923   9.075  -5.827
  108    HB   ILE  14           HB       ILE  14  -3.949   6.819  -5.356
  109   HG12  ILE  14          HG12      ILE  14  -3.372   9.723  -6.019
  110   HG13  ILE  14          HG13      ILE  14  -3.706   9.230  -4.371
  111   HG21  ILE  14          HG21      ILE  14  -4.521   6.638  -7.718
  112   HG22  ILE  14          HG22      ILE  14  -4.249   8.383  -7.949
  113   HG23  ILE  14          HG23      ILE  14  -2.903   7.295  -7.541
  114   HD11  ILE  14          HD11      ILE  14  -1.405   8.225  -6.075
  115   HD12  ILE  14          HD12      ILE  14  -1.318   9.351  -4.715
  116   HD13  ILE  14          HD13      ILE  14  -1.776   7.664  -4.436
  117    H    GLU  15           H        GLU  15  -6.124   5.512  -5.268
  118    HA   GLU  15           HA       GLU  15  -7.356   4.834  -7.663
  119    HB2  GLU  15           HB2      GLU  15  -6.364   3.214  -6.190
  120    HB3  GLU  15           HB3      GLU  15  -7.518   3.575  -4.901
  121    HG2  GLU  15           HG2      GLU  15  -9.357   2.673  -6.200
  122    HG3  GLU  15           HG3      GLU  15  -8.305   2.430  -7.603
  123    H    THR  16           H        THR  16  -8.907   5.988  -4.644
  124    HA   THR  16           HA       THR  16 -11.559   5.468  -5.781
  125    HB   THR  16           HB       THR  16 -12.310   6.209  -3.481
  126    HG1  THR  16           HG1      THR  16  -9.562   5.933  -2.840
  127   HG21  THR  16          HG21      THR  16 -11.584   4.124  -2.397
  128   HG22  THR  16          HG22      THR  16 -12.054   3.839  -4.079
  129   HG23  THR  16          HG23      THR  16 -10.334   3.887  -3.640
  130    H    GLU  17           H        GLU  17  -9.523   8.254  -5.597
  131    HA   GLU  17           HA       GLU  17 -11.868   9.975  -6.286
  132    HB2  GLU  17           HB2      GLU  17  -9.478  10.699  -4.554
  133    HB3  GLU  17           HB3      GLU  17 -10.778  11.785  -5.039
  134    HG2  GLU  17           HG2      GLU  17 -12.423  10.204  -3.928
  135    HG3  GLU  17           HG3      GLU  17 -11.036   9.351  -3.239
  136    H    ILE  18           H        ILE  18  -8.751   9.015  -7.481
  137    HA   ILE  18           HA       ILE  18  -8.709  11.457  -9.223
  138    HB   ILE  18           HB       ILE  18  -6.360   9.831  -8.192
  139   HG12  ILE  18          HG12      ILE  18  -7.449  12.580  -7.424
  140   HG13  ILE  18          HG13      ILE  18  -7.362  11.152  -6.394
  141   HG21  ILE  18          HG21      ILE  18  -6.396  12.388  -9.849
  142   HG22  ILE  18          HG22      ILE  18  -4.957  11.533  -9.249
  143   HG23  ILE  18          HG23      ILE  18  -5.968  10.779 -10.463
  144   HD11  ILE  18          HD11      ILE  18  -4.863  11.245  -6.544
  145   HD12  ILE  18          HD12      ILE  18  -5.020  12.814  -7.364
  146   HD13  ILE  18          HD13      ILE  18  -5.623  12.615  -5.712
  147    H    ILE  19           H        ILE  19  -8.038   7.901  -9.155
  148    HA   ILE  19           HA       ILE  19  -8.490   7.899 -12.110
  149    HB   ILE  19           HB       ILE  19  -7.074   5.953 -12.200
  150   HG12  ILE  19          HG12      ILE  19  -6.389   6.591  -9.294
  151   HG13  ILE  19          HG13      ILE  19  -7.380   5.220  -9.839
  152   HG21  ILE  19          HG21      ILE  19  -5.663   8.371 -10.998
  153   HG22  ILE  19          HG22      ILE  19  -5.009   7.201 -12.161
  154   HG23  ILE  19          HG23      ILE  19  -6.300   8.287 -12.657
  155   HD11  ILE  19          HD11      ILE  19  -4.479   5.755 -10.476
  156   HD12  ILE  19          HD12      ILE  19  -5.157   4.441  -9.482
  157   HD13  ILE  19          HD13      ILE  19  -5.474   4.485 -11.242
  158    H    VAL  20           H        VAL  20 -10.372   7.484  -9.625
  159    HA   VAL  20           HA       VAL  20 -11.396   4.891  -9.729
  160    HB   VAL  20           HB       VAL  20 -11.905   6.632  -8.079
  161   HG11  VAL  20          HG11      VAL  20 -12.311   8.582  -9.539
  162   HG12  VAL  20          HG12      VAL  20 -13.823   7.837 -10.105
  163   HG13  VAL  20          HG13      VAL  20 -13.637   8.308  -8.406
  164   HG21  VAL  20          HG21      VAL  20 -13.296   4.608  -8.207
  165   HG22  VAL  20          HG22      VAL  20 -14.201   6.011  -7.615
  166   HG23  VAL  20          HG23      VAL  20 -14.428   5.455  -9.287
  167    H    ASP  21           H        ASP  21 -11.844   7.533 -12.034
  168    HA   ASP  21           HA       ASP  21 -13.982   6.144 -13.486
  169    HB2  ASP  21           HB2      ASP  21 -13.998   8.600 -13.021
  170    HB3  ASP  21           HB3      ASP  21 -12.565   8.779 -14.035
  171    H    ALA  22           H        ALA  22 -10.873   5.350 -13.357
  172    HA   ALA  22           HA       ALA  22 -10.415   5.106 -16.302
  173    HB1  ALA  22           HB1      ALA  22  -9.102   6.984 -15.457
  174    HB2  ALA  22           HB2      ALA  22  -8.505   6.013 -14.093
  175    HB3  ALA  22           HB3      ALA  22  -8.028   5.593 -15.732
  176    H    GLU  23           H        GLU  23  -8.923   3.414 -16.897
  177    HA   GLU  23           HA       GLU  23  -8.107   1.483 -14.832
  178    HB2  GLU  23           HB2      GLU  23 -10.383   0.765 -15.591
  179    HB3  GLU  23           HB3      GLU  23  -9.807   0.736 -17.256
  180    HG2  GLU  23           HG2      GLU  23  -9.865  -1.511 -16.396
  181    HG3  GLU  23           HG3      GLU  23  -8.189  -1.064 -16.660
  182    H    ASP  24           H        ASP  24  -8.043   2.566 -18.292
  183    HA   ASP  24           HA       ASP  24  -5.645   0.930 -18.815
  184    HB2  ASP  24           HB2      ASP  24  -7.613   1.650 -20.471
  185    HB3  ASP  24           HB3      ASP  24  -6.587   3.074 -20.690
  186    H    LYS  25           H        LYS  25  -3.731   2.135 -19.800
  187    HA   LYS  25           HA       LYS  25  -2.623   3.832 -17.782
  188    HB2  LYS  25           HB2      LYS  25  -0.665   3.957 -19.186
  189    HB3  LYS  25           HB3      LYS  25  -1.304   2.321 -19.159
  190    HG2  LYS  25           HG2      LYS  25  -2.518   3.073 -21.420
  191    HG3  LYS  25           HG3      LYS  25  -1.322   4.361 -21.399
  192    HD2  LYS  25           HD2      LYS  25  -0.443   2.581 -22.761
  193    HD3  LYS  25           HD3      LYS  25   0.484   2.619 -21.262
  194    HE2  LYS  25           HE2      LYS  25   0.056   0.322 -21.725
  195    HE3  LYS  25           HE3      LYS  25  -0.990   0.759 -20.369
  196    HZ1  LYS  25           HZ1      LYS  25  -1.894   0.603 -23.190
  197    HZ2  LYS  25           HZ2      LYS  25  -2.109  -0.569 -22.081
  198    HZ3  LYS  25           HZ3      LYS  25  -2.864   0.859 -21.881
  199    H    GLU  26           H        GLU  26  -4.130   4.547 -20.916
  200    HA   GLU  26           HA       GLU  26  -3.330   7.328 -20.976
  201    HB2  GLU  26           HB2      GLU  26  -5.599   5.886 -22.431
  202    HB3  GLU  26           HB3      GLU  26  -4.996   7.510 -22.791
  203    HG2  GLU  26           HG2      GLU  26  -2.744   6.507 -23.307
  204    HG3  GLU  26           HG3      GLU  26  -3.434   4.904 -23.066
  205    H    GLU  27           H        GLU  27  -6.233   5.494 -19.881
  206    HA   GLU  27           HA       GLU  27  -7.810   7.806 -19.239
  207    HB2  GLU  27           HB2      GLU  27  -7.901   4.997 -18.078
  208    HB3  GLU  27           HB3      GLU  27  -9.178   6.217 -17.982
  209    HG2  GLU  27           HG2      GLU  27  -9.500   6.129 -20.405
  210    HG3  GLU  27           HG3      GLU  27  -8.204   4.928 -20.561
  211    H    ARG  28           H        ARG  28  -5.582   5.668 -17.368
  212    HA   ARG  28           HA       ARG  28  -6.037   6.952 -14.840
  213    HB2  ARG  28           HB2      ARG  28  -3.691   5.347 -15.935
  214    HB3  ARG  28           HB3      ARG  28  -3.750   5.953 -14.276
  215    HG2  ARG  28           HG2      ARG  28  -5.729   4.648 -13.765
  216    HG3  ARG  28           HG3      ARG  28  -5.907   4.134 -15.444
  217    HD2  ARG  28           HD2      ARG  28  -3.746   2.946 -15.333
  218    HD3  ARG  28           HD3      ARG  28  -3.533   3.464 -13.659
  219    HE   ARG  28           HE       ARG  28  -5.531   1.525 -14.726
  220   HH11  ARG  28          HH11      ARG  28  -3.715   2.757 -11.918
  221   HH12  ARG  28          HH12      ARG  28  -4.300   1.545 -10.842
  222   HH21  ARG  28          HH21      ARG  28  -6.393  -0.036 -13.244
  223   HH22  ARG  28          HH22      ARG  28  -5.813  -0.067 -11.616
  224    H    ALA  29           H        ALA  29  -3.628   7.629 -17.439
  225    HA   ALA  29           HA       ALA  29  -2.355   9.783 -16.129
  226    HB1  ALA  29           HB1      ALA  29  -2.890   9.538 -19.119
  227    HB2  ALA  29           HB2      ALA  29  -1.553  10.385 -18.300
  228    HB3  ALA  29           HB3      ALA  29  -1.644   8.618 -18.269
  229    H    MET  30           H        MET  30  -5.304   9.729 -18.244
  230    HA   MET  30           HA       MET  30  -5.730  12.554 -18.100
  231    HB2  MET  30           HB2      MET  30  -7.626  10.265 -18.709
  232    HB3  MET  30           HB3      MET  30  -8.088  11.964 -18.759
  233    HG2  MET  30           HG2      MET  30  -5.955  10.656 -20.481
  234    HG3  MET  30           HG3      MET  30  -7.555  11.174 -20.976
  235    HE1  MET  30           HE1      MET  30  -3.740  13.655 -20.849
  236    HE2  MET  30           HE2      MET  30  -4.083  12.666 -19.425
  237    HE3  MET  30           HE3      MET  30  -3.949  11.899 -21.019
  238    H    GLY  31           H        GLY  31  -6.835   9.910 -15.934
  239    HA2  GLY  31           HA2      GLY  31  -8.575  11.411 -14.310
  240    HA3  GLY  31           HA3      GLY  31  -7.583  10.039 -13.776
  241    H    TRP  32           H        TRP  32  -5.010  10.902 -13.950
  242    HA   TRP  32           HA       TRP  32  -4.623  12.696 -11.779
  243    HB2  TRP  32           HB2      TRP  32  -2.842  11.618 -13.990
  244    HB3  TRP  32           HB3      TRP  32  -2.265  12.851 -12.882
  245    HD1  TRP  32           HD1      TRP  32  -2.514   9.185 -13.126
  246    HE1  TRP  32           HE1      TRP  32  -1.763   8.108 -10.928
  247    HE3  TRP  32           HE3      TRP  32  -2.630  13.345 -10.157
  248    HZ2  TRP  32           HZ2      TRP  32  -1.356   8.973  -8.172
  249    HZ3  TRP  32           HZ3      TRP  32  -2.041  13.198  -7.750
  250    HH2  TRP  32           HH2      TRP  32  -1.383  11.020  -6.758
  251    H    TYR  33           H        TYR  33  -4.388  13.270 -15.340
  252    HA   TYR  33           HA       TYR  33  -3.453  15.916 -15.117
  253    HB2  TYR  33           HB2      TYR  33  -3.164  14.738 -17.164
  254    HB3  TYR  33           HB3      TYR  33  -4.872  14.345 -17.272
  255    HD1  TYR  33           HD1      TYR  33  -2.756  17.472 -17.059
  256    HD2  TYR  33           HD2      TYR  33  -6.096  15.450 -18.873
  257    HE1  TYR  33           HE1      TYR  33  -3.250  19.495 -18.397
  258    HE2  TYR  33           HE2      TYR  33  -6.636  17.479 -20.173
  259    HH   TYR  33           HH       TYR  33  -6.029  19.679 -20.671
  260    H    TYR  34           H        TYR  34  -6.851  14.687 -15.442
  261    HA   TYR  34           HA       TYR  34  -8.025  17.291 -15.623
  262    HB2  TYR  34           HB2      TYR  34  -9.189  14.647 -14.662
  263    HB3  TYR  34           HB3      TYR  34 -10.116  16.084 -15.054
  264    HD1  TYR  34           HD2      TYR  34  -7.978  16.389 -17.672
  265    HD2  TYR  34           HD1      TYR  34 -10.839  13.530 -16.163
  266    HE1  TYR  34           HE2      TYR  34  -8.378  15.583 -19.968
  267    HE2  TYR  34           HE1      TYR  34 -11.230  12.703 -18.463
  268    HH   TYR  34           HH       TYR  34  -9.541  14.084 -21.322
  269    H    TYR  35           H        TYR  35  -7.393  15.060 -12.836
  270    HA   TYR  35           HA       TYR  35  -8.803  16.625 -10.937
  271    HB2  TYR  35           HB2      TYR  35  -8.111  14.269 -10.632
  272    HB3  TYR  35           HB3      TYR  35  -6.422  14.762 -10.575
  273    HD1  TYR  35           HD1      TYR  35  -9.734  15.365  -8.879
  274    HD2  TYR  35           HD2      TYR  35  -5.444  15.196  -8.465
  275    HE1  TYR  35           HE1      TYR  35  -9.960  15.695  -6.437
  276    HE2  TYR  35           HE2      TYR  35  -5.652  15.548  -6.031
  277    HH   TYR  35           HH       TYR  35  -7.116  15.854  -4.237
  278    H    LEU  36           H        LEU  36  -5.322  16.668 -11.902
  279    HA   LEU  36           HA       LEU  36  -4.607  18.734 -10.024
  280    HB2  LEU  36           HB2      LEU  36  -3.318  17.336 -12.352
  281    HB3  LEU  36           HB3      LEU  36  -2.684  18.908 -11.918
  282    HG   LEU  36           HG       LEU  36  -2.091  18.236  -9.698
  283   HD11  LEU  36          HD11      LEU  36  -3.515  15.600 -10.235
  284   HD12  LEU  36          HD12      LEU  36  -2.412  15.898  -8.869
  285   HD13  LEU  36          HD13      LEU  36  -3.911  16.817  -8.997
  286   HD21  LEU  36          HD21      LEU  36  -0.616  17.550 -11.624
  287   HD22  LEU  36          HD22      LEU  36  -0.446  16.493 -10.207
  288   HD23  LEU  36          HD23      LEU  36  -1.394  15.959 -11.614
  289    H    ASP  37           H        ASP  37  -5.525  18.786 -13.529
  290    HA   ASP  37           HA       ASP  37  -5.189  21.572 -13.876
  291    HB2  ASP  37           HB2      ASP  37  -5.494  20.046 -15.752
  292    HB3  ASP  37           HB3      ASP  37  -7.105  19.601 -15.179
  293    H    ASP  38           H        ASP  38  -7.907  19.744 -12.454
  294    HA   ASP  38           HA       ASP  38  -9.619  22.088 -12.262
  295    HB2  ASP  38           HB2      ASP  38 -10.519  19.804 -12.459
  296    HB3  ASP  38           HB3      ASP  38  -9.759  19.356 -10.930
  297    H    THR  39           H        THR  39  -7.014  20.777 -10.314
  298    HA   THR  39           HA       THR  39  -8.097  22.034  -7.837
  299    HB   THR  39           HB       THR  39  -5.794  20.110  -8.345
  300    HG1  THR  39           HG1      THR  39  -7.628  19.064  -8.638
  301   HG21  THR  39          HG21      THR  39  -5.216  21.270  -6.356
  302   HG22  THR  39          HG22      THR  39  -6.886  21.310  -5.785
  303   HG23  THR  39          HG23      THR  39  -5.994  19.773  -5.806
  304    H    LEU  40           H        LEU  40  -5.169  22.175  -9.914
  305    HA   LEU  40           HA       LEU  40  -3.655  23.740  -8.057
  306    HB2  LEU  40           HB2      LEU  40  -3.365  23.314 -11.046
  307    HB3  LEU  40           HB3      LEU  40  -2.128  24.052 -10.034
  308    HG   LEU  40           HG       LEU  40  -3.129  21.213  -9.554
  309   HD11  LEU  40          HD11      LEU  40  -0.779  22.144 -11.280
  310   HD12  LEU  40          HD12      LEU  40  -1.150  20.458 -10.869
  311   HD13  LEU  40          HD13      LEU  40  -2.272  21.388 -11.873
  312   HD21  LEU  40          HD21      LEU  40  -1.893  22.067  -7.681
  313   HD22  LEU  40          HD22      LEU  40  -0.974  20.827  -8.520
  314   HD23  LEU  40          HD23      LEU  40  -0.534  22.532  -8.746
  315    H    GLU  41           H        GLU  41  -3.711  25.890  -7.670
  316    HA   GLU  41           HA       GLU  41  -5.579  27.590  -9.129
  317    HB2  GLU  41           HB2      GLU  41  -3.865  28.015  -6.643
  318    HB3  GLU  41           HB3      GLU  41  -4.997  29.207  -7.270
  319    HG2  GLU  41           HG2      GLU  41  -5.857  26.419  -6.399
  320    HG3  GLU  41           HG3      GLU  41  -5.844  27.827  -5.354
  321    H    PHE  42           H        PHE  42  -3.629  26.951 -10.921
  322    HA   PHE  42           HA       PHE  42  -1.445  28.829 -10.977
  323    HB2  PHE  42           HB2      PHE  42  -1.319  28.119 -13.414
  324    HB3  PHE  42           HB3      PHE  42  -1.084  26.895 -12.195
  325    HD1  PHE  42           HD2      PHE  42  -3.789  28.336 -14.413
  326    HD2  PHE  42           HD1      PHE  42  -2.181  24.861 -12.428
  327    HE1  PHE  42           HE2      PHE  42  -5.506  26.917 -15.500
  328    HE2  PHE  42           HE1      PHE  42  -3.919  23.450 -13.500
  329    HZ   PHE  42           HZ       PHE  42  -5.585  24.477 -15.033
  330    HA   PRO  43           HA       PRO  43  -0.350  29.959 -12.982
  331    HB2  PRO  43           HB2      PRO  43   0.521  32.545 -13.104
  332    HB3  PRO  43           HB3      PRO  43  -0.286  31.713 -14.467
  333    HG2  PRO  43           HG2      PRO  43  -1.538  33.577 -12.430
  334    HG3  PRO  43           HG3      PRO  43  -1.712  33.606 -14.214
  335    HD2  PRO  43           HD2      PRO  43  -3.567  32.423 -12.594
  336    HD3  PRO  43           HD3      PRO  43  -3.158  31.739 -14.194
  337    H    PHE  44           H        PHE  44   1.458  30.018 -11.572
  338    HA   PHE  44           HA       PHE  44   1.302  31.481  -9.046
  339    HB2  PHE  44           HB2      PHE  44   1.519  29.555  -7.618
  340    HB3  PHE  44           HB3      PHE  44   0.002  29.485  -8.486
  341    HD1  PHE  44           HD1      PHE  44   3.464  28.084  -8.407
  342    HD2  PHE  44           HD2      PHE  44  -0.606  27.438  -9.593
  343    HE1  PHE  44           HE1      PHE  44   4.022  25.758  -8.956
  344    HE2  PHE  44           HE2      PHE  44  -0.047  25.107 -10.217
  345    HZ   PHE  44           HZ       PHE  44   2.263  24.246  -9.897
  346    H    MET  45           H        MET  45   3.430  31.128  -7.786
  347    HA   MET  45           HA       MET  45   5.651  31.063  -9.751
  348    HB2  MET  45           HB2      MET  45   5.382  32.967  -8.159
  349    HB3  MET  45           HB3      MET  45   5.494  31.841  -6.796
  350    HG2  MET  45           HG2      MET  45   7.795  31.221  -7.546
  351    HG3  MET  45           HG3      MET  45   7.664  32.408  -8.846
  352    HE1  MET  45           HE1      MET  45   9.917  33.518  -8.083
  353    HE2  MET  45           HE2      MET  45  10.313  33.852  -6.380
  354    HE3  MET  45           HE3      MET  45  10.002  32.180  -6.919
  355    H    GLY  46           H        GLY  46   7.414  29.495  -9.592
  356    HA2  GLY  46           HA2      GLY  46   7.514  27.820  -7.199
  357    HA3  GLY  46           HA3      GLY  46   7.143  26.958  -8.700
  358    H    LYS  47           H        LYS  47   9.334  26.268  -7.387
  359    HA   LYS  47           HA       LYS  47  11.584  27.426  -8.974
  360    HB2  LYS  47           HB2      LYS  47  11.796  27.052  -6.368
  361    HB3  LYS  47           HB3      LYS  47  11.824  25.342  -6.753
  362    HG2  LYS  47           HG2      LYS  47  14.101  25.952  -6.625
  363    HG3  LYS  47           HG3      LYS  47  13.777  25.859  -8.351
  364    HD2  LYS  47           HD2      LYS  47  15.081  27.824  -8.012
  365    HD3  LYS  47           HD3      LYS  47  13.442  28.401  -8.321
  366    HE2  LYS  47           HE2      LYS  47  13.055  28.821  -5.966
  367    HE3  LYS  47           HE3      LYS  47  14.559  28.009  -5.514
  368    HZ1  LYS  47           HZ1      LYS  47  15.804  29.767  -6.525
  369    HZ2  LYS  47           HZ2      LYS  47  14.481  30.481  -7.157
  370    HZ3  LYS  47           HZ3      LYS  47  14.717  30.461  -5.531
  371    H    TRP  48           H        TRP  48  12.177  26.276 -10.736
  372    HA   TRP  48           HA       TRP  48  11.099  23.556 -11.204
  373    HB2  TRP  48           HB2      TRP  48  11.117  25.259 -13.036
  374    HB3  TRP  48           HB3      TRP  48  12.858  25.363 -12.908
  375    HD1  TRP  48           HD1      TRP  48  12.161  21.815 -12.610
  376    HE1  TRP  48           HE1      TRP  48  12.372  20.571 -14.790
  377    HE3  TRP  48           HE3      TRP  48  12.057  25.820 -15.782
  378    HZ2  TRP  48           HZ2      TRP  48  12.507  21.219 -17.634
  379    HZ3  TRP  48           HZ3      TRP  48  12.163  25.469 -18.236
  380    HH2  TRP  48           HH2      TRP  48  12.401  23.178 -19.169
  381    H    LYS  49           H        LYS  49  12.209  22.097  -9.962
  382    HA   LYS  49           HA       LYS  49  15.086  22.313  -9.434
  383    HB2  LYS  49           HB2      LYS  49  12.770  20.678  -8.317
  384    HB3  LYS  49           HB3      LYS  49  14.444  20.156  -8.109
  385    HG2  LYS  49           HG2      LYS  49  15.043  22.271  -7.050
  386    HG3  LYS  49           HG3      LYS  49  13.380  22.866  -7.214
  387    HD2  LYS  49           HD2      LYS  49  12.540  21.234  -5.677
  388    HD3  LYS  49           HD3      LYS  49  14.041  20.279  -5.742
  389    HE2  LYS  49           HE2      LYS  49  15.306  22.066  -4.684
  390    HE3  LYS  49           HE3      LYS  49  13.888  23.129  -4.678
  391    HZ1  LYS  49           HZ1      LYS  49  14.087  20.585  -3.171
  392    HZ2  LYS  49           HZ2      LYS  49  14.212  22.080  -2.529
  393    HZ3  LYS  49           HZ3      LYS  49  12.787  21.597  -3.175
  394    H    LYS  50           H        LYS  50  15.333  22.173 -11.777
  395    HA   LYS  50           HA       LYS  50  14.366  19.913 -13.333
  396    HB2  LYS  50           HB2      LYS  50  15.106  22.140 -14.301
  397    HB3  LYS  50           HB3      LYS  50  16.769  21.692 -13.891
  398    HG2  LYS  50           HG2      LYS  50  16.333  19.529 -15.245
  399    HG3  LYS  50           HG3      LYS  50  14.866  20.295 -15.831
  400    HD2  LYS  50           HD2      LYS  50  16.089  22.009 -16.944
  401    HD3  LYS  50           HD3      LYS  50  17.594  21.632 -16.089
  402    HE2  LYS  50           HE2      LYS  50  16.196  19.700 -17.991
  403    HE3  LYS  50           HE3      LYS  50  17.477  20.805 -18.493
  404    HZ1  LYS  50           HZ1      LYS  50  17.836  18.718 -16.399
  405    HZ2  LYS  50           HZ2      LYS  50  18.311  18.584 -17.963
  406    HZ3  LYS  50           HZ3      LYS  50  18.994  19.707 -17.004
  407    H    LYS  51           H        LYS  51  15.073  17.780 -13.081
  408    HA   LYS  51           HA       LYS  51  17.453  17.134 -11.645
  409    HB2  LYS  51           HB2      LYS  51  15.301  15.726 -12.262
  410    HB3  LYS  51           HB3      LYS  51  16.191  15.335 -13.737
  411    HG2  LYS  51           HG2      LYS  51  18.075  14.466 -12.220
  412    HG3  LYS  51           HG3      LYS  51  17.026  14.807 -10.844
  413    HD2  LYS  51           HD2      LYS  51  16.869  12.479 -11.322
  414    HD3  LYS  51           HD3      LYS  51  15.338  13.204 -11.839
  415    HE2  LYS  51           HE2      LYS  51  16.148  13.224 -14.194
  416    HE3  LYS  51           HE3      LYS  51  17.707  12.580 -13.676
  417    HZ1  LYS  51           HZ1      LYS  51  16.270  10.844 -14.538
  418    HZ2  LYS  51           HZ2      LYS  51  16.561  10.559 -12.962
  419    HZ3  LYS  51           HZ3      LYS  51  15.115  11.157 -13.434
  420    H    SER  52           H        SER  52  19.317  16.016 -12.495
  421    HA   SER  52           HA       SER  52  20.999  15.476 -13.810
  422    HB2  SER  52           HB2      SER  52  19.238  16.033 -16.204
  423    HB3  SER  52           HB3      SER  52  20.705  15.041 -16.145
  424    HG   SER  52           HG       SER  52  18.817  13.772 -15.958
  425    H    ARG  53           H        ARG  53  21.239  17.868 -12.642
  426    HA   ARG  53           HA       ARG  53  22.258  19.954 -14.309
  427    HB2  ARG  53           HB2      ARG  53  21.971  20.239 -11.870
  428    HB3  ARG  53           HB3      ARG  53  23.126  18.968 -11.551
  429    HG2  ARG  53           HG2      ARG  53  24.942  20.303 -12.566
  430    HG3  ARG  53           HG3      ARG  53  23.813  21.616 -12.904
  431    HD2  ARG  53           HD2      ARG  53  24.211  20.529 -10.091
  432    HD3  ARG  53           HD3      ARG  53  25.362  21.675 -10.790
  433    HE   ARG  53           HE       ARG  53  23.120  23.033 -11.240
  434   HH11  ARG  53          HH21      ARG  53  24.349  21.486  -8.276
  435   HH12  ARG  53          HH22      ARG  53  23.618  22.626  -7.210
  436   HH21  ARG  53          HH11      ARG  53  22.072  24.495  -9.825
  437   HH22  ARG  53          HH12      ARG  53  22.316  24.387  -8.108
  438    H    LYS  54           H        LYS  54  23.825  17.009 -12.945
  439    HA   LYS  54           HA       LYS  54  25.625  16.914 -15.292
  440    HB2  LYS  54           HB2      LYS  54  26.762  18.250 -13.459
  441    HB3  LYS  54           HB3      LYS  54  26.706  16.807 -12.439
  442    HG2  LYS  54           HG2      LYS  54  28.069  15.585 -14.150
  443    HG3  LYS  54           HG3      LYS  54  28.097  17.051 -15.146
  444    HD2  LYS  54           HD2      LYS  54  29.291  18.260 -13.322
  445    HD3  LYS  54           HD3      LYS  54  29.196  16.816 -12.309
  446    HE2  LYS  54           HE2      LYS  54  31.404  16.901 -13.220
  447    HE3  LYS  54           HE3      LYS  54  30.553  15.553 -13.976
  448    HZ1  LYS  54           HZ1      LYS  54  30.227  16.954 -15.939
  449    HZ2  LYS  54           HZ2      LYS  54  30.990  18.212 -15.219
  450    HZ3  LYS  54           HZ3      LYS  54  31.811  16.855 -15.579
  451    H    THR  55           H        THR  55  24.723  15.318 -12.171
  452    HA   THR  55           HA       THR  55  24.756  12.667 -13.529
  453    HB   THR  55           HB       THR  55  25.900  11.947 -11.278
  454    HG1  THR  55           HG1      THR  55  25.918  13.881 -10.196
  455   HG21  THR  55          HG21      THR  55  27.524  13.470 -13.352
  456   HG22  THR  55          HG22      THR  55  28.116  12.235 -12.225
  457   HG23  THR  55          HG23      THR  55  26.972  11.788 -13.499
  458    H    SER  56           H        SER  56  22.414  13.434 -13.498
  459    HA   SER  56           HA       SER  56  20.323  13.530 -12.704
  460    HB2  SER  56           HB2      SER  56  21.198  11.432 -10.696
  461    HB3  SER  56           HB3      SER  56  19.553  11.757 -11.262
  462    HG   SER  56           HG       SER  56  20.571   9.988 -12.350
  463    H    THR  57           H        THR  57  22.582  15.144 -11.214
  464    HA   THR  57           HA       THR  57  21.552  15.758  -8.621
  465    HB   THR  57           HB       THR  57  23.226  17.777  -9.208
  466    HG1  THR  57           HG1      THR  57  24.717  17.174 -10.748
  467   HG21  THR  57          HG21      THR  57  24.122  14.873  -8.910
  468   HG22  THR  57          HG22      THR  57  25.123  16.307  -8.584
  469   HG23  THR  57          HG23      THR  57  23.698  15.980  -7.586
  470    H    ILE  58           H        ILE  58  20.522  17.800  -7.999
  471    HA   ILE  58           HA       ILE  58  18.542  18.682  -9.986
  472    HB   ILE  58           HB       ILE  58  19.039  19.304  -7.060
  473   HG12  ILE  58          HG12      ILE  58  18.259  16.996  -7.519
  474   HG13  ILE  58          HG13      ILE  58  17.118  17.938  -6.578
  475   HG21  ILE  58          HG21      ILE  58  16.757  20.336  -7.022
  476   HG22  ILE  58          HG22      ILE  58  17.954  21.266  -7.918
  477   HG23  ILE  58          HG23      ILE  58  16.768  20.303  -8.808
  478   HD11  ILE  58          HD11      ILE  58  16.859  17.309  -9.548
  479   HD12  ILE  58          HD12      ILE  58  15.992  16.521  -8.227
  480   HD13  ILE  58          HD13      ILE  58  15.684  18.225  -8.578
  481    H    GLU  59           H        GLU  59  18.391  20.614 -10.924
  482    HA   GLU  59           HA       GLU  59  20.373  22.754 -10.386
  483    HB2  GLU  59           HB2      GLU  59  20.652  21.741 -12.674
  484    HB3  GLU  59           HB3      GLU  59  18.949  22.033 -12.998
  485    HG2  GLU  59           HG2      GLU  59  20.414  23.736 -14.026
  486    HG3  GLU  59           HG3      GLU  59  19.298  24.447 -12.861
  487    H    GLU  60           H        GLU  60  19.299  24.905 -10.425
  488    HA   GLU  60           HA       GLU  60  16.378  24.690  -9.782
  489    HB2  GLU  60           HB2      GLU  60  18.581  26.095  -8.224
  490    HB3  GLU  60           HB3      GLU  60  16.846  26.323  -7.952
  491    HG2  GLU  60           HG2      GLU  60  16.595  23.890  -7.542
  492    HG3  GLU  60           HG3      GLU  60  18.343  23.684  -7.712
  493    H    LYS  61           H        LYS  61  15.153  26.014 -10.936
  494    HA   LYS  61           HA       LYS  61  16.284  28.655 -11.831
  495    HB2  LYS  61           HB2      LYS  61  16.229  26.863 -13.621
  496    HB3  LYS  61           HB3      LYS  61  14.481  26.757 -13.403
  497    HG2  LYS  61           HG2      LYS  61  14.364  29.244 -13.997
  498    HG3  LYS  61           HG3      LYS  61  16.079  29.140 -14.410
  499    HD2  LYS  61           HD2      LYS  61  13.739  27.702 -15.725
  500    HD3  LYS  61           HD3      LYS  61  14.791  28.935 -16.430
  501    HE2  LYS  61           HE2      LYS  61  16.729  27.305 -16.171
  502    HE3  LYS  61           HE3      LYS  61  15.557  26.076 -15.669
  503    HZ1  LYS  61           HZ1      LYS  61  16.071  25.919 -18.021
  504    HZ2  LYS  61           HZ2      LYS  61  14.496  26.296 -17.840
  505    HZ3  LYS  61           HZ3      LYS  61  15.576  27.443 -18.302
  506    H    THR  62           H        THR  62  14.824  30.361 -11.439
  507    HA   THR  62           HA       THR  62  12.430  29.641  -9.855
  508    HB   THR  62           HB       THR  62  13.637  32.388 -10.382
  509    HG1  THR  62           HG1      THR  62  15.236  31.351  -9.354
  510   HG21  THR  62          HG21      THR  62  11.884  31.264  -8.147
  511   HG22  THR  62          HG22      THR  62  12.544  32.918  -8.230
  512   HG23  THR  62          HG23      THR  62  11.362  32.376  -9.433
  513    H    VAL  63           H        VAL  63  10.376  29.695 -10.752
  514    HA   VAL  63           HA       VAL  63  10.107  30.992 -13.403
  515    HB   VAL  63           HB       VAL  63   9.103  28.981 -14.326
  516   HG11  VAL  63          HG11      VAL  63  11.863  28.274 -13.268
  517   HG12  VAL  63          HG12      VAL  63  11.057  27.650 -14.718
  518   HG13  VAL  63          HG13      VAL  63  11.543  29.345 -14.649
  519   HG21  VAL  63          HG21      VAL  63   9.988  27.493 -11.814
  520   HG22  VAL  63          HG22      VAL  63   8.306  27.869 -12.240
  521   HG23  VAL  63          HG23      VAL  63   9.251  26.793 -13.269
  522    H    GLU  64           H        GLU  64   8.040  31.357 -14.082
  523    HA   GLU  64           HA       GLU  64   5.899  31.337 -11.999
  524    HB2  GLU  64           HB2      GLU  64   6.413  33.540 -13.051
  525    HB3  GLU  64           HB3      GLU  64   6.042  32.860 -14.643
  526    HG2  GLU  64           HG2      GLU  64   3.724  32.406 -13.944
  527    HG3  GLU  64           HG3      GLU  64   4.094  32.888 -12.290
  528    H    VAL  65           H        VAL  65   4.524  29.684 -12.197
  529    HA   VAL  65           HA       VAL  65   4.580  27.874 -14.517
  530    HB   VAL  65           HB       VAL  65   3.133  27.725 -11.819
  531   HG11  VAL  65          HG11      VAL  65   2.881  25.298 -12.427
  532   HG12  VAL  65          HG12      VAL  65   1.968  26.385 -13.477
  533   HG13  VAL  65          HG13      VAL  65   3.503  25.697 -14.045
  534   HG21  VAL  65          HG21      VAL  65   5.749  26.456 -12.745
  535   HG22  VAL  65          HG22      VAL  65   5.524  27.600 -11.407
  536   HG23  VAL  65          HG23      VAL  65   4.863  25.969 -11.291
  537    H    LEU  66           H        LEU  66   3.237  28.415 -16.177
  538    HA   LEU  66           HA       LEU  66   1.149  30.408 -15.772
  539    HB2  LEU  66           HB2      LEU  66   1.804  28.744 -18.246
  540    HB3  LEU  66           HB3      LEU  66   0.693  30.091 -18.165
  541    HG   LEU  66           HG       LEU  66   2.536  31.021 -19.154
  542   HD11  LEU  66          HD11      LEU  66   3.483  32.661 -17.645
  543   HD12  LEU  66          HD12      LEU  66   1.784  32.403 -17.215
  544   HD13  LEU  66          HD13      LEU  66   3.078  31.678 -16.227
  545   HD21  LEU  66          HD21      LEU  66   4.430  29.782 -17.132
  546   HD22  LEU  66          HD22      LEU  66   4.109  29.145 -18.762
  547   HD23  LEU  66          HD23      LEU  66   4.843  30.742 -18.555
  548    H    GLY  67           H        GLY  67   1.253  26.847 -16.246
  549    HA2  GLY  67           HA2      GLY  67  -1.049  26.212 -14.949
  550    HA3  GLY  67           HA3      GLY  67  -1.565  26.528 -16.622
  551    H    MET  68           H        MET  68  -2.003  24.099 -16.040
  552    HA   MET  68           HA       MET  68   0.149  22.190 -16.326
  553    HB2  MET  68           HB2      MET  68  -2.836  22.001 -16.919
  554    HB3  MET  68           HB3      MET  68  -1.721  20.644 -17.060
  555    HG2  MET  68           HG2      MET  68  -2.158  22.200 -14.489
  556    HG3  MET  68           HG3      MET  68  -3.037  20.737 -14.913
  557    HE1  MET  68           HE1      MET  68  -0.935  18.677 -16.096
  558    HE2  MET  68           HE2      MET  68  -0.487  17.884 -14.573
  559    HE3  MET  68           HE3      MET  68  -2.174  18.365 -14.852
  560    H    ALA  69           H        ALA  69   0.797  21.048 -18.120
  561    HA   ALA  69           HA       ALA  69   0.929  22.409 -20.678
  562    HB1  ALA  69           HB1      ALA  69   2.684  20.864 -19.775
  563    HB2  ALA  69           HB2      ALA  69   1.499  19.532 -19.852
  564    HB3  ALA  69           HB3      ALA  69   2.076  20.294 -21.335
  565    HA   PRO  70           HA       PRO  70  -2.793  20.685 -22.505
  566    HB2  PRO  70           HB2      PRO  70  -1.973  19.658 -24.955
  567    HB3  PRO  70           HB3      PRO  70  -2.271  21.389 -24.613
  568    HG2  PRO  70           HG2      PRO  70   0.366  19.903 -24.579
  569    HG3  PRO  70           HG3      PRO  70  -0.005  21.487 -25.334
  570    HD2  PRO  70           HD2      PRO  70   1.196  21.353 -22.927
  571    HD3  PRO  70           HD3      PRO  70  -0.071  22.573 -23.220
  572    H    ASP  71           H        ASP  71  -3.858  18.690 -22.952
  573    HA   ASP  71           HA       ASP  71  -3.158  16.639 -21.231
  574    HB2  ASP  71           HB2      ASP  71  -5.041  15.520 -21.956
  575    HB3  ASP  71           HB3      ASP  71  -5.436  17.196 -22.299
  576    H    ASP  72           H        ASP  72  -2.299  16.995 -24.640
  577    HA   ASP  72           HA       ASP  72  -1.590  14.315 -25.199
  578    HB2  ASP  72           HB2      ASP  72  -1.985  16.035 -26.915
  579    HB3  ASP  72           HB3      ASP  72  -0.539  16.905 -26.394
  580    H    GLU  73           H        GLU  73   0.151  16.818 -23.452
  581    HA   GLU  73           HA       GLU  73   2.748  15.396 -23.571
  582    HB2  GLU  73           HB2      GLU  73   1.776  17.795 -21.950
  583    HB3  GLU  73           HB3      GLU  73   3.402  17.133 -21.865
  584    HG2  GLU  73           HG2      GLU  73   2.134  18.297 -24.383
  585    HG3  GLU  73           HG3      GLU  73   3.224  19.154 -23.304
  586    H    CYS  74           H        CYS  74  -0.114  15.718 -21.511
  587    HA   CYS  74           HA       CYS  74   1.214  14.689 -19.143
  588    HB2  CYS  74           HB2      CYS  74  -1.692  15.448 -19.636
  589    HB3  CYS  74           HB3      CYS  74  -0.949  15.095 -18.067
  590    HG   CYS  74           HG       CYS  74  -0.327  17.534 -20.221
  591    H    LEU  75           H        LEU  75   1.230  12.789 -21.294
  592    HA   LEU  75           HA       LEU  75  -0.891  10.833 -20.709
  593    HB2  LEU  75           HB2      LEU  75   0.920  11.431 -22.959
  594    HB3  LEU  75           HB3      LEU  75   0.951   9.731 -22.570
  595    HG   LEU  75           HG       LEU  75  -0.650  10.160 -24.281
  596   HD11  LEU  75          HD11      LEU  75  -1.142   8.344 -22.638
  597   HD12  LEU  75          HD12      LEU  75  -2.197   9.461 -21.746
  598   HD13  LEU  75          HD13      LEU  75  -2.588   9.011 -23.413
  599   HD21  LEU  75          HD21      LEU  75  -1.236  12.468 -23.785
  600   HD22  LEU  75          HD22      LEU  75  -2.696  11.479 -23.940
  601   HD23  LEU  75          HD23      LEU  75  -2.116  11.975 -22.335
  602    H    LYS  76           H        LYS  76   2.434  11.297 -19.825
  603    HA   LYS  76           HA       LYS  76   2.563   8.540 -18.657
  604    HB2  LYS  76           HB2      LYS  76   4.755   9.942 -20.235
  605    HB3  LYS  76           HB3      LYS  76   4.914   8.397 -19.391
  606    HG2  LYS  76           HG2      LYS  76   3.079   7.462 -20.842
  607    HG3  LYS  76           HG3      LYS  76   3.110   8.961 -21.781
  608    HD2  LYS  76           HD2      LYS  76   5.457   7.050 -21.420
  609    HD3  LYS  76           HD3      LYS  76   4.397   7.130 -22.835
  610    HE2  LYS  76           HE2      LYS  76   5.094   9.493 -23.221
  611    HE3  LYS  76           HE3      LYS  76   6.189   9.391 -21.836
  612    HZ1  LYS  76           HZ1      LYS  76   6.394   7.744 -24.291
  613    HZ2  LYS  76           HZ2      LYS  76   7.353   9.003 -23.909
  614    HZ3  LYS  76           HZ3      LYS  76   7.404   7.647 -23.008
  615    H    ASP  77           H        ASP  77   3.085  11.903 -18.193
  616    HA   ASP  77           HA       ASP  77   3.953  11.600 -15.469
  617    HB2  ASP  77           HB2      ASP  77   6.083  11.603 -17.037
  618    HB3  ASP  77           HB3      ASP  77   5.697  13.298 -17.285
  619    H    MET  78           H        MET  78   3.905  14.045 -14.636
  620    HA   MET  78           HA       MET  78   1.599  15.383 -16.028
  621    HB2  MET  78           HB2      MET  78   2.629  15.546 -13.169
  622    HB3  MET  78           HB3      MET  78   1.442  16.666 -13.843
  623    HG2  MET  78           HG2      MET  78   1.087  13.648 -13.662
  624    HG3  MET  78           HG3      MET  78   0.423  14.824 -12.544
  625    HE1  MET  78           HE1      MET  78  -1.505  13.255 -16.305
  626    HE2  MET  78           HE2      MET  78   0.256  13.447 -16.294
  627    HE3  MET  78           HE3      MET  78  -0.539  12.456 -15.051
  628    H    TYR  79           H        TYR  79   1.887  17.529 -16.761
  629    HA   TYR  79           HA       TYR  79   4.612  18.675 -16.486
  630    HB2  TYR  79           HB2      TYR  79   3.078  18.224 -19.068
  631    HB3  TYR  79           HB3      TYR  79   4.509  19.227 -18.929
  632    HD1  TYR  79           HD1      TYR  79   3.207  15.776 -18.930
  633    HD2  TYR  79           HD2      TYR  79   6.742  18.242 -18.832
  634    HE1  TYR  79           HE1      TYR  79   4.569  13.820 -19.534
  635    HE2  TYR  79           HE2      TYR  79   8.127  16.279 -19.451
  636    HH   TYR  79           HH       TYR  79   6.701  13.005 -19.952
  637    H    VAL  80           H        VAL  80   4.732  20.895 -16.994
  638    HA   VAL  80           HA       VAL  80   2.221  22.471 -16.937
  639    HB   VAL  80           HB       VAL  80   3.476  23.887 -15.187
  640   HG11  VAL  80          HG11      VAL  80   2.249  21.243 -14.326
  641   HG12  VAL  80          HG12      VAL  80   2.478  22.685 -13.304
  642   HG13  VAL  80          HG13      VAL  80   1.386  22.760 -14.674
  643   HG21  VAL  80          HG21      VAL  80   5.637  22.623 -15.208
  644   HG22  VAL  80          HG22      VAL  80   4.916  22.763 -13.598
  645   HG23  VAL  80          HG23      VAL  80   4.805  21.232 -14.486
  646    H    GLU  81           H        GLU  81   2.452  24.508 -17.821
  647    HA   GLU  81           HA       GLU  81   4.857  24.987 -19.494
  648    HB2  GLU  81           HB2      GLU  81   2.209  26.481 -19.198
  649    HB3  GLU  81           HB3      GLU  81   3.560  27.008 -20.216
  650    HG2  GLU  81           HG2      GLU  81   3.422  24.826 -21.458
  651    HG3  GLU  81           HG3      GLU  81   1.985  24.417 -20.520
  652    H    VAL  82           H        VAL  82   6.412  26.470 -18.831
  653    HA   VAL  82           HA       VAL  82   5.871  28.114 -16.430
  654    HB   VAL  82           HB       VAL  82   7.776  27.366 -15.245
  655   HG11  VAL  82          HG11      VAL  82   6.414  24.803 -16.138
  656   HG12  VAL  82          HG12      VAL  82   7.209  25.131 -14.590
  657   HG13  VAL  82          HG13      VAL  82   5.705  25.965 -15.006
  658   HG21  VAL  82          HG21      VAL  82   9.225  25.481 -15.937
  659   HG22  VAL  82          HG22      VAL  82   8.427  25.453 -17.526
  660   HG23  VAL  82          HG23      VAL  82   9.383  26.866 -17.015
  661    H    ALA  83           H        ALA  83   7.233  29.996 -16.288
  662    HA   ALA  83           HA       ALA  83   9.013  30.487 -18.644
  663    HB1  ALA  83           HB1      ALA  83   6.891  31.659 -19.021
  664    HB2  ALA  83           HB2      ALA  83   6.974  32.383 -17.396
  665    HB3  ALA  83           HB3      ALA  83   8.167  32.819 -18.636
  666    H    ASP  84           H        ASP  84  10.909  31.511 -18.149
  667    HA   ASP  84           HA       ASP  84  11.837  31.345 -15.419
  668    HB2  ASP  84           HB2      ASP  84  13.416  30.923 -17.166
  669    HB3  ASP  84           HB3      ASP  84  12.987  32.428 -17.998
  670    H    ILE  85           H        ILE  85  11.683  32.794 -13.840
  671    HA   ILE  85           HA       ILE  85  10.567  35.447 -14.350
  672    HB   ILE  85           HB       ILE  85  11.480  34.018 -11.840
  673   HG12  ILE  85          HG12      ILE  85   8.702  34.772 -12.882
  674   HG13  ILE  85          HG13      ILE  85   9.415  33.175 -13.009
  675   HG21  ILE  85          HG21      ILE  85  10.020  36.687 -12.017
  676   HG22  ILE  85          HG22      ILE  85  10.416  35.807 -10.525
  677   HG23  ILE  85          HG23      ILE  85  11.710  36.478 -11.487
  678   HD11  ILE  85          HD11      ILE  85   7.845  33.196 -11.173
  679   HD12  ILE  85          HD12      ILE  85   9.481  32.995 -10.529
  680   HD13  ILE  85          HD13      ILE  85   8.638  34.563 -10.411
  681    H    GLY  86           H        GLY  86  13.798  34.052 -14.151
  682    HA2  GLY  86           HA2      GLY  86  15.285  36.217 -13.128
  683    HA3  GLY  86           HA3      GLY  86  15.868  34.954 -14.226
  684    H    GLY  87           H        GLY  87  14.454  35.411 -16.553
  685    HA2  GLY  87           HA2      GLY  87  14.051  38.135 -17.293
  686    HA3  GLY  87           HA3      GLY  87  15.693  37.651 -17.750
  687    H    LYS  88           H        LYS  88  14.638  34.758 -18.285
  688    HA   LYS  88           HA       LYS  88  13.996  35.315 -21.098
  689    HB2  LYS  88           HB2      LYS  88  14.415  32.654 -19.677
  690    HB3  LYS  88           HB3      LYS  88  14.328  32.907 -21.414
  691    HG2  LYS  88           HG2      LYS  88  16.511  33.942 -19.557
  692    HG3  LYS  88           HG3      LYS  88  16.623  32.584 -20.675
  693    HD2  LYS  88           HD2      LYS  88  16.242  34.148 -22.593
  694    HD3  LYS  88           HD3      LYS  88  16.242  35.511 -21.449
  695    HE2  LYS  88           HE2      LYS  88  18.529  34.895 -20.711
  696    HE3  LYS  88           HE3      LYS  88  18.536  33.541 -21.848
  697    HZ1  LYS  88           HZ1      LYS  88  18.360  35.145 -23.660
  698    HZ2  LYS  88           HZ2      LYS  88  18.353  36.400 -22.610
  699    HZ3  LYS  88           HZ3      LYS  88  19.675  35.461 -22.755
  700    H    ASP  89           H        ASP  89  11.960  36.150 -19.304
  701    HA   ASP  89           HA       ASP  89   9.793  34.354 -18.992
  702    HB2  ASP  89           HB2      ASP  89   9.909  36.480 -17.822
  703    HB3  ASP  89           HB3      ASP  89   9.905  37.370 -19.345
  704    H    ASP  90           H        ASP  90  10.876  36.274 -21.758
  705    HA   ASP  90           HA       ASP  90   8.540  36.049 -23.386
  706    HB2  ASP  90           HB2      ASP  90  10.307  37.752 -23.666
  707    HB3  ASP  90           HB3      ASP  90  11.461  36.493 -24.111
  708    H    ASP  91           H        ASP  91  10.830  33.629 -22.506
  709    HA   ASP  91           HA       ASP  91  10.274  32.004 -24.948
  710    HB2  ASP  91           HB2      ASP  91  12.542  32.857 -24.998
  711    HB3  ASP  91           HB3      ASP  91  12.843  32.229 -23.372
  712    H    VAL  92           H        VAL  92   8.433  31.518 -23.555
  713    HA   VAL  92           HA       VAL  92   8.516  30.171 -21.109
  714    HB   VAL  92           HB       VAL  92   6.484  29.720 -23.314
  715   HG11  VAL  92          HG11      VAL  92   6.095  28.292 -21.366
  716   HG12  VAL  92          HG12      VAL  92   6.193  29.701 -20.288
  717   HG13  VAL  92          HG13      VAL  92   4.858  29.539 -21.447
  718   HG21  VAL  92          HG21      VAL  92   6.657  32.069 -21.375
  719   HG22  VAL  92          HG22      VAL  92   6.700  32.148 -23.150
  720   HG23  VAL  92          HG23      VAL  92   5.220  31.667 -22.337
  721    H    TYR  93           H        TYR  93   8.336  27.980 -20.568
  722    HA   TYR  93           HA       TYR  93   9.419  25.967 -22.481
  723    HB2  TYR  93           HB2      TYR  93   9.948  26.138 -19.491
  724    HB3  TYR  93           HB3      TYR  93  10.719  25.070 -20.641
  725    HD1  TYR  93           HD1      TYR  93  12.352  26.043 -22.356
  726    HD2  TYR  93           HD2      TYR  93  10.867  28.259 -18.963
  727    HE1  TYR  93           HE1      TYR  93  14.304  27.565 -22.500
  728    HE2  TYR  93           HE2      TYR  93  12.812  29.782 -19.098
  729    HH   TYR  93           HH       TYR  93  14.812  30.273 -20.191
  730    H    THR  94           H        THR  94   9.158  23.767 -21.338
  731    HA   THR  94           HA       THR  94   6.641  23.526 -19.764
  732    HB   THR  94           HB       THR  94   7.375  21.459 -21.856
  733    HG1  THR  94           HG1      THR  94   6.937  23.396 -22.943
  734   HG21  THR  94          HG21      THR  94   5.833  20.783 -20.037
  735   HG22  THR  94          HG22      THR  94   4.753  22.135 -20.447
  736   HG23  THR  94          HG23      THR  94   5.016  20.811 -21.607
  737    H    ALA  95           H        ALA  95   6.893  22.225 -18.025
  738    HA   ALA  95           HA       ALA  95   9.488  20.804 -17.622
  739    HB1  ALA  95           HB1      ALA  95   9.559  23.015 -16.494
  740    HB2  ALA  95           HB2      ALA  95   8.019  22.661 -15.682
  741    HB3  ALA  95           HB3      ALA  95   9.459  21.703 -15.301
  742    H    LYS  96           H        LYS  96   9.273  19.081 -16.020
  743    HA   LYS  96           HA       LYS  96   6.645  17.758 -16.002
  744    HB2  LYS  96           HB2      LYS  96   9.282  17.155 -14.589
  745    HB3  LYS  96           HB3      LYS  96   7.819  16.174 -14.466
  746    HG2  LYS  96           HG2      LYS  96   7.893  15.461 -16.692
  747    HG3  LYS  96           HG3      LYS  96   9.074  16.690 -17.179
  748    HD2  LYS  96           HD2      LYS  96   9.735  14.607 -15.074
  749    HD3  LYS  96           HD3      LYS  96   9.914  14.254 -16.801
  750    HE2  LYS  96           HE2      LYS  96  11.617  15.808 -17.127
  751    HE3  LYS  96           HE3      LYS  96  11.145  16.794 -15.740
  752    HZ1  LYS  96           HZ1      LYS  96  12.052  15.252 -14.257
  753    HZ2  LYS  96           HZ2      LYS  96  12.360  14.119 -15.438
  754    HZ3  LYS  96           HZ3      LYS  96  13.192  15.534 -15.378
  755    H    LEU  97           H        LEU  97   5.241  17.891 -14.268
  756    HA   LEU  97           HA       LEU  97   5.557  19.912 -12.239
  757    HB2  LEU  97           HB2      LEU  97   3.351  18.921 -13.029
  758    HB3  LEU  97           HB3      LEU  97   3.781  17.438 -12.170
  759    HG   LEU  97           HG       LEU  97   3.856  18.740 -10.013
  760   HD11  LEU  97          HD11      LEU  97   2.748  21.034 -10.057
  761   HD12  LEU  97          HD12      LEU  97   4.348  21.000 -10.787
  762   HD13  LEU  97          HD13      LEU  97   2.897  21.010 -11.814
  763   HD21  LEU  97          HD21      LEU  97   1.256  19.000 -11.571
  764   HD22  LEU  97          HD22      LEU  97   1.823  17.541 -10.720
  765   HD23  LEU  97          HD23      LEU  97   1.430  19.000  -9.801
  766    H    SER  98           H        SER  98   6.458  16.552 -12.611
  767    HA   SER  98           HA       SER  98   7.195  15.781 -10.016
  768    HB2  SER  98           HB2      SER  98   8.359  15.046 -12.739
  769    HB3  SER  98           HB3      SER  98   8.455  14.072 -11.272
  770    HG   SER  98           HG       SER  98   6.475  14.009 -13.022
  771    H    ASP  99           H        ASP  99   8.676  18.093 -12.088
  772    HA   ASP  99           HA       ASP  99  11.210  18.134 -10.513
  773    HB2  ASP  99           HB2      ASP  99  10.603  18.840 -13.407
  774    HB3  ASP  99           HB3      ASP  99  12.008  19.477 -12.580
  775    H    ILE 100           H        ILE 100   8.323  19.523 -10.218
  776    HA   ILE 100           HA       ILE 100   9.378  22.302  -9.931
  777    HB   ILE 100           HB       ILE 100   6.817  21.223 -11.014
  778   HG12  ILE 100          HG12      ILE 100   8.840  22.217 -12.276
  779   HG13  ILE 100          HG13      ILE 100   7.206  22.661 -12.772
  780   HG21  ILE 100          HG21      ILE 100   5.845  22.495  -9.212
  781   HG22  ILE 100          HG22      ILE 100   6.847  23.912  -9.590
  782   HG23  ILE 100          HG23      ILE 100   5.608  23.354 -10.734
  783   HD11  ILE 100          HD11      ILE 100   8.849  24.527 -12.777
  784   HD12  ILE 100          HD12      ILE 100   7.412  24.846 -11.796
  785   HD13  ILE 100          HD13      ILE 100   8.943  24.412 -11.006
  786    H    GLU 101           H        GLU 101   8.879  23.409  -8.171
  787    HA   GLU 101           HA       GLU 101   7.401  22.116  -5.936
  788    HB2  GLU 101           HB2      GLU 101   9.856  21.815  -5.603
  789    HB3  GLU 101           HB3      GLU 101  10.089  23.561  -5.741
  790    HG2  GLU 101           HG2      GLU 101   8.577  23.871  -3.752
  791    HG3  GLU 101           HG3      GLU 101   8.452  22.115  -3.609
  792    H    ALA 102           H        ALA 102   5.646  23.486  -5.686
  793    HA   ALA 102           HA       ALA 102   5.673  26.163  -6.789
  794    HB1  ALA 102           HB1      ALA 102   3.673  24.792  -4.943
  795    HB2  ALA 102           HB2      ALA 102   3.441  26.353  -5.768
  796    HB3  ALA 102           HB3      ALA 102   3.596  24.890  -6.722
  797    H    ILE 103           H        ILE 103   5.556  28.096  -5.726
  798    HA   ILE 103           HA       ILE 103   6.599  28.215  -2.926
  799    HB   ILE 103           HB       ILE 103   7.094  30.016  -5.323
  800   HG12  ILE 103          HG12      ILE 103   9.126  28.420  -3.691
  801   HG13  ILE 103          HG13      ILE 103   8.425  27.820  -5.183
  802   HG21  ILE 103          HG21      ILE 103   8.118  30.327  -2.466
  803   HG22  ILE 103          HG22      ILE 103   8.549  31.358  -3.849
  804   HG23  ILE 103          HG23      ILE 103   6.903  31.363  -3.245
  805   HD11  ILE 103          HD11      ILE 103  10.171  30.294  -4.918
  806   HD12  ILE 103          HD12      ILE 103  10.555  28.766  -5.708
  807   HD13  ILE 103          HD13      ILE 103   9.314  29.815  -6.405
  808    H    ASP 104           H        ASP 104   5.388  29.301  -1.538
  809    HA   ASP 104           HA       ASP 104   3.619  30.295  -0.579
  810    HB2  ASP 104           HB2      ASP 104   5.220  32.081  -1.139
  811    HB3  ASP 104           HB3      ASP 104   4.332  32.412  -2.627
  812    H    VAL 105           H        VAL 105   2.629  28.424  -2.399
  813    HA   VAL 105           HA       VAL 105   0.487  29.754  -3.915
  814    HB   VAL 105           HB       VAL 105   2.085  28.011  -4.835
  815   HG11  VAL 105          HG11      VAL 105   1.415  25.636  -4.641
  816   HG12  VAL 105          HG12      VAL 105   2.080  26.301  -3.139
  817   HG13  VAL 105          HG13      VAL 105   0.339  26.061  -3.319
  818   HG21  VAL 105          HG21      VAL 105   0.077  28.875  -5.947
  819   HG22  VAL 105          HG22      VAL 105   0.568  27.246  -6.410
  820   HG23  VAL 105          HG23      VAL 105  -0.832  27.486  -5.334
  821    H    ASP 106           H        ASP 106  -1.710  28.371  -3.914
  822    HA   ASP 106           HA       ASP 106  -2.809  28.611  -1.262
  823    HB2  ASP 106           HB2      ASP 106  -4.125  28.873  -3.428
  824    HB3  ASP 106           HB3      ASP 106  -3.995  27.103  -3.585
  825    H    ASP 107           H        ASP 107  -3.960  26.830  -0.285
  826    HA   ASP 107           HA       ASP 107  -2.047  24.829   0.563
  827    HB2  ASP 107           HB2      ASP 107  -3.664  25.768   2.132
  828    HB3  ASP 107           HB3      ASP 107  -5.011  25.180   1.153
  829    H    ASP 108           H        ASP 108  -5.013  24.767  -1.514
  830    HA   ASP 108           HA       ASP 108  -4.978  21.886  -1.663
  831    HB2  ASP 108           HB2      ASP 108  -6.939  23.578  -1.925
  832    HB3  ASP 108           HB3      ASP 108  -6.396  23.740  -3.595
  833    H    THR 109           H        THR 109  -3.428  24.469  -3.452
  834    HA   THR 109           HA       THR 109  -2.721  22.890  -5.822
  835    HB   THR 109           HB       THR 109  -1.476  25.477  -4.723
  836    HG1  THR 109           HG1      THR 109  -3.780  25.560  -5.180
  837   HG21  THR 109          HG21      THR 109  -0.047  24.549  -6.454
  838   HG22  THR 109          HG22      THR 109  -1.459  24.239  -7.497
  839   HG23  THR 109          HG23      THR 109  -0.989  25.880  -7.153
  840    H    GLN 110           H        GLN 110  -1.131  23.962  -2.746
  841    HA   GLN 110           HA       GLN 110   1.308  22.638  -3.275
  842    HB2  GLN 110           HB2      GLN 110   0.314  24.350  -1.310
  843    HB3  GLN 110           HB3      GLN 110   0.569  22.877  -0.395
  844    HG2  GLN 110           HG2      GLN 110   2.736  23.992  -2.229
  845    HG3  GLN 110           HG3      GLN 110   2.445  24.696  -0.648
  846   HE21  GLN 110          HE22      GLN 110   2.712  21.236  -1.872
  847   HE22  GLN 110          HE21      GLN 110   3.900  20.807  -0.671
  848    H    GLU 111           H        GLU 111  -1.664  21.508  -1.575
  849    HA   GLU 111           HA       GLU 111  -0.623  18.973  -0.826
  850    HB2  GLU 111           HB2      GLU 111  -3.431  20.020  -1.338
  851    HB3  GLU 111           HB3      GLU 111  -3.150  18.341  -0.886
  852    HG2  GLU 111           HG2      GLU 111  -2.180  20.701   0.765
  853    HG3  GLU 111           HG3      GLU 111  -3.714  19.872   1.024
  854    H    ALA 112           H        ALA 112  -2.335  19.964  -3.867
  855    HA   ALA 112           HA       ALA 112  -2.449  17.324  -4.933
  856    HB1  ALA 112           HB1      ALA 112  -3.751  19.183  -5.827
  857    HB2  ALA 112           HB2      ALA 112  -2.270  20.029  -6.327
  858    HB3  ALA 112           HB3      ALA 112  -2.729  18.495  -7.107
  859    H    ILE 113           H        ILE 113   0.060  19.882  -5.152
  860    HA   ILE 113           HA       ILE 113   1.822  18.444  -6.880
  861    HB   ILE 113           HB       ILE 113   2.178  20.699  -4.889
  862   HG12  ILE 113          HG12      ILE 113   2.359  20.698  -7.928
  863   HG13  ILE 113          HG13      ILE 113   0.827  20.907  -7.091
  864   HG21  ILE 113          HG21      ILE 113   4.352  19.623  -4.986
  865   HG22  ILE 113          HG22      ILE 113   4.293  19.552  -6.764
  866   HG23  ILE 113          HG23      ILE 113   4.429  21.109  -5.918
  867   HD11  ILE 113          HD11      ILE 113   1.653  23.077  -7.630
  868   HD12  ILE 113          HD12      ILE 113   1.730  22.851  -5.870
  869   HD13  ILE 113          HD13      ILE 113   3.215  22.732  -6.860
  870    H    ALA 114           H        ALA 114   1.726  18.682  -3.265
  871    HA   ALA 114           HA       ALA 114   3.972  17.042  -2.804
  872    HB1  ALA 114           HB1      ALA 114   3.042  16.792  -0.534
  873    HB2  ALA 114           HB2      ALA 114   2.945  18.476  -1.076
  874    HB3  ALA 114           HB3      ALA 114   1.488  17.455  -1.075
  875    H    ASP 115           H        ASP 115   0.479  16.217  -3.013
  876    HA   ASP 115           HA       ASP 115   0.694  13.459  -2.467
  877    HB2  ASP 115           HB2      ASP 115  -1.394  14.794  -2.472
  878    HB3  ASP 115           HB3      ASP 115  -1.314  14.911  -4.232
  879    H    TRP 116           H        TRP 116   0.952  15.245  -5.569
  880    HA   TRP 116           HA       TRP 116   1.204  12.885  -7.219
  881    HB2  TRP 116           HB2      TRP 116   0.558  14.939  -8.284
  882    HB3  TRP 116           HB3      TRP 116   1.949  15.802  -7.632
  883    HD1  TRP 116           HD1      TRP 116   4.072  15.874  -9.054
  884    HE1  TRP 116           HE1      TRP 116   4.996  14.651 -11.117
  885    HE3  TRP 116           HE3      TRP 116   0.317  12.462  -9.756
  886    HZ2  TRP 116           HZ2      TRP 116   4.209  12.506 -12.848
  887    HZ3  TRP 116           HZ3      TRP 116   0.428  10.846 -11.626
  888    HH2  TRP 116           HH2      TRP 116   2.382  10.845 -13.172
  889    H    LEU 117           H        LEU 117   3.576  15.086  -5.596
  890    HA   LEU 117           HA       LEU 117   5.864  13.850  -6.736
  891    HB2  LEU 117           HB2      LEU 117   5.461  15.508  -4.230
  892    HB3  LEU 117           HB3      LEU 117   7.044  14.905  -4.702
  893    HG   LEU 117           HG       LEU 117   5.340  16.642  -6.541
  894   HD11  LEU 117          HD11      LEU 117   7.606  17.465  -4.677
  895   HD12  LEU 117          HD12      LEU 117   6.768  18.512  -5.847
  896   HD13  LEU 117          HD13      LEU 117   5.884  17.848  -4.463
  897   HD21  LEU 117          HD21      LEU 117   8.296  15.909  -6.616
  898   HD22  LEU 117          HD22      LEU 117   7.043  15.340  -7.738
  899   HD23  LEU 117          HD23      LEU 117   7.474  17.051  -7.702
  900    H    TYR 118           H        TYR 118   4.007  13.039  -3.759
  901    HA   TYR 118           HA       TYR 118   5.847  11.039  -2.863
  902    HB2  TYR 118           HB2      TYR 118   2.820  10.985  -2.590
  903    HB3  TYR 118           HB3      TYR 118   3.982  10.104  -1.612
  904    HD1  TYR 118           HD2      TYR 118   5.973  12.475  -1.145
  905    HD2  TYR 118           HD1      TYR 118   1.676  12.145  -0.883
  906    HE1  TYR 118           HE2      TYR 118   5.953  14.270   0.518
  907    HE2  TYR 118           HE1      TYR 118   1.632  14.034   0.706
  908    HH   TYR 118           HH       TYR 118   4.633  15.626   1.898
  909    H    TRP 119           H        TRP 119   2.921  10.769  -4.964
  910    HA   TRP 119           HA       TRP 119   3.164   8.006  -5.527
  911    HB2  TRP 119           HB2      TRP 119   1.145   9.120  -5.919
  912    HB3  TRP 119           HB3      TRP 119   1.895  10.394  -6.860
  913    HD1  TRP 119           HD1      TRP 119   2.346  10.019  -9.395
  914    HE1  TRP 119           HE1      TRP 119   1.370   8.433 -11.110
  915    HE3  TRP 119           HE3      TRP 119   0.401   6.510  -6.209
  916    HZ2  TRP 119           HZ2      TRP 119  -0.435   6.103 -11.097
  917    HZ3  TRP 119           HZ3      TRP 119  -0.960   4.634  -7.091
  918    HH2  TRP 119           HH2      TRP 119  -1.400   4.437  -9.527
  919    H    LEU 120           H        LEU 120   4.609  10.853  -7.191
  920    HA   LEU 120           HA       LEU 120   5.822   9.534  -9.364
  921    HB2  LEU 120           HB2      LEU 120   5.400  11.949  -9.028
  922    HB3  LEU 120           HB3      LEU 120   6.595  11.997  -7.752
  923    HG   LEU 120           HG       LEU 120   7.276  13.019  -9.801
  924   HD11  LEU 120          HD11      LEU 120   8.999  12.096  -8.280
  925   HD12  LEU 120          HD12      LEU 120   9.107  10.657  -9.330
  926   HD13  LEU 120          HD13      LEU 120   9.507  12.267  -9.963
  927   HD21  LEU 120          HD21      LEU 120   7.836  11.761 -11.820
  928   HD22  LEU 120          HD22      LEU 120   7.244  10.253 -11.077
  929   HD23  LEU 120          HD23      LEU 120   6.129  11.606 -11.416
  930    H    ALA 121           H        ALA 121   7.175  10.406  -6.124
  931    HA   ALA 121           HA       ALA 121   9.677   9.109  -6.524
  932    HB1  ALA 121           HB1      ALA 121   8.165   9.808  -3.976
  933    HB2  ALA 121           HB2      ALA 121   9.890   9.381  -4.064
  934    HB3  ALA 121           HB3      ALA 121   9.303  10.865  -4.844
  935    H    ARG 122           H        ARG 122   6.511   7.822  -5.503
  936    HA   ARG 122           HA       ARG 122   7.536   5.395  -4.361
  937    HB2  ARG 122           HB2      ARG 122   4.833   6.394  -5.312
  938    HB3  ARG 122           HB3      ARG 122   5.012   4.734  -4.747
  939    HG2  ARG 122           HG2      ARG 122   6.042   7.006  -3.074
  940    HG3  ARG 122           HG3      ARG 122   4.314   6.709  -3.112
  941    HD2  ARG 122           HD2      ARG 122   5.985   4.281  -2.650
  942    HD3  ARG 122           HD3      ARG 122   6.137   5.542  -1.422
  943    HE   ARG 122           HE       ARG 122   3.530   4.398  -2.313
  944   HH11  ARG 122          HH11      ARG 122   5.619   5.409   0.415
  945   HH12  ARG 122          HH12      ARG 122   4.320   5.496   1.549
  946   HH21  ARG 122          HH22      ARG 122   1.954   4.285  -0.895
  947   HH22  ARG 122          HH21      ARG 122   2.047   4.900   0.749
  948    H    GLY 123           H        GLY 123   7.522   6.406  -7.634
  949    HA2  GLY 123           HA2      GLY 123   8.177   5.244  -9.499
  950    HA3  GLY 123           HA3      GLY 123   8.475   3.822  -8.479
  951    H    TYR 124           H        TYR 124   5.629   5.800  -9.457
  952    HA   TYR 124           HA       TYR 124   3.726   3.740  -9.352
  953    HB2  TYR 124           HB2      TYR 124   2.295   5.216 -10.630
  954    HB3  TYR 124           HB3      TYR 124   3.141   6.081  -9.365
  955    HD1  TYR 124           HD2      TYR 124   3.248   5.396 -13.098
  956    HD2  TYR 124           HD1      TYR 124   4.296   8.043  -9.867
  957    HE1  TYR 124           HE2      TYR 124   3.940   7.084 -14.726
  958    HE2  TYR 124           HE1      TYR 124   4.932   9.776 -11.484
  959    HH   TYR 124           HH       TYR 124   4.702   9.272 -15.053
  960    H    LYS 125           H        LYS 125   2.418   2.961 -11.185
  961    HA   LYS 125           HA       LYS 125   4.052   2.029 -13.494
  962    HB2  LYS 125           HB2      LYS 125   2.548   0.248 -11.527
  963    HB3  LYS 125           HB3      LYS 125   3.473  -0.294 -12.940
  964    HG2  LYS 125           HG2      LYS 125   5.535   0.704 -11.923
  965    HG3  LYS 125           HG3      LYS 125   4.582   1.077 -10.472
  966    HD2  LYS 125           HD2      LYS 125   4.170  -1.296 -10.059
  967    HD3  LYS 125           HD3      LYS 125   5.020  -1.725 -11.551
  968    HE2  LYS 125           HE2      LYS 125   6.492  -2.061  -9.633
  969    HE3  LYS 125           HE3      LYS 125   7.121  -0.792 -10.685
  970    HZ1  LYS 125           HZ1      LYS 125   6.307   0.861  -9.115
  971    HZ2  LYS 125           HZ2      LYS 125   5.644  -0.306  -8.161
  972    HZ3  LYS 125           HZ3      LYS 125   7.259  -0.211  -8.337
  973    H    PHE 126           H        PHE 126   1.525   3.788 -12.992
  974    HA   PHE 126           HA       PHE 126  -0.727   2.423 -13.957
  975    HB2  PHE 126           HB2      PHE 126  -1.719   4.452 -14.454
  976    HB3  PHE 126           HB3      PHE 126  -0.763   4.709 -13.013
  977    HD1  PHE 126           HD1      PHE 126  -0.830   5.235 -16.740
  978    HD2  PHE 126           HD2      PHE 126   0.689   6.639 -12.956
  979    HE1  PHE 126           HE1      PHE 126   0.058   7.256 -17.842
  980    HE2  PHE 126           HE2      PHE 126   1.484   8.710 -14.050
  981    HZ   PHE 126           HZ       PHE 126   1.176   9.029 -16.497
  Start of MODEL    3
    1    H1   MET   1           H1       MET   1   4.980  -1.120  -1.513
    2    H2   MET   1           H2       MET   1   5.179   0.481  -1.803
    3    H3   MET   1           H3       MET   1   6.110  -0.619  -2.598
    4    HA   MET   1           HA       MET   1   6.147  -0.026   0.274
    5    HB2  MET   1           HB2      MET   1   6.545  -2.413  -0.105
    6    HB3  MET   1           HB3      MET   1   7.847  -2.047  -1.243
    7    HG2  MET   1           HG2      MET   1   8.689  -2.646   0.992
    8    HG3  MET   1           HG3      MET   1   9.169  -1.017   0.531
    9    HE1  MET   1           HE1      MET   1   9.911  -0.480   2.990
   10    HE2  MET   1           HE2      MET   1   8.888  -0.746   4.418
   11    HE3  MET   1           HE3      MET   1   9.462  -2.134   3.468
   12    H    ALA   2           H        ALA   2   6.704   2.117   0.201
   13    HA   ALA   2           HA       ALA   2   9.451   2.745  -0.547
   14    HB1  ALA   2           HB1      ALA   2   7.121   4.222  -1.853
   15    HB2  ALA   2           HB2      ALA   2   8.836   4.668  -1.989
   16    HB3  ALA   2           HB3      ALA   2   8.258   3.158  -2.712
   17    H    SER   3           H        SER   3  10.076   4.819   0.379
   18    HA   SER   3           HA       SER   3   8.931   5.153   2.942
   19    HB2  SER   3           HB2      SER   3  11.079   6.858   1.617
   20    HB3  SER   3           HB3      SER   3  10.895   6.525   3.347
   21    HG   SER   3           HG       SER   3  11.464   4.374   2.953
   22    H    VAL   4           H        VAL   4   7.363   6.204   0.540
   23    HA   VAL   4           HA       VAL   4   6.670   8.888   1.595
   24    HB   VAL   4           HB       VAL   4   6.050   9.302  -0.764
   25   HG11  VAL   4          HG11      VAL   4   8.267  10.042   0.135
   26   HG12  VAL   4          HG12      VAL   4   8.985   8.547  -0.517
   27   HG13  VAL   4          HG13      VAL   4   8.277   9.743  -1.612
   28   HG21  VAL   4          HG21      VAL   4   7.581   6.781  -1.491
   29   HG22  VAL   4          HG22      VAL   4   5.808   6.953  -1.531
   30   HG23  VAL   4          HG23      VAL   4   6.829   7.943  -2.587
   31    H    GLU   5           H        GLU   5   5.654   5.698   1.461
   32    HA   GLU   5           HA       GLU   5   2.816   6.114   0.870
   33    HB2  GLU   5           HB2      GLU   5   4.469   3.760   1.863
   34    HB3  GLU   5           HB3      GLU   5   2.724   3.683   1.551
   35    HG2  GLU   5           HG2      GLU   5   3.012   4.185  -0.779
   36    HG3  GLU   5           HG3      GLU   5   4.730   4.530  -0.588
   37    H    ARG   6           H        ARG   6   2.700   7.922   2.470
   38    HA   ARG   6           HA       ARG   6   3.426   7.706   5.147
   39    HB2  ARG   6           HB2      ARG   6   3.134   9.795   4.057
   40    HB3  ARG   6           HB3      ARG   6   1.467   9.462   3.612
   41    HG2  ARG   6           HG2      ARG   6   2.249   9.634   6.536
   42    HG3  ARG   6           HG3      ARG   6   2.024  11.102   5.582
   43    HD2  ARG   6           HD2      ARG   6  -0.236  10.524   4.993
   44    HD3  ARG   6           HD3      ARG   6  -0.122   8.945   5.719
   45    HE   ARG   6           HE       ARG   6  -0.643  11.457   7.038
   46   HH11  ARG   6          HH11      ARG   6   0.726   8.199   7.669
   47   HH12  ARG   6          HH12      ARG   6   0.379   8.270   9.358
   48   HH21  ARG   6          HH21      ARG   6  -1.083  11.494   9.277
   49   HH22  ARG   6          HH22      ARG   6  -0.662  10.163  10.284
   50    H    ASP   7           H        ASP   7   0.372   6.711   3.594
   51    HA   ASP   7           HA       ASP   7  -0.237   4.877   5.670
   52    HB2  ASP   7           HB2      ASP   7  -1.074   6.950   6.832
   53    HB3  ASP   7           HB3      ASP   7  -2.083   7.306   5.432
   54    H    GLU   8           H        GLU   8  -2.179   3.588   4.936
   55    HA   GLU   8           HA       GLU   8  -2.435   3.318   2.123
   56    HB2  GLU   8           HB2      GLU   8  -4.226   1.764   2.612
   57    HB3  GLU   8           HB3      GLU   8  -2.866   1.504   3.702
   58    HG2  GLU   8           HG2      GLU   8  -4.093   2.794   5.480
   59    HG3  GLU   8           HG3      GLU   8  -5.468   2.947   4.383
   60    H    THR   9           H        THR   9  -4.049   5.570   4.297
   61    HA   THR   9           HA       THR   9  -6.228   6.384   2.795
   62    HB   THR   9           HB       THR   9  -4.128   8.035   4.226
   63    HG1  THR   9           HG1      THR   9  -5.043   6.615   5.585
   64   HG21  THR   9          HG21      THR   9  -5.915   9.729   4.568
   65   HG22  THR   9          HG22      THR   9  -5.433   9.582   2.879
   66   HG23  THR   9          HG23      THR   9  -6.955   8.838   3.425
   67    H    ARG  10           H        ARG  10  -2.743   6.943   1.964
   68    HA   ARG  10           HA       ARG  10  -3.321   8.820  -0.140
   69    HB2  ARG  10           HB2      ARG  10  -0.938   6.989   0.410
   70    HB3  ARG  10           HB3      ARG  10  -0.971   8.142  -0.920
   71    HG2  ARG  10           HG2      ARG  10  -1.424   9.013   1.968
   72    HG3  ARG  10           HG3      ARG  10   0.189   8.891   1.257
   73    HD2  ARG  10           HD2      ARG  10  -0.249  10.546  -0.376
   74    HD3  ARG  10           HD3      ARG  10  -1.994  10.526  -0.078
   75    HE   ARG  10           HE       ARG  10  -0.741  11.283   2.329
   76   HH11  ARG  10          HH11      ARG  10  -1.125  12.552  -0.973
   77   HH12  ARG  10          HH12      ARG  10  -1.253  14.217  -0.438
   78   HH21  ARG  10          HH21      ARG  10  -0.869  13.544   2.979
   79   HH22  ARG  10          HH22      ARG  10  -1.104  14.767   1.757
   80    H    GLU  11           H        GLU  11  -2.753   5.269  -0.183
   81    HA   GLU  11           HA       GLU  11  -3.212   4.837  -2.927
   82    HB2  GLU  11           HB2      GLU  11  -3.900   3.074  -0.531
   83    HB3  GLU  11           HB3      GLU  11  -3.960   2.528  -2.194
   84    HG2  GLU  11           HG2      GLU  11  -1.394   3.644  -1.003
   85    HG3  GLU  11           HG3      GLU  11  -1.892   1.973  -0.760
   86    H    HIS  12           H        HIS  12  -5.565   4.990  -0.197
   87    HA   HIS  12           HA       HIS  12  -7.842   4.377  -1.806
   88    HB2  HIS  12           HB2      HIS  12  -7.567   5.814   0.858
   89    HB3  HIS  12           HB3      HIS  12  -9.118   5.528   0.078
   90    HD1  HIS  12           HD1      HIS  12  -6.157   3.374   1.381
   91    HD2  HIS  12           HD2      HIS  12 -10.263   3.224   0.466
   92    HE1  HIS  12           HE1      HIS  12  -6.978   1.074   2.132
   93    H    ARG  13           H        ARG  13  -6.421   7.603  -0.900
   94    HA   ARG  13           HA       ARG  13  -8.476   9.116  -2.212
   95    HB2  ARG  13           HB2      ARG  13  -5.551   9.737  -1.595
   96    HB3  ARG  13           HB3      ARG  13  -6.658  10.920  -2.282
   97    HG2  ARG  13           HG2      ARG  13  -7.151   9.534   0.390
   98    HG3  ARG  13           HG3      ARG  13  -6.318  11.082   0.207
   99    HD2  ARG  13           HD2      ARG  13  -8.337  12.048  -0.845
  100    HD3  ARG  13           HD3      ARG  13  -9.183  10.498  -0.650
  101    HE   ARG  13           HE       ARG  13  -8.192  11.257   1.876
  102   HH11  ARG  13          HH11      ARG  13 -10.600  12.397  -0.485
  103   HH12  ARG  13          HH12      ARG  13 -11.629  13.112   0.719
  104   HH21  ARG  13          HH21      ARG  13  -9.562  12.210   3.464
  105   HH22  ARG  13          HH22      ARG  13 -11.020  13.000   3.004
  106    H    ILE  14           H        ILE  14  -5.315   7.880  -3.417
  107    HA   ILE  14           HA       ILE  14  -5.494   8.929  -6.031
  108    HB   ILE  14           HB       ILE  14  -4.193   6.450  -4.858
  109   HG12  ILE  14          HG12      ILE  14  -2.887   8.972  -5.961
  110   HG13  ILE  14          HG13      ILE  14  -3.397   8.842  -4.285
  111   HG21  ILE  14          HG21      ILE  14  -2.878   6.204  -6.937
  112   HG22  ILE  14          HG22      ILE  14  -4.585   5.920  -7.213
  113   HG23  ILE  14          HG23      ILE  14  -3.860   7.470  -7.711
  114   HD11  ILE  14          HD11      ILE  14  -1.296   7.110  -5.643
  115   HD12  ILE  14          HD12      ILE  14  -1.053   8.339  -4.394
  116   HD13  ILE  14          HD13      ILE  14  -1.916   6.842  -3.995
  117    H    GLU  15           H        GLU  15  -6.541   5.714  -4.814
  118    HA   GLU  15           HA       GLU  15  -7.600   4.825  -7.242
  119    HB2  GLU  15           HB2      GLU  15  -6.966   3.354  -5.428
  120    HB3  GLU  15           HB3      GLU  15  -8.182   4.054  -4.347
  121    HG2  GLU  15           HG2      GLU  15  -9.991   3.148  -5.664
  122    HG3  GLU  15           HG3      GLU  15  -8.874   2.594  -6.922
  123    H    THR  16           H        THR  16  -9.263   6.616  -4.607
  124    HA   THR  16           HA       THR  16 -11.834   6.198  -5.991
  125    HB   THR  16           HB       THR  16 -12.847   6.986  -3.912
  126    HG1  THR  16           HG1      THR  16 -10.200   7.043  -2.894
  127   HG21  THR  16          HG21      THR  16 -12.355   4.585  -4.217
  128   HG22  THR  16          HG22      THR  16 -10.769   4.799  -3.447
  129   HG23  THR  16          HG23      THR  16 -12.259   5.073  -2.518
  130    H    GLU  17           H        GLU  17  -9.546   8.778  -5.847
  131    HA   GLU  17           HA       GLU  17 -11.657  10.609  -6.904
  132    HB2  GLU  17           HB2      GLU  17  -9.423  11.330  -4.968
  133    HB3  GLU  17           HB3      GLU  17 -10.512  12.466  -5.760
  134    HG2  GLU  17           HG2      GLU  17 -12.463  11.270  -4.701
  135    HG3  GLU  17           HG3      GLU  17 -11.310  10.304  -3.774
  136    H    ILE  18           H        ILE  18  -8.385   9.366  -7.411
  137    HA   ILE  18           HA       ILE  18  -7.900  11.598  -9.326
  138    HB   ILE  18           HB       ILE  18  -5.890   9.640  -8.182
  139   HG12  ILE  18          HG12      ILE  18  -6.755  12.410  -7.249
  140   HG13  ILE  18          HG13      ILE  18  -6.798  10.917  -6.327
  141   HG21  ILE  18          HG21      ILE  18  -4.238  11.213  -9.025
  142   HG22  ILE  18          HG22      ILE  18  -5.267  10.703 -10.352
  143   HG23  ILE  18          HG23      ILE  18  -5.513  12.300  -9.612
  144   HD11  ILE  18          HD11      ILE  18  -4.990  12.195  -5.484
  145   HD12  ILE  18          HD12      ILE  18  -4.273  10.860  -6.410
  146   HD13  ILE  18          HD13      ILE  18  -4.332  12.501  -7.097
  147    H    ILE  19           H        ILE  19  -7.719   7.984  -9.125
  148    HA   ILE  19           HA       ILE  19  -7.942   7.925 -12.106
  149    HB   ILE  19           HB       ILE  19  -6.699   5.843 -11.998
  150   HG12  ILE  19          HG12      ILE  19  -6.034   6.654  -9.134
  151   HG13  ILE  19          HG13      ILE  19  -7.179   5.363  -9.562
  152   HG21  ILE  19          HG21      ILE  19  -4.542   6.946 -11.907
  153   HG22  ILE  19          HG22      ILE  19  -5.718   8.073 -12.576
  154   HG23  ILE  19          HG23      ILE  19  -5.186   8.248 -10.890
  155   HD11  ILE  19          HD11      ILE  19  -4.222   5.502 -10.167
  156   HD12  ILE  19          HD12      ILE  19  -5.082   4.363  -9.093
  157   HD13  ILE  19          HD13      ILE  19  -5.335   4.287 -10.862
  158    H    VAL  20           H        VAL  20 -10.009   7.718  -9.731
  159    HA   VAL  20           HA       VAL  20 -11.195   5.226  -9.750
  160    HB   VAL  20           HB       VAL  20 -11.666   7.153  -8.295
  161   HG11  VAL  20          HG11      VAL  20 -13.477   8.237 -10.473
  162   HG12  VAL  20          HG12      VAL  20 -13.295   8.858  -8.826
  163   HG13  VAL  20          HG13      VAL  20 -11.938   8.960  -9.950
  164   HG21  VAL  20          HG21      VAL  20 -14.009   6.667  -7.866
  165   HG22  VAL  20          HG22      VAL  20 -14.188   5.947  -9.479
  166   HG23  VAL  20          HG23      VAL  20 -13.133   5.181  -8.269
  167    H    ASP  21           H        ASP  21 -11.490   7.743 -12.250
  168    HA   ASP  21           HA       ASP  21 -13.603   6.288 -13.678
  169    HB2  ASP  21           HB2      ASP  21 -13.586   8.761 -13.427
  170    HB3  ASP  21           HB3      ASP  21 -12.082   8.836 -14.346
  171    H    ALA  22           H        ALA  22 -10.254   5.915 -13.516
  172    HA   ALA  22           HA       ALA  22  -9.684   5.813 -16.367
  173    HB1  ALA  22           HB1      ALA  22  -8.001   6.563 -14.680
  174    HB2  ALA  22           HB2      ALA  22  -7.958   4.900 -14.032
  175    HB3  ALA  22           HB3      ALA  22  -7.442   5.228 -15.696
  176    H    GLU  23           H        GLU  23  -8.380   3.783 -17.106
  177    HA   GLU  23           HA       GLU  23  -9.445   1.209 -16.239
  178    HB2  GLU  23           HB2      GLU  23 -11.246   2.171 -17.740
  179    HB3  GLU  23           HB3      GLU  23 -10.059   2.280 -19.035
  180    HG2  GLU  23           HG2      GLU  23 -11.357   0.313 -19.405
  181    HG3  GLU  23           HG3      GLU  23  -9.759  -0.222 -18.911
  182    H    ASP  24           H        ASP  24  -7.658   3.089 -18.752
  183    HA   ASP  24           HA       ASP  24  -5.663   0.889 -19.037
  184    HB2  ASP  24           HB2      ASP  24  -6.924   1.780 -21.063
  185    HB3  ASP  24           HB3      ASP  24  -6.102   3.322 -20.785
  186    H    LYS  25           H        LYS  25  -3.382   2.139 -19.661
  187    HA   LYS  25           HA       LYS  25  -2.708   3.644 -17.222
  188    HB2  LYS  25           HB2      LYS  25  -0.416   3.638 -18.084
  189    HB3  LYS  25           HB3      LYS  25  -1.104   2.037 -17.840
  190    HG2  LYS  25           HG2      LYS  25  -1.426   1.813 -20.311
  191    HG3  LYS  25           HG3      LYS  25  -0.787   3.454 -20.531
  192    HD2  LYS  25           HD2      LYS  25   1.003   1.900 -20.983
  193    HD3  LYS  25           HD3      LYS  25   1.354   2.731 -19.465
  194    HE2  LYS  25           HE2      LYS  25  -0.097   0.482 -18.634
  195    HE3  LYS  25           HE3      LYS  25   0.798  -0.142 -20.020
  196    HZ1  LYS  25           HZ1      LYS  25   2.837   0.703 -18.912
  197    HZ2  LYS  25           HZ2      LYS  25   1.930   1.171 -17.610
  198    HZ3  LYS  25           HZ3      LYS  25   2.062  -0.411 -18.006
  199    H    GLU  26           H        GLU  26  -3.406   4.244 -20.655
  200    HA   GLU  26           HA       GLU  26  -2.457   6.992 -20.649
  201    HB2  GLU  26           HB2      GLU  26  -4.609   5.598 -22.311
  202    HB3  GLU  26           HB3      GLU  26  -3.996   7.232 -22.601
  203    HG2  GLU  26           HG2      GLU  26  -1.699   6.294 -22.915
  204    HG3  GLU  26           HG3      GLU  26  -2.345   4.668 -22.734
  205    H    GLU  27           H        GLU  27  -5.554   5.349 -19.883
  206    HA   GLU  27           HA       GLU  27  -7.001   7.749 -19.299
  207    HB2  GLU  27           HB2      GLU  27  -7.456   4.923 -18.299
  208    HB3  GLU  27           HB3      GLU  27  -8.620   6.245 -18.231
  209    HG2  GLU  27           HG2      GLU  27  -7.483   5.058 -20.801
  210    HG3  GLU  27           HG3      GLU  27  -9.038   4.641 -20.095
  211    H    ARG  28           H        ARG  28  -4.912   5.641 -17.273
  212    HA   ARG  28           HA       ARG  28  -5.592   6.996 -14.808
  213    HB2  ARG  28           HB2      ARG  28  -3.183   5.343 -15.655
  214    HB3  ARG  28           HB3      ARG  28  -3.312   6.080 -14.053
  215    HG2  ARG  28           HG2      ARG  28  -5.294   4.832 -13.510
  216    HG3  ARG  28           HG3      ARG  28  -5.432   4.206 -15.152
  217    HD2  ARG  28           HD2      ARG  28  -3.271   2.990 -14.864
  218    HD3  ARG  28           HD3      ARG  28  -3.156   3.622 -13.217
  219    HE   ARG  28           HE       ARG  28  -4.573   2.013 -12.497
  220   HH11  ARG  28          HH11      ARG  28  -5.170   2.339 -15.998
  221   HH12  ARG  28          HH12      ARG  28  -6.083   0.871 -16.105
  222   HH21  ARG  28          HH21      ARG  28  -5.858   0.112 -12.654
  223   HH22  ARG  28          HH22      ARG  28  -6.504  -0.386 -14.169
  224    H    ALA  29           H        ALA  29  -3.019   7.573 -17.279
  225    HA   ALA  29           HA       ALA  29  -1.815   9.754 -15.952
  226    HB1  ALA  29           HB1      ALA  29  -0.893   8.569 -17.947
  227    HB2  ALA  29           HB2      ALA  29  -2.149   9.312 -18.951
  228    HB3  ALA  29           HB3      ALA  29  -0.935  10.334 -18.154
  229    H    MET  30           H        MET  30  -4.618   9.683 -18.262
  230    HA   MET  30           HA       MET  30  -5.127  12.480 -18.104
  231    HB2  MET  30           HB2      MET  30  -6.625  10.048 -19.013
  232    HB3  MET  30           HB3      MET  30  -7.526  11.537 -18.745
  233    HG2  MET  30           HG2      MET  30  -6.773  11.272 -21.061
  234    HG3  MET  30           HG3      MET  30  -6.233  12.766 -20.313
  235    HE1  MET  30           HE1      MET  30  -3.991  13.669 -20.379
  236    HE2  MET  30           HE2      MET  30  -3.300  12.595 -19.138
  237    HE3  MET  30           HE3      MET  30  -2.484  12.793 -20.683
  238    H    GLY  31           H        GLY  31  -6.273   9.796 -16.008
  239    HA2  GLY  31           HA2      GLY  31  -8.125  11.241 -14.454
  240    HA3  GLY  31           HA3      GLY  31  -7.126   9.886 -13.889
  241    H    TRP  32           H        TRP  32  -4.578  10.781 -13.910
  242    HA   TRP  32           HA       TRP  32  -4.317  12.581 -11.728
  243    HB2  TRP  32           HB2      TRP  32  -2.429  11.488 -13.828
  244    HB3  TRP  32           HB3      TRP  32  -1.912  12.783 -12.764
  245    HD1  TRP  32           HD1      TRP  32  -2.472   9.075 -12.761
  246    HE1  TRP  32           HE1      TRP  32  -1.699   8.091 -10.517
  247    HE3  TRP  32           HE3      TRP  32  -1.922  13.432 -10.160
  248    HZ2  TRP  32           HZ2      TRP  32  -1.004   9.114  -7.869
  249    HZ3  TRP  32           HZ3      TRP  32  -1.180  13.409  -7.789
  250    HH2  TRP  32           HH2      TRP  32  -0.683  11.252  -6.660
  251    H    TYR  33           H        TYR  33  -4.016  13.159 -15.280
  252    HA   TYR  33           HA       TYR  33  -3.183  15.822 -15.102
  253    HB2  TYR  33           HB2      TYR  33  -3.065  14.666 -17.210
  254    HB3  TYR  33           HB3      TYR  33  -4.799  14.366 -17.212
  255    HD1  TYR  33           HD1      TYR  33  -2.288  17.119 -17.353
  256    HD2  TYR  33           HD2      TYR  33  -6.350  15.907 -18.134
  257    HE1  TYR  33           HE1      TYR  33  -2.736  19.303 -18.412
  258    HE2  TYR  33           HE2      TYR  33  -6.815  18.099 -19.172
  259    HH   TYR  33           HH       TYR  33  -5.951  20.181 -19.771
  260    H    TYR  34           H        TYR  34  -6.605  14.610 -15.399
  261    HA   TYR  34           HA       TYR  34  -7.613  17.301 -15.406
  262    HB2  TYR  34           HB2      TYR  34  -8.971  14.614 -14.998
  263    HB3  TYR  34           HB3      TYR  34  -9.829  16.146 -15.076
  264    HD1  TYR  34           HD2      TYR  34  -9.106  17.699 -17.204
  265    HD2  TYR  34           HD1      TYR  34  -8.885  13.396 -17.024
  266    HE1  TYR  34           HE2      TYR  34  -9.291  17.596 -19.665
  267    HE2  TYR  34           HE1      TYR  34  -9.040  13.282 -19.497
  268    HH   TYR  34           HH       TYR  34  -9.341  16.218 -21.547
  269    H    TYR  35           H        TYR  35  -7.089  14.871 -12.798
  270    HA   TYR  35           HA       TYR  35  -8.529  16.286 -10.788
  271    HB2  TYR  35           HB2      TYR  35  -7.767  13.937 -10.615
  272    HB3  TYR  35           HB3      TYR  35  -6.092  14.474 -10.571
  273    HD1  TYR  35           HD1      TYR  35  -9.366  14.682  -8.752
  274    HD2  TYR  35           HD2      TYR  35  -5.080  15.058  -8.489
  275    HE1  TYR  35           HE1      TYR  35  -9.539  14.900  -6.293
  276    HE2  TYR  35           HE2      TYR  35  -5.236  15.304  -6.039
  277    HH   TYR  35           HH       TYR  35  -6.659  15.357  -4.185
  278    H    LEU  36           H        LEU  36  -5.066  16.465 -11.814
  279    HA   LEU  36           HA       LEU  36  -4.346  18.468  -9.877
  280    HB2  LEU  36           HB2      LEU  36  -3.110  17.209 -12.314
  281    HB3  LEU  36           HB3      LEU  36  -2.506  18.778 -11.843
  282    HG   LEU  36           HG       LEU  36  -1.757  18.057  -9.720
  283   HD11  LEU  36          HD11      LEU  36  -3.512  16.627  -8.902
  284   HD12  LEU  36          HD12      LEU  36  -3.201  15.421 -10.174
  285   HD13  LEU  36          HD13      LEU  36  -2.006  15.715  -8.887
  286   HD21  LEU  36          HD21      LEU  36  -0.399  17.402 -11.731
  287   HD22  LEU  36          HD22      LEU  36  -0.141  16.324 -10.343
  288   HD23  LEU  36          HD23      LEU  36  -1.172  15.807 -11.697
  289    H    ASP  37           H        ASP  37  -5.353  18.633 -13.350
  290    HA   ASP  37           HA       ASP  37  -5.085  21.434 -13.586
  291    HB2  ASP  37           HB2      ASP  37  -5.391  19.970 -15.519
  292    HB3  ASP  37           HB3      ASP  37  -6.994  19.496 -14.946
  293    H    ASP  38           H        ASP  38  -7.748  19.496 -12.199
  294    HA   ASP  38           HA       ASP  38  -9.509  21.791 -11.894
  295    HB2  ASP  38           HB2      ASP  38 -10.366  19.498 -12.132
  296    HB3  ASP  38           HB3      ASP  38  -9.550  19.019 -10.641
  297    H    THR  39           H        THR  39  -6.844  20.462 -10.035
  298    HA   THR  39           HA       THR  39  -7.881  21.640  -7.504
  299    HB   THR  39           HB       THR  39  -5.555  19.778  -8.132
  300    HG1  THR  39           HG1      THR  39  -7.366  18.696  -8.413
  301   HG21  THR  39          HG21      THR  39  -4.941  20.868  -6.123
  302   HG22  THR  39          HG22      THR  39  -6.596  20.877  -5.505
  303   HG23  THR  39          HG23      THR  39  -5.691  19.350  -5.600
  304    H    LEU  40           H        LEU  40  -5.013  21.887  -9.645
  305    HA   LEU  40           HA       LEU  40  -3.450  23.408  -7.811
  306    HB2  LEU  40           HB2      LEU  40  -3.307  23.020 -10.820
  307    HB3  LEU  40           HB3      LEU  40  -2.048  23.826  -9.895
  308    HG   LEU  40           HG       LEU  40  -2.898  20.944  -9.364
  309   HD11  LEU  40          HD11      LEU  40  -0.610  22.001 -11.099
  310   HD12  LEU  40          HD12      LEU  40  -0.907  20.296 -10.703
  311   HD13  LEU  40          HD13      LEU  40  -2.074  21.190 -11.689
  312   HD21  LEU  40          HD21      LEU  40  -0.381  22.428  -8.565
  313   HD22  LEU  40          HD22      LEU  40  -1.698  21.870  -7.494
  314   HD23  LEU  40          HD23      LEU  40  -0.709  20.695  -8.346
  315    H    GLU  41           H        GLU  41  -3.603  25.506  -7.284
  316    HA   GLU  41           HA       GLU  41  -5.390  27.318  -8.680
  317    HB2  GLU  41           HB2      GLU  41  -3.601  27.576  -6.224
  318    HB3  GLU  41           HB3      GLU  41  -4.660  28.866  -6.793
  319    HG2  GLU  41           HG2      GLU  41  -5.678  26.111  -5.986
  320    HG3  GLU  41           HG3      GLU  41  -5.586  27.497  -4.914
  321    H    PHE  42           H        PHE  42  -3.540  26.662 -10.554
  322    HA   PHE  42           HA       PHE  42  -1.312  28.510 -10.688
  323    HB2  PHE  42           HB2      PHE  42  -1.150  27.780 -13.026
  324    HB3  PHE  42           HB3      PHE  42  -1.228  26.442 -11.910
  325    HD1  PHE  42           HD2      PHE  42  -3.318  28.475 -14.299
  326    HD2  PHE  42           HD1      PHE  42  -2.784  24.703 -12.277
  327    HE1  PHE  42           HE2      PHE  42  -5.122  27.480 -15.674
  328    HE2  PHE  42           HE1      PHE  42  -4.598  23.715 -13.653
  329    HZ   PHE  42           HZ       PHE  42  -5.768  25.099 -15.353
  330    HA   PRO  43           HA       PRO  43  -0.320  29.722 -12.781
  331    HB2  PRO  43           HB2      PRO  43   0.404  32.341 -12.960
  332    HB3  PRO  43           HB3      PRO  43  -0.455  31.480 -14.271
  333    HG2  PRO  43           HG2      PRO  43  -1.651  33.286 -12.155
  334    HG3  PRO  43           HG3      PRO  43  -1.926  33.316 -13.927
  335    HD2  PRO  43           HD2      PRO  43  -3.638  32.051 -12.221
  336    HD3  PRO  43           HD3      PRO  43  -3.283  31.385 -13.841
  337    H    PHE  44           H        PHE  44   1.559  29.915 -11.441
  338    HA   PHE  44           HA       PHE  44   1.422  31.458  -8.965
  339    HB2  PHE  44           HB2      PHE  44   1.830  29.585  -7.472
  340    HB3  PHE  44           HB3      PHE  44   0.230  29.550  -8.170
  341    HD1  PHE  44           HD2      PHE  44   3.655  28.045  -8.746
  342    HD2  PHE  44           HD1      PHE  44  -0.603  27.456  -8.814
  343    HE1  PHE  44           HE2      PHE  44   4.015  25.662  -9.167
  344    HE2  PHE  44           HE1      PHE  44  -0.248  25.058  -9.314
  345    HZ   PHE  44           HZ       PHE  44   2.056  24.139  -9.487
  346    H    MET  45           H        MET  45   3.584  31.242  -7.765
  347    HA   MET  45           HA       MET  45   5.761  31.104  -9.768
  348    HB2  MET  45           HB2      MET  45   5.574  33.007  -8.136
  349    HB3  MET  45           HB3      MET  45   5.687  31.855  -6.797
  350    HG2  MET  45           HG2      MET  45   7.965  31.203  -7.632
  351    HG3  MET  45           HG3      MET  45   7.836  32.470  -8.856
  352    HE1  MET  45           HE1      MET  45  10.153  33.438  -7.977
  353    HE2  MET  45           HE2      MET  45  10.514  33.681  -6.251
  354    HE3  MET  45           HE3      MET  45  10.162  32.046  -6.872
  355    H    GLY  46           H        GLY  46   7.526  29.531  -9.581
  356    HA2  GLY  46           HA2      GLY  46   7.529  27.775  -7.247
  357    HA3  GLY  46           HA3      GLY  46   7.194  26.969  -8.790
  358    H    LYS  47           H        LYS  47   9.362  26.277  -7.372
  359    HA   LYS  47           HA       LYS  47  11.650  27.461  -8.884
  360    HB2  LYS  47           HB2      LYS  47  11.789  27.109  -6.284
  361    HB3  LYS  47           HB3      LYS  47  11.812  25.392  -6.640
  362    HG2  LYS  47           HG2      LYS  47  14.089  25.990  -6.437
  363    HG3  LYS  47           HG3      LYS  47  13.829  25.861  -8.171
  364    HD2  LYS  47           HD2      LYS  47  15.141  27.817  -7.815
  365    HD3  LYS  47           HD3      LYS  47  13.526  28.401  -8.220
  366    HE2  LYS  47           HE2      LYS  47  13.033  28.895  -5.901
  367    HE3  LYS  47           HE3      LYS  47  14.499  28.073  -5.351
  368    HZ1  LYS  47           HZ1      LYS  47  15.823  29.778  -6.332
  369    HZ2  LYS  47           HZ2      LYS  47  14.556  30.483  -7.077
  370    HZ3  LYS  47           HZ3      LYS  47  14.687  30.528  -5.438
  371    H    TRP  48           H        TRP  48  12.357  26.305 -10.604
  372    HA   TRP  48           HA       TRP  48  11.295  23.586 -11.138
  373    HB2  TRP  48           HB2      TRP  48  11.377  25.367 -12.931
  374    HB3  TRP  48           HB3      TRP  48  13.121  25.392 -12.782
  375    HD1  TRP  48           HD1      TRP  48  12.506  21.869 -12.570
  376    HE1  TRP  48           HE1      TRP  48  12.598  20.681 -14.793
  377    HE3  TRP  48           HE3      TRP  48  11.986  25.923 -15.638
  378    HZ2  TRP  48           HZ2      TRP  48  12.495  21.386 -17.619
  379    HZ3  TRP  48           HZ3      TRP  48  11.916  25.626 -18.103
  380    HH2  TRP  48           HH2      TRP  48  12.187  23.365 -19.099
  381    H    LYS  49           H        LYS  49  12.437  22.076  -9.934
  382    HA   LYS  49           HA       LYS  49  15.267  22.554  -9.212
  383    HB2  LYS  49           HB2      LYS  49  13.008  20.928  -7.963
  384    HB3  LYS  49           HB3      LYS  49  14.708  20.720  -7.517
  385    HG2  LYS  49           HG2      LYS  49  14.890  23.033  -6.799
  386    HG3  LYS  49           HG3      LYS  49  13.266  23.400  -7.384
  387    HD2  LYS  49           HD2      LYS  49  13.339  23.182  -4.953
  388    HD3  LYS  49           HD3      LYS  49  12.259  21.993  -5.698
  389    HE2  LYS  49           HE2      LYS  49  13.863  20.216  -5.392
  390    HE3  LYS  49           HE3      LYS  49  15.116  21.352  -4.859
  391    HZ1  LYS  49           HZ1      LYS  49  13.962  20.149  -3.032
  392    HZ2  LYS  49           HZ2      LYS  49  13.882  21.770  -2.877
  393    HZ3  LYS  49           HZ3      LYS  49  12.566  20.945  -3.389
  394    H    LYS  50           H        LYS  50  15.462  22.121 -11.530
  395    HA   LYS  50           HA       LYS  50  14.617  19.676 -12.769
  396    HB2  LYS  50           HB2      LYS  50  15.219  21.786 -13.953
  397    HB3  LYS  50           HB3      LYS  50  16.916  21.541 -13.530
  398    HG2  LYS  50           HG2      LYS  50  17.017  19.506 -14.859
  399    HG3  LYS  50           HG3      LYS  50  15.269  19.546 -15.151
  400    HD2  LYS  50           HD2      LYS  50  15.454  21.609 -16.423
  401    HD3  LYS  50           HD3      LYS  50  17.176  21.760 -16.058
  402    HE2  LYS  50           HE2      LYS  50  15.997  19.370 -17.542
  403    HE3  LYS  50           HE3      LYS  50  16.514  20.839 -18.373
  404    HZ1  LYS  50           HZ1      LYS  50  18.319  19.198 -16.681
  405    HZ2  LYS  50           HZ2      LYS  50  18.249  19.139 -18.319
  406    HZ3  LYS  50           HZ3      LYS  50  18.738  20.500 -17.574
  407    H    LYS  51           H        LYS  51  15.271  17.627 -12.197
  408    HA   LYS  51           HA       LYS  51  17.981  17.203 -11.128
  409    HB2  LYS  51           HB2      LYS  51  17.341  15.043 -10.624
  410    HB3  LYS  51           HB3      LYS  51  15.903  15.998 -10.323
  411    HG2  LYS  51           HG2      LYS  51  15.102  15.239 -12.657
  412    HG3  LYS  51           HG3      LYS  51  16.480  14.135 -12.642
  413    HD2  LYS  51           HD2      LYS  51  14.570  12.881 -11.929
  414    HD3  LYS  51           HD3      LYS  51  15.620  13.106 -10.536
  415    HE2  LYS  51           HE2      LYS  51  13.301  13.393  -9.868
  416    HE3  LYS  51           HE3      LYS  51  14.147  14.934  -9.706
  417    HZ1  LYS  51           HZ1      LYS  51  13.143  15.664 -11.774
  418    HZ2  LYS  51           HZ2      LYS  51  12.413  14.214 -12.002
  419    HZ3  LYS  51           HZ3      LYS  51  11.958  15.180 -10.765
  420    H    SER  52           H        SER  52  19.732  16.848 -12.434
  421    HA   SER  52           HA       SER  52  19.645  15.108 -14.673
  422    HB2  SER  52           HB2      SER  52  20.321  16.904 -16.440
  423    HB3  SER  52           HB3      SER  52  18.624  16.628 -16.091
  424    HG   SER  52           HG       SER  52  20.237  18.751 -15.081
  425    H    ARG  53           H        ARG  53  21.411  17.638 -12.898
  426    HA   ARG  53           HA       ARG  53  23.782  17.618 -14.417
  427    HB2  ARG  53           HB2      ARG  53  23.259  19.387 -12.931
  428    HB3  ARG  53           HB3      ARG  53  23.171  18.322 -11.528
  429    HG2  ARG  53           HG2      ARG  53  25.593  17.973 -11.574
  430    HG3  ARG  53           HG3      ARG  53  25.730  18.906 -13.087
  431    HD2  ARG  53           HD2      ARG  53  24.917  20.915 -11.973
  432    HD3  ARG  53           HD3      ARG  53  24.612  20.012 -10.473
  433    HE   ARG  53           HE       ARG  53  27.342  19.712 -11.167
  434   HH11  ARG  53          HH11      ARG  53  25.100  22.274 -10.086
  435   HH12  ARG  53          HH12      ARG  53  26.324  23.145  -9.220
  436   HH21  ARG  53          HH21      ARG  53  28.955  20.904 -10.033
  437   HH22  ARG  53          HH22      ARG  53  28.555  22.361  -9.208
  438    H    LYS  54           H        LYS  54  25.245  16.088 -14.747
  439    HA   LYS  54           HA       LYS  54  26.242  14.075 -14.722
  440    HB2  LYS  54           HB2      LYS  54  27.714  15.610 -13.444
  441    HB3  LYS  54           HB3      LYS  54  27.048  14.989 -11.933
  442    HG2  LYS  54           HG2      LYS  54  27.866  12.689 -12.577
  443    HG3  LYS  54           HG3      LYS  54  28.537  13.377 -14.066
  444    HD2  LYS  54           HD2      LYS  54  30.010  14.852 -12.717
  445    HD3  LYS  54           HD3      LYS  54  29.328  14.167 -11.224
  446    HE2  LYS  54           HE2      LYS  54  30.125  11.911 -11.899
  447    HE3  LYS  54           HE3      LYS  54  30.798  12.588 -13.387
  448    HZ1  LYS  54           HZ1      LYS  54  31.680  13.294 -10.647
  449    HZ2  LYS  54           HZ2      LYS  54  32.488  12.337 -11.687
  450    HZ3  LYS  54           HZ3      LYS  54  32.302  13.918 -12.025
  451    H    THR  55           H        THR  55  25.816  13.625 -11.255
  452    HA   THR  55           HA       THR  55  24.643  11.035 -11.548
  453    HB   THR  55           HB       THR  55  24.682  11.459  -8.898
  454    HG1  THR  55           HG1      THR  55  25.088  13.726  -9.041
  455   HG21  THR  55          HG21      THR  55  27.067  10.881  -8.881
  456   HG22  THR  55          HG22      THR  55  26.200   9.953 -10.111
  457   HG23  THR  55          HG23      THR  55  27.212  11.331 -10.595
  458    H    SER  56           H        SER  56  22.853  12.885 -12.770
  459    HA   SER  56           HA       SER  56  20.776  13.777 -12.763
  460    HB2  SER  56           HB2      SER  56  20.117  11.458 -10.917
  461    HB3  SER  56           HB3      SER  56  18.997  12.345 -11.966
  462    HG   SER  56           HG       SER  56  19.736  10.374 -12.903
  463    H    THR  57           H        THR  57  22.544  15.002 -10.928
  464    HA   THR  57           HA       THR  57  21.290  15.456  -8.386
  465    HB   THR  57           HB       THR  57  23.366  17.290  -9.605
  466    HG1  THR  57           HG1      THR  57  24.243  15.444 -10.178
  467   HG21  THR  57          HG21      THR  57  24.343  17.161  -7.332
  468   HG22  THR  57          HG22      THR  57  22.678  17.750  -7.294
  469   HG23  THR  57          HG23      THR  57  23.034  16.068  -6.831
  470    H    ILE  58           H        ILE  58  20.438  17.530  -7.667
  471    HA   ILE  58           HA       ILE  58  18.550  18.685  -9.541
  472    HB   ILE  58           HB       ILE  58  19.286  19.332  -6.667
  473   HG12  ILE  58          HG12      ILE  58  18.314  17.049  -6.985
  474   HG13  ILE  58          HG13      ILE  58  17.365  18.103  -5.957
  475   HG21  ILE  58          HG21      ILE  58  18.257  21.320  -7.528
  476   HG22  ILE  58          HG22      ILE  58  16.979  20.396  -8.334
  477   HG23  ILE  58          HG23      ILE  58  17.044  20.490  -6.557
  478   HD11  ILE  58          HD11      ILE  58  15.699  18.429  -7.681
  479   HD12  ILE  58          HD12      ILE  58  16.713  17.609  -8.888
  480   HD13  ILE  58          HD13      ILE  58  16.020  16.696  -7.535
  481    H    GLU  59           H        GLU  59  18.566  20.635 -10.437
  482    HA   GLU  59           HA       GLU  59  20.630  22.672  -9.850
  483    HB2  GLU  59           HB2      GLU  59  19.669  21.613 -12.550
  484    HB3  GLU  59           HB3      GLU  59  20.262  23.260 -12.375
  485    HG2  GLU  59           HG2      GLU  59  21.886  20.803 -11.598
  486    HG3  GLU  59           HG3      GLU  59  21.965  21.578 -13.176
  487    H    GLU  60           H        GLU  60  19.608  24.849 -10.181
  488    HA   GLU  60           HA       GLU  60  16.652  24.667  -9.746
  489    HB2  GLU  60           HB2      GLU  60  18.751  26.302  -8.277
  490    HB3  GLU  60           HB3      GLU  60  17.004  26.495  -8.095
  491    HG2  GLU  60           HG2      GLU  60  16.807  24.154  -7.324
  492    HG3  GLU  60           HG3      GLU  60  18.549  23.939  -7.481
  493    H    LYS  61           H        LYS  61  15.371  26.099 -10.780
  494    HA   LYS  61           HA       LYS  61  16.535  28.659 -11.737
  495    HB2  LYS  61           HB2      LYS  61  16.592  27.029 -13.642
  496    HB3  LYS  61           HB3      LYS  61  14.850  26.773 -13.459
  497    HG2  LYS  61           HG2      LYS  61  14.359  29.029 -14.151
  498    HG3  LYS  61           HG3      LYS  61  16.055  29.514 -13.987
  499    HD2  LYS  61           HD2      LYS  61  15.473  29.254 -16.344
  500    HD3  LYS  61           HD3      LYS  61  16.706  28.086 -15.859
  501    HE2  LYS  61           HE2      LYS  61  14.913  26.336 -15.636
  502    HE3  LYS  61           HE3      LYS  61  13.725  27.519 -16.203
  503    HZ1  LYS  61           HZ1      LYS  61  16.064  26.574 -17.766
  504    HZ2  LYS  61           HZ2      LYS  61  14.531  26.077 -17.987
  505    HZ3  LYS  61           HZ3      LYS  61  14.936  27.627 -18.304
  506    H    THR  62           H        THR  62  14.875  30.327 -11.643
  507    HA   THR  62           HA       THR  62  12.564  29.506  -9.943
  508    HB   THR  62           HB       THR  62  13.769  32.275 -10.316
  509    HG1  THR  62           HG1      THR  62  15.349  31.067  -9.379
  510   HG21  THR  62          HG21      THR  62  11.482  32.212  -9.386
  511   HG22  THR  62          HG22      THR  62  12.002  31.043  -8.150
  512   HG23  THR  62          HG23      THR  62  12.660  32.699  -8.154
  513    H    VAL  63           H        VAL  63  10.490  29.695 -10.771
  514    HA   VAL  63           HA       VAL  63  10.201  31.121 -13.352
  515    HB   VAL  63           HB       VAL  63   9.164  29.164 -14.351
  516   HG11  VAL  63          HG11      VAL  63  11.637  29.486 -14.629
  517   HG12  VAL  63          HG12      VAL  63  11.899  28.301 -13.333
  518   HG13  VAL  63          HG13      VAL  63  11.073  27.828 -14.830
  519   HG21  VAL  63          HG21      VAL  63   9.273  26.931 -13.384
  520   HG22  VAL  63          HG22      VAL  63  10.009  27.560 -11.897
  521   HG23  VAL  63          HG23      VAL  63   8.338  27.985 -12.322
  522    H    GLU  64           H        GLU  64   8.077  31.441 -14.011
  523    HA   GLU  64           HA       GLU  64   5.979  31.342 -11.865
  524    HB2  GLU  64           HB2      GLU  64   6.385  33.608 -12.761
  525    HB3  GLU  64           HB3      GLU  64   6.148  33.023 -14.412
  526    HG2  GLU  64           HG2      GLU  64   3.809  32.473 -13.924
  527    HG3  GLU  64           HG3      GLU  64   4.042  32.835 -12.212
  528    H    VAL  65           H        VAL  65   4.516  29.695 -12.185
  529    HA   VAL  65           HA       VAL  65   4.523  28.266 -14.760
  530    HB   VAL  65           HB       VAL  65   3.442  26.532 -13.850
  531   HG11  VAL  65          HG11      VAL  65   4.801  27.523 -11.318
  532   HG12  VAL  65          HG12      VAL  65   4.504  25.843 -11.806
  533   HG13  VAL  65          HG13      VAL  65   5.664  26.831 -12.707
  534   HG21  VAL  65          HG21      VAL  65   2.091  26.377 -11.850
  535   HG22  VAL  65          HG22      VAL  65   2.287  28.116 -11.574
  536   HG23  VAL  65          HG23      VAL  65   1.423  27.513 -13.013
  537    H    LEU  66           H        LEU  66   2.891  28.422 -16.225
  538    HA   LEU  66           HA       LEU  66   0.963  30.662 -15.795
  539    HB2  LEU  66           HB2      LEU  66   1.851  29.123 -18.271
  540    HB3  LEU  66           HB3      LEU  66   0.554  30.298 -18.269
  541    HG   LEU  66           HG       LEU  66   2.527  31.297 -19.157
  542   HD11  LEU  66          HD11      LEU  66   1.014  32.730 -17.785
  543   HD12  LEU  66          HD12      LEU  66   2.087  32.484 -16.386
  544   HD13  LEU  66          HD13      LEU  66   2.686  33.312 -17.833
  545   HD21  LEU  66          HD21      LEU  66   4.603  31.596 -18.039
  546   HD22  LEU  66          HD22      LEU  66   3.987  30.946 -16.517
  547   HD23  LEU  66          HD23      LEU  66   4.208  29.871 -17.917
  548    H    GLY  67           H        GLY  67   1.109  27.132 -16.111
  549    HA2  GLY  67           HA2      GLY  67  -1.290  26.479 -15.052
  550    HA3  GLY  67           HA3      GLY  67  -1.667  26.759 -16.766
  551    H    MET  68           H        MET  68  -2.098  24.328 -16.089
  552    HA   MET  68           HA       MET  68   0.104  22.454 -16.325
  553    HB2  MET  68           HB2      MET  68  -2.880  22.238 -16.935
  554    HB3  MET  68           HB3      MET  68  -1.760  20.885 -17.052
  555    HG2  MET  68           HG2      MET  68  -2.136  22.454 -14.481
  556    HG3  MET  68           HG3      MET  68  -3.147  21.084 -14.913
  557    HE1  MET  68           HE1      MET  68  -0.985  17.980 -14.548
  558    HE2  MET  68           HE2      MET  68  -2.605  18.677 -14.776
  559    HE3  MET  68           HE3      MET  68  -1.390  18.799 -16.070
  560    H    ALA  69           H        ALA  69   0.775  21.335 -18.169
  561    HA   ALA  69           HA       ALA  69   0.756  22.721 -20.735
  562    HB1  ALA  69           HB1      ALA  69   1.996  20.695 -21.452
  563    HB2  ALA  69           HB2      ALA  69   2.617  21.241 -19.889
  564    HB3  ALA  69           HB3      ALA  69   1.486  19.862 -19.983
  565    HA   PRO  70           HA       PRO  70  -2.998  20.822 -22.326
  566    HB2  PRO  70           HB2      PRO  70  -2.311  19.767 -24.806
  567    HB3  PRO  70           HB3      PRO  70  -2.645  21.495 -24.479
  568    HG2  PRO  70           HG2      PRO  70   0.036  20.098 -24.600
  569    HG3  PRO  70           HG3      PRO  70  -0.437  21.655 -25.352
  570    HD2  PRO  70           HD2      PRO  70   0.933  21.595 -23.031
  571    HD3  PRO  70           HD3      PRO  70  -0.381  22.778 -23.258
  572    H    ASP  71           H        ASP  71  -4.044  18.786 -22.490
  573    HA   ASP  71           HA       ASP  71  -2.958  16.758 -20.917
  574    HB2  ASP  71           HB2      ASP  71  -4.898  15.553 -21.275
  575    HB3  ASP  71           HB3      ASP  71  -5.422  17.218 -21.492
  576    H    ASP  72           H        ASP  72  -2.724  17.211 -24.401
  577    HA   ASP  72           HA       ASP  72  -1.975  14.602 -25.185
  578    HB2  ASP  72           HB2      ASP  72  -2.653  16.370 -26.748
  579    HB3  ASP  72           HB3      ASP  72  -1.203  17.299 -26.353
  580    H    GLU  73           H        GLU  73  -0.109  17.126 -23.586
  581    HA   GLU  73           HA       GLU  73   2.490  15.779 -24.063
  582    HB2  GLU  73           HB2      GLU  73   1.658  18.172 -22.359
  583    HB3  GLU  73           HB3      GLU  73   3.293  17.531 -22.406
  584    HG2  GLU  73           HG2      GLU  73   1.816  18.574 -24.861
  585    HG3  GLU  73           HG3      GLU  73   2.900  19.536 -23.865
  586    H    CYS  74           H        CYS  74  -0.145  15.868 -21.726
  587    HA   CYS  74           HA       CYS  74   1.521  14.954 -19.526
  588    HB2  CYS  74           HB2      CYS  74  -1.459  15.540 -19.659
  589    HB3  CYS  74           HB3      CYS  74  -0.523  15.205 -18.192
  590    HG   CYS  74           HG       CYS  74  -0.228  17.695 -20.368
  591    H    LEU  75           H        LEU  75   1.124  13.145 -21.857
  592    HA   LEU  75           HA       LEU  75  -0.763  11.093 -21.086
  593    HB2  LEU  75           HB2      LEU  75   0.895  11.788 -23.414
  594    HB3  LEU  75           HB3      LEU  75   1.090  10.098 -23.036
  595    HG   LEU  75           HG       LEU  75  -0.605  10.370 -24.668
  596   HD11  LEU  75          HD11      LEU  75  -2.000   9.593 -22.068
  597   HD12  LEU  75          HD12      LEU  75  -2.409   9.078 -23.712
  598   HD13  LEU  75          HD13      LEU  75  -0.884   8.553 -22.979
  599   HD21  LEU  75          HD21      LEU  75  -2.719  11.536 -24.312
  600   HD22  LEU  75          HD22      LEU  75  -2.172  12.083 -22.717
  601   HD23  LEU  75          HD23      LEU  75  -1.342  12.641 -24.172
  602    H    LYS  76           H        LYS  76   2.575  11.692 -20.346
  603    HA   LYS  76           HA       LYS  76   2.898   8.921 -19.284
  604    HB2  LYS  76           HB2      LYS  76   4.911  10.510 -20.916
  605    HB3  LYS  76           HB3      LYS  76   5.245   8.986 -20.089
  606    HG2  LYS  76           HG2      LYS  76   3.482   7.859 -21.466
  607    HG3  LYS  76           HG3      LYS  76   3.209   9.381 -22.318
  608    HD2  LYS  76           HD2      LYS  76   4.611   8.004 -23.694
  609    HD3  LYS  76           HD3      LYS  76   5.524   9.396 -23.127
  610    HE2  LYS  76           HE2      LYS  76   6.961   7.479 -23.043
  611    HE3  LYS  76           HE3      LYS  76   6.614   7.970 -21.388
  612    HZ1  LYS  76           HZ1      LYS  76   4.996   6.149 -21.270
  613    HZ2  LYS  76           HZ2      LYS  76   5.311   5.720 -22.819
  614    HZ3  LYS  76           HZ3      LYS  76   6.463   5.575 -21.680
  615    H    ASP  77           H        ASP  77   3.243  12.288 -18.637
  616    HA   ASP  77           HA       ASP  77   4.227  11.873 -15.970
  617    HB2  ASP  77           HB2      ASP  77   6.316  12.054 -17.561
  618    HB3  ASP  77           HB3      ASP  77   5.850  13.736 -17.741
  619    H    MET  78           H        MET  78   4.127  14.281 -15.004
  620    HA   MET  78           HA       MET  78   1.756  15.646 -16.247
  621    HB2  MET  78           HB2      MET  78   2.923  15.721 -13.439
  622    HB3  MET  78           HB3      MET  78   1.680  16.841 -14.011
  623    HG2  MET  78           HG2      MET  78   1.397  13.815 -13.880
  624    HG3  MET  78           HG3      MET  78   0.779  14.955 -12.701
  625    HE1  MET  78           HE1      MET  78  -0.247  12.633 -15.256
  626    HE2  MET  78           HE2      MET  78  -1.250  13.474 -16.453
  627    HE3  MET  78           HE3      MET  78   0.505  13.709 -16.456
  628    H    TYR  79           H        TYR  79   1.985  17.877 -16.821
  629    HA   TYR  79           HA       TYR  79   4.705  19.045 -16.602
  630    HB2  TYR  79           HB2      TYR  79   3.095  18.660 -19.151
  631    HB3  TYR  79           HB3      TYR  79   4.499  19.698 -19.022
  632    HD1  TYR  79           HD2      TYR  79   3.291  16.224 -19.155
  633    HD2  TYR  79           HD1      TYR  79   6.763  18.775 -19.059
  634    HE1  TYR  79           HE2      TYR  79   4.671  14.347 -19.951
  635    HE2  TYR  79           HE1      TYR  79   8.163  16.899 -19.878
  636    HH   TYR  79           HH       TYR  79   6.805  13.627 -20.535
  637    H    VAL  80           H        VAL  80   4.771  21.276 -16.998
  638    HA   VAL  80           HA       VAL  80   2.226  22.795 -16.872
  639    HB   VAL  80           HB       VAL  80   3.458  24.210 -15.082
  640   HG11  VAL  80          HG11      VAL  80   2.512  22.877 -13.244
  641   HG12  VAL  80          HG12      VAL  80   1.413  22.982 -14.619
  642   HG13  VAL  80          HG13      VAL  80   2.327  21.483 -14.336
  643   HG21  VAL  80          HG21      VAL  80   4.962  23.061 -13.561
  644   HG22  VAL  80          HG22      VAL  80   4.886  21.566 -14.515
  645   HG23  VAL  80          HG23      VAL  80   5.659  23.016 -15.187
  646    H    GLU  81           H        GLU  81   2.379  24.816 -17.759
  647    HA   GLU  81           HA       GLU  81   4.709  25.348 -19.506
  648    HB2  GLU  81           HB2      GLU  81   2.070  26.822 -19.077
  649    HB3  GLU  81           HB3      GLU  81   3.360  27.351 -20.170
  650    HG2  GLU  81           HG2      GLU  81   3.162  25.150 -21.383
  651    HG3  GLU  81           HG3      GLU  81   1.765  24.763 -20.376
  652    H    VAL  82           H        VAL  82   6.261  26.915 -18.922
  653    HA   VAL  82           HA       VAL  82   5.807  28.479 -16.465
  654    HB   VAL  82           HB       VAL  82   7.832  27.752 -15.421
  655   HG11  VAL  82          HG11      VAL  82   6.369  25.204 -16.173
  656   HG12  VAL  82          HG12      VAL  82   7.299  25.535 -14.700
  657   HG13  VAL  82          HG13      VAL  82   5.775  26.384 -14.995
  658   HG21  VAL  82          HG21      VAL  82   8.269  25.804 -17.725
  659   HG22  VAL  82          HG22      VAL  82   9.268  27.225 -17.339
  660   HG23  VAL  82          HG23      VAL  82   9.210  25.871 -16.217
  661    H    ALA  83           H        ALA  83   7.161  30.330 -16.264
  662    HA   ALA  83           HA       ALA  83   8.798  31.025 -18.667
  663    HB1  ALA  83           HB1      ALA  83   6.720  32.288 -18.765
  664    HB2  ALA  83           HB2      ALA  83   6.901  32.794 -17.064
  665    HB3  ALA  83           HB3      ALA  83   8.042  33.369 -18.299
  666    H    ASP  84           H        ASP  84  10.743  31.849 -18.228
  667    HA   ASP  84           HA       ASP  84  11.800  31.427 -15.534
  668    HB2  ASP  84           HB2      ASP  84  13.093  30.551 -17.310
  669    HB3  ASP  84           HB3      ASP  84  12.990  32.043 -18.240
  670    H    ILE  85           H        ILE  85  10.896  32.985 -14.300
  671    HA   ILE  85           HA       ILE  85  10.666  35.709 -14.623
  672    HB   ILE  85           HB       ILE  85  11.493  34.258 -12.092
  673   HG12  ILE  85          HG12      ILE  85   8.662  34.934 -13.010
  674   HG13  ILE  85          HG13      ILE  85   9.397  33.342 -13.152
  675   HG21  ILE  85          HG21      ILE  85  10.474  36.149 -10.871
  676   HG22  ILE  85          HG22      ILE  85  11.746  36.737 -11.910
  677   HG23  ILE  85          HG23      ILE  85  10.051  36.932 -12.409
  678   HD11  ILE  85          HD11      ILE  85   8.794  34.789 -10.543
  679   HD12  ILE  85          HD12      ILE  85   8.025  33.341 -11.172
  680   HD13  ILE  85          HD13      ILE  85   9.721  33.272 -10.668
  681    H    GLY  86           H        GLY  86  12.037  37.379 -14.896
  682    HA2  GLY  86           HA2      GLY  86  13.829  38.740 -14.680
  683    HA3  GLY  86           HA3      GLY  86  14.367  37.729 -13.334
  684    H    GLY  87           H        GLY  87  14.111  35.943 -16.294
  685    HA2  GLY  87           HA2      GLY  87  16.969  36.481 -17.032
  686    HA3  GLY  87           HA3      GLY  87  16.319  34.844 -16.915
  687    H    LYS  88           H        LYS  88  14.837  34.107 -18.532
  688    HA   LYS  88           HA       LYS  88  14.776  35.511 -21.075
  689    HB2  LYS  88           HB2      LYS  88  12.883  33.346 -20.057
  690    HB3  LYS  88           HB3      LYS  88  13.050  33.873 -21.722
  691    HG2  LYS  88           HG2      LYS  88  15.233  32.497 -20.086
  692    HG3  LYS  88           HG3      LYS  88  14.209  31.736 -21.291
  693    HD2  LYS  88           HD2      LYS  88  15.151  33.308 -23.027
  694    HD3  LYS  88           HD3      LYS  88  16.270  33.928 -21.791
  695    HE2  LYS  88           HE2      LYS  88  17.170  31.639 -21.456
  696    HE3  LYS  88           HE3      LYS  88  16.061  31.018 -22.687
  697    HZ1  LYS  88           HZ1      LYS  88  17.191  32.416 -24.317
  698    HZ2  LYS  88           HZ2      LYS  88  18.217  32.992 -23.180
  699    HZ3  LYS  88           HZ3      LYS  88  18.257  31.419 -23.596
  700    H    ASP  89           H        ASP  89  12.518  35.207 -18.374
  701    HA   ASP  89           HA       ASP  89  10.881  36.338 -17.518
  702    HB2  ASP  89           HB2      ASP  89  12.844  37.869 -17.341
  703    HB3  ASP  89           HB3      ASP  89  12.207  38.775 -18.714
  704    H    ASP  90           H        ASP  90  10.933  36.698 -20.952
  705    HA   ASP  90           HA       ASP  90   8.090  37.589 -20.995
  706    HB2  ASP  90           HB2      ASP  90   9.740  39.448 -21.333
  707    HB3  ASP  90           HB3      ASP  90  10.395  38.572 -22.717
  708    H    ASP  91           H        ASP  91   9.571  34.928 -21.371
  709    HA   ASP  91           HA       ASP  91   8.048  34.098 -23.716
  710    HB2  ASP  91           HB2      ASP  91  10.380  34.557 -24.579
  711    HB3  ASP  91           HB3      ASP  91  10.981  33.328 -23.461
  712    H    VAL  92           H        VAL  92   7.872  31.665 -23.698
  713    HA   VAL  92           HA       VAL  92   7.902  30.641 -20.905
  714    HB   VAL  92           HB       VAL  92   5.793  31.780 -21.503
  715   HG11  VAL  92          HG11      VAL  92   5.385  29.632 -23.619
  716   HG12  VAL  92          HG12      VAL  92   4.212  30.866 -23.121
  717   HG13  VAL  92          HG13      VAL  92   5.701  31.352 -23.934
  718   HG21  VAL  92          HG21      VAL  92   5.685  29.990 -19.867
  719   HG22  VAL  92          HG22      VAL  92   4.203  30.069 -20.818
  720   HG23  VAL  92          HG23      VAL  92   5.385  28.791 -21.149
  721    H    TYR  93           H        TYR  93   7.762  28.443 -20.706
  722    HA   TYR  93           HA       TYR  93   8.596  26.673 -22.938
  723    HB2  TYR  93           HB2      TYR  93   9.972  27.063 -20.235
  724    HB3  TYR  93           HB3      TYR  93  10.434  25.889 -21.456
  725    HD1  TYR  93           HD2      TYR  93  10.437  29.491 -20.572
  726    HD2  TYR  93           HD1      TYR  93  11.662  26.534 -23.469
  727    HE1  TYR  93           HE2      TYR  93  11.860  31.180 -21.679
  728    HE2  TYR  93           HE1      TYR  93  13.135  28.204 -24.554
  729    HH   TYR  93           HH       TYR  93  13.323  31.614 -23.463
  730    H    THR  94           H        THR  94   8.984  24.403 -21.485
  731    HA   THR  94           HA       THR  94   6.576  24.014 -19.765
  732    HB   THR  94           HB       THR  94   7.413  21.971 -21.840
  733    HG1  THR  94           HG1      THR  94   6.736  23.802 -22.956
  734   HG21  THR  94          HG21      THR  94   6.028  21.166 -19.953
  735   HG22  THR  94          HG22      THR  94   4.807  22.407 -20.314
  736   HG23  THR  94          HG23      THR  94   5.137  21.105 -21.480
  737    H    ALA  95           H        ALA  95   6.929  22.745 -18.033
  738    HA   ALA  95           HA       ALA  95   9.561  21.376 -17.704
  739    HB1  ALA  95           HB1      ALA  95   9.570  23.502 -16.436
  740    HB2  ALA  95           HB2      ALA  95   8.036  23.061 -15.655
  741    HB3  ALA  95           HB3      ALA  95   9.501  22.116 -15.330
  742    H    LYS  96           H        LYS  96   9.417  19.522 -16.279
  743    HA   LYS  96           HA       LYS  96   6.837  18.123 -16.288
  744    HB2  LYS  96           HB2      LYS  96   9.581  17.532 -15.087
  745    HB3  LYS  96           HB3      LYS  96   8.172  16.494 -14.864
  746    HG2  LYS  96           HG2      LYS  96   8.015  15.930 -17.141
  747    HG3  LYS  96           HG3      LYS  96   9.146  17.198 -17.652
  748    HD2  LYS  96           HD2      LYS  96  10.001  15.001 -15.750
  749    HD3  LYS  96           HD3      LYS  96  10.010  14.741 -17.503
  750    HE2  LYS  96           HE2      LYS  96  11.685  16.301 -17.909
  751    HE3  LYS  96           HE3      LYS  96  11.337  17.227 -16.443
  752    HZ1  LYS  96           HZ1      LYS  96  13.410  15.931 -16.326
  753    HZ2  LYS  96           HZ2      LYS  96  12.353  15.637 -15.114
  754    HZ3  LYS  96           HZ3      LYS  96  12.549  14.539 -16.345
  755    H    LEU  97           H        LEU  97   5.478  18.049 -14.543
  756    HA   LEU  97           HA       LEU  97   5.810  19.859 -12.319
  757    HB2  LEU  97           HB2      LEU  97   3.595  18.941 -13.201
  758    HB3  LEU  97           HB3      LEU  97   4.036  17.400 -12.454
  759    HG   LEU  97           HG       LEU  97   4.116  18.528 -10.213
  760   HD11  LEU  97          HD11      LEU  97   3.016  20.808 -10.050
  761   HD12  LEU  97          HD12      LEU  97   4.606  20.843 -10.799
  762   HD13  LEU  97          HD13      LEU  97   3.145  20.947 -11.809
  763   HD21  LEU  97          HD21      LEU  97   1.688  18.776  -9.976
  764   HD22  LEU  97          HD22      LEU  97   1.511  18.906 -11.740
  765   HD23  LEU  97          HD23      LEU  97   2.082  17.390 -11.002
  766    H    SER  98           H        SER  98   6.777  16.575 -13.082
  767    HA   SER  98           HA       SER  98   7.602  15.657 -10.508
  768    HB2  SER  98           HB2      SER  98   8.545  14.968 -13.331
  769    HB3  SER  98           HB3      SER  98   8.880  14.014 -11.884
  770    HG   SER  98           HG       SER  98   6.684  13.989 -13.429
  771    H    ASP  99           H        ASP  99   8.802  18.349 -12.138
  772    HA   ASP  99           HA       ASP  99  11.382  18.190 -10.663
  773    HB2  ASP  99           HB2      ASP  99  10.912  18.908 -13.581
  774    HB3  ASP  99           HB3      ASP  99  12.292  19.538 -12.687
  775    H    ILE 100           H        ILE 100   8.508  19.571 -10.457
  776    HA   ILE 100           HA       ILE 100   9.546  22.338 -10.050
  777    HB   ILE 100           HB       ILE 100   7.015  21.292 -11.238
  778   HG12  ILE 100          HG12      ILE 100   9.079  22.344 -12.396
  779   HG13  ILE 100          HG13      ILE 100   7.455  22.776 -12.940
  780   HG21  ILE 100          HG21      ILE 100   5.999  22.496  -9.413
  781   HG22  ILE 100          HG22      ILE 100   7.008  23.925  -9.715
  782   HG23  ILE 100          HG23      ILE 100   5.795  23.411 -10.907
  783   HD11  ILE 100          HD11      ILE 100   9.063  24.664 -12.845
  784   HD12  ILE 100          HD12      ILE 100   7.598  24.939 -11.890
  785   HD13  ILE 100          HD13      ILE 100   9.119  24.498 -11.077
  786    H    GLU 101           H        GLU 101   9.033  23.344  -8.244
  787    HA   GLU 101           HA       GLU 101   7.418  21.971  -6.160
  788    HB2  GLU 101           HB2      GLU 101   9.851  21.605  -5.730
  789    HB3  GLU 101           HB3      GLU 101  10.097  23.358  -5.689
  790    HG2  GLU 101           HG2      GLU 101   8.492  23.506  -3.776
  791    HG3  GLU 101           HG3      GLU 101   8.281  21.753  -3.829
  792    H    ALA 102           H        ALA 102   5.717  23.330  -5.817
  793    HA   ALA 102           HA       ALA 102   5.732  26.007  -6.909
  794    HB1  ALA 102           HB1      ALA 102   3.703  24.641  -6.896
  795    HB2  ALA 102           HB2      ALA 102   3.708  24.610  -5.110
  796    HB3  ALA 102           HB3      ALA 102   3.471  26.131  -5.993
  797    H    ILE 103           H        ILE 103   5.448  27.939  -5.829
  798    HA   ILE 103           HA       ILE 103   6.351  28.062  -2.982
  799    HB   ILE 103           HB       ILE 103   6.913  29.901  -5.334
  800   HG12  ILE 103          HG12      ILE 103   8.891  28.336  -3.609
  801   HG13  ILE 103          HG13      ILE 103   8.295  27.745  -5.149
  802   HG21  ILE 103          HG21      ILE 103   6.577  31.227  -3.266
  803   HG22  ILE 103          HG22      ILE 103   7.785  30.222  -2.432
  804   HG23  ILE 103          HG23      ILE 103   8.251  31.272  -3.790
  805   HD11  ILE 103          HD11      ILE 103   9.215  29.763  -6.292
  806   HD12  ILE 103          HD12      ILE 103   9.965  30.251  -4.751
  807   HD13  ILE 103          HD13      ILE 103  10.434  28.735  -5.523
  808    H    ASP 104           H        ASP 104   5.061  29.113  -1.632
  809    HA   ASP 104           HA       ASP 104   3.238  30.043  -0.731
  810    HB2  ASP 104           HB2      ASP 104   4.710  31.919  -1.344
  811    HB3  ASP 104           HB3      ASP 104   3.806  32.137  -2.843
  812    H    VAL 105           H        VAL 105   2.371  28.034  -2.440
  813    HA   VAL 105           HA       VAL 105  -0.063  29.090  -3.773
  814    HB   VAL 105           HB       VAL 105  -0.406  26.736  -4.437
  815   HG11  VAL 105          HG11      VAL 105   2.224  27.969  -5.290
  816   HG12  VAL 105          HG12      VAL 105   1.279  26.748  -6.179
  817   HG13  VAL 105          HG13      VAL 105   0.603  28.356  -5.900
  818   HG21  VAL 105          HG21      VAL 105   1.363  25.074  -4.275
  819   HG22  VAL 105          HG22      VAL 105   2.386  26.179  -3.338
  820   HG23  VAL 105          HG23      VAL 105   0.854  25.566  -2.662
  821    H    ASP 106           H        ASP 106  -2.045  27.579  -3.376
  822    HA   ASP 106           HA       ASP 106  -2.787  27.726  -0.578
  823    HB2  ASP 106           HB2      ASP 106  -4.382  27.928  -2.581
  824    HB3  ASP 106           HB3      ASP 106  -4.166  26.174  -2.777
  825    H    ASP 107           H        ASP 107  -3.708  25.748   0.422
  826    HA   ASP 107           HA       ASP 107  -1.616  23.778   0.889
  827    HB2  ASP 107           HB2      ASP 107  -3.081  24.538   2.697
  828    HB3  ASP 107           HB3      ASP 107  -4.507  23.987   1.816
  829    H    ASP 108           H        ASP 108  -4.756  23.837  -0.909
  830    HA   ASP 108           HA       ASP 108  -4.713  20.994  -1.342
  831    HB2  ASP 108           HB2      ASP 108  -6.691  22.662  -1.385
  832    HB3  ASP 108           HB3      ASP 108  -6.191  23.026  -3.039
  833    H    THR 109           H        THR 109  -3.294  23.742  -3.030
  834    HA   THR 109           HA       THR 109  -2.630  22.330  -5.520
  835    HB   THR 109           HB       THR 109  -1.630  24.898  -4.216
  836    HG1  THR 109           HG1      THR 109  -3.889  24.749  -4.867
  837   HG21  THR 109          HG21      THR 109  -0.862  25.598  -6.421
  838   HG22  THR 109          HG22      THR 109  -0.016  24.112  -5.962
  839   HG23  THR 109          HG23      THR 109  -1.355  24.070  -7.130
  840    H    GLN 110           H        GLN 110  -0.967  23.257  -2.420
  841    HA   GLN 110           HA       GLN 110   1.500  22.069  -3.091
  842    HB2  GLN 110           HB2      GLN 110   0.766  23.659  -1.110
  843    HB3  GLN 110           HB3      GLN 110   0.488  22.158  -0.233
  844    HG2  GLN 110           HG2      GLN 110   3.091  23.077  -1.542
  845    HG3  GLN 110           HG3      GLN 110   2.734  23.128   0.177
  846   HE21  GLN 110          HE22      GLN 110   4.231  21.273  -2.248
  847   HE22  GLN 110          HE21      GLN 110   4.258  19.733  -1.428
  848    H    GLU 111           H        GLU 111  -1.372  20.665  -1.379
  849    HA   GLU 111           HA       GLU 111  -0.215  18.120  -0.934
  850    HB2  GLU 111           HB2      GLU 111  -3.075  19.105  -1.202
  851    HB3  GLU 111           HB3      GLU 111  -2.735  17.394  -0.976
  852    HG2  GLU 111           HG2      GLU 111  -1.791  19.608   0.878
  853    HG3  GLU 111           HG3      GLU 111  -3.211  18.595   1.147
  854    H    ALA 112           H        ALA 112  -2.029  19.331  -3.809
  855    HA   ALA 112           HA       ALA 112  -2.114  16.802  -5.130
  856    HB1  ALA 112           HB1      ALA 112  -2.428  18.163  -7.182
  857    HB2  ALA 112           HB2      ALA 112  -3.452  18.716  -5.841
  858    HB3  ALA 112           HB3      ALA 112  -1.987  19.625  -6.273
  859    H    ILE 113           H        ILE 113   0.370  19.385  -5.103
  860    HA   ILE 113           HA       ILE 113   2.115  18.146  -7.021
  861    HB   ILE 113           HB       ILE 113   2.537  20.217  -4.846
  862   HG12  ILE 113          HG12      ILE 113   2.533  20.639  -7.855
  863   HG13  ILE 113          HG13      ILE 113   1.031  20.634  -6.942
  864   HG21  ILE 113          HG21      ILE 113   4.507  19.330  -6.999
  865   HG22  ILE 113          HG22      ILE 113   4.696  20.780  -5.992
  866   HG23  ILE 113          HG23      ILE 113   4.709  19.195  -5.237
  867   HD11  ILE 113          HD11      ILE 113   1.847  22.428  -5.482
  868   HD12  ILE 113          HD12      ILE 113   3.348  22.497  -6.435
  869   HD13  ILE 113          HD13      ILE 113   1.790  22.909  -7.190
  870    H    ALA 114           H        ALA 114   2.158  18.219  -3.414
  871    HA   ALA 114           HA       ALA 114   4.424  16.607  -3.044
  872    HB1  ALA 114           HB1      ALA 114   3.526  16.217  -0.784
  873    HB2  ALA 114           HB2      ALA 114   3.349  17.920  -1.237
  874    HB3  ALA 114           HB3      ALA 114   1.940  16.838  -1.281
  875    H    ASP 115           H        ASP 115   0.960  15.694  -3.322
  876    HA   ASP 115           HA       ASP 115   1.326  12.923  -2.890
  877    HB2  ASP 115           HB2      ASP 115  -0.830  14.247  -2.817
  878    HB3  ASP 115           HB3      ASP 115  -0.854  14.185  -4.584
  879    H    TRP 116           H        TRP 116   1.520  14.857  -5.866
  880    HA   TRP 116           HA       TRP 116   1.811  12.591  -7.652
  881    HB2  TRP 116           HB2      TRP 116   1.060  14.711  -8.534
  882    HB3  TRP 116           HB3      TRP 116   2.487  15.543  -7.922
  883    HD1  TRP 116           HD1      TRP 116   4.493  15.724  -9.493
  884    HE1  TRP 116           HE1      TRP 116   5.305  14.560 -11.631
  885    HE3  TRP 116           HE3      TRP 116   0.830  12.186  -9.983
  886    HZ2  TRP 116           HZ2      TRP 116   4.301  12.620 -13.500
  887    HZ3  TRP 116           HZ3      TRP 116   0.785  10.681 -11.945
  888    HH2  TRP 116           HH2      TRP 116   2.520  10.887 -13.721
  889    H    LEU 117           H        LEU 117   4.091  14.732  -5.853
  890    HA   LEU 117           HA       LEU 117   6.446  13.527  -6.969
  891    HB2  LEU 117           HB2      LEU 117   5.995  15.123  -4.425
  892    HB3  LEU 117           HB3      LEU 117   7.580  14.578  -4.961
  893    HG   LEU 117           HG       LEU 117   5.771  16.393  -6.622
  894   HD11  LEU 117          HD11      LEU 117   6.475  17.492  -4.539
  895   HD12  LEU 117          HD12      LEU 117   8.174  17.103  -4.893
  896   HD13  LEU 117          HD13      LEU 117   7.267  18.213  -5.948
  897   HD21  LEU 117          HD21      LEU 117   8.690  15.609  -6.982
  898   HD22  LEU 117          HD22      LEU 117   7.331  15.183  -8.047
  899   HD23  LEU 117          HD23      LEU 117   7.835  16.864  -7.906
  900    H    TYR 118           H        TYR 118   4.375  12.650  -4.168
  901    HA   TYR 118           HA       TYR 118   6.099  10.540  -3.260
  902    HB2  TYR 118           HB2      TYR 118   3.064  10.593  -3.168
  903    HB3  TYR 118           HB3      TYR 118   4.121   9.569  -2.221
  904    HD1  TYR 118           HD1      TYR 118   6.174  11.896  -1.484
  905    HD2  TYR 118           HD2      TYR 118   1.877  11.493  -1.313
  906    HE1  TYR 118           HE1      TYR 118   6.085  13.610   0.285
  907    HE2  TYR 118           HE2      TYR 118   1.775  13.262   0.399
  908    HH   TYR 118           HH       TYR 118   3.000  14.709   1.771
  909    H    TRP 119           H        TRP 119   3.296  10.497  -5.584
  910    HA   TRP 119           HA       TRP 119   3.520   7.813  -6.366
  911    HB2  TRP 119           HB2      TRP 119   1.627   9.028  -7.021
  912    HB3  TRP 119           HB3      TRP 119   2.559  10.332  -7.721
  913    HD1  TRP 119           HD1      TRP 119   3.908   9.744 -10.050
  914    HE1  TRP 119           HE1      TRP 119   3.188   8.359 -12.039
  915    HE3  TRP 119           HE3      TRP 119   0.090   7.108  -7.849
  916    HZ2  TRP 119           HZ2      TRP 119   1.126   6.465 -12.666
  917    HZ3  TRP 119           HZ3      TRP 119  -1.382   5.685  -9.245
  918    HH2  TRP 119           HH2      TRP 119  -0.894   5.353 -11.655
  919    H    LEU 120           H        LEU 120   5.327  10.646  -7.698
  920    HA   LEU 120           HA       LEU 120   6.836   9.279  -9.638
  921    HB2  LEU 120           HB2      LEU 120   6.701  11.706  -9.470
  922    HB3  LEU 120           HB3      LEU 120   7.402  11.671  -7.861
  923    HG   LEU 120           HG       LEU 120   9.568  10.840  -8.829
  924   HD11  LEU 120          HD11      LEU 120   8.774   9.878 -10.943
  925   HD12  LEU 120          HD12      LEU 120   8.181  11.476 -11.474
  926   HD13  LEU 120          HD13      LEU 120   9.921  11.178 -11.269
  927   HD21  LEU 120          HD21      LEU 120  10.146  13.091  -9.767
  928   HD22  LEU 120          HD22      LEU 120   8.409  13.489  -9.762
  929   HD23  LEU 120          HD23      LEU 120   9.255  13.164  -8.240
  930    H    ALA 121           H        ALA 121   7.660   9.948  -6.178
  931    HA   ALA 121           HA       ALA 121  10.136   8.544  -6.234
  932    HB1  ALA 121           HB1      ALA 121   9.975   8.713  -3.762
  933    HB2  ALA 121           HB2      ALA 121   9.601  10.254  -4.562
  934    HB3  ALA 121           HB3      ALA 121   8.287   9.246  -3.920
  935    H    ARG 122           H        ARG 122   6.805   7.359  -5.813
  936    HA   ARG 122           HA       ARG 122   7.585   4.809  -4.688
  937    HB2  ARG 122           HB2      ARG 122   5.040   5.717  -6.119
  938    HB3  ARG 122           HB3      ARG 122   5.254   4.106  -5.435
  939    HG2  ARG 122           HG2      ARG 122   5.643   5.086  -3.194
  940    HG3  ARG 122           HG3      ARG 122   5.399   6.690  -3.860
  941    HD2  ARG 122           HD2      ARG 122   3.381   6.120  -2.826
  942    HD3  ARG 122           HD3      ARG 122   3.088   5.971  -4.576
  943    HE   ARG 122           HE       ARG 122   3.962   3.536  -3.146
  944   HH11  ARG 122          HH11      ARG 122   1.103   5.337  -4.272
  945   HH12  ARG 122          HH12      ARG 122   0.019   4.001  -4.003
  946   HH21  ARG 122          HH21      ARG 122   2.616   1.913  -2.734
  947   HH22  ARG 122          HH22      ARG 122   0.907   1.938  -3.167
  948    H    GLY 123           H        GLY 123   8.001   6.119  -7.849
  949    HA2  GLY 123           HA2      GLY 123   8.771   5.113  -9.763
  950    HA3  GLY 123           HA3      GLY 123   8.708   3.523  -8.981
  951    H    TYR 124           H        TYR 124   6.045   5.903  -9.244
  952    HA   TYR 124           HA       TYR 124   4.027   5.944 -10.151
  953    HB2  TYR 124           HB2      TYR 124   5.797   4.764 -12.244
  954    HB3  TYR 124           HB3      TYR 124   4.085   4.783 -12.578
  955    HD1  TYR 124           HD1      TYR 124   6.416   7.320 -10.981
  956    HD2  TYR 124           HD2      TYR 124   3.633   6.401 -14.159
  957    HE1  TYR 124           HE1      TYR 124   6.686   9.589 -11.867
  958    HE2  TYR 124           HE2      TYR 124   3.946   8.669 -15.077
  959    HH   TYR 124           HH       TYR 124   6.227  11.038 -13.636
  960    H    LYS 125           H        LYS 125   2.270   4.570 -11.392
  961    HA   LYS 125           HA       LYS 125   2.282   1.736 -10.529
  962    HB2  LYS 125           HB2      LYS 125  -0.221   3.422 -10.202
  963    HB3  LYS 125           HB3      LYS 125   0.015   1.734  -9.786
  964    HG2  LYS 125           HG2      LYS 125   1.656   2.414  -8.012
  965    HG3  LYS 125           HG3      LYS 125   1.372   4.109  -8.436
  966    HD2  LYS 125           HD2      LYS 125   0.056   3.677  -6.516
  967    HD3  LYS 125           HD3      LYS 125  -1.068   3.787  -7.873
  968    HE2  LYS 125           HE2      LYS 125  -1.107   1.271  -7.988
  969    HE3  LYS 125           HE3      LYS 125  -0.021   1.219  -6.593
  970    HZ1  LYS 125           HZ1      LYS 125  -1.756   2.373  -5.305
  971    HZ2  LYS 125           HZ2      LYS 125  -2.768   2.330  -6.598
  972    HZ3  LYS 125           HZ3      LYS 125  -2.286   0.940  -5.891
  973    H    PHE 126           H        PHE 126   0.805   4.291 -12.629
  974    HA   PHE 126           HA       PHE 126  -0.203   2.298 -14.477
  975    HB2  PHE 126           HB2      PHE 126  -0.866   3.988 -15.888
  976    HB3  PHE 126           HB3      PHE 126  -1.233   4.524 -14.278
  977    HD1  PHE 126           HD1      PHE 126   1.555   4.929 -16.840
  978    HD2  PHE 126           HD2      PHE 126  -1.036   6.817 -13.951
  979    HE1  PHE 126           HE1      PHE 126   2.514   7.133 -17.408
  980    HE2  PHE 126           HE2      PHE 126  -0.056   9.014 -14.512
  981    HZ   PHE 126           HZ       PHE 126   1.718   9.185 -16.248
  Start of MODEL    4
    1    H1   MET   1           H1       MET   1   7.410  -1.535  -7.488
    2    H2   MET   1           H2       MET   1   8.828  -0.853  -7.911
    3    H3   MET   1           H3       MET   1   8.758  -2.463  -7.576
    4    HA   MET   1           HA       MET   1   8.146  -2.010  -5.308
    5    HB2  MET   1           HB2      MET   1  10.278  -1.335  -4.456
    6    HB3  MET   1           HB3      MET   1  10.539  -2.372  -5.846
    7    HG2  MET   1           HG2      MET   1  11.058  -0.418  -7.250
    8    HG3  MET   1           HG3      MET   1  10.715   0.677  -5.911
    9    HE1  MET   1           HE1      MET   1  12.256   1.203  -3.943
   10    HE2  MET   1           HE2      MET   1  12.126  -0.468  -3.347
   11    HE3  MET   1           HE3      MET   1  13.720   0.290  -3.524
   12    H    ALA   2           H        ALA   2   8.381  -0.282  -3.515
   13    HA   ALA   2           HA       ALA   2   7.911   2.477  -4.343
   14    HB1  ALA   2           HB1      ALA   2   5.602   1.693  -4.298
   15    HB2  ALA   2           HB2      ALA   2   5.874   0.831  -2.767
   16    HB3  ALA   2           HB3      ALA   2   5.887   2.597  -2.798
   17    H    SER   3           H        SER   3   8.162   3.900  -2.518
   18    HA   SER   3           HA       SER   3   9.643   2.740  -0.207
   19    HB2  SER   3           HB2      SER   3  10.378   5.212  -1.831
   20    HB3  SER   3           HB3      SER   3  11.331   4.467  -0.535
   21    HG   SER   3           HG       SER   3  12.077   3.888  -2.622
   22    H    VAL   4           H        VAL   4   6.843   3.883  -0.539
   23    HA   VAL   4           HA       VAL   4   6.879   5.366   1.961
   24    HB   VAL   4           HB       VAL   4   7.218   7.082   0.172
   25   HG11  VAL   4          HG11      VAL   4   5.797   6.181  -1.616
   26   HG12  VAL   4          HG12      VAL   4   4.357   6.605  -0.656
   27   HG13  VAL   4          HG13      VAL   4   5.444   7.872  -1.224
   28   HG21  VAL   4          HG21      VAL   4   4.724   7.384   1.851
   29   HG22  VAL   4          HG22      VAL   4   6.391   7.715   2.349
   30   HG23  VAL   4          HG23      VAL   4   5.634   8.707   1.092
   31    H    GLU   5           H        GLU   5   6.278   2.831   1.634
   32    HA   GLU   5           HA       GLU   5   3.867   2.008   0.540
   33    HB2  GLU   5           HB2      GLU   5   5.603   0.920   2.778
   34    HB3  GLU   5           HB3      GLU   5   4.198   0.032   2.204
   35    HG2  GLU   5           HG2      GLU   5   6.330   0.939   0.236
   36    HG3  GLU   5           HG3      GLU   5   6.553  -0.498   1.225
   37    H    ARG   6           H        ARG   6   4.189   3.673   3.671
   38    HA   ARG   6           HA       ARG   6   1.609   2.664   4.595
   39    HB2  ARG   6           HB2      ARG   6   2.078   3.897   6.588
   40    HB3  ARG   6           HB3      ARG   6   3.532   3.059   6.090
   41    HG2  ARG   6           HG2      ARG   6   4.578   5.046   6.433
   42    HG3  ARG   6           HG3      ARG   6   3.946   5.480   4.842
   43    HD2  ARG   6           HD2      ARG   6   1.795   6.131   6.310
   44    HD3  ARG   6           HD3      ARG   6   2.990   6.250   7.589
   45    HE   ARG   6           HE       ARG   6   4.130   7.983   6.372
   46   HH11  ARG   6          HH21      ARG   6   0.969   7.099   4.975
   47   HH12  ARG   6          HH22      ARG   6   0.937   8.468   3.895
   48   HH21  ARG   6          HH11      ARG   6   4.010   9.816   4.961
   49   HH22  ARG   6          HH12      ARG   6   2.643  10.025   3.927
   50    H    ASP   7           H        ASP   7   2.286   4.687   2.121
   51    HA   ASP   7           HA       ASP   7   0.153   6.654   2.747
   52    HB2  ASP   7           HB2      ASP   7   2.557   7.298   2.118
   53    HB3  ASP   7           HB3      ASP   7   2.136   6.826   0.472
   54    H    GLU   8           H        GLU   8  -0.045   3.734   1.733
   55    HA   GLU   8           HA       GLU   8  -1.401   3.744  -0.757
   56    HB2  GLU   8           HB2      GLU   8  -1.637   2.063   1.768
   57    HB3  GLU   8           HB3      GLU   8  -2.634   1.732   0.357
   58    HG2  GLU   8           HG2      GLU   8   0.405   1.820   0.224
   59    HG3  GLU   8           HG3      GLU   8  -0.500   0.358   0.605
   60    H    THR   9           H        THR   9  -2.282   5.217   2.240
   61    HA   THR   9           HA       THR   9  -5.107   5.378   2.193
   62    HB   THR   9           HB       THR   9  -4.413   7.631   3.284
   63    HG1  THR   9           HG1      THR   9  -2.276   7.954   3.648
   64   HG21  THR   9          HG21      THR   9  -4.806   5.556   4.645
   65   HG22  THR   9          HG22      THR   9  -3.095   5.112   4.426
   66   HG23  THR   9          HG23      THR   9  -3.523   6.574   5.328
   67    H    ARG  10           H        ARG  10  -2.577   7.338   0.616
   68    HA   ARG  10           HA       ARG  10  -4.521   9.033  -0.738
   69    HB2  ARG  10           HB2      ARG  10  -1.591   8.926  -0.430
   70    HB3  ARG  10           HB3      ARG  10  -2.075   9.314  -2.084
   71    HG2  ARG  10           HG2      ARG  10  -3.412  11.176  -1.383
   72    HG3  ARG  10           HG3      ARG  10  -3.228  10.770   0.334
   73    HD2  ARG  10           HD2      ARG  10  -0.830  11.332  -1.423
   74    HD3  ARG  10           HD3      ARG  10  -1.732  12.654  -0.681
   75    HE   ARG  10           HE       ARG  10  -0.147  10.509   0.665
   76   HH11  ARG  10          HH11      ARG  10  -1.857  13.647   0.981
   77   HH12  ARG  10          HH12      ARG  10  -1.330  13.905   2.595
   78   HH21  ARG  10          HH21      ARG  10   0.363  10.777   2.769
   79   HH22  ARG  10          HH22      ARG  10   0.018  12.243   3.669
   80    H    GLU  11           H        GLU  11  -2.729   6.068  -1.606
   81    HA   GLU  11           HA       GLU  11  -3.456   6.147  -4.390
   82    HB2  GLU  11           HB2      GLU  11  -2.772   3.864  -2.505
   83    HB3  GLU  11           HB3      GLU  11  -3.194   3.587  -4.184
   84    HG2  GLU  11           HG2      GLU  11  -0.955   5.399  -3.216
   85    HG3  GLU  11           HG3      GLU  11  -0.733   3.750  -3.802
   86    H    HIS  12           H        HIS  12  -5.169   4.874  -1.497
   87    HA   HIS  12           HA       HIS  12  -7.406   3.865  -2.949
   88    HB2  HIS  12           HB2      HIS  12  -6.826   3.437  -0.529
   89    HB3  HIS  12           HB3      HIS  12  -7.442   5.042  -0.142
   90    HD1  HIS  12           HD1      HIS  12  -9.923   4.137  -2.521
   91    HD2  HIS  12           HD2      HIS  12  -8.839   2.719   1.293
   92    HE1  HIS  12           HE1      HIS  12 -11.961   2.899  -1.607
   93    H    ARG  13           H        ARG  13  -6.720   7.163  -1.675
   94    HA   ARG  13           HA       ARG  13  -9.229   8.277  -2.536
   95    HB2  ARG  13           HB2      ARG  13  -6.564   9.691  -2.168
   96    HB3  ARG  13           HB3      ARG  13  -8.129  10.467  -2.315
   97    HG2  ARG  13           HG2      ARG  13  -7.271   8.683   0.016
   98    HG3  ARG  13           HG3      ARG  13  -7.265  10.431  -0.019
   99    HD2  ARG  13           HD2      ARG  13  -9.193   9.991   1.144
  100    HD3  ARG  13           HD3      ARG  13  -9.809  10.289  -0.471
  101    HE   ARG  13           HE       ARG  13  -9.444   7.639   0.879
  102   HH11  ARG  13          HH11      ARG  13 -11.215   9.559  -1.592
  103   HH12  ARG  13          HH12      ARG  13 -11.969   8.133  -2.235
  104   HH21  ARG  13          HH21      ARG  13 -10.767   5.888   0.165
  105   HH22  ARG  13          HH22      ARG  13 -11.898   6.141  -1.116
  106    H    ILE  14           H        ILE  14  -6.040   8.105  -4.179
  107    HA   ILE  14           HA       ILE  14  -6.796   9.401  -6.551
  108    HB   ILE  14           HB       ILE  14  -4.792   7.250  -5.843
  109   HG12  ILE  14          HG12      ILE  14  -4.193   9.973  -7.007
  110   HG13  ILE  14          HG13      ILE  14  -4.640   9.835  -5.300
  111   HG21  ILE  14          HG21      ILE  14  -5.179   8.369  -8.645
  112   HG22  ILE  14          HG22      ILE  14  -3.730   7.506  -8.098
  113   HG23  ILE  14          HG23      ILE  14  -5.268   6.665  -8.119
  114   HD11  ILE  14          HD11      ILE  14  -2.189   9.814  -5.700
  115   HD12  ILE  14          HD12      ILE  14  -2.777   8.395  -4.830
  116   HD13  ILE  14          HD13      ILE  14  -2.344   8.272  -6.548
  117    H    GLU  15           H        GLU  15  -7.026   5.917  -5.706
  118    HA   GLU  15           HA       GLU  15  -8.049   5.002  -8.120
  119    HB2  GLU  15           HB2      GLU  15  -7.159   3.540  -6.437
  120    HB3  GLU  15           HB3      GLU  15  -8.373   4.034  -5.252
  121    HG2  GLU  15           HG2      GLU  15 -10.145   2.968  -6.496
  122    HG3  GLU  15           HG3      GLU  15  -9.052   2.596  -7.839
  123    H    THR  16           H        THR  16  -9.823   6.500  -5.407
  124    HA   THR  16           HA       THR  16 -12.381   5.898  -6.773
  125    HB   THR  16           HB       THR  16 -13.378   6.481  -4.560
  126    HG1  THR  16           HG1      THR  16 -10.682   6.345  -3.635
  127   HG21  THR  16          HG21      THR  16 -12.729   4.392  -3.479
  128   HG22  THR  16          HG22      THR  16 -12.920   4.143  -5.220
  129   HG23  THR  16          HG23      THR  16 -11.292   4.253  -4.521
  130    H    GLU  17           H        GLU  17 -10.323   8.608  -6.405
  131    HA   GLU  17           HA       GLU  17 -12.568  10.421  -7.181
  132    HB2  GLU  17           HB2      GLU  17 -10.228  11.045  -5.340
  133    HB3  GLU  17           HB3      GLU  17 -11.481  12.169  -5.850
  134    HG2  GLU  17           HG2      GLU  17 -13.212  10.737  -4.767
  135    HG3  GLU  17           HG3      GLU  17 -11.939   9.667  -4.175
  136    H    ILE  18           H        ILE  18  -9.387   9.366  -8.169
  137    HA   ILE  18           HA       ILE  18  -9.132  11.819  -9.876
  138    HB   ILE  18           HB       ILE  18  -6.924  10.182  -8.594
  139   HG12  ILE  18          HG12      ILE  18  -8.076  12.944  -7.991
  140   HG13  ILE  18          HG13      ILE  18  -8.108  11.539  -6.932
  141   HG21  ILE  18          HG21      ILE  18  -5.376  11.844  -9.503
  142   HG22  ILE  18          HG22      ILE  18  -6.265  11.093 -10.812
  143   HG23  ILE  18          HG23      ILE  18  -6.727  12.714 -10.267
  144   HD11  ILE  18          HD11      ILE  18  -5.645  13.155  -7.665
  145   HD12  ILE  18          HD12      ILE  18  -6.484  13.084  -6.109
  146   HD13  ILE  18          HD13      ILE  18  -5.640  11.653  -6.711
  147    H    ILE  19           H        ILE  19  -8.428   8.263  -9.761
  148    HA   ILE  19           HA       ILE  19  -8.598   8.274 -12.746
  149    HB   ILE  19           HB       ILE  19  -7.132   6.397 -12.752
  150   HG12  ILE  19          HG12      ILE  19  -6.868   6.853  -9.754
  151   HG13  ILE  19          HG13      ILE  19  -7.664   5.472 -10.523
  152   HG21  ILE  19          HG21      ILE  19  -5.109   7.652 -12.434
  153   HG22  ILE  19          HG22      ILE  19  -6.351   8.770 -12.978
  154   HG23  ILE  19          HG23      ILE  19  -5.882   8.736 -11.261
  155   HD11  ILE  19          HD11      ILE  19  -5.519   4.955 -11.670
  156   HD12  ILE  19          HD12      ILE  19  -4.743   6.228 -10.685
  157   HD13  ILE  19          HD13      ILE  19  -5.467   4.807  -9.888
  158    H    VAL  20           H        VAL  20 -10.679   7.808 -10.432
  159    HA   VAL  20           HA       VAL  20 -11.604   5.192 -10.554
  160    HB   VAL  20           HB       VAL  20 -12.303   6.992  -9.024
  161   HG11  VAL  20          HG11      VAL  20 -14.092   8.546  -9.549
  162   HG12  VAL  20          HG12      VAL  20 -12.712   8.838 -10.612
  163   HG13  VAL  20          HG13      VAL  20 -14.144   7.981 -11.229
  164   HG21  VAL  20          HG21      VAL  20 -14.597   6.258  -8.694
  165   HG22  VAL  20          HG22      VAL  20 -14.659   5.602 -10.345
  166   HG23  VAL  20          HG23      VAL  20 -13.567   4.886  -9.137
  167    H    ASP  21           H        ASP  21 -12.045   7.763 -12.968
  168    HA   ASP  21           HA       ASP  21 -13.936   6.168 -14.546
  169    HB2  ASP  21           HB2      ASP  21 -14.171   8.620 -14.238
  170    HB3  ASP  21           HB3      ASP  21 -12.630   8.866 -15.062
  171    H    ALA  22           H        ALA  22 -10.576   6.119 -14.212
  172    HA   ALA  22           HA       ALA  22  -9.834   6.079 -17.031
  173    HB1  ALA  22           HB1      ALA  22  -7.581   5.680 -16.205
  174    HB2  ALA  22           HB2      ALA  22  -8.305   6.983 -15.251
  175    HB3  ALA  22           HB3      ALA  22  -8.183   5.331 -14.584
  176    H    GLU  23           H        GLU  23  -8.322   4.138 -17.665
  177    HA   GLU  23           HA       GLU  23  -9.326   1.508 -16.825
  178    HB2  GLU  23           HB2      GLU  23 -10.970   2.394 -18.541
  179    HB3  GLU  23           HB3      GLU  23  -9.643   2.509 -19.692
  180    HG2  GLU  23           HG2      GLU  23 -10.850   0.498 -20.153
  181    HG3  GLU  23           HG3      GLU  23  -9.299   0.023 -19.484
  182    H    ASP  24           H        ASP  24  -7.261   3.459 -19.057
  183    HA   ASP  24           HA       ASP  24  -5.085   1.453 -18.760
  184    HB2  ASP  24           HB2      ASP  24  -6.362   1.348 -20.993
  185    HB3  ASP  24           HB3      ASP  24  -5.672   2.946 -21.316
  186    H    LYS  25           H        LYS  25  -3.025   2.572 -19.590
  187    HA   LYS  25           HA       LYS  25  -2.323   4.479 -17.696
  188    HB2  LYS  25           HB2      LYS  25  -0.188   4.642 -18.888
  189    HB3  LYS  25           HB3      LYS  25  -0.762   2.993 -18.693
  190    HG2  LYS  25           HG2      LYS  25  -1.644   3.210 -21.154
  191    HG3  LYS  25           HG3      LYS  25  -0.666   4.673 -21.222
  192    HD2  LYS  25           HD2      LYS  25   0.608   2.832 -22.146
  193    HD3  LYS  25           HD3      LYS  25   1.348   3.351 -20.636
  194    HE2  LYS  25           HE2      LYS  25   1.391   0.959 -20.675
  195    HE3  LYS  25           HE3      LYS  25   0.221   1.446 -19.448
  196    HZ1  LYS  25           HZ1      LYS  25  -0.507   0.578 -22.190
  197    HZ2  LYS  25           HZ2      LYS  25  -0.544  -0.381 -20.875
  198    HZ3  LYS  25           HZ3      LYS  25  -1.567   0.881 -20.964
  199    H    GLU  26           H        GLU  26  -3.392   5.110 -21.026
  200    HA   GLU  26           HA       GLU  26  -2.618   7.912 -21.030
  201    HB2  GLU  26           HB2      GLU  26  -4.595   6.289 -22.697
  202    HB3  GLU  26           HB3      GLU  26  -4.264   8.003 -22.965
  203    HG2  GLU  26           HG2      GLU  26  -1.862   7.495 -23.332
  204    HG3  GLU  26           HG3      GLU  26  -2.182   5.777 -23.092
  205    H    GLU  27           H        GLU  27  -5.555   6.048 -20.127
  206    HA   GLU  27           HA       GLU  27  -7.152   8.424 -19.651
  207    HB2  GLU  27           HB2      GLU  27  -7.605   5.586 -18.661
  208    HB3  GLU  27           HB3      GLU  27  -8.786   6.889 -18.765
  209    HG2  GLU  27           HG2      GLU  27  -7.465   5.416 -21.075
  210    HG3  GLU  27           HG3      GLU  27  -9.137   5.287 -20.552
  211    H    ARG  28           H        ARG  28  -5.067   6.253 -17.670
  212    HA   ARG  28           HA       ARG  28  -5.800   7.464 -15.150
  213    HB2  ARG  28           HB2      ARG  28  -3.312   5.920 -16.031
  214    HB3  ARG  28           HB3      ARG  28  -3.557   6.536 -14.388
  215    HG2  ARG  28           HG2      ARG  28  -5.679   5.270 -14.228
  216    HG3  ARG  28           HG3      ARG  28  -5.386   4.553 -15.810
  217    HD2  ARG  28           HD2      ARG  28  -3.380   4.291 -13.530
  218    HD3  ARG  28           HD3      ARG  28  -4.782   3.240 -13.618
  219    HE   ARG  28           HE       ARG  28  -2.366   2.963 -15.091
  220   HH11  ARG  28          HH11      ARG  28  -5.834   2.252 -15.228
  221   HH12  ARG  28          HH12      ARG  28  -5.686   1.028 -16.435
  222   HH21  ARG  28          HH21      ARG  28  -2.114   1.419 -16.619
  223   HH22  ARG  28          HH22      ARG  28  -3.444   0.413 -17.147
  224    H    ALA  29           H        ALA  29  -3.249   8.231 -17.570
  225    HA   ALA  29           HA       ALA  29  -2.134  10.400 -16.118
  226    HB1  ALA  29           HB1      ALA  29  -1.177  11.044 -18.257
  227    HB2  ALA  29           HB2      ALA  29  -1.079   9.288 -18.078
  228    HB3  ALA  29           HB3      ALA  29  -2.318  10.001 -19.135
  229    H    MET  30           H        MET  30  -4.884  10.280 -18.486
  230    HA   MET  30           HA       MET  30  -5.408  13.091 -18.339
  231    HB2  MET  30           HB2      MET  30  -7.178  10.756 -19.088
  232    HB3  MET  30           HB3      MET  30  -7.704  12.436 -19.146
  233    HG2  MET  30           HG2      MET  30  -5.358  11.297 -20.711
  234    HG3  MET  30           HG3      MET  30  -6.969  11.604 -21.329
  235    HE1  MET  30           HE1      MET  30  -3.491  14.491 -21.090
  236    HE2  MET  30           HE2      MET  30  -3.980  13.993 -19.470
  237    HE3  MET  30           HE3      MET  30  -3.535  12.766 -20.665
  238    H    GLY  31           H        GLY  31  -6.620  10.386 -16.302
  239    HA2  GLY  31           HA2      GLY  31  -8.488  11.846 -14.794
  240    HA3  GLY  31           HA3      GLY  31  -7.547  10.457 -14.216
  241    H    TRP  32           H        TRP  32  -4.977  11.301 -14.104
  242    HA   TRP  32           HA       TRP  32  -4.779  13.060 -11.873
  243    HB2  TRP  32           HB2      TRP  32  -2.829  11.975 -13.913
  244    HB3  TRP  32           HB3      TRP  32  -2.340  13.292 -12.867
  245    HD1  TRP  32           HD1      TRP  32  -3.008   9.593 -12.759
  246    HE1  TRP  32           HE1      TRP  32  -2.040   8.656 -10.577
  247    HE3  TRP  32           HE3      TRP  32  -2.105  13.999 -10.340
  248    HZ2  TRP  32           HZ2      TRP  32  -1.140   9.718  -8.014
  249    HZ3  TRP  32           HZ3      TRP  32  -1.214  14.016  -8.021
  250    HH2  TRP  32           HH2      TRP  32  -0.719  11.871  -6.861
  251    H    TYR  33           H        TYR  33  -4.269  13.711 -15.385
  252    HA   TYR  33           HA       TYR  33  -3.345  16.347 -15.074
  253    HB2  TYR  33           HB2      TYR  33  -2.987  15.225 -17.135
  254    HB3  TYR  33           HB3      TYR  33  -4.681  14.819 -17.300
  255    HD1  TYR  33           HD1      TYR  33  -2.722  18.044 -16.926
  256    HD2  TYR  33           HD2      TYR  33  -5.765  15.838 -19.031
  257    HE1  TYR  33           HE1      TYR  33  -3.169  20.018 -18.351
  258    HE2  TYR  33           HE2      TYR  33  -6.267  17.819 -20.408
  259    HH   TYR  33           HH       TYR  33  -5.714  20.040 -20.885
  260    H    TYR  34           H        TYR  34  -6.735  15.163 -15.609
  261    HA   TYR  34           HA       TYR  34  -7.864  17.785 -15.798
  262    HB2  TYR  34           HB2      TYR  34  -9.119  15.153 -14.925
  263    HB3  TYR  34           HB3      TYR  34  -9.996  16.604 -15.376
  264    HD1  TYR  34           HD2      TYR  34  -7.703  16.876 -17.871
  265    HD2  TYR  34           HD1      TYR  34 -10.669  14.043 -16.509
  266    HE1  TYR  34           HE2      TYR  34  -7.989  16.061 -20.181
  267    HE2  TYR  34           HE1      TYR  34 -10.934  13.204 -18.823
  268    HH   TYR  34           HH       TYR  34  -9.081  14.562 -21.589
  269    H    TYR  35           H        TYR  35  -7.401  15.490 -13.040
  270    HA   TYR  35           HA       TYR  35  -8.845  17.064 -11.162
  271    HB2  TYR  35           HB2      TYR  35  -8.244  14.658 -10.917
  272    HB3  TYR  35           HB3      TYR  35  -6.557  15.112 -10.693
  273    HD1  TYR  35           HD2      TYR  35  -9.996  15.421  -9.255
  274    HD2  TYR  35           HD1      TYR  35  -5.764  15.828  -8.534
  275    HE1  TYR  35           HE2      TYR  35 -10.439  15.706  -6.836
  276    HE2  TYR  35           HE1      TYR  35  -6.190  16.135  -6.122
  277    HH   TYR  35           HH       TYR  35  -7.807  16.232  -4.439
  278    H    LEU  36           H        LEU  36  -5.325  16.988 -11.991
  279    HA   LEU  36           HA       LEU  36  -4.569  18.938 -10.023
  280    HB2  LEU  36           HB2      LEU  36  -3.303  17.598 -12.398
  281    HB3  LEU  36           HB3      LEU  36  -2.626  19.133 -11.908
  282    HG   LEU  36           HG       LEU  36  -2.040  18.385  -9.740
  283   HD11  LEU  36          HD11      LEU  36  -2.463  16.065  -8.918
  284   HD12  LEU  36          HD12      LEU  36  -3.916  17.049  -9.026
  285   HD13  LEU  36          HD13      LEU  36  -3.594  15.825 -10.275
  286   HD21  LEU  36          HD21      LEU  36  -0.586  17.673 -11.640
  287   HD22  LEU  36          HD22      LEU  36  -0.485  16.565 -10.258
  288   HD23  LEU  36          HD23      LEU  36  -1.439  16.120 -11.692
  289    H    ASP  37           H        ASP  37  -5.428  19.201 -13.530
  290    HA   ASP  37           HA       ASP  37  -4.981  21.983 -13.717
  291    HB2  ASP  37           HB2      ASP  37  -5.312  20.555 -15.674
  292    HB3  ASP  37           HB3      ASP  37  -6.957  20.172 -15.160
  293    H    ASP  38           H        ASP  38  -7.767  20.188 -12.415
  294    HA   ASP  38           HA       ASP  38  -9.403  22.587 -12.113
  295    HB2  ASP  38           HB2      ASP  38 -10.392  20.363 -12.491
  296    HB3  ASP  38           HB3      ASP  38  -9.685  19.776 -10.985
  297    H    THR  39           H        THR  39  -6.875  21.070 -10.234
  298    HA   THR  39           HA       THR  39  -7.950  22.149  -7.673
  299    HB   THR  39           HB       THR  39  -5.731  20.177  -8.344
  300    HG1  THR  39           HG1      THR  39  -7.613  19.250  -8.681
  301   HG21  THR  39          HG21      THR  39  -5.910  19.640  -5.841
  302   HG22  THR  39          HG22      THR  39  -5.053  21.127  -6.281
  303   HG23  THR  39          HG23      THR  39  -6.710  21.220  -5.675
  304    H    LEU  40           H        LEU  40  -4.992  22.341  -9.715
  305    HA   LEU  40           HA       LEU  40  -3.454  23.713  -7.712
  306    HB2  LEU  40           HB2      LEU  40  -3.122  23.458 -10.719
  307    HB3  LEU  40           HB3      LEU  40  -1.882  24.092  -9.642
  308    HG   LEU  40           HG       LEU  40  -2.990  21.267  -9.363
  309   HD11  LEU  40          HD11      LEU  40  -0.560  22.223 -10.959
  310   HD12  LEU  40          HD12      LEU  40  -1.005  20.528 -10.680
  311   HD13  LEU  40          HD13      LEU  40  -2.061  21.570 -11.645
  312   HD21  LEU  40          HD21      LEU  40  -0.855  20.748  -8.311
  313   HD22  LEU  40          HD22      LEU  40  -0.393  22.461  -8.385
  314   HD23  LEU  40          HD23      LEU  40  -1.794  21.927  -7.407
  315    H    GLU  41           H        GLU  41  -3.483  25.848  -7.196
  316    HA   GLU  41           HA       GLU  41  -5.415  27.532  -8.528
  317    HB2  GLU  41           HB2      GLU  41  -5.248  28.968  -6.684
  318    HB3  GLU  41           HB3      GLU  41  -5.252  27.327  -6.088
  319    HG2  GLU  41           HG2      GLU  41  -3.408  27.710  -4.892
  320    HG3  GLU  41           HG3      GLU  41  -2.490  28.035  -6.351
  321    H    PHE  42           H        PHE  42  -3.381  27.065 -10.364
  322    HA   PHE  42           HA       PHE  42  -1.276  28.941 -10.330
  323    HB2  PHE  42           HB2      PHE  42  -1.043  28.369 -12.766
  324    HB3  PHE  42           HB3      PHE  42  -1.008  27.030 -11.651
  325    HD1  PHE  42           HD2      PHE  42  -3.293  28.871 -14.018
  326    HD2  PHE  42           HD1      PHE  42  -2.386  25.173 -11.999
  327    HE1  PHE  42           HE2      PHE  42  -5.052  27.719 -15.333
  328    HE2  PHE  42           HE1      PHE  42  -4.158  24.028 -13.302
  329    HZ   PHE  42           HZ       PHE  42  -5.496  25.298 -14.970
  330    HA   PRO  43           HA       PRO  43  -0.059  30.147 -12.142
  331    HB2  PRO  43           HB2      PRO  43   0.943  32.692 -12.005
  332    HB3  PRO  43           HB3      PRO  43   0.238  31.981 -13.484
  333    HG2  PRO  43           HG2      PRO  43  -1.115  33.782 -11.453
  334    HG3  PRO  43           HG3      PRO  43  -1.151  33.904 -13.241
  335    HD2  PRO  43           HD2      PRO  43  -3.170  32.729 -11.818
  336    HD3  PRO  43           HD3      PRO  43  -2.677  32.113 -13.422
  337    H    PHE  44           H        PHE  44   1.582  29.893 -10.591
  338    HA   PHE  44           HA       PHE  44   1.333  31.195  -7.970
  339    HB2  PHE  44           HB2      PHE  44   1.306  29.196  -6.690
  340    HB3  PHE  44           HB3      PHE  44  -0.098  29.181  -7.733
  341    HD1  PHE  44           HD1      PHE  44   3.251  27.688  -7.134
  342    HD2  PHE  44           HD2      PHE  44  -0.473  27.287  -9.229
  343    HE1  PHE  44           HE1      PHE  44   3.911  25.415  -7.846
  344    HE2  PHE  44           HE2      PHE  44   0.183  25.006  -9.950
  345    HZ   PHE  44           HZ       PHE  44   2.363  24.054  -9.244
  346    H    MET  45           H        MET  45   3.385  30.837  -6.682
  347    HA   MET  45           HA       MET  45   5.656  30.785  -8.571
  348    HB2  MET  45           HB2      MET  45   5.343  32.599  -6.856
  349    HB3  MET  45           HB3      MET  45   5.499  31.383  -5.577
  350    HG2  MET  45           HG2      MET  45   7.796  30.854  -6.447
  351    HG3  MET  45           HG3      MET  45   7.616  32.164  -7.619
  352    HE1  MET  45           HE1      MET  45   9.908  33.158  -6.742
  353    HE2  MET  45           HE2      MET  45  10.285  33.372  -5.015
  354    HE3  MET  45           HE3      MET  45   9.980  31.743  -5.670
  355    H    GLY  46           H        GLY  46   7.378  29.197  -8.488
  356    HA2  GLY  46           HA2      GLY  46   7.455  27.422  -6.170
  357    HA3  GLY  46           HA3      GLY  46   7.111  26.616  -7.711
  358    H    LYS  47           H        LYS  47   9.295  25.934  -6.348
  359    HA   LYS  47           HA       LYS  47  11.568  27.170  -7.814
  360    HB2  LYS  47           HB2      LYS  47  11.690  26.648  -5.234
  361    HB3  LYS  47           HB3      LYS  47  11.728  24.959  -5.714
  362    HG2  LYS  47           HG2      LYS  47  14.003  25.576  -5.492
  363    HG3  LYS  47           HG3      LYS  47  13.706  25.564  -7.229
  364    HD2  LYS  47           HD2      LYS  47  14.984  27.509  -6.814
  365    HD3  LYS  47           HD3      LYS  47  13.355  28.108  -7.073
  366    HE2  LYS  47           HE2      LYS  47  13.017  28.610  -4.793
  367    HE3  LYS  47           HE3      LYS  47  14.319  27.527  -4.267
  368    HZ1  LYS  47           HZ1      LYS  47  15.928  28.974  -5.147
  369    HZ2  LYS  47           HZ2      LYS  47  14.806  29.988  -5.832
  370    HZ3  LYS  47           HZ3      LYS  47  14.952  29.888  -4.193
  371    H    TRP  48           H        TRP  48  12.225  26.148  -9.628
  372    HA   TRP  48           HA       TRP  48  11.200  23.440 -10.285
  373    HB2  TRP  48           HB2      TRP  48  11.069  25.207 -12.028
  374    HB3  TRP  48           HB3      TRP  48  12.801  25.450 -11.924
  375    HD1  TRP  48           HD1      TRP  48  12.146  21.822 -11.769
  376    HE1  TRP  48           HE1      TRP  48  12.470  20.683 -13.989
  377    HE3  TRP  48           HE3      TRP  48  12.276  25.981 -14.744
  378    HZ2  TRP  48           HZ2      TRP  48  12.739  21.469 -16.797
  379    HZ3  TRP  48           HZ3      TRP  48  12.521  25.751 -17.196
  380    HH2  TRP  48           HH2      TRP  48  12.750  23.502 -18.234
  381    H    LYS  49           H        LYS  49  12.403  22.020  -9.101
  382    HA   LYS  49           HA       LYS  49  15.267  22.456  -8.506
  383    HB2  LYS  49           HB2      LYS  49  13.116  20.506  -7.574
  384    HB3  LYS  49           HB3      LYS  49  14.804  20.381  -7.086
  385    HG2  LYS  49           HG2      LYS  49  14.745  22.498  -5.922
  386    HG3  LYS  49           HG3      LYS  49  13.190  22.927  -6.639
  387    HD2  LYS  49           HD2      LYS  49  12.748  22.278  -4.403
  388    HD3  LYS  49           HD3      LYS  49  12.111  21.022  -5.476
  389    HE2  LYS  49           HE2      LYS  49  14.245  19.698  -5.020
  390    HE3  LYS  49           HE3      LYS  49  14.663  20.932  -3.819
  391    HZ1  LYS  49           HZ1      LYS  49  12.362  19.081  -3.754
  392    HZ2  LYS  49           HZ2      LYS  49  13.574  19.197  -2.671
  393    HZ3  LYS  49           HZ3      LYS  49  12.436  20.383  -2.772
  394    H    LYS  50           H        LYS  50  15.600  22.315 -10.927
  395    HA   LYS  50           HA       LYS  50  14.718  19.972 -12.375
  396    HB2  LYS  50           HB2      LYS  50  15.206  22.072 -13.546
  397    HB3  LYS  50           HB3      LYS  50  16.870  22.043 -12.969
  398    HG2  LYS  50           HG2      LYS  50  16.883  21.363 -15.249
  399    HG3  LYS  50           HG3      LYS  50  17.296  19.979 -14.226
  400    HD2  LYS  50           HD2      LYS  50  15.144  18.953 -14.571
  401    HD3  LYS  50           HD3      LYS  50  14.527  20.403 -15.372
  402    HE2  LYS  50           HE2      LYS  50  15.074  18.657 -17.005
  403    HE3  LYS  50           HE3      LYS  50  16.049  20.108 -17.249
  404    HZ1  LYS  50           HZ1      LYS  50  17.338  18.035 -17.403
  405    HZ2  LYS  50           HZ2      LYS  50  17.914  18.986 -16.198
  406    HZ3  LYS  50           HZ3      LYS  50  17.025  17.691 -15.825
  407    H    LYS  51           H        LYS  51  15.559  17.906 -12.266
  408    HA   LYS  51           HA       LYS  51  18.190  17.476 -11.008
  409    HB2  LYS  51           HB2      LYS  51  16.172  15.962 -10.712
  410    HB3  LYS  51           HB3      LYS  51  16.358  15.475 -12.404
  411    HG2  LYS  51           HG2      LYS  51  18.641  14.617 -11.901
  412    HG3  LYS  51           HG3      LYS  51  18.510  15.234 -10.249
  413    HD2  LYS  51           HD2      LYS  51  18.109  12.868 -10.186
  414    HD3  LYS  51           HD3      LYS  51  16.590  13.696  -9.831
  415    HE2  LYS  51           HE2      LYS  51  15.849  13.344 -12.183
  416    HE3  LYS  51           HE3      LYS  51  17.386  12.551 -12.553
  417    HZ1  LYS  51           HZ1      LYS  51  15.379  11.555 -10.610
  418    HZ2  LYS  51           HZ2      LYS  51  15.645  10.945 -12.096
  419    HZ3  LYS  51           HZ3      LYS  51  16.798  10.819 -10.955
  420    H    SER  52           H        SER  52  20.072  17.480 -12.192
  421    HA   SER  52           HA       SER  52  20.075  16.930 -15.100
  422    HB2  SER  52           HB2      SER  52  20.914  19.526 -13.734
  423    HB3  SER  52           HB3      SER  52  21.497  19.060 -15.338
  424    HG   SER  52           HG       SER  52  19.676  20.405 -15.432
  425    H    ARG  53           H        ARG  53  22.529  17.219 -15.779
  426    HA   ARG  53           HA       ARG  53  24.715  16.838 -15.613
  427    HB2  ARG  53           HB2      ARG  53  24.204  18.074 -13.222
  428    HB3  ARG  53           HB3      ARG  53  24.763  16.539 -12.618
  429    HG2  ARG  53           HG2      ARG  53  26.548  18.176 -12.674
  430    HG3  ARG  53           HG3      ARG  53  26.923  16.860 -13.780
  431    HD2  ARG  53           HD2      ARG  53  27.498  19.110 -14.672
  432    HD3  ARG  53           HD3      ARG  53  26.373  18.231 -15.709
  433    HE   ARG  53           HE       ARG  53  24.860  19.893 -13.929
  434   HH11  ARG  53          HH21      ARG  53  27.022  20.201 -16.748
  435   HH12  ARG  53          HH22      ARG  53  26.298  21.665 -17.298
  436   HH21  ARG  53          HH11      ARG  53  23.944  21.816 -14.616
  437   HH22  ARG  53          HH12      ARG  53  24.499  22.609 -16.062
  438    H    LYS  54           H        LYS  54  26.286  15.064 -15.323
  439    HA   LYS  54           HA       LYS  54  25.097  12.486 -15.438
  440    HB2  LYS  54           HB2      LYS  54  27.335  11.593 -15.456
  441    HB3  LYS  54           HB3      LYS  54  27.247  13.016 -16.489
  442    HG2  LYS  54           HG2      LYS  54  28.327  14.372 -14.673
  443    HG3  LYS  54           HG3      LYS  54  28.445  12.904 -13.681
  444    HD2  LYS  54           HD2      LYS  54  29.803  11.821 -15.462
  445    HD3  LYS  54           HD3      LYS  54  29.764  13.313 -16.405
  446    HE2  LYS  54           HE2      LYS  54  30.921  13.039 -13.587
  447    HE3  LYS  54           HE3      LYS  54  31.868  12.935 -15.071
  448    HZ1  LYS  54           HZ1      LYS  54  31.222  15.219 -15.580
  449    HZ2  LYS  54           HZ2      LYS  54  30.383  15.336 -14.176
  450    HZ3  LYS  54           HZ3      LYS  54  31.997  15.134 -14.153
  451    H    THR  55           H        THR  55  26.220  14.368 -12.678
  452    HA   THR  55           HA       THR  55  26.179  12.200 -10.787
  453    HB   THR  55           HB       THR  55  26.388  14.374  -9.272
  454    HG1  THR  55           HG1      THR  55  26.027  16.051 -10.499
  455   HG21  THR  55          HG21      THR  55  28.782  14.523  -9.808
  456   HG22  THR  55          HG22      THR  55  28.254  12.833  -9.780
  457   HG23  THR  55          HG23      THR  55  28.521  13.652 -11.335
  458    H    SER  56           H        SER  56  23.569  13.603 -12.364
  459    HA   SER  56           HA       SER  56  21.412  13.933 -11.924
  460    HB2  SER  56           HB2      SER  56  21.785  11.873  -9.722
  461    HB3  SER  56           HB3      SER  56  20.278  12.296 -10.544
  462    HG   SER  56           HG       SER  56  21.279  10.400 -11.397
  463    H    THR  57           H        THR  57  23.032  15.868 -10.876
  464    HA   THR  57           HA       THR  57  22.512  16.522  -8.113
  465    HB   THR  57           HB       THR  57  23.603  18.169 -10.446
  466    HG1  THR  57           HG1      THR  57  24.977  16.484  -8.624
  467   HG21  THR  57          HG21      THR  57  23.225  19.585  -8.506
  468   HG22  THR  57          HG22      THR  57  24.048  18.426  -7.439
  469   HG23  THR  57          HG23      THR  57  24.958  19.306  -8.690
  470    H    ILE  58           H        ILE  58  20.886  17.868  -7.332
  471    HA   ILE  58           HA       ILE  58  18.800  18.857  -9.141
  472    HB   ILE  58           HB       ILE  58  19.310  19.185  -6.167
  473   HG12  ILE  58          HG12      ILE  58  18.650  16.894  -6.900
  474   HG13  ILE  58          HG13      ILE  58  17.495  17.654  -5.819
  475   HG21  ILE  58          HG21      ILE  58  16.952  20.083  -6.067
  476   HG22  ILE  58          HG22      ILE  58  18.117  21.166  -6.828
  477   HG23  ILE  58          HG23      ILE  58  17.002  20.235  -7.843
  478   HD11  ILE  58          HD11      ILE  58  16.408  16.381  -7.633
  479   HD12  ILE  58          HD12      ILE  58  15.964  18.091  -7.692
  480   HD13  ILE  58          HD13      ILE  58  17.152  17.435  -8.843
  481    H    GLU  59           H        GLU  59  18.798  20.738 -10.095
  482    HA   GLU  59           HA       GLU  59  20.682  22.911  -9.315
  483    HB2  GLU  59           HB2      GLU  59  19.972  21.869 -12.098
  484    HB3  GLU  59           HB3      GLU  59  20.776  23.415 -11.768
  485    HG2  GLU  59           HG2      GLU  59  22.632  22.199 -10.629
  486    HG3  GLU  59           HG3      GLU  59  21.845  20.660 -10.988
  487    H    GLU  60           H        GLU  60  19.221  24.145  -8.217
  488    HA   GLU  60           HA       GLU  60  16.447  24.184  -8.989
  489    HB2  GLU  60           HB2      GLU  60  16.071  25.609  -7.124
  490    HB3  GLU  60           HB3      GLU  60  17.008  24.195  -6.657
  491    HG2  GLU  60           HG2      GLU  60  19.039  25.469  -6.596
  492    HG3  GLU  60           HG3      GLU  60  18.250  26.876  -7.313
  493    H    LYS  61           H        LYS  61  15.194  25.859  -9.801
  494    HA   LYS  61           HA       LYS  61  16.475  28.455 -10.500
  495    HB2  LYS  61           HB2      LYS  61  14.768  26.667 -12.308
  496    HB3  LYS  61           HB3      LYS  61  15.071  28.379 -12.623
  497    HG2  LYS  61           HG2      LYS  61  17.487  27.965 -12.778
  498    HG3  LYS  61           HG3      LYS  61  17.247  26.243 -12.452
  499    HD2  LYS  61           HD2      LYS  61  16.075  27.712 -14.849
  500    HD3  LYS  61           HD3      LYS  61  17.589  26.792 -14.861
  501    HE2  LYS  61           HE2      LYS  61  16.332  24.746 -14.144
  502    HE3  LYS  61           HE3      LYS  61  14.823  25.660 -14.236
  503    HZ1  LYS  61           HZ1      LYS  61  15.290  26.012 -16.614
  504    HZ2  LYS  61           HZ2      LYS  61  16.635  25.086 -16.512
  505    HZ3  LYS  61           HZ3      LYS  61  15.160  24.427 -16.256
  506    H    THR  62           H        THR  62  14.822  30.156 -10.355
  507    HA   THR  62           HA       THR  62  12.481  29.284  -8.716
  508    HB   THR  62           HB       THR  62  13.674  32.066  -8.955
  509    HG1  THR  62           HG1      THR  62  15.254  30.845  -8.045
  510   HG21  THR  62          HG21      THR  62  12.525  32.396  -6.800
  511   HG22  THR  62          HG22      THR  62  11.370  31.934  -8.064
  512   HG23  THR  62          HG23      THR  62  11.894  30.732  -6.862
  513    H    VAL  63           H        VAL  63  10.436  29.462  -9.576
  514    HA   VAL  63           HA       VAL  63  10.164  30.919 -12.138
  515    HB   VAL  63           HB       VAL  63   9.160  28.975 -13.188
  516   HG11  VAL  63          HG11      VAL  63  11.638  29.280 -13.415
  517   HG12  VAL  63          HG12      VAL  63  11.874  28.117 -12.097
  518   HG13  VAL  63          HG13      VAL  63  11.091  27.613 -13.606
  519   HG21  VAL  63          HG21      VAL  63   8.288  27.773 -11.183
  520   HG22  VAL  63          HG22      VAL  63   9.237  26.725 -12.236
  521   HG23  VAL  63          HG23      VAL  63   9.950  27.338 -10.734
  522    H    GLU  64           H        GLU  64   8.016  31.163 -12.841
  523    HA   GLU  64           HA       GLU  64   5.920  30.989 -10.705
  524    HB2  GLU  64           HB2      GLU  64   6.353  33.277 -11.655
  525    HB3  GLU  64           HB3      GLU  64   5.895  32.669 -13.250
  526    HG2  GLU  64           HG2      GLU  64   3.641  32.088 -12.387
  527    HG3  GLU  64           HG3      GLU  64   4.124  32.563 -10.762
  528    H    VAL  65           H        VAL  65   4.662  29.219 -10.976
  529    HA   VAL  65           HA       VAL  65   4.692  27.640 -13.451
  530    HB   VAL  65           HB       VAL  65   3.108  27.330 -10.850
  531   HG11  VAL  65          HG11      VAL  65   3.469  25.520 -13.267
  532   HG12  VAL  65          HG12      VAL  65   2.793  24.967 -11.719
  533   HG13  VAL  65          HG13      VAL  65   1.949  26.202 -12.656
  534   HG21  VAL  65          HG21      VAL  65   5.679  25.982 -11.792
  535   HG22  VAL  65          HG22      VAL  65   5.488  27.044 -10.381
  536   HG23  VAL  65          HG23      VAL  65   4.718  25.458 -10.398
  537    H    LEU  66           H        LEU  66   3.426  28.284 -15.116
  538    HA   LEU  66           HA       LEU  66   1.317  30.285 -14.650
  539    HB2  LEU  66           HB2      LEU  66   2.835  29.207 -17.016
  540    HB3  LEU  66           HB3      LEU  66   1.217  29.833 -17.305
  541    HG   LEU  66           HG       LEU  66   1.762  31.993 -16.347
  542   HD11  LEU  66          HD11      LEU  66   4.113  32.584 -15.753
  543   HD12  LEU  66          HD12      LEU  66   3.409  31.417 -14.635
  544   HD13  LEU  66          HD13      LEU  66   4.552  30.864 -15.878
  545   HD21  LEU  66          HD21      LEU  66   3.328  32.764 -18.073
  546   HD22  LEU  66          HD22      LEU  66   3.872  31.097 -18.354
  547   HD23  LEU  66          HD23      LEU  66   2.206  31.572 -18.749
  548    H    GLY  67           H        GLY  67   1.495  26.791 -15.394
  549    HA2  GLY  67           HA2      GLY  67  -0.974  26.132 -14.473
  550    HA3  GLY  67           HA3      GLY  67  -1.257  26.545 -16.178
  551    H    MET  68           H        MET  68  -1.800  24.096 -15.754
  552    HA   MET  68           HA       MET  68   0.366  22.175 -15.999
  553    HB2  MET  68           HB2      MET  68  -2.567  22.034 -16.831
  554    HB3  MET  68           HB3      MET  68  -1.436  20.684 -16.917
  555    HG2  MET  68           HG2      MET  68  -2.200  22.138 -14.359
  556    HG3  MET  68           HG3      MET  68  -2.917  20.632 -14.911
  557    HE1  MET  68           HE1      MET  68  -1.896  18.302 -14.732
  558    HE2  MET  68           HE2      MET  68  -0.628  18.752 -15.902
  559    HE3  MET  68           HE3      MET  68  -0.188  17.967 -14.373
  560    H    ALA  69           H        ALA  69   1.098  21.157 -17.881
  561    HA   ALA  69           HA       ALA  69   1.332  22.772 -20.278
  562    HB1  ALA  69           HB1      ALA  69   2.580  20.827 -21.110
  563    HB2  ALA  69           HB2      ALA  69   3.063  21.152 -19.442
  564    HB3  ALA  69           HB3      ALA  69   1.928  19.825 -19.809
  565    HA   PRO  70           HA       PRO  70  -2.166  21.290 -22.688
  566    HB2  PRO  70           HB2      PRO  70  -0.150  20.082 -24.597
  567    HB3  PRO  70           HB3      PRO  70  -1.621  21.037 -24.973
  568    HG2  PRO  70           HG2      PRO  70   0.808  22.225 -25.042
  569    HG3  PRO  70           HG3      PRO  70  -0.566  23.068 -24.253
  570    HD2  PRO  70           HD2      PRO  70   1.658  21.480 -22.966
  571    HD3  PRO  70           HD3      PRO  70   0.978  23.063 -22.474
  572    H    ASP  71           H        ASP  71  -3.369  19.392 -23.134
  573    HA   ASP  71           HA       ASP  71  -2.880  17.102 -21.585
  574    HB2  ASP  71           HB2      ASP  71  -4.812  16.212 -22.475
  575    HB3  ASP  71           HB3      ASP  71  -5.095  17.941 -22.597
  576    H    ASP  72           H        ASP  72  -1.824  17.894 -24.854
  577    HA   ASP  72           HA       ASP  72  -1.201  15.311 -25.819
  578    HB2  ASP  72           HB2      ASP  72  -1.244  17.309 -27.237
  579    HB3  ASP  72           HB3      ASP  72   0.131  17.990 -26.362
  580    H    GLU  73           H        GLU  73   0.499  17.379 -23.536
  581    HA   GLU  73           HA       GLU  73   2.852  15.546 -23.482
  582    HB2  GLU  73           HB2      GLU  73   2.358  18.255 -22.167
  583    HB3  GLU  73           HB3      GLU  73   3.791  17.244 -21.917
  584    HG2  GLU  73           HG2      GLU  73   4.204  17.287 -24.402
  585    HG3  GLU  73           HG3      GLU  73   2.870  18.428 -24.572
  586    H    CYS  74           H        CYS  74   0.114  16.782 -21.505
  587    HA   CYS  74           HA       CYS  74   0.910  15.302 -19.208
  588    HB2  CYS  74           HB2      CYS  74  -1.790  16.542 -19.807
  589    HB3  CYS  74           HB3      CYS  74  -1.225  15.933 -18.241
  590    HG   CYS  74           HG       CYS  74  -0.162  18.433 -20.084
  591    H    LEU  75           H        LEU  75   0.001  13.954 -21.942
  592    HA   LEU  75           HA       LEU  75  -1.627  11.714 -20.928
  593    HB2  LEU  75           HB2      LEU  75  -0.350  12.519 -23.555
  594    HB3  LEU  75           HB3      LEU  75  -0.718  10.822 -23.305
  595    HG   LEU  75           HG       LEU  75  -2.849  12.950 -22.926
  596   HD11  LEU  75          HD11      LEU  75  -2.170  11.401 -25.459
  597   HD12  LEU  75          HD12      LEU  75  -3.586  12.454 -25.219
  598   HD13  LEU  75          HD13      LEU  75  -1.957  13.147 -25.198
  599   HD21  LEU  75          HD21      LEU  75  -3.303  10.699 -21.943
  600   HD22  LEU  75          HD22      LEU  75  -4.382  11.069 -23.291
  601   HD23  LEU  75          HD23      LEU  75  -3.009   9.968 -23.532
  602    H    LYS  76           H        LYS  76   1.728  12.658 -21.055
  603    HA   LYS  76           HA       LYS  76   2.629   9.814 -20.931
  604    HB2  LYS  76           HB2      LYS  76   4.094  12.396 -21.609
  605    HB3  LYS  76           HB3      LYS  76   4.836  10.792 -21.540
  606    HG2  LYS  76           HG2      LYS  76   3.327   9.980 -23.318
  607    HG3  LYS  76           HG3      LYS  76   2.557  11.566 -23.431
  608    HD2  LYS  76           HD2      LYS  76   5.514  11.047 -23.961
  609    HD3  LYS  76           HD3      LYS  76   4.256  11.107 -25.206
  610    HE2  LYS  76           HE2      LYS  76   3.701  13.438 -24.557
  611    HE3  LYS  76           HE3      LYS  76   4.975  13.404 -23.328
  612    HZ1  LYS  76           HZ1      LYS  76   5.745  14.449 -25.365
  613    HZ2  LYS  76           HZ2      LYS  76   6.593  13.082 -25.114
  614    HZ3  LYS  76           HZ3      LYS  76   5.416  13.121 -26.247
  615    H    ASP  77           H        ASP  77   2.834  12.965 -19.224
  616    HA   ASP  77           HA       ASP  77   3.315  11.687 -16.688
  617    HB2  ASP  77           HB2      ASP  77   5.654  11.751 -17.858
  618    HB3  ASP  77           HB3      ASP  77   5.547  13.500 -17.684
  619    H    MET  78           H        MET  78   3.511  13.675 -14.959
  620    HA   MET  78           HA       MET  78   1.597  15.711 -15.912
  621    HB2  MET  78           HB2      MET  78   2.924  15.285 -13.209
  622    HB3  MET  78           HB3      MET  78   1.822  16.611 -13.583
  623    HG2  MET  78           HG2      MET  78   1.139  13.657 -13.668
  624    HG3  MET  78           HG3      MET  78   0.660  14.818 -12.439
  625    HE1  MET  78           HE1      MET  78  -1.480  13.794 -16.306
  626    HE2  MET  78           HE2      MET  78   0.288  13.831 -16.289
  627    HE3  MET  78           HE3      MET  78  -0.593  12.764 -15.170
  628    H    TYR  79           H        TYR  79   2.176  17.597 -16.780
  629    HA   TYR  79           HA       TYR  79   4.901  18.683 -16.281
  630    HB2  TYR  79           HB2      TYR  79   3.414  18.436 -18.923
  631    HB3  TYR  79           HB3      TYR  79   4.835  19.435 -18.688
  632    HD1  TYR  79           HD1      TYR  79   7.056  18.324 -18.076
  633    HD2  TYR  79           HD2      TYR  79   3.623  16.143 -19.501
  634    HE1  TYR  79           HE1      TYR  79   8.535  16.468 -18.784
  635    HE2  TYR  79           HE2      TYR  79   5.081  14.306 -20.249
  636    HH   TYR  79           HH       TYR  79   7.280  13.502 -20.384
  637    H    VAL  80           H        VAL  80   5.046  20.946 -16.520
  638    HA   VAL  80           HA       VAL  80   2.520  22.504 -16.449
  639    HB   VAL  80           HB       VAL  80   3.702  23.756 -14.514
  640   HG11  VAL  80          HG11      VAL  80   2.412  21.053 -13.990
  641   HG12  VAL  80          HG12      VAL  80   2.580  22.388 -12.820
  642   HG13  VAL  80          HG13      VAL  80   1.579  22.604 -14.248
  643   HG21  VAL  80          HG21      VAL  80   5.850  22.486 -14.545
  644   HG22  VAL  80          HG22      VAL  80   5.045  22.459 -12.969
  645   HG23  VAL  80          HG23      VAL  80   4.980  21.029 -14.020
  646    H    GLU  81           H        GLU  81   2.743  24.584 -17.153
  647    HA   GLU  81           HA       GLU  81   5.182  25.263 -18.693
  648    HB2  GLU  81           HB2      GLU  81   2.498  26.681 -18.332
  649    HB3  GLU  81           HB3      GLU  81   3.855  27.298 -19.284
  650    HG2  GLU  81           HG2      GLU  81   3.761  25.213 -20.691
  651    HG3  GLU  81           HG3      GLU  81   2.304  24.735 -19.817
  652    H    VAL  82           H        VAL  82   6.704  26.633 -17.793
  653    HA   VAL  82           HA       VAL  82   5.999  28.101 -15.312
  654    HB   VAL  82           HB       VAL  82   7.904  27.315 -14.143
  655   HG11  VAL  82          HG11      VAL  82   5.864  25.839 -14.099
  656   HG12  VAL  82          HG12      VAL  82   6.650  24.802 -15.300
  657   HG13  VAL  82          HG13      VAL  82   7.380  25.016 -13.703
  658   HG21  VAL  82          HG21      VAL  82   8.673  25.638 -16.569
  659   HG22  VAL  82          HG22      VAL  82   9.575  27.018 -15.899
  660   HG23  VAL  82          HG23      VAL  82   9.426  25.531 -14.963
  661    H    ALA  83           H        ALA  83   7.040  30.076 -15.071
  662    HA   ALA  83           HA       ALA  83   8.652  30.977 -17.422
  663    HB1  ALA  83           HB1      ALA  83   6.459  32.090 -17.251
  664    HB2  ALA  83           HB2      ALA  83   6.814  32.554 -15.568
  665    HB3  ALA  83           HB3      ALA  83   7.778  33.224 -16.901
  666    H    ASP  84           H        ASP  84  10.655  31.669 -17.005
  667    HA   ASP  84           HA       ASP  84  11.749  31.199 -14.341
  668    HB2  ASP  84           HB2      ASP  84  12.989  30.292 -16.103
  669    HB3  ASP  84           HB3      ASP  84  12.837  31.729 -17.103
  670    H    ILE  85           H        ILE  85  10.839  32.748 -13.116
  671    HA   ILE  85           HA       ILE  85  10.615  35.469 -13.409
  672    HB   ILE  85           HB       ILE  85  11.435  34.001 -10.885
  673   HG12  ILE  85          HG12      ILE  85   8.606  34.650 -11.838
  674   HG13  ILE  85          HG13      ILE  85   9.355  33.064 -11.954
  675   HG21  ILE  85          HG21      ILE  85  11.643  36.496 -10.711
  676   HG22  ILE  85          HG22      ILE  85   9.933  36.640 -11.182
  677   HG23  ILE  85          HG23      ILE  85  10.404  35.861  -9.655
  678   HD11  ILE  85          HD11      ILE  85   9.633  33.016  -9.463
  679   HD12  ILE  85          HD12      ILE  85   8.693  34.528  -9.369
  680   HD13  ILE  85          HD13      ILE  85   7.946  33.070  -9.999
  681    H    GLY  86           H        GLY  86  11.975  37.163 -13.596
  682    HA2  GLY  86           HA2      GLY  86  13.784  38.504 -13.359
  683    HA3  GLY  86           HA3      GLY  86  14.393  37.390 -12.131
  684    H    GLY  87           H        GLY  87  14.053  35.591 -14.988
  685    HA2  GLY  87           HA2      GLY  87  16.822  36.252 -15.959
  686    HA3  GLY  87           HA3      GLY  87  16.149  34.619 -15.917
  687    H    LYS  88           H        LYS  88  14.452  34.049 -17.387
  688    HA   LYS  88           HA       LYS  88  14.221  35.550 -19.866
  689    HB2  LYS  88           HB2      LYS  88  12.535  33.361 -18.579
  690    HB3  LYS  88           HB3      LYS  88  12.043  34.155 -20.066
  691    HG2  LYS  88           HG2      LYS  88  14.109  33.491 -21.194
  692    HG3  LYS  88           HG3      LYS  88  14.692  32.692 -19.717
  693    HD2  LYS  88           HD2      LYS  88  12.845  31.130 -19.751
  694    HD3  LYS  88           HD3      LYS  88  12.070  31.940 -21.102
  695    HE2  LYS  88           HE2      LYS  88  14.813  30.614 -21.242
  696    HE3  LYS  88           HE3      LYS  88  13.297  29.833 -21.708
  697    HZ1  LYS  88           HZ1      LYS  88  14.372  30.730 -23.636
  698    HZ2  LYS  88           HZ2      LYS  88  12.985  31.567 -23.384
  699    HZ3  LYS  88           HZ3      LYS  88  14.441  32.233 -23.007
  700    H    ASP  89           H        ASP  89  12.195  35.229 -16.984
  701    HA   ASP  89           HA       ASP  89  10.590  36.309 -16.007
  702    HB2  ASP  89           HB2      ASP  89  12.505  37.953 -15.918
  703    HB3  ASP  89           HB3      ASP  89  11.689  38.864 -17.190
  704    H    ASP  90           H        ASP  90  10.561  36.745 -19.436
  705    HA   ASP  90           HA       ASP  90   7.627  37.219 -19.444
  706    HB2  ASP  90           HB2      ASP  90   8.935  39.354 -19.667
  707    HB3  ASP  90           HB3      ASP  90   9.729  38.679 -21.090
  708    H    ASP  91           H        ASP  91   9.545  34.873 -19.968
  709    HA   ASP  91           HA       ASP  91   8.201  33.936 -22.379
  710    HB2  ASP  91           HB2      ASP  91  10.306  34.740 -23.323
  711    HB3  ASP  91           HB3      ASP  91  11.229  33.837 -22.130
  712    H    VAL  92           H        VAL  92   8.473  31.449 -22.446
  713    HA   VAL  92           HA       VAL  92   8.409  30.475 -19.627
  714    HB   VAL  92           HB       VAL  92   6.244  31.279 -20.627
  715   HG11  VAL  92          HG11      VAL  92   5.028  29.917 -22.214
  716   HG12  VAL  92          HG12      VAL  92   6.548  30.446 -22.944
  717   HG13  VAL  92          HG13      VAL  92   6.381  28.779 -22.351
  718   HG21  VAL  92          HG21      VAL  92   6.184  29.821 -18.716
  719   HG22  VAL  92          HG22      VAL  92   4.852  29.470 -19.821
  720   HG23  VAL  92          HG23      VAL  92   6.248  28.385 -19.768
  721    H    TYR  93           H        TYR  93   8.676  28.340 -19.275
  722    HA   TYR  93           HA       TYR  93   9.865  26.554 -21.350
  723    HB2  TYR  93           HB2      TYR  93  10.312  26.787 -18.333
  724    HB3  TYR  93           HB3      TYR  93  10.909  25.461 -19.292
  725    HD1  TYR  93           HD2      TYR  93  12.533  25.964 -21.248
  726    HD2  TYR  93           HD1      TYR  93  11.767  28.608 -17.922
  727    HE1  TYR  93           HE2      TYR  93  14.811  26.896 -21.477
  728    HE2  TYR  93           HE1      TYR  93  14.055  29.542 -18.141
  729    HH   TYR  93           HH       TYR  93  16.398  28.367 -20.598
  730    H    THR  94           H        THR  94   9.588  24.201 -20.455
  731    HA   THR  94           HA       THR  94   7.043  23.824 -18.961
  732    HB   THR  94           HB       THR  94   7.807  21.957 -21.216
  733    HG1  THR  94           HG1      THR  94   7.430  23.991 -22.132
  734   HG21  THR  94          HG21      THR  94   5.156  22.555 -19.819
  735   HG22  THR  94          HG22      THR  94   5.431  21.331 -21.080
  736   HG23  THR  94          HG23      THR  94   6.201  21.153 -19.496
  737    H    ALA  95           H        ALA  95   7.222  22.370 -17.351
  738    HA   ALA  95           HA       ALA  95   9.815  20.935 -16.959
  739    HB1  ALA  95           HB1      ALA  95   9.667  21.668 -14.584
  740    HB2  ALA  95           HB2      ALA  95   9.784  23.064 -15.680
  741    HB3  ALA  95           HB3      ALA  95   8.222  22.621 -14.961
  742    H    LYS  96           H        LYS  96   9.594  19.024 -15.631
  743    HA   LYS  96           HA       LYS  96   6.925  17.787 -15.663
  744    HB2  LYS  96           HB2      LYS  96   7.981  15.858 -14.681
  745    HB3  LYS  96           HB3      LYS  96   8.773  16.367 -16.167
  746    HG2  LYS  96           HG2      LYS  96  10.588  17.457 -14.742
  747    HG3  LYS  96           HG3      LYS  96   9.780  16.782 -13.320
  748    HD2  LYS  96           HD2      LYS  96  11.533  15.282 -13.858
  749    HD3  LYS  96           HD3      LYS  96  10.021  14.494 -14.353
  750    HE2  LYS  96           HE2      LYS  96  10.437  15.198 -16.707
  751    HE3  LYS  96           HE3      LYS  96  11.919  16.017 -16.204
  752    HZ1  LYS  96           HZ1      LYS  96  12.376  13.830 -17.120
  753    HZ2  LYS  96           HZ2      LYS  96  12.811  13.850 -15.552
  754    HZ3  LYS  96           HZ3      LYS  96  11.434  13.096 -16.014
  755    H    LEU  97           H        LEU  97   5.592  17.709 -13.933
  756    HA   LEU  97           HA       LEU  97   5.871  19.560 -11.802
  757    HB2  LEU  97           HB2      LEU  97   3.732  18.531 -12.715
  758    HB3  LEU  97           HB3      LEU  97   4.153  17.044 -11.864
  759    HG   LEU  97           HG       LEU  97   4.046  18.276  -9.682
  760   HD11  LEU  97          HD11      LEU  97   4.590  20.557 -10.302
  761   HD12  LEU  97          HD12      LEU  97   3.264  20.613 -11.485
  762   HD13  LEU  97          HD13      LEU  97   2.918  20.576  -9.755
  763   HD21  LEU  97          HD21      LEU  97   1.609  18.536  -9.648
  764   HD22  LEU  97          HD22      LEU  97   1.573  18.605 -11.424
  765   HD23  LEU  97          HD23      LEU  97   2.065  17.111 -10.593
  766    H    SER  98           H        SER  98   7.047  16.283 -12.208
  767    HA   SER  98           HA       SER  98   7.525  15.491  -9.556
  768    HB2  SER  98           HB2      SER  98   9.304  14.901 -11.939
  769    HB3  SER  98           HB3      SER  98   8.913  13.844 -10.575
  770    HG   SER  98           HG       SER  98   7.728  13.384 -12.551
  771    H    ASP  99           H        ASP  99   9.079  18.000 -11.391
  772    HA   ASP  99           HA       ASP  99  11.438  18.075  -9.557
  773    HB2  ASP  99           HB2      ASP  99  11.115  18.730 -12.499
  774    HB3  ASP  99           HB3      ASP  99  12.342  19.537 -11.549
  775    H    ILE 100           H        ILE 100   8.513  19.295  -9.415
  776    HA   ILE 100           HA       ILE 100   9.401  22.113  -9.015
  777    HB   ILE 100           HB       ILE 100   6.912  20.937 -10.170
  778   HG12  ILE 100          HG12      ILE 100   8.926  22.045 -11.356
  779   HG13  ILE 100          HG13      ILE 100   7.284  22.431 -11.888
  780   HG21  ILE 100          HG21      ILE 100   5.627  23.030  -9.844
  781   HG22  ILE 100          HG22      ILE 100   5.867  22.126  -8.349
  782   HG23  ILE 100          HG23      ILE 100   6.833  23.584  -8.662
  783   HD11  ILE 100          HD11      ILE 100   8.827  24.359 -11.835
  784   HD12  ILE 100          HD12      ILE 100   7.387  24.595 -10.834
  785   HD13  ILE 100          HD13      ILE 100   8.943  24.203 -10.069
  786    H    GLU 101           H        GLU 101   8.994  23.054  -7.211
  787    HA   GLU 101           HA       GLU 101   7.438  21.696  -5.056
  788    HB2  GLU 101           HB2      GLU 101   9.866  21.373  -4.679
  789    HB3  GLU 101           HB3      GLU 101  10.128  23.119  -4.775
  790    HG2  GLU 101           HG2      GLU 101   8.603  23.400  -2.791
  791    HG3  GLU 101           HG3      GLU 101   8.458  21.643  -2.691
  792    H    ALA 102           H        ALA 102   5.671  23.057  -4.769
  793    HA   ALA 102           HA       ALA 102   5.703  25.762  -5.791
  794    HB1  ALA 102           HB1      ALA 102   3.474  25.933  -4.771
  795    HB2  ALA 102           HB2      ALA 102   3.622  24.488  -5.753
  796    HB3  ALA 102           HB3      ALA 102   3.699  24.355  -3.977
  797    H    ILE 103           H        ILE 103   5.517  27.684  -4.650
  798    HA   ILE 103           HA       ILE 103   6.524  27.704  -1.839
  799    HB   ILE 103           HB       ILE 103   7.026  29.615  -4.148
  800   HG12  ILE 103          HG12      ILE 103   9.074  27.951  -2.610
  801   HG13  ILE 103          HG13      ILE 103   8.368  27.417  -4.125
  802   HG21  ILE 103          HG21      ILE 103   8.469  30.879  -2.593
  803   HG22  ILE 103          HG22      ILE 103   6.820  30.834  -1.989
  804   HG23  ILE 103          HG23      ILE 103   8.044  29.763  -1.275
  805   HD11  ILE 103          HD11      ILE 103   9.233  29.449  -5.269
  806   HD12  ILE 103          HD12      ILE 103  10.079  29.903  -3.767
  807   HD13  ILE 103          HD13      ILE 103  10.495  28.406  -4.603
  808    H    ASP 104           H        ASP 104   5.262  28.696  -0.437
  809    HA   ASP 104           HA       ASP 104   3.475  29.635   0.527
  810    HB2  ASP 104           HB2      ASP 104   5.061  31.462   0.072
  811    HB3  ASP 104           HB3      ASP 104   4.193  31.848  -1.414
  812    H    VAL 105           H        VAL 105   2.530  27.828  -1.390
  813    HA   VAL 105           HA       VAL 105   0.351  29.218  -2.818
  814    HB   VAL 105           HB       VAL 105   2.004  27.587  -3.887
  815   HG11  VAL 105          HG11      VAL 105   0.232  25.493  -2.621
  816   HG12  VAL 105          HG12      VAL 105   1.371  25.216  -3.928
  817   HG13  VAL 105          HG13      VAL 105   1.962  25.727  -2.335
  818   HG21  VAL 105          HG21      VAL 105  -0.900  27.088  -4.455
  819   HG22  VAL 105          HG22      VAL 105  -0.010  28.545  -4.920
  820   HG23  VAL 105          HG23      VAL 105   0.512  26.981  -5.538
  821    H    ASP 106           H        ASP 106  -1.794  27.804  -2.930
  822    HA   ASP 106           HA       ASP 106  -2.882  27.757  -0.261
  823    HB2  ASP 106           HB2      ASP 106  -4.190  28.227  -2.409
  824    HB3  ASP 106           HB3      ASP 106  -4.078  26.475  -2.714
  825    H    ASP 107           H        ASP 107  -4.033  25.861   0.519
  826    HA   ASP 107           HA       ASP 107  -2.141  23.743   1.115
  827    HB2  ASP 107           HB2      ASP 107  -3.744  24.515   2.790
  828    HB3  ASP 107           HB3      ASP 107  -5.099  24.080   1.744
  829    H    ASP 108           H        ASP 108  -5.066  24.036  -0.982
  830    HA   ASP 108           HA       ASP 108  -5.148  21.203  -1.494
  831    HB2  ASP 108           HB2      ASP 108  -7.022  22.991  -1.609
  832    HB3  ASP 108           HB3      ASP 108  -6.400  23.359  -3.219
  833    H    THR 109           H        THR 109  -3.513  23.945  -3.023
  834    HA   THR 109           HA       THR 109  -2.722  22.540  -5.471
  835    HB   THR 109           HB       THR 109  -1.565  25.044  -4.114
  836    HG1  THR 109           HG1      THR 109  -3.842  25.082  -4.782
  837   HG21  THR 109          HG21      THR 109  -1.290  23.999  -6.951
  838   HG22  THR 109          HG22      THR 109  -0.895  25.619  -6.464
  839   HG23  THR 109          HG23      THR 109   0.021  24.262  -5.776
  840    H    GLN 110           H        GLN 110  -1.247  23.279  -2.239
  841    HA   GLN 110           HA       GLN 110   1.212  22.013  -2.796
  842    HB2  GLN 110           HB2      GLN 110   0.420  23.582  -0.823
  843    HB3  GLN 110           HB3      GLN 110   0.032  22.072  -0.003
  844    HG2  GLN 110           HG2      GLN 110   2.743  22.920  -1.133
  845    HG3  GLN 110           HG3      GLN 110   2.284  22.949   0.562
  846   HE21  GLN 110          HE22      GLN 110   3.837  21.077  -1.824
  847   HE22  GLN 110          HE21      GLN 110   3.765  19.527  -1.029
  848    H    GLU 111           H        GLU 111  -1.811  20.678  -1.291
  849    HA   GLU 111           HA       GLU 111  -0.797  18.090  -0.815
  850    HB2  GLU 111           HB2      GLU 111  -3.588  19.174  -1.335
  851    HB3  GLU 111           HB3      GLU 111  -3.321  17.455  -1.066
  852    HG2  GLU 111           HG2      GLU 111  -2.424  19.608   0.882
  853    HG3  GLU 111           HG3      GLU 111  -3.969  18.765   0.980
  854    H    ALA 112           H        ALA 112  -2.323  19.395  -3.803
  855    HA   ALA 112           HA       ALA 112  -2.443  16.888  -5.159
  856    HB1  ALA 112           HB1      ALA 112  -3.663  18.869  -5.907
  857    HB2  ALA 112           HB2      ALA 112  -2.140  19.722  -6.244
  858    HB3  ALA 112           HB3      ALA 112  -2.592  18.295  -7.202
  859    H    ILE 113           H        ILE 113   0.128  19.384  -5.009
  860    HA   ILE 113           HA       ILE 113   1.922  18.075  -6.840
  861    HB   ILE 113           HB       ILE 113   2.331  20.118  -4.633
  862   HG12  ILE 113          HG12      ILE 113   2.367  20.594  -7.637
  863   HG13  ILE 113          HG13      ILE 113   0.863  20.645  -6.727
  864   HG21  ILE 113          HG21      ILE 113   4.526  20.639  -5.727
  865   HG22  ILE 113          HG22      ILE 113   4.477  19.034  -5.015
  866   HG23  ILE 113          HG23      ILE 113   4.308  19.223  -6.776
  867   HD11  ILE 113          HD11      ILE 113   3.266  22.402  -6.265
  868   HD12  ILE 113          HD12      ILE 113   1.668  22.880  -6.880
  869   HD13  ILE 113          HD13      ILE 113   1.839  22.333  -5.195
  870    H    ALA 114           H        ALA 114   1.764  18.207  -3.256
  871    HA   ALA 114           HA       ALA 114   3.931  16.554  -2.661
  872    HB1  ALA 114           HB1      ALA 114   1.283  16.767  -1.153
  873    HB2  ALA 114           HB2      ALA 114   2.823  16.170  -0.505
  874    HB3  ALA 114           HB3      ALA 114   2.664  17.868  -0.972
  875    H    ASP 115           H        ASP 115   0.489  15.626  -3.239
  876    HA   ASP 115           HA       ASP 115   0.911  12.819  -2.939
  877    HB2  ASP 115           HB2      ASP 115  -1.288  13.896  -2.825
  878    HB3  ASP 115           HB3      ASP 115  -1.192  14.276  -4.549
  879    H    TRP 116           H        TRP 116   1.423  14.935  -5.766
  880    HA   TRP 116           HA       TRP 116   1.759  12.714  -7.614
  881    HB2  TRP 116           HB2      TRP 116   1.259  14.927  -8.477
  882    HB3  TRP 116           HB3      TRP 116   2.723  15.592  -7.758
  883    HD1  TRP 116           HD1      TRP 116   4.833  15.564  -9.185
  884    HE1  TRP 116           HE1      TRP 116   5.662  14.371 -11.297
  885    HE3  TRP 116           HE3      TRP 116   0.788  12.538 -10.053
  886    HZ2  TRP 116           HZ2      TRP 116   4.648  12.463 -13.179
  887    HZ3  TRP 116           HZ3      TRP 116   0.747  11.040 -12.019
  888    HH2  TRP 116           HH2      TRP 116   2.676  10.984 -13.596
  889    H    LEU 117           H        LEU 117   3.932  14.593  -5.460
  890    HA   LEU 117           HA       LEU 117   6.338  13.245  -6.319
  891    HB2  LEU 117           HB2      LEU 117   5.707  14.745  -3.746
  892    HB3  LEU 117           HB3      LEU 117   7.305  14.180  -4.212
  893    HG   LEU 117           HG       LEU 117   5.665  16.194  -5.818
  894   HD11  LEU 117          HD11      LEU 117   8.019  16.651  -3.944
  895   HD12  LEU 117          HD12      LEU 117   7.220  17.880  -4.954
  896   HD13  LEU 117          HD13      LEU 117   6.327  17.106  -3.636
  897   HD21  LEU 117          HD21      LEU 117   7.791  16.650  -6.989
  898   HD22  LEU 117          HD22      LEU 117   8.563  15.309  -6.114
  899   HD23  LEU 117          HD23      LEU 117   7.238  14.998  -7.258
  900    H    TYR 118           H        TYR 118   3.929  12.587  -3.727
  901    HA   TYR 118           HA       TYR 118   5.361  10.324  -2.682
  902    HB2  TYR 118           HB2      TYR 118   2.394  10.887  -2.687
  903    HB3  TYR 118           HB3      TYR 118   3.214   9.694  -1.672
  904    HD1  TYR 118           HD1      TYR 118   5.599  11.466  -0.772
  905    HD2  TYR 118           HD2      TYR 118   1.351  12.146  -1.031
  906    HE1  TYR 118           HE1      TYR 118   5.782  13.224   0.941
  907    HE2  TYR 118           HE2      TYR 118   1.533  13.999   0.584
  908    HH   TYR 118           HH       TYR 118   4.659  14.872   2.160
  909    H    TRP 119           H        TRP 119   2.842  10.618  -5.269
  910    HA   TRP 119           HA       TRP 119   2.636   7.891  -5.985
  911    HB2  TRP 119           HB2      TRP 119   1.077   9.259  -6.891
  912    HB3  TRP 119           HB3      TRP 119   2.221  10.504  -7.338
  913    HD1  TRP 119           HD1      TRP 119   3.810   9.984  -9.495
  914    HE1  TRP 119           HE1      TRP 119   3.185   8.917 -11.713
  915    HE3  TRP 119           HE3      TRP 119  -0.411   7.446  -8.031
  916    HZ2  TRP 119           HZ2      TRP 119   0.942   7.497 -12.818
  917    HZ3  TRP 119           HZ3      TRP 119  -1.859   6.391  -9.729
  918    HH2  TRP 119           HH2      TRP 119  -1.216   6.428 -12.140
  919    H    LEU 120           H        LEU 120   5.087  10.332  -6.885
  920    HA   LEU 120           HA       LEU 120   6.585   8.790  -8.679
  921    HB2  LEU 120           HB2      LEU 120   6.835  11.310  -7.531
  922    HB3  LEU 120           HB3      LEU 120   8.134  10.445  -6.734
  923    HG   LEU 120           HG       LEU 120   8.696   9.659  -9.238
  924   HD11  LEU 120          HD11      LEU 120   8.149  11.393 -10.880
  925   HD12  LEU 120          HD12      LEU 120   6.634  10.840 -10.144
  926   HD13  LEU 120          HD13      LEU 120   7.336  12.373  -9.641
  927   HD21  LEU 120          HD21      LEU 120  10.209  10.911  -7.772
  928   HD22  LEU 120          HD22      LEU 120  10.237  11.585  -9.413
  929   HD23  LEU 120          HD23      LEU 120   9.343  12.426  -8.124
  930    H    ALA 121           H        ALA 121   6.877   9.020  -5.093
  931    HA   ALA 121           HA       ALA 121   8.925   6.996  -4.940
  932    HB1  ALA 121           HB1      ALA 121   7.167   8.271  -2.798
  933    HB2  ALA 121           HB2      ALA 121   8.578   7.238  -2.486
  934    HB3  ALA 121           HB3      ALA 121   8.788   8.804  -3.294
  935    H    ARG 122           H        ARG 122   5.429   6.911  -4.993
  936    HA   ARG 122           HA       ARG 122   5.172   4.172  -3.991
  937    HB2  ARG 122           HB2      ARG 122   3.381   6.344  -4.922
  938    HB3  ARG 122           HB3      ARG 122   2.770   4.727  -5.157
  939    HG2  ARG 122           HG2      ARG 122   2.300   4.418  -2.990
  940    HG3  ARG 122           HG3      ARG 122   3.820   5.087  -2.433
  941    HD2  ARG 122           HD2      ARG 122   1.776   6.315  -1.634
  942    HD3  ARG 122           HD3      ARG 122   2.970   7.332  -2.457
  943    HE   ARG 122           HE       ARG 122   0.990   6.361  -4.304
  944   HH11  ARG 122          HH11      ARG 122   0.962   8.858  -1.623
  945   HH12  ARG 122          HH12      ARG 122   0.135   9.949  -2.726
  946   HH21  ARG 122          HH21      ARG 122  -0.265   7.793  -5.325
  947   HH22  ARG 122          HH22      ARG 122  -0.545   9.430  -4.657
  948    H    GLY 123           H        GLY 123   6.514   5.368  -6.749
  949    HA2  GLY 123           HA2      GLY 123   7.251   4.278  -8.615
  950    HA3  GLY 123           HA3      GLY 123   6.675   2.771  -7.885
  951    H    TYR 124           H        TYR 124   4.618   5.551  -8.711
  952    HA   TYR 124           HA       TYR 124   2.899   5.919 -10.058
  953    HB2  TYR 124           HB2      TYR 124   4.909   4.494 -11.747
  954    HB3  TYR 124           HB3      TYR 124   3.376   4.905 -12.473
  955    HD1  TYR 124           HD2      TYR 124   6.003   6.606 -10.323
  956    HD2  TYR 124           HD1      TYR 124   3.361   6.838 -13.734
  957    HE1  TYR 124           HE2      TYR 124   7.003   8.753 -10.950
  958    HE2  TYR 124           HE1      TYR 124   4.307   9.029 -14.325
  959    HH   TYR 124           HH       TYR 124   5.943  10.618 -13.859
  960    H    LYS 125           H        LYS 125   1.194   5.081 -11.561
  961    HA   LYS 125           HA       LYS 125   0.541   2.187 -11.221
  962    HB2  LYS 125           HB2      LYS 125  -1.537   4.377 -10.954
  963    HB3  LYS 125           HB3      LYS 125  -1.793   2.667 -10.746
  964    HG2  LYS 125           HG2      LYS 125   0.004   4.297  -8.903
  965    HG3  LYS 125           HG3      LYS 125  -1.714   4.089  -8.650
  966    HD2  LYS 125           HD2      LYS 125   0.075   1.657  -8.975
  967    HD3  LYS 125           HD3      LYS 125  -0.041   2.475  -7.419
  968    HE2  LYS 125           HE2      LYS 125  -2.519   1.597  -8.949
  969    HE3  LYS 125           HE3      LYS 125  -1.652   0.479  -7.892
  970    HZ1  LYS 125           HZ1      LYS 125  -2.531   3.107  -6.863
  971    HZ2  LYS 125           HZ2      LYS 125  -3.552   1.802  -6.880
  972    HZ3  LYS 125           HZ3      LYS 125  -2.156   1.749  -6.036
  973    H    PHE 126           H        PHE 126   1.037   4.707 -13.356
  974    HA   PHE 126           HA       PHE 126  -0.896   4.356 -15.403
  975    HB2  PHE 126           HB2      PHE 126   2.084   4.902 -15.560
  976    HB3  PHE 126           HB3      PHE 126   1.002   4.954 -16.938
  977    HD1  PHE 126           HD2      PHE 126  -1.193   6.408 -14.805
  978    HD2  PHE 126           HD1      PHE 126   2.733   7.178 -16.422
  979    HE1  PHE 126           HE2      PHE 126  -1.502   8.823 -14.416
  980    HE2  PHE 126           HE1      PHE 126   2.403   9.601 -16.049
  981    HZ   PHE 126           HZ       PHE 126   0.289  10.434 -15.028
  Start of MODEL    5
    1    H1   MET   1           H1       MET   1  10.310  -1.443  -0.226
    2    H2   MET   1           H2       MET   1  10.834  -0.297  -1.273
    3    H3   MET   1           H3       MET   1  11.569  -0.469   0.176
    4    HA   MET   1           HA       MET   1   8.805   0.420  -0.258
    5    HB2  MET   1           HB2      MET   1   8.904  -0.830   1.801
    6    HB3  MET   1           HB3      MET   1  10.355   0.018   2.333
    7    HG2  MET   1           HG2      MET   1   8.262   0.763   3.461
    8    HG3  MET   1           HG3      MET   1   9.179   2.043   2.698
    9    HE1  MET   1           HE1      MET   1   5.876  -0.002   2.796
   10    HE2  MET   1           HE2      MET   1   5.055   0.459   1.290
   11    HE3  MET   1           HE3      MET   1   6.499  -0.571   1.230
   12    H    ALA   2           H        ALA   2   8.668   2.480  -0.925
   13    HA   ALA   2           HA       ALA   2  10.971   4.194  -1.117
   14    HB1  ALA   2           HB1      ALA   2   9.404   5.785  -2.083
   15    HB2  ALA   2           HB2      ALA   2   9.127   4.175  -2.757
   16    HB3  ALA   2           HB3      ALA   2   8.020   4.822  -1.517
   17    H    SER   3           H        SER   3   8.665   3.680   1.438
   18    HA   SER   3           HA       SER   3   8.072   4.731   3.304
   19    HB2  SER   3           HB2      SER   3  10.847   5.943   3.307
   20    HB3  SER   3           HB3      SER   3   9.782   5.662   4.693
   21    HG   SER   3           HG       SER   3  11.384   4.020   4.452
   22    H    VAL   4           H        VAL   4   7.485   6.199   0.782
   23    HA   VAL   4           HA       VAL   4   7.541   9.007   1.352
   24    HB   VAL   4           HB       VAL   4   5.683   9.065  -0.273
   25   HG11  VAL   4          HG11      VAL   4   8.142   7.513  -1.125
   26   HG12  VAL   4          HG12      VAL   4   7.011   8.322  -2.218
   27   HG13  VAL   4          HG13      VAL   4   7.942   9.276  -1.050
   28   HG21  VAL   4          HG21      VAL   4   4.601   6.884   0.186
   29   HG22  VAL   4          HG22      VAL   4   4.961   7.128  -1.522
   30   HG23  VAL   4          HG23      VAL   4   5.984   6.047  -0.554
   31    H    GLU   5           H        GLU   5   5.694  10.285   2.113
   32    HA   GLU   5           HA       GLU   5   4.950   9.455   4.666
   33    HB2  GLU   5           HB2      GLU   5   5.089  11.817   3.805
   34    HB3  GLU   5           HB3      GLU   5   3.579  11.544   2.926
   35    HG2  GLU   5           HG2      GLU   5   2.605  10.855   5.262
   36    HG3  GLU   5           HG3      GLU   5   4.070  11.570   5.924
   37    H    ARG   6           H        ARG   6   3.438   8.033   5.361
   38    HA   ARG   6           HA       ARG   6   1.972   6.330   5.228
   39    HB2  ARG   6           HB2      ARG   6   0.410   8.865   4.789
   40    HB3  ARG   6           HB3      ARG   6  -0.343   7.286   5.130
   41    HG2  ARG   6           HG2      ARG   6   0.755   7.094   7.262
   42    HG3  ARG   6           HG3      ARG   6   1.764   8.519   6.948
   43    HD2  ARG   6           HD2      ARG   6  -0.074   9.067   8.441
   44    HD3  ARG   6           HD3      ARG   6  -0.152   9.962   6.908
   45    HE   ARG   6           HE       ARG   6  -1.723   7.771   6.399
   46   HH11  ARG   6          HH21      ARG   6  -1.887  10.178   9.010
   47   HH12  ARG   6          HH22      ARG   6  -3.593  10.017   9.212
   48   HH21  ARG   6          HH11      ARG   6  -3.873   7.576   6.612
   49   HH22  ARG   6          HH12      ARG   6  -4.783   8.459   7.808
   50    H    ASP   7           H        ASP   7   3.228   5.827   3.209
   51    HA   ASP   7           HA       ASP   7   2.355   5.814   0.634
   52    HB2  ASP   7           HB2      ASP   7   4.348   4.626   1.323
   53    HB3  ASP   7           HB3      ASP   7   3.388   3.449   2.224
   54    H    GLU   8           H        GLU   8   0.782   3.937   3.211
   55    HA   GLU   8           HA       GLU   8  -0.935   2.547   1.290
   56    HB2  GLU   8           HB2      GLU   8  -2.006   1.511   3.176
   57    HB3  GLU   8           HB3      GLU   8  -0.265   1.335   3.283
   58    HG2  GLU   8           HG2      GLU   8  -1.822   3.427   4.874
   59    HG3  GLU   8           HG3      GLU   8  -1.556   1.789   5.432
   60    H    THR   9           H        THR   9  -1.232   5.403   3.413
   61    HA   THR   9           HA       THR   9  -4.042   5.829   2.815
   62    HB   THR   9           HB       THR   9  -1.932   7.838   3.633
   63    HG1  THR   9           HG1      THR   9  -2.859   5.763   4.978
   64   HG21  THR   9          HG21      THR   9  -4.958   7.890   3.969
   65   HG22  THR   9          HG22      THR   9  -3.812   9.093   4.610
   66   HG23  THR   9          HG23      THR   9  -4.012   8.914   2.865
   67    H    ARG  10           H        ARG  10  -0.924   6.575   1.218
   68    HA   ARG  10           HA       ARG  10  -2.006   8.330  -0.785
   69    HB2  ARG  10           HB2      ARG  10   0.561   6.892  -0.381
   70    HB3  ARG  10           HB3      ARG  10   0.045   6.865  -2.059
   71    HG2  ARG  10           HG2      ARG  10   1.367   8.791  -1.879
   72    HG3  ARG  10           HG3      ARG  10  -0.296   9.382  -1.911
   73    HD2  ARG  10           HD2      ARG  10   0.283   8.913   0.828
   74    HD3  ARG  10           HD3      ARG  10   1.765   9.616   0.146
   75    HE   ARG  10           HE       ARG  10  -0.473  11.143  -0.737
   76   HH11  ARG  10          HH11      ARG  10   1.358  10.531   2.245
   77   HH12  ARG  10          HH12      ARG  10   1.031  12.105   2.928
   78   HH21  ARG  10          HH21      ARG  10  -0.951  13.052   0.075
   79   HH22  ARG  10          HH22      ARG  10  -0.433  13.595   1.664
   80    H    GLU  11           H        GLU  11  -1.279   4.770  -0.934
   81    HA   GLU  11           HA       GLU  11  -2.455   4.402  -3.449
   82    HB2  GLU  11           HB2      GLU  11  -2.217   2.503  -1.082
   83    HB3  GLU  11           HB3      GLU  11  -2.814   2.005  -2.677
   84    HG2  GLU  11           HG2      GLU  11  -0.713   2.804  -3.720
   85    HG3  GLU  11           HG3      GLU  11  -0.073   3.215  -2.134
   86    H    HIS  12           H        HIS  12  -4.063   4.177  -0.231
   87    HA   HIS  12           HA       HIS  12  -6.628   3.467  -1.156
   88    HB2  HIS  12           HB2      HIS  12  -6.076   3.338   1.177
   89    HB3  HIS  12           HB3      HIS  12  -5.659   5.047   1.246
   90    HD1  HIS  12           HD1      HIS  12  -9.033   3.854  -0.251
   91    HD2  HIS  12           HD2      HIS  12  -7.353   5.782   3.095
   92    HE1  HIS  12           HE1      HIS  12 -10.978   4.822   1.070
   93    H    ARG  13           H        ARG  13  -5.394   6.842  -0.508
   94    HA   ARG  13           HA       ARG  13  -7.977   7.885  -1.367
   95    HB2  ARG  13           HB2      ARG  13  -5.416   9.308  -0.575
   96    HB3  ARG  13           HB3      ARG  13  -6.963  10.099  -0.886
   97    HG2  ARG  13           HG2      ARG  13  -6.437   8.032   1.303
   98    HG3  ARG  13           HG3      ARG  13  -6.556   9.766   1.539
   99    HD2  ARG  13           HD2      ARG  13  -8.835   7.983   0.540
  100    HD3  ARG  13           HD3      ARG  13  -8.603   8.515   2.195
  101    HE   ARG  13           HE       ARG  13  -8.837  10.833   1.471
  102   HH11  ARG  13          HH11      ARG  13 -10.302   8.392  -0.807
  103   HH12  ARG  13          HH12      ARG  13 -11.407   9.610  -1.396
  104   HH21  ARG  13          HH21      ARG  13 -10.392  12.258   0.542
  105   HH22  ARG  13          HH22      ARG  13 -11.457  11.635  -0.703
  106    H    ILE  14           H        ILE  14  -4.829   7.512  -2.942
  107    HA   ILE  14           HA       ILE  14  -5.451   9.063  -5.270
  108    HB   ILE  14           HB       ILE  14  -3.673   6.655  -4.728
  109   HG12  ILE  14          HG12      ILE  14  -2.905   9.522  -5.434
  110   HG13  ILE  14          HG13      ILE  14  -3.184   9.027  -3.777
  111   HG21  ILE  14          HG21      ILE  14  -4.319   6.446  -7.037
  112   HG22  ILE  14          HG22      ILE  14  -3.945   8.162  -7.352
  113   HG23  ILE  14          HG23      ILE  14  -2.649   7.011  -6.957
  114   HD11  ILE  14          HD11      ILE  14  -0.828   8.986  -4.148
  115   HD12  ILE  14          HD12      ILE  14  -1.364   7.308  -4.003
  116   HD13  ILE  14          HD13      ILE  14  -1.004   7.983  -5.598
  117    H    GLU  15           H        GLU  15  -5.922   5.555  -4.479
  118    HA   GLU  15           HA       GLU  15  -7.220   4.926  -6.860
  119    HB2  GLU  15           HB2      GLU  15  -6.290   3.258  -5.378
  120    HB3  GLU  15           HB3      GLU  15  -7.439   3.673  -4.092
  121    HG2  GLU  15           HG2      GLU  15  -9.305   2.853  -5.411
  122    HG3  GLU  15           HG3      GLU  15  -8.253   2.571  -6.806
  123    H    THR  16           H        THR  16  -8.645   6.074  -3.759
  124    HA   THR  16           HA       THR  16 -11.346   5.709  -4.820
  125    HB   THR  16           HB       THR  16 -12.020   6.575  -2.545
  126    HG1  THR  16           HG1      THR  16  -9.289   6.187  -1.903
  127   HG21  THR  16          HG21      THR  16 -10.151   4.166  -2.629
  128   HG22  THR  16          HG22      THR  16 -11.383   4.510  -1.389
  129   HG23  THR  16          HG23      THR  16 -11.873   4.176  -3.054
  130    H    GLU  17           H        GLU  17  -9.178   8.382  -4.829
  131    HA   GLU  17           HA       GLU  17 -11.460  10.212  -5.395
  132    HB2  GLU  17           HB2      GLU  17  -9.946  10.253  -3.156
  133    HB3  GLU  17           HB3      GLU  17  -8.927  11.252  -4.177
  134    HG2  GLU  17           HG2      GLU  17 -10.399  12.682  -2.934
  135    HG3  GLU  17           HG3      GLU  17 -10.916  12.741  -4.616
  136    H    ILE  18           H        ILE  18  -8.413   9.111  -6.706
  137    HA   ILE  18           HA       ILE  18  -8.345  11.513  -8.491
  138    HB   ILE  18           HB       ILE  18  -6.014   9.807  -7.553
  139   HG12  ILE  18          HG12      ILE  18  -7.065  12.497  -6.572
  140   HG13  ILE  18          HG13      ILE  18  -6.900  11.012  -5.639
  141   HG21  ILE  18          HG21      ILE  18  -6.088  12.447  -9.067
  142   HG22  ILE  18          HG22      ILE  18  -4.638  11.561  -8.553
  143   HG23  ILE  18          HG23      ILE  18  -5.686  10.866  -9.772
  144   HD11  ILE  18          HD11      ILE  18  -4.405  11.166  -5.930
  145   HD12  ILE  18          HD12      ILE  18  -4.650  12.789  -6.618
  146   HD13  ILE  18          HD13      ILE  18  -5.148  12.449  -4.955
  147    H    ILE  19           H        ILE  19  -7.721   7.941  -8.414
  148    HA   ILE  19           HA       ILE  19  -8.243   7.927 -11.357
  149    HB   ILE  19           HB       ILE  19  -6.916   5.936 -11.467
  150   HG12  ILE  19          HG12      ILE  19  -6.176   6.504  -8.562
  151   HG13  ILE  19          HG13      ILE  19  -7.247   5.194  -9.102
  152   HG21  ILE  19          HG21      ILE  19  -5.399   8.279 -10.241
  153   HG22  ILE  19          HG22      ILE  19  -4.793   7.091 -11.409
  154   HG23  ILE  19          HG23      ILE  19  -6.038   8.235 -11.900
  155   HD11  ILE  19          HD11      ILE  19  -5.402   4.351 -10.529
  156   HD12  ILE  19          HD12      ILE  19  -4.331   5.572  -9.785
  157   HD13  ILE  19          HD13      ILE  19  -5.059   4.300  -8.774
  158    H    VAL  20           H        VAL  20 -10.088   7.638  -8.829
  159    HA   VAL  20           HA       VAL  20 -11.259   5.118  -8.857
  160    HB   VAL  20           HB       VAL  20 -11.645   6.934  -7.251
  161   HG11  VAL  20          HG11      VAL  20 -11.971   8.859  -8.760
  162   HG12  VAL  20          HG12      VAL  20 -13.540   8.187  -9.264
  163   HG13  VAL  20          HG13      VAL  20 -13.277   8.690  -7.585
  164   HG21  VAL  20          HG21      VAL  20 -13.964   6.449  -6.734
  165   HG22  VAL  20          HG22      VAL  20 -14.246   5.856  -8.384
  166   HG23  VAL  20          HG23      VAL  20 -13.142   4.984  -7.295
  167    H    ASP  21           H        ASP  21 -11.687   7.761 -11.193
  168    HA   ASP  21           HA       ASP  21 -13.880   6.420 -12.592
  169    HB2  ASP  21           HB2      ASP  21 -13.752   8.882 -12.289
  170    HB3  ASP  21           HB3      ASP  21 -12.274   8.919 -13.252
  171    H    ALA  22           H        ALA  22 -10.522   5.944 -12.583
  172    HA   ALA  22           HA       ALA  22 -10.077   5.844 -15.452
  173    HB1  ALA  22           HB1      ALA  22  -7.837   5.118 -14.883
  174    HB2  ALA  22           HB2      ALA  22  -8.276   6.470 -13.828
  175    HB3  ALA  22           HB3      ALA  22  -8.306   4.793 -13.210
  176    H    GLU  23           H        GLU  23  -8.931   3.754 -16.268
  177    HA   GLU  23           HA       GLU  23 -10.248   1.262 -15.439
  178    HB2  GLU  23           HB2      GLU  23 -11.884   2.447 -16.918
  179    HB3  GLU  23           HB3      GLU  23 -10.680   2.467 -18.211
  180    HG2  GLU  23           HG2      GLU  23 -10.679  -0.001 -18.273
  181    HG3  GLU  23           HG3      GLU  23 -11.780  -0.056 -16.893
  182    H    ASP  24           H        ASP  24  -7.943   3.013 -17.565
  183    HA   ASP  24           HA       ASP  24  -6.075   0.772 -17.337
  184    HB2  ASP  24           HB2      ASP  24  -7.329   0.608 -19.591
  185    HB3  ASP  24           HB3      ASP  24  -6.543   2.144 -19.997
  186    H    LYS  25           H        LYS  25  -3.887   1.733 -18.295
  187    HA   LYS  25           HA       LYS  25  -3.340   3.779 -16.447
  188    HB2  LYS  25           HB2      LYS  25  -1.074   3.764 -17.190
  189    HB3  LYS  25           HB3      LYS  25  -1.773   2.171 -16.889
  190    HG2  LYS  25           HG2      LYS  25  -1.939   1.813 -19.351
  191    HG3  LYS  25           HG3      LYS  25  -1.235   3.417 -19.621
  192    HD2  LYS  25           HD2      LYS  25   0.440   1.612 -19.814
  193    HD3  LYS  25           HD3      LYS  25   0.860   2.737 -18.524
  194    HE2  LYS  25           HE2      LYS  25  -0.815   0.375 -17.751
  195    HE3  LYS  25           HE3      LYS  25   0.835   0.001 -18.292
  196    HZ1  LYS  25           HZ1      LYS  25   1.597   1.613 -16.524
  197    HZ2  LYS  25           HZ2      LYS  25   0.072   1.681 -15.955
  198    HZ3  LYS  25           HZ3      LYS  25   0.873   0.269 -15.961
  199    H    GLU  26           H        GLU  26  -4.136   4.193 -19.846
  200    HA   GLU  26           HA       GLU  26  -3.211   6.945 -20.031
  201    HB2  GLU  26           HB2      GLU  26  -5.339   5.365 -21.544
  202    HB3  GLU  26           HB3      GLU  26  -4.907   7.039 -21.914
  203    HG2  GLU  26           HG2      GLU  26  -2.557   6.356 -22.325
  204    HG3  GLU  26           HG3      GLU  26  -2.978   4.677 -21.984
  205    H    GLU  27           H        GLU  27  -6.196   5.309 -18.935
  206    HA   GLU  27           HA       GLU  27  -7.644   7.780 -18.444
  207    HB2  GLU  27           HB2      GLU  27  -8.188   5.049 -17.263
  208    HB3  GLU  27           HB3      GLU  27  -9.297   6.406 -17.406
  209    HG2  GLU  27           HG2      GLU  27  -8.187   4.695 -19.663
  210    HG3  GLU  27           HG3      GLU  27  -9.835   4.713 -19.056
  211    H    ARG  28           H        ARG  28  -5.428   5.700 -16.554
  212    HA   ARG  28           HA       ARG  28  -5.959   6.998 -14.031
  213    HB2  ARG  28           HB2      ARG  28  -3.435   5.607 -15.034
  214    HB3  ARG  28           HB3      ARG  28  -3.687   6.142 -13.377
  215    HG2  ARG  28           HG2      ARG  28  -5.586   4.618 -13.109
  216    HG3  ARG  28           HG3      ARG  28  -5.452   4.105 -14.796
  217    HD2  ARG  28           HD2      ARG  28  -3.145   3.265 -14.330
  218    HD3  ARG  28           HD3      ARG  28  -3.370   3.660 -12.619
  219    HE   ARG  28           HE       ARG  28  -5.499   2.145 -12.936
  220   HH11  ARG  28          HH11      ARG  28  -2.193   1.462 -14.171
  221   HH12  ARG  28          HH12      ARG  28  -2.483  -0.239 -14.259
  222   HH21  ARG  28          HH21      ARG  28  -5.806  -0.109 -13.055
  223   HH22  ARG  28          HH22      ARG  28  -4.545  -1.144 -13.599
  224    H    ALA  29           H        ALA  29  -3.576   7.632 -16.657
  225    HA   ALA  29           HA       ALA  29  -2.399   9.911 -15.467
  226    HB1  ALA  29           HB1      ALA  29  -2.834   9.336 -18.427
  227    HB2  ALA  29           HB2      ALA  29  -1.621  10.424 -17.712
  228    HB3  ALA  29           HB3      ALA  29  -1.513   8.676 -17.444
  229    H    MET  30           H        MET  30  -5.333   9.631 -17.570
  230    HA   MET  30           HA       MET  30  -5.869  12.448 -17.520
  231    HB2  MET  30           HB2      MET  30  -7.671  10.077 -18.041
  232    HB3  MET  30           HB3      MET  30  -8.188  11.758 -18.174
  233    HG2  MET  30           HG2      MET  30  -5.919  10.508 -19.775
  234    HG3  MET  30           HG3      MET  30  -7.554  10.792 -20.340
  235    HE1  MET  30           HE1      MET  30  -4.082  13.730 -20.389
  236    HE2  MET  30           HE2      MET  30  -4.463  13.223 -18.746
  237    HE3  MET  30           HE3      MET  30  -4.059  12.005 -19.967
  238    H    GLY  31           H        GLY  31  -6.893   9.841 -15.264
  239    HA2  GLY  31           HA2      GLY  31  -8.650  11.368 -13.684
  240    HA3  GLY  31           HA3      GLY  31  -7.646  10.017 -13.117
  241    H    TRP  32           H        TRP  32  -5.087  10.877 -13.280
  242    HA   TRP  32           HA       TRP  32  -4.713  12.724 -11.154
  243    HB2  TRP  32           HB2      TRP  32  -2.925  11.599 -13.329
  244    HB3  TRP  32           HB3      TRP  32  -2.354  12.878 -12.272
  245    HD1  TRP  32           HD1      TRP  32  -2.837   9.178 -12.311
  246    HE1  TRP  32           HE1      TRP  32  -1.896   8.193 -10.145
  247    HE3  TRP  32           HE3      TRP  32  -2.390  13.498  -9.616
  248    HZ2  TRP  32           HZ2      TRP  32  -1.277   9.156  -7.471
  249    HZ3  TRP  32           HZ3      TRP  32  -1.629  13.438  -7.253
  250    HH2  TRP  32           HH2      TRP  32  -1.058  11.272  -6.178
  251    H    TYR  33           H        TYR  33  -4.547  13.231 -14.724
  252    HA   TYR  33           HA       TYR  33  -3.643  15.896 -14.590
  253    HB2  TYR  33           HB2      TYR  33  -3.440  14.678 -16.630
  254    HB3  TYR  33           HB3      TYR  33  -5.149  14.282 -16.647
  255    HD1  TYR  33           HD1      TYR  33  -3.132  17.479 -16.492
  256    HD2  TYR  33           HD2      TYR  33  -6.363  15.290 -18.308
  257    HE1  TYR  33           HE1      TYR  33  -3.678  19.454 -17.872
  258    HE2  TYR  33           HE2      TYR  33  -6.977  17.275 -19.633
  259    HH   TYR  33           HH       TYR  33  -6.441  19.485 -20.181
  260    H    TYR  34           H        TYR  34  -7.043  14.605 -14.747
  261    HA   TYR  34           HA       TYR  34  -8.225  17.213 -14.910
  262    HB2  TYR  34           HB2      TYR  34  -9.378  14.583 -13.912
  263    HB3  TYR  34           HB3      TYR  34 -10.300  16.014 -14.338
  264    HD1  TYR  34           HD1      TYR  34  -8.231  16.315 -16.996
  265    HD2  TYR  34           HD2      TYR  34 -10.942  13.367 -15.365
  266    HE1  TYR  34           HE1      TYR  34  -8.653  15.445 -19.260
  267    HE2  TYR  34           HE2      TYR  34 -11.338  12.472 -17.638
  268    HH   TYR  34           HH       TYR  34  -9.771  13.867 -20.558
  269    H    TYR  35           H        TYR  35  -7.457  15.004 -12.155
  270    HA   TYR  35           HA       TYR  35  -8.808  16.527 -10.175
  271    HB2  TYR  35           HB2      TYR  35  -8.020  14.166  -9.981
  272    HB3  TYR  35           HB3      TYR  35  -6.358  14.734  -9.921
  273    HD1  TYR  35           HD1      TYR  35  -9.675  14.966  -8.173
  274    HD2  TYR  35           HD2      TYR  35  -5.388  15.265  -7.808
  275    HE1  TYR  35           HE1      TYR  35  -9.899  15.131  -5.715
  276    HE2  TYR  35           HE2      TYR  35  -5.597  15.459  -5.356
  277    HH   TYR  35           HH       TYR  35  -7.060  15.491  -3.535
  278    H    LEU  36           H        LEU  36  -5.385  16.629 -11.313
  279    HA   LEU  36           HA       LEU  36  -4.609  18.720  -9.482
  280    HB2  LEU  36           HB2      LEU  36  -3.393  17.315 -11.848
  281    HB3  LEU  36           HB3      LEU  36  -2.758  18.889 -11.423
  282    HG   LEU  36           HG       LEU  36  -2.077  18.229  -9.249
  283   HD11  LEU  36          HD11      LEU  36  -3.856  16.813  -8.460
  284   HD12  LEU  36          HD12      LEU  36  -3.511  15.585  -9.701
  285   HD13  LEU  36          HD13      LEU  36  -2.352  15.898  -8.384
  286   HD21  LEU  36          HD21      LEU  36  -1.420  15.952 -11.172
  287   HD22  LEU  36          HD22      LEU  36  -0.655  17.550 -11.199
  288   HD23  LEU  36          HD23      LEU  36  -0.440  16.493  -9.791
  289    H    ASP  37           H        ASP  37  -5.737  18.709 -12.925
  290    HA   ASP  37           HA       ASP  37  -5.466  21.486 -13.347
  291    HB2  ASP  37           HB2      ASP  37  -5.915  19.995 -15.194
  292    HB3  ASP  37           HB3      ASP  37  -7.408  19.423 -14.448
  293    H    ASP  38           H        ASP  38  -8.057  19.663 -11.693
  294    HA   ASP  38           HA       ASP  38  -9.751  22.006 -11.402
  295    HB2  ASP  38           HB2      ASP  38 -10.663  19.720 -11.486
  296    HB3  ASP  38           HB3      ASP  38  -9.777  19.294 -10.020
  297    H    THR  39           H        THR  39  -7.010  20.719  -9.639
  298    HA   THR  39           HA       THR  39  -7.886  22.034  -7.115
  299    HB   THR  39           HB       THR  39  -5.625  20.104  -7.770
  300    HG1  THR  39           HG1      THR  39  -7.477  19.049  -7.921
  301   HG21  THR  39          HG21      THR  39  -6.515  21.352  -5.156
  302   HG22  THR  39          HG22      THR  39  -5.662  19.794  -5.211
  303   HG23  THR  39          HG23      THR  39  -4.890  21.259  -5.845
  304    H    LEU  40           H        LEU  40  -5.117  22.110  -9.402
  305    HA   LEU  40           HA       LEU  40  -3.474  23.711  -7.683
  306    HB2  LEU  40           HB2      LEU  40  -3.365  23.121 -10.652
  307    HB3  LEU  40           HB3      LEU  40  -2.072  23.929  -9.772
  308    HG   LEU  40           HG       LEU  40  -3.023  21.112  -9.108
  309   HD11  LEU  40          HD11      LEU  40  -2.166  21.229 -11.447
  310   HD12  LEU  40          HD12      LEU  40  -0.680  22.007 -10.868
  311   HD13  LEU  40          HD13      LEU  40  -1.047  20.333 -10.407
  312   HD21  LEU  40          HD21      LEU  40  -0.452  22.529  -8.374
  313   HD22  LEU  40          HD22      LEU  40  -1.797  22.096  -7.282
  314   HD23  LEU  40          HD23      LEU  40  -0.859  20.829  -8.057
  315    H    GLU  41           H        GLU  41  -3.387  25.874  -7.433
  316    HA   GLU  41           HA       GLU  41  -5.296  27.560  -8.735
  317    HB2  GLU  41           HB2      GLU  41  -4.584  29.246  -7.218
  318    HB3  GLU  41           HB3      GLU  41  -4.700  27.733  -6.348
  319    HG2  GLU  41           HG2      GLU  41  -2.483  27.713  -5.796
  320    HG3  GLU  41           HG3      GLU  41  -1.953  28.280  -7.367
  321    H    PHE  42           H        PHE  42  -3.232  26.543 -10.664
  322    HA   PHE  42           HA       PHE  42  -1.254  28.514 -11.127
  323    HB2  PHE  42           HB2      PHE  42  -1.021  27.448 -13.380
  324    HB3  PHE  42           HB3      PHE  42  -0.861  26.389 -12.004
  325    HD1  PHE  42           HD2      PHE  42  -3.502  27.552 -14.476
  326    HD2  PHE  42           HD1      PHE  42  -1.889  24.313 -12.125
  327    HE1  PHE  42           HE2      PHE  42  -5.147  26.000 -15.477
  328    HE2  PHE  42           HE1      PHE  42  -3.566  22.775 -13.106
  329    HZ   PHE  42           HZ       PHE  42  -5.189  23.613 -14.788
  330    HA   PRO  43           HA       PRO  43  -0.184  29.435 -13.379
  331    HB2  PRO  43           HB2      PRO  43   0.490  32.059 -13.739
  332    HB3  PRO  43           HB3      PRO  43  -0.275  31.061 -15.010
  333    HG2  PRO  43           HG2      PRO  43  -1.639  32.996 -13.126
  334    HG3  PRO  43           HG3      PRO  43  -1.811  32.867 -14.907
  335    HD2  PRO  43           HD2      PRO  43  -3.587  31.692 -13.216
  336    HD3  PRO  43           HD3      PRO  43  -3.091  30.885 -14.732
  337    H    PHE  44           H        PHE  44   1.602  29.682 -11.957
  338    HA   PHE  44           HA       PHE  44   1.344  31.398  -9.604
  339    HB2  PHE  44           HB2      PHE  44   1.626  29.665  -7.966
  340    HB3  PHE  44           HB3      PHE  44   0.105  29.489  -8.804
  341    HD1  PHE  44           HD1      PHE  44   3.637  28.127  -8.968
  342    HD2  PHE  44           HD2      PHE  44  -0.566  27.288  -9.276
  343    HE1  PHE  44           HE1      PHE  44   4.153  25.741  -9.143
  344    HE2  PHE  44           HE2      PHE  44  -0.047  24.878  -9.526
  345    HZ   PHE  44           HZ       PHE  44   2.307  24.088  -9.463
  346    H    MET  45           H        MET  45   3.436  31.203  -8.242
  347    HA   MET  45           HA       MET  45   5.716  30.961 -10.120
  348    HB2  MET  45           HB2      MET  45   5.429  33.027  -8.747
  349    HB3  MET  45           HB3      MET  45   5.373  32.053  -7.273
  350    HG2  MET  45           HG2      MET  45   7.736  31.328  -7.728
  351    HG3  MET  45           HG3      MET  45   7.767  32.454  -9.090
  352    HE1  MET  45           HE1      MET  45   9.917  33.663  -8.038
  353    HE2  MET  45           HE2      MET  45  10.049  34.037  -6.304
  354    HE3  MET  45           HE3      MET  45   9.842  32.349  -6.841
  355    H    GLY  46           H        GLY  46   7.498  29.478  -9.684
  356    HA2  GLY  46           HA2      GLY  46   7.448  27.958  -7.192
  357    HA3  GLY  46           HA3      GLY  46   7.178  27.003  -8.661
  358    H    LYS  47           H        LYS  47   9.276  26.293  -7.349
  359    HA   LYS  47           HA       LYS  47  11.593  27.488  -8.818
  360    HB2  LYS  47           HB2      LYS  47  11.734  27.117  -6.228
  361    HB3  LYS  47           HB3      LYS  47  11.717  25.399  -6.590
  362    HG2  LYS  47           HG2      LYS  47  14.009  25.963  -6.377
  363    HG3  LYS  47           HG3      LYS  47  13.742  25.805  -8.107
  364    HD2  LYS  47           HD2      LYS  47  15.088  27.744  -7.818
  365    HD3  LYS  47           HD3      LYS  47  13.476  28.356  -8.192
  366    HE2  LYS  47           HE2      LYS  47  13.047  28.878  -5.859
  367    HE3  LYS  47           HE3      LYS  47  14.526  28.055  -5.349
  368    HZ1  LYS  47           HZ1      LYS  47  15.823  29.743  -6.434
  369    HZ2  LYS  47           HZ2      LYS  47  14.511  30.473  -7.077
  370    HZ3  LYS  47           HZ3      LYS  47  14.756  30.488  -5.457
  371    H    TRP  48           H        TRP  48  12.228  26.382 -10.593
  372    HA   TRP  48           HA       TRP  48  11.165  23.667 -11.137
  373    HB2  TRP  48           HB2      TRP  48  11.280  25.413 -12.940
  374    HB3  TRP  48           HB3      TRP  48  13.024  25.454 -12.774
  375    HD1  TRP  48           HD1      TRP  48  12.238  21.939 -12.497
  376    HE1  TRP  48           HE1      TRP  48  12.409  20.687 -14.674
  377    HE3  TRP  48           HE3      TRP  48  12.152  25.932 -15.697
  378    HZ2  TRP  48           HZ2      TRP  48  12.559  21.317 -17.516
  379    HZ3  TRP  48           HZ3      TRP  48  12.252  25.565 -18.148
  380    HH2  TRP  48           HH2      TRP  48  12.474  23.267 -19.065
  381    H    LYS  49           H        LYS  49  12.195  22.215  -9.853
  382    HA   LYS  49           HA       LYS  49  15.035  22.380  -9.156
  383    HB2  LYS  49           HB2      LYS  49  12.654  20.673  -8.272
  384    HB3  LYS  49           HB3      LYS  49  14.310  20.377  -7.746
  385    HG2  LYS  49           HG2      LYS  49  14.431  22.554  -6.651
  386    HG3  LYS  49           HG3      LYS  49  12.867  23.033  -7.312
  387    HD2  LYS  49           HD2      LYS  49  12.615  22.439  -4.991
  388    HD3  LYS  49           HD3      LYS  49  11.734  21.287  -6.010
  389    HE2  LYS  49           HE2      LYS  49  13.544  19.639  -5.762
  390    HE3  LYS  49           HE3      LYS  49  14.508  20.801  -4.836
  391    HZ1  LYS  49           HZ1      LYS  49  12.798  20.744  -3.114
  392    HZ2  LYS  49           HZ2      LYS  49  11.908  19.668  -3.969
  393    HZ3  LYS  49           HZ3      LYS  49  13.369  19.246  -3.390
  394    H    LYS  50           H        LYS  50  15.330  22.207 -11.540
  395    HA   LYS  50           HA       LYS  50  14.333  19.929 -13.054
  396    HB2  LYS  50           HB2      LYS  50  15.080  22.211 -13.972
  397    HB3  LYS  50           HB3      LYS  50  16.744  21.697 -13.684
  398    HG2  LYS  50           HG2      LYS  50  16.402  19.762 -15.214
  399    HG3  LYS  50           HG3      LYS  50  14.723  20.255 -15.470
  400    HD2  LYS  50           HD2      LYS  50  15.496  22.398 -16.449
  401    HD3  LYS  50           HD3      LYS  50  17.186  21.916 -16.171
  402    HE2  LYS  50           HE2      LYS  50  16.850  19.926 -17.629
  403    HE3  LYS  50           HE3      LYS  50  15.177  20.418 -17.920
  404    HZ1  LYS  50           HZ1      LYS  50  17.572  21.978 -18.710
  405    HZ2  LYS  50           HZ2      LYS  50  16.634  21.108 -19.715
  406    HZ3  LYS  50           HZ3      LYS  50  16.023  22.429 -18.986
  407    H    LYS  51           H        LYS  51  15.227  17.783 -13.063
  408    HA   LYS  51           HA       LYS  51  17.454  17.065 -11.526
  409    HB2  LYS  51           HB2      LYS  51  15.802  15.524 -12.754
  410    HB3  LYS  51           HB3      LYS  51  16.779  15.789 -14.207
  411    HG2  LYS  51           HG2      LYS  51  18.799  14.943 -12.831
  412    HG3  LYS  51           HG3      LYS  51  17.653  14.557 -11.554
  413    HD2  LYS  51           HD2      LYS  51  18.059  12.528 -12.747
  414    HD3  LYS  51           HD3      LYS  51  16.438  13.052 -13.166
  415    HE2  LYS  51           HE2      LYS  51  17.597  12.205 -15.126
  416    HE3  LYS  51           HE3      LYS  51  17.252  13.920 -15.340
  417    HZ1  LYS  51           HZ1      LYS  51  19.531  13.176 -15.993
  418    HZ2  LYS  51           HZ2      LYS  51  19.543  14.429 -14.948
  419    HZ3  LYS  51           HZ3      LYS  51  19.898  12.930 -14.410
  420    H    SER  52           H        SER  52  19.708  17.083 -11.836
  421    HA   SER  52           HA       SER  52  20.935  18.875 -13.616
  422    HB2  SER  52           HB2      SER  52  22.035  16.352 -12.331
  423    HB3  SER  52           HB3      SER  52  23.017  17.661 -13.024
  424    HG   SER  52           HG       SER  52  22.345  19.034 -11.446
  425    H    ARG  53           H        ARG  53  22.125  18.630 -15.479
  426    HA   ARG  53           HA       ARG  53  20.841  17.284 -17.557
  427    HB2  ARG  53           HB2      ARG  53  22.265  19.339 -17.655
  428    HB3  ARG  53           HB3      ARG  53  23.706  18.336 -17.446
  429    HG2  ARG  53           HG2      ARG  53  23.216  17.161 -19.580
  430    HG3  ARG  53           HG3      ARG  53  21.731  18.120 -19.769
  431    HD2  ARG  53           HD2      ARG  53  23.086  20.192 -19.852
  432    HD3  ARG  53           HD3      ARG  53  24.567  19.232 -19.642
  433    HE   ARG  53           HE       ARG  53  23.104  18.236 -21.873
  434   HH11  ARG  53          HH11      ARG  53  25.039  21.072 -20.966
  435   HH12  ARG  53          HH12      ARG  53  25.544  21.422 -22.576
  436   HH21  ARG  53          HH22      ARG  53  23.777  18.700 -24.023
  437   HH22  ARG  53          HH21      ARG  53  24.806  20.040 -24.352
  438    H    LYS  54           H        LYS  54  23.474  16.171 -15.509
  439    HA   LYS  54           HA       LYS  54  23.143  13.439 -16.538
  440    HB2  LYS  54           HB2      LYS  54  25.856  14.778 -16.062
  441    HB3  LYS  54           HB3      LYS  54  25.605  13.042 -16.275
  442    HG2  LYS  54           HG2      LYS  54  24.675  13.463 -18.554
  443    HG3  LYS  54           HG3      LYS  54  25.027  15.192 -18.359
  444    HD2  LYS  54           HD2      LYS  54  27.434  14.677 -18.073
  445    HD3  LYS  54           HD3      LYS  54  27.087  12.945 -18.276
  446    HE2  LYS  54           HE2      LYS  54  26.168  13.402 -20.543
  447    HE3  LYS  54           HE3      LYS  54  26.524  15.123 -20.342
  448    HZ1  LYS  54           HZ1      LYS  54  28.250  14.002 -21.599
  449    HZ2  LYS  54           HZ2      LYS  54  28.880  14.550 -20.201
  450    HZ3  LYS  54           HZ3      LYS  54  28.549  12.958 -20.386
  451    H    THR  55           H        THR  55  23.990  11.924 -14.767
  452    HA   THR  55           HA       THR  55  23.718  11.160 -12.669
  453    HB   THR  55           HB       THR  55  24.520  13.902 -11.617
  454    HG1  THR  55           HG1      THR  55  25.967  13.276 -13.234
  455   HG21  THR  55          HG21      THR  55  24.094  12.445  -9.751
  456   HG22  THR  55          HG22      THR  55  24.894  11.069 -10.554
  457   HG23  THR  55          HG23      THR  55  25.832  12.461  -9.974
  458    H    SER  56           H        SER  56  22.489  12.094 -10.363
  459    HA   SER  56           HA       SER  56  19.771  12.842 -11.312
  460    HB2  SER  56           HB2      SER  56  20.534  10.897  -9.107
  461    HB3  SER  56           HB3      SER  56  18.908  11.218  -9.738
  462    HG   SER  56           HG       SER  56  19.853   9.317 -10.625
  463    H    THR  57           H        THR  57  22.009  14.544 -10.133
  464    HA   THR  57           HA       THR  57  20.968  15.545  -7.610
  465    HB   THR  57           HB       THR  57  22.700  17.396  -8.300
  466    HG1  THR  57           HG1      THR  57  22.950  16.912 -10.426
  467   HG21  THR  57          HG21      THR  57  23.136  15.668  -6.592
  468   HG22  THR  57          HG22      THR  57  23.608  14.514  -7.857
  469   HG23  THR  57          HG23      THR  57  24.575  15.979  -7.574
  470    H    ILE  58           H        ILE  58  20.879  18.293  -8.013
  471    HA   ILE  58           HA       ILE  58  18.521  18.676  -9.795
  472    HB   ILE  58           HB       ILE  58  18.779  19.255  -6.829
  473   HG12  ILE  58          HG12      ILE  58  18.078  16.926  -7.381
  474   HG13  ILE  58          HG13      ILE  58  16.895  17.834  -6.463
  475   HG21  ILE  58          HG21      ILE  58  16.481  20.230  -6.945
  476   HG22  ILE  58          HG22      ILE  58  17.707  21.195  -7.761
  477   HG23  ILE  58          HG23      ILE  58  16.606  20.200  -8.724
  478   HD11  ILE  58          HD11      ILE  58  15.488  18.122  -8.434
  479   HD12  ILE  58          HD12      ILE  58  16.723  17.371  -9.470
  480   HD13  ILE  58          HD13      ILE  58  15.894  16.414  -8.233
  481    H    GLU  59           H        GLU  59  18.392  20.636 -10.643
  482    HA   GLU  59           HA       GLU  59  20.427  22.716 -10.053
  483    HB2  GLU  59           HB2      GLU  59  18.932  22.273 -12.660
  484    HB3  GLU  59           HB3      GLU  59  20.153  23.503 -12.337
  485    HG2  GLU  59           HG2      GLU  59  20.543  20.507 -12.380
  486    HG3  GLU  59           HG3      GLU  59  21.056  21.598 -13.661
  487    H    GLU  60           H        GLU  60  19.335  24.891  -9.871
  488    HA   GLU  60           HA       GLU  60  16.379  24.671  -9.444
  489    HB2  GLU  60           HB2      GLU  60  18.501  25.929  -7.668
  490    HB3  GLU  60           HB3      GLU  60  16.759  26.186  -7.488
  491    HG2  GLU  60           HG2      GLU  60  16.418  23.749  -7.231
  492    HG3  GLU  60           HG3      GLU  60  18.163  23.493  -7.345
  493    H    LYS  61           H        LYS  61  15.251  26.068 -10.608
  494    HA   LYS  61           HA       LYS  61  16.449  28.745 -11.246
  495    HB2  LYS  61           HB2      LYS  61  16.719  27.165 -13.130
  496    HB3  LYS  61           HB3      LYS  61  14.982  26.832 -13.120
  497    HG2  LYS  61           HG2      LYS  61  14.477  29.109 -13.821
  498    HG3  LYS  61           HG3      LYS  61  16.154  29.612 -13.553
  499    HD2  LYS  61           HD2      LYS  61  15.764  29.342 -15.933
  500    HD3  LYS  61           HD3      LYS  61  16.923  28.137 -15.368
  501    HE2  LYS  61           HE2      LYS  61  15.068  26.442 -15.276
  502    HE3  LYS  61           HE3      LYS  61  13.952  27.662 -15.905
  503    HZ1  LYS  61           HZ1      LYS  61  14.818  26.210 -17.652
  504    HZ2  LYS  61           HZ2      LYS  61  15.297  27.747 -17.929
  505    HZ3  LYS  61           HZ3      LYS  61  16.353  26.651 -17.331
  506    H    THR  62           H        THR  62  15.033  30.410 -10.787
  507    HA   THR  62           HA       THR  62  12.474  29.748  -9.593
  508    HB   THR  62           HB       THR  62  13.605  32.496 -10.248
  509    HG1  THR  62           HG1      THR  62  14.910  32.313  -8.574
  510   HG21  THR  62          HG21      THR  62  11.837  31.416  -7.999
  511   HG22  THR  62          HG22      THR  62  12.388  33.103  -8.174
  512   HG23  THR  62          HG23      THR  62  11.287  32.398  -9.374
  513    H    VAL  63           H        VAL  63  10.467  29.806 -10.578
  514    HA   VAL  63           HA       VAL  63  10.312  30.902 -13.332
  515    HB   VAL  63           HB       VAL  63   9.232  28.817 -14.014
  516   HG11  VAL  63          HG11      VAL  63  11.202  27.431 -14.311
  517   HG12  VAL  63          HG12      VAL  63  11.607  29.127 -14.555
  518   HG13  VAL  63          HG13      VAL  63  12.072  28.314 -13.048
  519   HG21  VAL  63          HG21      VAL  63  10.281  27.598 -11.422
  520   HG22  VAL  63          HG22      VAL  63   8.568  27.930 -11.765
  521   HG23  VAL  63          HG23      VAL  63   9.449  26.748 -12.725
  522    H    GLU  64           H        GLU  64   8.231  31.042 -14.157
  523    HA   GLU  64           HA       GLU  64   5.969  31.086 -12.197
  524    HB2  GLU  64           HB2      GLU  64   6.465  33.318 -13.160
  525    HB3  GLU  64           HB3      GLU  64   6.351  32.653 -14.791
  526    HG2  GLU  64           HG2      GLU  64   3.982  32.121 -14.457
  527    HG3  GLU  64           HG3      GLU  64   4.085  32.559 -12.751
  528    H    VAL  65           H        VAL  65   4.584  29.411 -12.546
  529    HA   VAL  65           HA       VAL  65   4.754  27.897 -15.092
  530    HB   VAL  65           HB       VAL  65   3.474  26.210 -14.218
  531   HG11  VAL  65          HG11      VAL  65   5.206  27.060 -11.864
  532   HG12  VAL  65          HG12      VAL  65   4.683  25.416 -12.274
  533   HG13  VAL  65          HG13      VAL  65   5.800  26.274 -13.346
  534   HG21  VAL  65          HG21      VAL  65   2.348  26.132 -12.053
  535   HG22  VAL  65          HG22      VAL  65   2.683  27.857 -11.825
  536   HG23  VAL  65          HG23      VAL  65   1.638  27.304 -13.158
  537    H    LEU  66           H        LEU  66   3.160  27.980 -16.622
  538    HA   LEU  66           HA       LEU  66   1.249  30.240 -16.328
  539    HB2  LEU  66           HB2      LEU  66   2.053  28.594 -18.759
  540    HB3  LEU  66           HB3      LEU  66   0.919  29.926 -18.759
  541    HG   LEU  66           HG       LEU  66   2.898  30.789 -19.623
  542   HD11  LEU  66          HD11      LEU  66   1.787  32.270 -17.948
  543   HD12  LEU  66          HD12      LEU  66   2.940  31.700 -16.716
  544   HD13  LEU  66          HD13      LEU  66   3.520  32.591 -18.134
  545   HD21  LEU  66          HD21      LEU  66   4.451  29.014 -18.781
  546   HD22  LEU  66          HD22      LEU  66   5.092  30.664 -18.711
  547   HD23  LEU  66          HD23      LEU  66   4.537  29.885 -17.230
  548    H    GLY  67           H        GLY  67   1.261  26.745 -16.247
  549    HA2  GLY  67           HA2      GLY  67  -1.189  26.187 -15.350
  550    HA3  GLY  67           HA3      GLY  67  -1.497  26.404 -17.084
  551    H    MET  68           H        MET  68  -1.948  23.952 -16.136
  552    HA   MET  68           HA       MET  68   0.318  22.155 -16.450
  553    HB2  MET  68           HB2      MET  68  -2.676  21.683 -16.599
  554    HB3  MET  68           HB3      MET  68  -1.457  20.418 -16.845
  555    HG2  MET  68           HG2      MET  68  -0.478  20.923 -14.612
  556    HG3  MET  68           HG3      MET  68  -1.729  22.131 -14.353
  557    HE1  MET  68           HE1      MET  68  -0.673  18.500 -13.844
  558    HE2  MET  68           HE2      MET  68  -2.146  17.559 -14.169
  559    HE3  MET  68           HE3      MET  68  -1.306  18.391 -15.501
  560    H    ALA  69           H        ALA  69   0.772  20.861 -18.254
  561    HA   ALA  69           HA       ALA  69   0.636  22.154 -20.836
  562    HB1  ALA  69           HB1      ALA  69   1.790  20.142 -21.605
  563    HB2  ALA  69           HB2      ALA  69   2.469  20.607 -20.043
  564    HB3  ALA  69           HB3      ALA  69   1.294  19.263 -20.156
  565    HA   PRO  70           HA       PRO  70  -3.139  20.425 -22.580
  566    HB2  PRO  70           HB2      PRO  70  -1.375  19.044 -24.616
  567    HB3  PRO  70           HB3      PRO  70  -2.898  19.953 -24.882
  568    HG2  PRO  70           HG2      PRO  70  -0.520  21.134 -25.393
  569    HG3  PRO  70           HG3      PRO  70  -1.791  22.048 -24.514
  570    HD2  PRO  70           HD2      PRO  70   0.610  20.603 -23.386
  571    HD3  PRO  70           HD3      PRO  70  -0.024  22.225 -22.967
  572    H    ASP  71           H        ASP  71  -4.346  18.475 -22.717
  573    HA   ASP  71           HA       ASP  71  -3.659  16.342 -21.035
  574    HB2  ASP  71           HB2      ASP  71  -5.621  15.314 -21.698
  575    HB3  ASP  71           HB3      ASP  71  -5.975  17.026 -21.890
  576    H    ASP  72           H        ASP  72  -2.959  16.838 -24.463
  577    HA   ASP  72           HA       ASP  72  -2.355  14.185 -25.221
  578    HB2  ASP  72           HB2      ASP  72  -2.612  16.008 -26.834
  579    HB3  ASP  72           HB3      ASP  72  -1.183  16.819 -26.186
  580    H    GLU  73           H        GLU  73  -0.475  16.516 -23.368
  581    HA   GLU  73           HA       GLU  73   1.932  14.753 -23.428
  582    HB2  GLU  73           HB2      GLU  73   1.488  17.543 -22.277
  583    HB3  GLU  73           HB3      GLU  73   2.976  16.595 -22.116
  584    HG2  GLU  73           HG2      GLU  73   3.080  16.446 -24.642
  585    HG3  GLU  73           HG3      GLU  73   1.722  17.569 -24.719
  586    H    CYS  74           H        CYS  74  -0.633  16.044 -21.278
  587    HA   CYS  74           HA       CYS  74   0.454  14.836 -18.954
  588    HB2  CYS  74           HB2      CYS  74  -2.359  15.859 -19.408
  589    HB3  CYS  74           HB3      CYS  74  -1.641  15.414 -17.851
  590    HG   CYS  74           HG       CYS  74  -0.854  17.800 -19.973
  591    H    LEU  75           H        LEU  75  -0.484  13.132 -21.431
  592    HA   LEU  75           HA       LEU  75  -1.945  10.942 -20.105
  593    HB2  LEU  75           HB2      LEU  75  -0.831  11.496 -22.869
  594    HB3  LEU  75           HB3      LEU  75  -1.170   9.834 -22.415
  595    HG   LEU  75           HG       LEU  75  -3.292  11.985 -22.147
  596   HD11  LEU  75          HD11      LEU  75  -2.532  11.943 -24.481
  597   HD12  LEU  75          HD12      LEU  75  -2.767  10.181 -24.542
  598   HD13  LEU  75          HD13      LEU  75  -4.160  11.269 -24.324
  599   HD21  LEU  75          HD21      LEU  75  -4.833  10.077 -22.235
  600   HD22  LEU  75          HD22      LEU  75  -3.468   8.956 -22.427
  601   HD23  LEU  75          HD23      LEU  75  -3.686   9.852 -20.913
  602    H    LYS  76           H        LYS  76   1.357  12.002 -20.482
  603    HA   LYS  76           HA       LYS  76   2.372   9.230 -20.004
  604    HB2  LYS  76           HB2      LYS  76   3.749  11.623 -21.287
  605    HB3  LYS  76           HB3      LYS  76   4.417  10.006 -21.095
  606    HG2  LYS  76           HG2      LYS  76   3.575   9.434 -23.078
  607    HG3  LYS  76           HG3      LYS  76   1.949   9.572 -22.404
  608    HD2  LYS  76           HD2      LYS  76   1.863  11.960 -23.073
  609    HD3  LYS  76           HD3      LYS  76   3.510  11.828 -23.735
  610    HE2  LYS  76           HE2      LYS  76   2.719  10.025 -25.279
  611    HE3  LYS  76           HE3      LYS  76   1.079  10.217 -24.647
  612    HZ1  LYS  76           HZ1      LYS  76   1.105  12.506 -25.472
  613    HZ2  LYS  76           HZ2      LYS  76   2.611  12.298 -26.097
  614    HZ3  LYS  76           HZ3      LYS  76   1.357  11.442 -26.691
  615    H    ASP  77           H        ASP  77   2.456  12.533 -18.733
  616    HA   ASP  77           HA       ASP  77   3.482  11.628 -16.202
  617    HB2  ASP  77           HB2      ASP  77   5.571  12.137 -17.816
  618    HB3  ASP  77           HB3      ASP  77   5.156  13.810 -17.462
  619    H    MET  78           H        MET  78   3.559  13.875 -14.806
  620    HA   MET  78           HA       MET  78   1.251  15.553 -15.739
  621    HB2  MET  78           HB2      MET  78   2.724  15.431 -13.076
  622    HB3  MET  78           HB3      MET  78   1.518  16.656 -13.494
  623    HG2  MET  78           HG2      MET  78   1.036  13.662 -13.357
  624    HG3  MET  78           HG3      MET  78   0.551  14.851 -12.159
  625    HE1  MET  78           HE1      MET  78  -0.752  12.540 -14.582
  626    HE2  MET  78           HE2      MET  78  -1.796  13.400 -15.729
  627    HE3  MET  78           HE3      MET  78  -0.036  13.538 -15.868
  628    H    TYR  79           H        TYR  79   1.712  17.501 -16.733
  629    HA   TYR  79           HA       TYR  79   4.505  18.526 -16.587
  630    HB2  TYR  79           HB2      TYR  79   2.740  18.076 -19.023
  631    HB3  TYR  79           HB3      TYR  79   4.176  19.079 -19.049
  632    HD1  TYR  79           HD1      TYR  79   6.453  18.037 -18.674
  633    HD2  TYR  79           HD2      TYR  79   2.882  15.733 -19.400
  634    HE1  TYR  79           HE1      TYR  79   7.839  16.156 -19.497
  635    HE2  TYR  79           HE2      TYR  79   4.245  13.870 -20.262
  636    HH   TYR  79           HH       TYR  79   6.409  13.087 -20.704
  637    H    VAL  80           H        VAL  80   4.728  20.729 -17.080
  638    HA   VAL  80           HA       VAL  80   2.298  22.426 -17.009
  639    HB   VAL  80           HB       VAL  80   3.539  23.830 -15.280
  640   HG11  VAL  80          HG11      VAL  80   2.500  21.119 -14.368
  641   HG12  VAL  80          HG12      VAL  80   2.678  22.579 -13.365
  642   HG13  VAL  80          HG13      VAL  80   1.533  22.578 -14.701
  643   HG21  VAL  80          HG21      VAL  80   5.047  21.225 -14.718
  644   HG22  VAL  80          HG22      VAL  80   5.763  22.711 -15.382
  645   HG23  VAL  80          HG23      VAL  80   5.092  22.712 -13.747
  646    H    GLU  81           H        GLU  81   2.538  24.376 -18.005
  647    HA   GLU  81           HA       GLU  81   4.895  24.766 -19.750
  648    HB2  GLU  81           HB2      GLU  81   2.284  26.308 -19.369
  649    HB3  GLU  81           HB3      GLU  81   3.596  26.800 -20.456
  650    HG2  GLU  81           HG2      GLU  81   3.366  24.607 -21.659
  651    HG3  GLU  81           HG3      GLU  81   1.975  24.221 -20.644
  652    H    VAL  82           H        VAL  82   6.467  26.287 -19.180
  653    HA   VAL  82           HA       VAL  82   6.112  27.843 -16.681
  654    HB   VAL  82           HB       VAL  82   6.677  25.556 -16.047
  655   HG11  VAL  82          HG11      VAL  82   8.849  24.533 -16.608
  656   HG12  VAL  82          HG12      VAL  82   7.818  24.696 -18.030
  657   HG13  VAL  82          HG13      VAL  82   9.174  25.820 -17.771
  658   HG21  VAL  82          HG21      VAL  82   8.600  25.938 -14.684
  659   HG22  VAL  82          HG22      VAL  82   9.099  27.318 -15.683
  660   HG23  VAL  82          HG23      VAL  82   7.591  27.397 -14.721
  661    H    ALA  83           H        ALA  83   7.555  29.577 -16.438
  662    HA   ALA  83           HA       ALA  83   9.369  30.152 -18.738
  663    HB1  ALA  83           HB1      ALA  83   7.264  31.975 -17.488
  664    HB2  ALA  83           HB2      ALA  83   8.524  32.503 -18.623
  665    HB3  ALA  83           HB3      ALA  83   7.291  31.353 -19.160
  666    H    ASP  84           H        ASP  84  11.202  31.229 -18.187
  667    HA   ASP  84           HA       ASP  84  12.062  30.985 -15.406
  668    HB2  ASP  84           HB2      ASP  84  13.625  30.330 -17.109
  669    HB3  ASP  84           HB3      ASP  84  13.366  31.832 -18.000
  670    H    ILE  85           H        ILE  85  11.726  32.478 -13.920
  671    HA   ILE  85           HA       ILE  85  11.149  35.277 -14.592
  672    HB   ILE  85           HB       ILE  85  11.542  33.918 -11.907
  673   HG12  ILE  85          HG12      ILE  85   8.915  34.628 -13.306
  674   HG13  ILE  85          HG13      ILE  85   9.577  33.008 -13.190
  675   HG21  ILE  85          HG21      ILE  85  10.190  36.575 -12.544
  676   HG22  ILE  85          HG22      ILE  85  10.422  35.872 -10.929
  677   HG23  ILE  85          HG23      ILE  85  11.814  36.418 -11.826
  678   HD11  ILE  85          HD11      ILE  85   8.590  34.715 -10.869
  679   HD12  ILE  85          HD12      ILE  85   7.910  33.217 -11.468
  680   HD13  ILE  85          HD13      ILE  85   9.490  33.188 -10.672
  681    H    GLY  86           H        GLY  86  13.921  33.240 -13.775
  682    HA2  GLY  86           HA2      GLY  86  15.573  35.033 -12.385
  683    HA3  GLY  86           HA3      GLY  86  16.088  33.633 -13.342
  684    H    GLY  87           H        GLY  87  15.194  34.534 -15.952
  685    HA2  GLY  87           HA2      GLY  87  16.356  37.217 -16.372
  686    HA3  GLY  87           HA3      GLY  87  17.260  35.833 -17.002
  687    H    LYS  88           H        LYS  88  14.852  34.269 -17.915
  688    HA   LYS  88           HA       LYS  88  14.953  35.499 -20.522
  689    HB2  LYS  88           HB2      LYS  88  13.008  33.321 -19.675
  690    HB3  LYS  88           HB3      LYS  88  13.445  33.796 -21.298
  691    HG2  LYS  88           HG2      LYS  88  15.064  32.167 -19.351
  692    HG3  LYS  88           HG3      LYS  88  14.507  31.784 -20.950
  693    HD2  LYS  88           HD2      LYS  88  16.761  32.043 -21.288
  694    HD3  LYS  88           HD3      LYS  88  16.143  33.604 -21.797
  695    HE2  LYS  88           HE2      LYS  88  18.217  33.789 -20.483
  696    HE3  LYS  88           HE3      LYS  88  16.894  34.627 -19.691
  697    HZ1  LYS  88           HZ1      LYS  88  16.704  32.771 -18.125
  698    HZ2  LYS  88           HZ2      LYS  88  17.851  31.917 -18.943
  699    HZ3  LYS  88           HZ3      LYS  88  18.255  33.283 -18.163
  700    H    ASP  89           H        ASP  89  12.318  35.182 -18.151
  701    HA   ASP  89           HA       ASP  89  10.441  36.219 -17.717
  702    HB2  ASP  89           HB2      ASP  89  11.969  38.078 -17.360
  703    HB3  ASP  89           HB3      ASP  89  11.768  38.598 -19.033
  704    H    ASP  90           H        ASP  90  11.175  36.238 -21.133
  705    HA   ASP  90           HA       ASP  90   8.290  36.496 -21.833
  706    HB2  ASP  90           HB2      ASP  90   9.604  38.624 -22.051
  707    HB3  ASP  90           HB3      ASP  90  10.684  37.797 -23.176
  708    H    ASP  91           H        ASP  91  10.191  34.159 -21.585
  709    HA   ASP  91           HA       ASP  91   9.463  32.919 -24.145
  710    HB2  ASP  91           HB2      ASP  91  11.874  33.513 -24.399
  711    HB3  ASP  91           HB3      ASP  91  12.233  32.584 -22.937
  712    H    VAL  92           H        VAL  92   9.255  30.556 -23.880
  713    HA   VAL  92           HA       VAL  92   8.765  29.749 -21.069
  714    HB   VAL  92           HB       VAL  92   6.833  30.940 -22.095
  715   HG11  VAL  92          HG11      VAL  92   7.068  30.248 -24.451
  716   HG12  VAL  92          HG12      VAL  92   6.606  28.589 -24.010
  717   HG13  VAL  92          HG13      VAL  92   5.451  29.922 -23.819
  718   HG21  VAL  92          HG21      VAL  92   6.435  29.304 -20.311
  719   HG22  VAL  92          HG22      VAL  92   5.080  29.416 -21.436
  720   HG23  VAL  92          HG23      VAL  92   6.179  28.029 -21.524
  721    H    TYR  93           H        TYR  93   8.405  27.561 -20.796
  722    HA   TYR  93           HA       TYR  93   9.389  25.610 -22.810
  723    HB2  TYR  93           HB2      TYR  93  10.247  25.838 -19.889
  724    HB3  TYR  93           HB3      TYR  93  10.826  24.660 -21.048
  725    HD1  TYR  93           HD1      TYR  93  12.395  25.312 -22.869
  726    HD2  TYR  93           HD2      TYR  93  11.170  28.084 -19.796
  727    HE1  TYR  93           HE1      TYR  93  14.344  26.748 -23.395
  728    HE2  TYR  93           HE2      TYR  93  13.112  29.532 -20.316
  729    HH   TYR  93           HH       TYR  93  15.036  29.792 -21.624
  730    H    THR  94           H        THR  94   9.233  23.375 -21.456
  731    HA   THR  94           HA       THR  94   6.762  23.285 -19.817
  732    HB   THR  94           HB       THR  94   7.326  21.085 -21.817
  733    HG1  THR  94           HG1      THR  94   6.978  22.975 -23.008
  734   HG21  THR  94          HG21      THR  94   4.957  20.568 -21.499
  735   HG22  THR  94          HG22      THR  94   5.771  20.613 -19.928
  736   HG23  THR  94          HG23      THR  94   4.754  21.980 -20.440
  737    H    ALA  95           H        ALA  95   6.966  21.937 -18.066
  738    HA   ALA  95           HA       ALA  95   9.462  20.328 -17.753
  739    HB1  ALA  95           HB1      ALA  95   9.605  21.176 -15.418
  740    HB2  ALA  95           HB2      ALA  95   9.768  22.490 -16.595
  741    HB3  ALA  95           HB3      ALA  95   8.235  22.259 -15.722
  742    H    LYS  96           H        LYS  96   9.208  18.746 -15.955
  743    HA   LYS  96           HA       LYS  96   6.512  17.540 -15.928
  744    HB2  LYS  96           HB2      LYS  96   8.924  16.678 -14.274
  745    HB3  LYS  96           HB3      LYS  96   7.432  15.817 -14.557
  746    HG2  LYS  96           HG2      LYS  96   8.890  14.656 -15.880
  747    HG3  LYS  96           HG3      LYS  96   8.077  15.696 -17.034
  748    HD2  LYS  96           HD2      LYS  96  10.495  15.473 -17.476
  749    HD3  LYS  96           HD3      LYS  96  10.074  17.152 -17.151
  750    HE2  LYS  96           HE2      LYS  96  10.863  16.873 -14.791
  751    HE3  LYS  96           HE3      LYS  96  11.273  15.191 -15.123
  752    HZ1  LYS  96           HZ1      LYS  96  13.117  16.851 -15.191
  753    HZ2  LYS  96           HZ2      LYS  96  13.021  15.895 -16.534
  754    HZ3  LYS  96           HZ3      LYS  96  12.511  17.451 -16.584
  755    H    LEU  97           H        LEU  97   5.164  17.774 -14.135
  756    HA   LEU  97           HA       LEU  97   5.592  19.828 -12.195
  757    HB2  LEU  97           HB2      LEU  97   3.364  18.807 -12.845
  758    HB3  LEU  97           HB3      LEU  97   3.829  17.353 -11.955
  759    HG   LEU  97           HG       LEU  97   3.964  18.708  -9.845
  760   HD11  LEU  97          HD11      LEU  97   4.446  20.946 -10.706
  761   HD12  LEU  97          HD12      LEU  97   2.940  20.950 -11.651
  762   HD13  LEU  97          HD13      LEU  97   2.892  21.001  -9.885
  763   HD21  LEU  97          HD21      LEU  97   1.906  17.503 -10.459
  764   HD22  LEU  97          HD22      LEU  97   1.542  18.990  -9.574
  765   HD23  LEU  97          HD23      LEU  97   1.322  18.936 -11.338
  766    H    SER  98           H        SER  98   6.474  16.414 -12.369
  767    HA   SER  98           HA       SER  98   7.319  15.783  -9.817
  768    HB2  SER  98           HB2      SER  98   8.638  15.106 -12.479
  769    HB3  SER  98           HB3      SER  98   8.651  14.118 -11.016
  770    HG   SER  98           HG       SER  98   6.973  13.665 -12.743
  771    H    ASP  99           H        ASP  99   8.830  18.031 -12.041
  772    HA   ASP  99           HA       ASP  99  11.321  18.177 -10.393
  773    HB2  ASP  99           HB2      ASP  99  10.750  18.545 -13.329
  774    HB3  ASP  99           HB3      ASP  99  11.974  19.561 -12.608
  775    H    ILE 100           H        ILE 100   8.437  19.534 -10.156
  776    HA   ILE 100           HA       ILE 100   9.470  22.311  -9.813
  777    HB   ILE 100           HB       ILE 100   6.923  21.231 -10.980
  778   HG12  ILE 100          HG12      ILE 100   9.037  22.188 -12.188
  779   HG13  ILE 100          HG13      ILE 100   7.411  22.522 -12.792
  780   HG21  ILE 100          HG21      ILE 100   5.943  22.584  -9.243
  781   HG22  ILE 100          HG22      ILE 100   6.987  23.965  -9.643
  782   HG23  ILE 100          HG23      ILE 100   5.760  23.397 -10.795
  783   HD11  ILE 100          HD11      ILE 100   8.982  24.434 -12.859
  784   HD12  ILE 100          HD12      ILE 100   7.481  24.767 -11.982
  785   HD13  ILE 100          HD13      ILE 100   8.986  24.459 -11.080
  786    H    GLU 101           H        GLU 101   8.802  23.397  -8.095
  787    HA   GLU 101           HA       GLU 101   7.054  22.126  -6.105
  788    HB2  GLU 101           HB2      GLU 101   9.344  21.612  -5.304
  789    HB3  GLU 101           HB3      GLU 101   9.792  23.312  -5.447
  790    HG2  GLU 101           HG2      GLU 101   9.266  22.695  -3.109
  791    HG3  GLU 101           HG3      GLU 101   8.185  23.941  -3.703
  792    H    ALA 102           H        ALA 102   5.722  23.714  -5.167
  793    HA   ALA 102           HA       ALA 102   5.644  26.186  -6.794
  794    HB1  ALA 102           HB1      ALA 102   3.596  24.940  -6.688
  795    HB2  ALA 102           HB2      ALA 102   3.649  24.893  -4.900
  796    HB3  ALA 102           HB3      ALA 102   3.413  26.428  -5.770
  797    H    ILE 103           H        ILE 103   5.450  28.217  -5.903
  798    HA   ILE 103           HA       ILE 103   6.318  28.577  -3.065
  799    HB   ILE 103           HB       ILE 103   6.968  30.162  -5.573
  800   HG12  ILE 103          HG12      ILE 103   8.880  28.710  -3.678
  801   HG13  ILE 103          HG13      ILE 103   8.279  27.987  -5.158
  802   HG21  ILE 103          HG21      ILE 103   7.808  30.721  -2.696
  803   HG22  ILE 103          HG22      ILE 103   8.337  31.622  -4.136
  804   HG23  ILE 103          HG23      ILE 103   6.651  31.684  -3.644
  805   HD11  ILE 103          HD11      ILE 103   9.250  29.917  -6.461
  806   HD12  ILE 103          HD12      ILE 103  10.059  30.434  -4.960
  807   HD13  ILE 103          HD13      ILE 103  10.416  28.852  -5.666
  808    H    ASP 104           H        ASP 104   5.017  29.797  -1.854
  809    HA   ASP 104           HA       ASP 104   3.206  30.853  -1.103
  810    HB2  ASP 104           HB2      ASP 104   4.717  32.627  -1.928
  811    HB3  ASP 104           HB3      ASP 104   3.799  32.696  -3.432
  812    H    VAL 105           H        VAL 105   2.408  28.677  -2.832
  813    HA   VAL 105           HA       VAL 105  -0.034  29.622  -4.202
  814    HB   VAL 105           HB       VAL 105  -0.383  27.175  -4.582
  815   HG11  VAL 105          HG11      VAL 105   2.182  28.382  -5.633
  816   HG12  VAL 105          HG12      VAL 105   1.280  27.018  -6.347
  817   HG13  VAL 105          HG13      VAL 105   0.532  28.615  -6.246
  818   HG21  VAL 105          HG21      VAL 105   1.377  25.556  -4.230
  819   HG22  VAL 105          HG22      VAL 105   2.444  26.776  -3.506
  820   HG23  VAL 105          HG23      VAL 105   0.948  26.281  -2.686
  821    H    ASP 106           H        ASP 106  -2.047  28.237  -3.690
  822    HA   ASP 106           HA       ASP 106  -2.849  28.548  -0.942
  823    HB2  ASP 106           HB2      ASP 106  -4.388  28.447  -3.014
  824    HB3  ASP 106           HB3      ASP 106  -4.102  26.694  -2.972
  825    H    ASP 107           H        ASP 107  -3.673  26.634   0.247
  826    HA   ASP 107           HA       ASP 107  -1.459  24.854   0.886
  827    HB2  ASP 107           HB2      ASP 107  -2.936  25.688   2.646
  828    HB3  ASP 107           HB3      ASP 107  -4.344  24.985   1.846
  829    H    ASP 108           H        ASP 108  -4.643  24.574  -0.805
  830    HA   ASP 108           HA       ASP 108  -4.484  21.713  -0.973
  831    HB2  ASP 108           HB2      ASP 108  -6.539  23.252  -1.062
  832    HB3  ASP 108           HB3      ASP 108  -6.126  23.537  -2.755
  833    H    THR 109           H        THR 109  -3.200  24.320  -2.953
  834    HA   THR 109           HA       THR 109  -2.634  22.715  -5.349
  835    HB   THR 109           HB       THR 109  -1.673  25.405  -4.292
  836    HG1  THR 109           HG1      THR 109  -3.923  25.107  -4.936
  837   HG21  THR 109          HG21      THR 109  -0.023  24.509  -5.952
  838   HG22  THR 109          HG22      THR 109  -1.347  24.325  -7.119
  839   HG23  THR 109          HG23      THR 109  -0.904  25.925  -6.545
  840    H    GLN 110           H        GLN 110  -0.786  23.891  -2.420
  841    HA   GLN 110           HA       GLN 110   1.604  22.563  -3.219
  842    HB2  GLN 110           HB2      GLN 110   1.123  24.398  -1.355
  843    HB3  GLN 110           HB3      GLN 110   0.956  22.999  -0.299
  844    HG2  GLN 110           HG2      GLN 110   3.367  23.706  -2.049
  845    HG3  GLN 110           HG3      GLN 110   3.262  23.941  -0.308
  846   HE21  GLN 110          HE22      GLN 110   4.651  21.900  -2.571
  847   HE22  GLN 110          HE21      GLN 110   4.533  20.380  -1.716
  848    H    GLU 111           H        GLU 111  -1.165  21.487  -1.157
  849    HA   GLU 111           HA       GLU 111  -0.116  18.969  -0.454
  850    HB2  GLU 111           HB2      GLU 111  -2.948  19.984  -0.862
  851    HB3  GLU 111           HB3      GLU 111  -2.636  18.320  -0.380
  852    HG2  GLU 111           HG2      GLU 111  -1.564  20.702   1.176
  853    HG3  GLU 111           HG3      GLU 111  -3.128  19.955   1.493
  854    H    ALA 112           H        ALA 112  -1.976  19.881  -3.425
  855    HA   ALA 112           HA       ALA 112  -2.085  17.229  -4.460
  856    HB1  ALA 112           HB1      ALA 112  -2.491  18.361  -6.627
  857    HB2  ALA 112           HB2      ALA 112  -3.457  19.063  -5.312
  858    HB3  ALA 112           HB3      ALA 112  -2.011  19.913  -5.900
  859    H    ILE 113           H        ILE 113   0.412  19.788  -4.750
  860    HA   ILE 113           HA       ILE 113   2.047  18.376  -6.637
  861    HB   ILE 113           HB       ILE 113   2.573  20.635  -4.685
  862   HG12  ILE 113          HG12      ILE 113   2.431  20.726  -7.721
  863   HG13  ILE 113          HG13      ILE 113   0.978  20.838  -6.745
  864   HG21  ILE 113          HG21      ILE 113   4.458  19.544  -6.819
  865   HG22  ILE 113          HG22      ILE 113   4.675  21.085  -5.959
  866   HG23  ILE 113          HG23      ILE 113   4.728  19.577  -5.060
  867   HD11  ILE 113          HD11      ILE 113   1.686  23.059  -7.280
  868   HD12  ILE 113          HD12      ILE 113   1.878  22.786  -5.543
  869   HD13  ILE 113          HD13      ILE 113   3.306  22.751  -6.614
  870    H    ALA 114           H        ALA 114   2.258  18.671  -3.034
  871    HA   ALA 114           HA       ALA 114   4.493  16.979  -2.696
  872    HB1  ALA 114           HB1      ALA 114   3.674  16.759  -0.368
  873    HB2  ALA 114           HB2      ALA 114   3.621  18.446  -0.915
  874    HB3  ALA 114           HB3      ALA 114   2.124  17.490  -0.837
  875    H    ASP 115           H        ASP 115   0.981  16.267  -2.748
  876    HA   ASP 115           HA       ASP 115   1.170  13.515  -2.177
  877    HB2  ASP 115           HB2      ASP 115  -0.891  14.910  -2.079
  878    HB3  ASP 115           HB3      ASP 115  -0.974  14.857  -3.848
  879    H    TRP 116           H        TRP 116   1.277  15.242  -5.290
  880    HA   TRP 116           HA       TRP 116   1.442  12.896  -6.964
  881    HB2  TRP 116           HB2      TRP 116   0.873  14.985  -8.013
  882    HB3  TRP 116           HB3      TRP 116   2.307  15.784  -7.376
  883    HD1  TRP 116           HD1      TRP 116   4.478  15.674  -8.777
  884    HE1  TRP 116           HE1      TRP 116   5.268  14.464 -10.906
  885    HE3  TRP 116           HE3      TRP 116   0.390  12.715  -9.599
  886    HZ2  TRP 116           HZ2      TRP 116   4.295  12.392 -12.650
  887    HZ3  TRP 116           HZ3      TRP 116   0.324  11.161 -11.522
  888    HH2  TRP 116           HH2      TRP 116   2.296  10.958 -13.038
  889    H    LEU 117           H        LEU 117   3.892  14.963  -5.298
  890    HA   LEU 117           HA       LEU 117   6.123  13.703  -6.506
  891    HB2  LEU 117           HB2      LEU 117   5.817  15.310  -3.961
  892    HB3  LEU 117           HB3      LEU 117   7.370  14.659  -4.462
  893    HG   LEU 117           HG       LEU 117   5.711  16.429  -6.307
  894   HD11  LEU 117          HD11      LEU 117   7.905  17.270  -4.367
  895   HD12  LEU 117          HD12      LEU 117   7.138  18.304  -5.596
  896   HD13  LEU 117          HD13      LEU 117   6.179  17.680  -4.249
  897   HD21  LEU 117          HD21      LEU 117   7.874  16.835  -7.409
  898   HD22  LEU 117          HD22      LEU 117   8.671  15.708  -6.291
  899   HD23  LEU 117          HD23      LEU 117   7.457  15.121  -7.446
  900    H    TYR 118           H        TYR 118   4.259  12.773  -3.575
  901    HA   TYR 118           HA       TYR 118   6.075  10.681  -2.802
  902    HB2  TYR 118           HB2      TYR 118   3.054  10.858  -2.473
  903    HB3  TYR 118           HB3      TYR 118   4.080   9.705  -1.656
  904    HD1  TYR 118           HD1      TYR 118   6.384  11.315  -0.677
  905    HD2  TYR 118           HD2      TYR 118   2.198  12.293  -0.896
  906    HE1  TYR 118           HE1      TYR 118   6.683  12.961   1.122
  907    HE2  TYR 118           HE2      TYR 118   2.487  14.030   0.811
  908    HH   TYR 118           HH       TYR 118   3.992  15.048   2.311
  909    H    TRP 119           H        TRP 119   3.159  10.659  -4.909
  910    HA   TRP 119           HA       TRP 119   3.224   7.890  -5.566
  911    HB2  TRP 119           HB2      TRP 119   1.245   9.065  -5.920
  912    HB3  TRP 119           HB3      TRP 119   2.038  10.427  -6.672
  913    HD1  TRP 119           HD1      TRP 119   2.590  10.372  -9.209
  914    HE1  TRP 119           HE1      TRP 119   1.497   9.150 -11.134
  915    HE3  TRP 119           HE3      TRP 119   0.413   6.522  -6.600
  916    HZ2  TRP 119           HZ2      TRP 119  -0.176   6.817 -11.526
  917    HZ3  TRP 119           HZ3      TRP 119  -0.952   4.830  -7.787
  918    HH2  TRP 119           HH2      TRP 119  -1.273   4.970 -10.247
  919    H    LEU 120           H        LEU 120   4.721  10.749  -7.133
  920    HA   LEU 120           HA       LEU 120   5.944   9.529  -9.335
  921    HB2  LEU 120           HB2      LEU 120   5.547  11.899  -8.939
  922    HB3  LEU 120           HB3      LEU 120   6.647  11.908  -7.580
  923    HG   LEU 120           HG       LEU 120   7.385  13.014  -9.629
  924   HD11  LEU 120          HD11      LEU 120   9.329  10.836  -8.809
  925   HD12  LEU 120          HD12      LEU 120   9.689  12.424  -9.516
  926   HD13  LEU 120          HD13      LEU 120   9.002  12.328  -7.891
  927   HD21  LEU 120          HD21      LEU 120   6.523  11.313 -11.233
  928   HD22  LEU 120          HD22      LEU 120   8.200  11.801 -11.540
  929   HD23  LEU 120          HD23      LEU 120   7.875  10.242 -10.756
  930    H    ALA 121           H        ALA 121   7.307  10.214  -6.045
  931    HA   ALA 121           HA       ALA 121   9.798   8.945  -6.458
  932    HB1  ALA 121           HB1      ALA 121   9.364  10.507  -4.615
  933    HB2  ALA 121           HB2      ALA 121   8.201   9.377  -3.891
  934    HB3  ALA 121           HB3      ALA 121   9.922   8.950  -3.972
  935    H    ARG 122           H        ARG 122   6.640   7.579  -5.590
  936    HA   ARG 122           HA       ARG 122   7.620   5.033  -4.751
  937    HB2  ARG 122           HB2      ARG 122   5.041   6.379  -5.101
  938    HB3  ARG 122           HB3      ARG 122   4.926   4.773  -5.759
  939    HG2  ARG 122           HG2      ARG 122   5.881   5.493  -2.959
  940    HG3  ARG 122           HG3      ARG 122   4.271   4.906  -3.383
  941    HD2  ARG 122           HD2      ARG 122   6.893   3.366  -3.578
  942    HD3  ARG 122           HD3      ARG 122   5.595   3.086  -2.432
  943    HE   ARG 122           HE       ARG 122   5.743   2.318  -5.259
  944   HH11  ARG 122          HH11      ARG 122   3.503   2.742  -2.480
  945   HH12  ARG 122          HH12      ARG 122   2.323   1.633  -3.148
  946   HH21  ARG 122          HH21      ARG 122   4.121   0.860  -6.061
  947   HH22  ARG 122          HH22      ARG 122   2.664   0.613  -5.164
  948    H    GLY 123           H        GLY 123   7.743   6.282  -7.912
  949    HA2  GLY 123           HA2      GLY 123   8.301   5.240  -9.875
  950    HA3  GLY 123           HA3      GLY 123   8.490   3.718  -8.986
  951    H    TYR 124           H        TYR 124   5.588   5.712  -9.121
  952    HA   TYR 124           HA       TYR 124   3.612   4.000  -9.293
  953    HB2  TYR 124           HB2      TYR 124   2.280   5.681 -10.325
  954    HB3  TYR 124           HB3      TYR 124   3.325   6.382  -9.111
  955    HD1  TYR 124           HD2      TYR 124   5.687   7.375 -10.128
  956    HD2  TYR 124           HD1      TYR 124   2.014   6.879 -12.347
  957    HE1  TYR 124           HE2      TYR 124   6.520   8.898 -11.860
  958    HE2  TYR 124           HE1      TYR 124   2.830   8.472 -14.031
  959    HH   TYR 124           HH       TYR 124   6.050  10.015 -13.869
  960    H    LYS 125           H        LYS 125   4.647   5.368 -12.286
  961    HA   LYS 125           HA       LYS 125   4.411   4.858 -14.477
  962    HB2  LYS 125           HB2      LYS 125   4.958   2.078 -13.446
  963    HB3  LYS 125           HB3      LYS 125   4.920   2.512 -15.169
  964    HG2  LYS 125           HG2      LYS 125   6.740   4.149 -14.812
  965    HG3  LYS 125           HG3      LYS 125   6.771   3.764 -13.095
  966    HD2  LYS 125           HD2      LYS 125   8.609   2.613 -14.167
  967    HD3  LYS 125           HD3      LYS 125   7.435   1.444 -13.578
  968    HE2  LYS 125           HE2      LYS 125   8.199   0.709 -15.728
  969    HE3  LYS 125           HE3      LYS 125   6.515   1.203 -15.890
  970    HZ1  LYS 125           HZ1      LYS 125   7.887   2.024 -17.706
  971    HZ2  LYS 125           HZ2      LYS 125   7.306   3.294 -16.869
  972    HZ3  LYS 125           HZ3      LYS 125   8.866   2.831 -16.689
  973    H    PHE 126           H        PHE 126   2.161   5.068 -12.844
  974    HA   PHE 126           HA       PHE 126  -0.098   4.878 -12.775
  975    HB2  PHE 126           HB2      PHE 126   0.321   4.602 -15.756
  976    HB3  PHE 126           HB3      PHE 126  -1.224   4.940 -14.993
  977    HD1  PHE 126           HD1      PHE 126  -1.319   7.104 -13.463
  978    HD2  PHE 126           HD2      PHE 126   1.623   6.390 -16.530
  979    HE1  PHE 126           HE1      PHE 126  -0.898   9.547 -13.637
  980    HE2  PHE 126           HE2      PHE 126   1.947   8.834 -16.784
  981    HZ   PHE 126           HZ       PHE 126   0.705  10.420 -15.324
  Start of MODEL    6
    1    H1   MET   1           H1       MET   1   9.304  -1.561   2.437
    2    H2   MET   1           H2       MET   1   8.994  -3.099   1.949
    3    H3   MET   1           H3       MET   1   9.236  -1.914   0.844
    4    HA   MET   1           HA       MET   1   6.915  -2.415   0.961
    5    HB2  MET   1           HB2      MET   1   6.953  -3.231   3.323
    6    HB3  MET   1           HB3      MET   1   7.148  -1.566   3.884
    7    HG2  MET   1           HG2      MET   1   4.951  -0.989   2.830
    8    HG3  MET   1           HG3      MET   1   4.802  -2.657   2.275
    9    HE1  MET   1           HE1      MET   1   4.331  -1.150   6.632
   10    HE2  MET   1           HE2      MET   1   5.892  -1.024   5.796
   11    HE3  MET   1           HE3      MET   1   4.483  -0.125   5.188
   12    H    ALA   2           H        ALA   2   5.950  -0.758  -0.146
   13    HA   ALA   2           HA       ALA   2   6.926   1.907  -0.219
   14    HB1  ALA   2           HB1      ALA   2   4.835   2.392  -1.403
   15    HB2  ALA   2           HB2      ALA   2   5.596   0.918  -2.027
   16    HB3  ALA   2           HB3      ALA   2   4.178   0.809  -0.952
   17    H    SER   3           H        SER   3   6.839   3.388   1.346
   18    HA   SER   3           HA       SER   3   4.561   3.541   3.256
   19    HB2  SER   3           HB2      SER   3   7.518   3.512   4.015
   20    HB3  SER   3           HB3      SER   3   6.134   3.595   5.116
   21    HG   SER   3           HG       SER   3   6.968   1.435   3.473
   22    H    VAL   4           H        VAL   4   5.175   5.177   0.933
   23    HA   VAL   4           HA       VAL   4   6.876   7.329   1.478
   24    HB   VAL   4           HB       VAL   4   5.770   8.354  -0.489
   25   HG11  VAL   4          HG11      VAL   4   6.500   5.427  -0.842
   26   HG12  VAL   4          HG12      VAL   4   6.557   6.701  -2.081
   27   HG13  VAL   4          HG13      VAL   4   7.644   6.777  -0.688
   28   HG21  VAL   4          HG21      VAL   4   4.122   7.119  -1.805
   29   HG22  VAL   4          HG22      VAL   4   3.986   5.880  -0.549
   30   HG23  VAL   4          HG23      VAL   4   3.444   7.543  -0.230
   31    H    GLU   5           H        GLU   5   3.477   6.943   2.343
   32    HA   GLU   5           HA       GLU   5   3.740   8.991   4.288
   33    HB2  GLU   5           HB2      GLU   5   3.170  10.353   2.164
   34    HB3  GLU   5           HB3      GLU   5   1.601   9.567   2.192
   35    HG2  GLU   5           HG2      GLU   5   1.813  10.468   4.815
   36    HG3  GLU   5           HG3      GLU   5   2.779  11.674   3.977
   37    H    ARG   6           H        ARG   6   0.479   8.900   3.683
   38    HA   ARG   6           HA       ARG   6  -0.162   6.571   5.361
   39    HB2  ARG   6           HB2      ARG   6  -1.897   8.650   3.943
   40    HB3  ARG   6           HB3      ARG   6  -2.488   7.417   5.062
   41    HG2  ARG   6           HG2      ARG   6  -1.314   8.435   6.928
   42    HG3  ARG   6           HG3      ARG   6  -0.502   9.591   5.857
   43    HD2  ARG   6           HD2      ARG   6  -2.768  10.459   5.153
   44    HD3  ARG   6           HD3      ARG   6  -3.499   9.399   6.360
   45    HE   ARG   6           HE       ARG   6  -2.801  10.787   8.056
   46   HH11  ARG   6          HH11      ARG   6  -1.155  11.812   5.053
   47   HH12  ARG   6          HH12      ARG   6  -0.762  13.382   5.669
   48   HH21  ARG   6          HH21      ARG   6  -2.180  12.838   8.874
   49   HH22  ARG   6          HH22      ARG   6  -1.302  13.950   7.896
   50    H    ASP   7           H        ASP   7   1.214   5.912   3.261
   51    HA   ASP   7           HA       ASP   7   0.768   5.601   0.755
   52    HB2  ASP   7           HB2      ASP   7   2.558   4.429   1.887
   53    HB3  ASP   7           HB3      ASP   7   1.427   3.219   2.506
   54    H    GLU   8           H        GLU   8  -0.949   3.217   2.794
   55    HA   GLU   8           HA       GLU   8  -2.265   2.225   0.448
   56    HB2  GLU   8           HB2      GLU   8  -3.386   0.642   1.863
   57    HB3  GLU   8           HB3      GLU   8  -1.671   0.736   2.253
   58    HG2  GLU   8           HG2      GLU   8  -2.222   2.186   4.229
   59    HG3  GLU   8           HG3      GLU   8  -3.937   2.022   3.849
   60    H    THR   9           H        THR   9  -3.243   4.565   2.889
   61    HA   THR   9           HA       THR   9  -6.024   4.698   1.992
   62    HB   THR   9           HB       THR   9  -4.334   6.698   3.526
   63    HG1  THR   9           HG1      THR   9  -4.573   4.669   4.584
   64   HG21  THR   9          HG21      THR   9  -6.351   7.761   2.612
   65   HG22  THR   9          HG22      THR   9  -7.362   6.442   3.240
   66   HG23  THR   9          HG23      THR   9  -6.523   7.544   4.358
   67    H    ARG  10           H        ARG  10  -2.866   6.171   1.155
   68    HA   ARG  10           HA       ARG  10  -4.055   8.239  -0.506
   69    HB2  ARG  10           HB2      ARG  10  -1.214   7.131  -0.324
   70    HB3  ARG  10           HB3      ARG  10  -1.675   8.428  -1.419
   71    HG2  ARG  10           HG2      ARG  10  -1.950   8.547   1.612
   72    HG3  ARG  10           HG3      ARG  10  -0.629   9.243   0.667
   73    HD2  ARG  10           HD2      ARG  10  -2.367  10.604  -0.592
   74    HD3  ARG  10           HD3      ARG  10  -3.566  10.063   0.603
   75    HE   ARG  10           HE       ARG  10  -1.419  11.096   2.078
   76   HH11  ARG  10          HH11      ARG  10  -3.833  12.405  -0.206
   77   HH12  ARG  10          HH12      ARG  10  -3.550  14.046   0.268
   78   HH21  ARG  10          HH21      ARG  10  -0.930  13.260   2.500
   79   HH22  ARG  10          HH22      ARG  10  -1.939  14.554   1.868
   80    H    GLU  11           H        GLU  11  -2.512   5.034  -1.258
   81    HA   GLU  11           HA       GLU  11  -3.016   5.346  -4.039
   82    HB2  GLU  11           HB2      GLU  11  -2.278   3.201  -4.354
   83    HB3  GLU  11           HB3      GLU  11  -1.394   3.755  -2.926
   84    HG2  GLU  11           HG2      GLU  11  -2.986   2.511  -1.500
   85    HG3  GLU  11           HG3      GLU  11  -3.808   1.905  -2.940
   86    H    HIS  12           H        HIS  12  -5.082   4.034  -1.415
   87    HA   HIS  12           HA       HIS  12  -7.157   3.136  -3.160
   88    HB2  HIS  12           HB2      HIS  12  -6.979   2.420  -0.833
   89    HB3  HIS  12           HB3      HIS  12  -7.261   4.072  -0.274
   90    HD1  HIS  12           HD1      HIS  12  -9.375   2.081  -2.925
   91    HD2  HIS  12           HD2      HIS  12  -9.582   3.968   0.853
   92    HE1  HIS  12           HE1      HIS  12 -11.822   2.076  -2.242
   93    H    ARG  13           H        ARG  13  -6.537   6.404  -1.666
   94    HA   ARG  13           HA       ARG  13  -8.994   7.442  -2.837
   95    HB2  ARG  13           HB2      ARG  13  -6.618   8.791  -1.526
   96    HB3  ARG  13           HB3      ARG  13  -7.972   9.699  -2.215
   97    HG2  ARG  13           HG2      ARG  13  -8.316   7.519  -0.115
   98    HG3  ARG  13           HG3      ARG  13  -8.148   9.225   0.279
   99    HD2  ARG  13           HD2      ARG  13 -10.229   9.806  -0.636
  100    HD3  ARG  13           HD3      ARG  13 -10.343   8.378  -1.646
  101    HE   ARG  13           HE       ARG  13 -10.849   8.557   1.259
  102   HH11  ARG  13          HH21      ARG  13 -11.069   6.533  -1.710
  103   HH12  ARG  13          HH22      ARG  13 -11.529   5.123  -0.825
  104   HH21  ARG  13          HH11      ARG  13 -11.742   6.722   2.315
  105   HH22  ARG  13          HH12      ARG  13 -12.129   5.299   1.423
  106    H    ILE  14           H        ILE  14  -5.619   7.287  -3.970
  107    HA   ILE  14           HA       ILE  14  -6.021   8.809  -6.346
  108    HB   ILE  14           HB       ILE  14  -4.243   6.480  -5.576
  109   HG12  ILE  14          HG12      ILE  14  -3.388   9.258  -6.401
  110   HG13  ILE  14          HG13      ILE  14  -3.986   8.978  -4.770
  111   HG21  ILE  14          HG21      ILE  14  -4.239   7.857  -8.288
  112   HG22  ILE  14          HG22      ILE  14  -2.978   6.758  -7.688
  113   HG23  ILE  14          HG23      ILE  14  -4.609   6.145  -7.957
  114   HD11  ILE  14          HD11      ILE  14  -2.205   7.360  -4.336
  115   HD12  ILE  14          HD12      ILE  14  -1.611   7.540  -5.997
  116   HD13  ILE  14          HD13      ILE  14  -1.539   8.904  -4.865
  117    H    GLU  15           H        GLU  15  -6.492   5.309  -5.676
  118    HA   GLU  15           HA       GLU  15  -7.497   4.551  -8.134
  119    HB2  GLU  15           HB2      GLU  15  -6.779   2.933  -6.553
  120    HB3  GLU  15           HB3      GLU  15  -7.831   3.561  -5.300
  121    HG2  GLU  15           HG2      GLU  15  -9.821   2.692  -6.534
  122    HG3  GLU  15           HG3      GLU  15  -8.713   1.945  -7.695
  123    H    THR  16           H        THR  16  -9.273   6.112  -5.447
  124    HA   THR  16           HA       THR  16 -11.831   5.626  -6.860
  125    HB   THR  16           HB       THR  16 -12.818   6.221  -4.617
  126    HG1  THR  16           HG1      THR  16 -10.172   5.758  -3.701
  127   HG21  THR  16          HG21      THR  16 -12.363   4.041  -3.657
  128   HG22  THR  16          HG22      THR  16 -12.510   3.883  -5.412
  129   HG23  THR  16          HG23      THR  16 -10.901   3.847  -4.656
  130    H    GLU  17           H        GLU  17  -9.694   8.268  -6.362
  131    HA   GLU  17           HA       GLU  17 -11.874  10.166  -7.114
  132    HB2  GLU  17           HB2      GLU  17  -9.478  10.725  -5.331
  133    HB3  GLU  17           HB3      GLU  17 -10.750  11.848  -5.740
  134    HG2  GLU  17           HG2      GLU  17 -11.073   9.318  -4.070
  135    HG3  GLU  17           HG3      GLU  17 -11.003  10.965  -3.471
  136    H    ILE  18           H        ILE  18  -8.741   8.950  -8.063
  137    HA   ILE  18           HA       ILE  18  -8.309  11.389  -9.744
  138    HB   ILE  18           HB       ILE  18  -6.223   9.558  -8.512
  139   HG12  ILE  18          HG12      ILE  18  -7.261  12.315  -7.734
  140   HG13  ILE  18          HG13      ILE  18  -7.281  10.853  -6.757
  141   HG21  ILE  18          HG21      ILE  18  -5.884  12.159 -10.045
  142   HG22  ILE  18          HG22      ILE  18  -4.589  11.167  -9.338
  143   HG23  ILE  18          HG23      ILE  18  -5.523  10.544 -10.683
  144   HD11  ILE  18          HD11      ILE  18  -4.839  12.504  -7.475
  145   HD12  ILE  18          HD12      ILE  18  -5.595  12.294  -5.889
  146   HD13  ILE  18          HD13      ILE  18  -4.782  10.924  -6.664
  147    H    ILE  19           H        ILE  19  -7.755   7.788  -9.692
  148    HA   ILE  19           HA       ILE  19  -7.929   7.871 -12.673
  149    HB   ILE  19           HB       ILE  19  -6.624   5.869 -12.686
  150   HG12  ILE  19          HG12      ILE  19  -6.235   6.304  -9.694
  151   HG13  ILE  19          HG13      ILE  19  -7.274   5.050 -10.401
  152   HG21  ILE  19          HG21      ILE  19  -4.510   6.969 -12.318
  153   HG22  ILE  19          HG22      ILE  19  -5.658   8.172 -12.894
  154   HG23  ILE  19          HG23      ILE  19  -5.229   8.113 -11.169
  155   HD11  ILE  19          HD11      ILE  19  -5.297   4.198 -11.642
  156   HD12  ILE  19          HD12      ILE  19  -4.287   5.354 -10.732
  157   HD13  ILE  19          HD13      ILE  19  -5.162   4.071  -9.863
  158    H    VAL  20           H        VAL  20 -10.080   7.484 -10.375
  159    HA   VAL  20           HA       VAL  20 -11.217   4.963 -10.670
  160    HB   VAL  20           HB       VAL  20 -11.769   6.690  -9.014
  161   HG11  VAL  20          HG11      VAL  20 -13.398   8.445  -9.416
  162   HG12  VAL  20          HG12      VAL  20 -11.985   8.689 -10.447
  163   HG13  VAL  20          HG13      VAL  20 -13.486   8.025 -11.135
  164   HG21  VAL  20          HG21      VAL  20 -14.122   6.155  -8.745
  165   HG22  VAL  20          HG22      VAL  20 -14.233   5.639 -10.441
  166   HG23  VAL  20          HG23      VAL  20 -13.224   4.730  -9.293
  167    H    ASP  21           H        ASP  21 -11.434   7.740 -12.883
  168    HA   ASP  21           HA       ASP  21 -13.462   6.469 -14.572
  169    HB2  ASP  21           HB2      ASP  21 -13.409   8.907 -14.117
  170    HB3  ASP  21           HB3      ASP  21 -11.834   9.018 -14.904
  171    H    ALA  22           H        ALA  22 -10.115   6.058 -14.253
  172    HA   ALA  22           HA       ALA  22  -9.397   6.070 -17.087
  173    HB1  ALA  22           HB1      ALA  22  -7.184   5.539 -16.298
  174    HB2  ALA  22           HB2      ALA  22  -7.831   6.813 -15.257
  175    HB3  ALA  22           HB3      ALA  22  -7.779   5.123 -14.688
  176    H    GLU  23           H        GLU  23  -7.927   4.013 -17.661
  177    HA   GLU  23           HA       GLU  23  -9.230   1.469 -16.921
  178    HB2  GLU  23           HB2      GLU  23 -10.557   2.407 -18.805
  179    HB3  GLU  23           HB3      GLU  23  -9.094   2.491 -19.793
  180    HG2  GLU  23           HG2      GLU  23  -8.853   0.032 -19.672
  181    HG3  GLU  23           HG3      GLU  23 -10.243  -0.067 -18.588
  182    H    ASP  24           H        ASP  24  -6.692   3.157 -18.887
  183    HA   ASP  24           HA       ASP  24  -4.729   1.054 -18.180
  184    HB2  ASP  24           HB2      ASP  24  -5.853   0.682 -20.484
  185    HB3  ASP  24           HB3      ASP  24  -5.002   2.152 -20.979
  186    H    LYS  25           H        LYS  25  -2.539   1.932 -18.991
  187    HA   LYS  25           HA       LYS  25  -1.842   3.980 -17.302
  188    HB2  LYS  25           HB2      LYS  25   0.353   3.960 -18.360
  189    HB3  LYS  25           HB3      LYS  25  -0.310   2.364 -18.039
  190    HG2  LYS  25           HG2      LYS  25  -1.040   2.364 -20.562
  191    HG3  LYS  25           HG3      LYS  25  -0.016   3.787 -20.717
  192    HD2  LYS  25           HD2      LYS  25   1.238   1.826 -21.395
  193    HD3  LYS  25           HD3      LYS  25   1.928   2.478 -19.913
  194    HE2  LYS  25           HE2      LYS  25   1.896   0.085 -19.727
  195    HE3  LYS  25           HE3      LYS  25   0.717   0.733 -18.587
  196    HZ1  LYS  25           HZ1      LYS  25   0.023  -0.382 -21.247
  197    HZ2  LYS  25           HZ2      LYS  25  -0.081  -1.201 -19.845
  198    HZ3  LYS  25           HZ3      LYS  25  -1.056   0.078 -20.089
  199    H    GLU  26           H        GLU  26  -2.692   4.469 -20.743
  200    HA   GLU  26           HA       GLU  26  -1.778   7.223 -20.793
  201    HB2  GLU  26           HB2      GLU  26  -3.754   5.668 -22.526
  202    HB3  GLU  26           HB3      GLU  26  -3.238   7.325 -22.853
  203    HG2  GLU  26           HG2      GLU  26  -0.873   6.563 -22.999
  204    HG3  GLU  26           HG3      GLU  26  -1.388   4.901 -22.712
  205    H    GLU  27           H        GLU  27  -4.878   5.589 -20.143
  206    HA   GLU  27           HA       GLU  27  -6.403   8.032 -19.772
  207    HB2  GLU  27           HB2      GLU  27  -7.008   5.229 -18.755
  208    HB3  GLU  27           HB3      GLU  27  -8.144   6.560 -18.932
  209    HG2  GLU  27           HG2      GLU  27  -6.735   5.036 -21.161
  210    HG3  GLU  27           HG3      GLU  27  -8.434   4.936 -20.721
  211    H    ARG  28           H        ARG  28  -4.444   5.902 -17.683
  212    HA   ARG  28           HA       ARG  28  -5.358   7.070 -15.189
  213    HB2  ARG  28           HB2      ARG  28  -2.887   5.479 -15.949
  214    HB3  ARG  28           HB3      ARG  28  -3.284   5.914 -14.284
  215    HG2  ARG  28           HG2      ARG  28  -5.275   4.550 -14.294
  216    HG3  ARG  28           HG3      ARG  28  -5.210   4.337 -16.040
  217    HD2  ARG  28           HD2      ARG  28  -2.957   3.163 -15.678
  218    HD3  ARG  28           HD3      ARG  28  -3.403   3.083 -13.965
  219    HE   ARG  28           HE       ARG  28  -5.584   2.102 -15.461
  220   HH11  ARG  28          HH21      ARG  28  -2.194   1.168 -14.860
  221   HH12  ARG  28          HH22      ARG  28  -2.501  -0.526 -15.061
  222   HH21  ARG  28          HH11      ARG  28  -5.869  -0.114 -16.080
  223   HH22  ARG  28          HH12      ARG  28  -4.641  -1.268 -15.701
  224    H    ALA  29           H        ALA  29  -2.558   7.713 -17.382
  225    HA   ALA  29           HA       ALA  29  -1.462   9.861 -15.925
  226    HB1  ALA  29           HB1      ALA  29  -0.442   8.776 -17.948
  227    HB2  ALA  29           HB2      ALA  29  -1.656   9.579 -18.958
  228    HB3  ALA  29           HB3      ALA  29  -0.487  10.547 -18.050
  229    H    MET  30           H        MET  30  -4.175   9.827 -18.340
  230    HA   MET  30           HA       MET  30  -4.656  12.645 -18.156
  231    HB2  MET  30           HB2      MET  30  -6.468  10.358 -18.988
  232    HB3  MET  30           HB3      MET  30  -6.919  12.057 -19.077
  233    HG2  MET  30           HG2      MET  30  -4.569  10.788 -20.539
  234    HG3  MET  30           HG3      MET  30  -6.130  11.206 -21.226
  235    HE1  MET  30           HE1      MET  30  -2.525  13.949 -20.705
  236    HE2  MET  30           HE2      MET  30  -2.957  12.945 -19.317
  237    HE3  MET  30           HE3      MET  30  -2.580  12.184 -20.871
  238    H    GLY  31           H        GLY  31  -5.958   9.920 -16.217
  239    HA2  GLY  31           HA2      GLY  31  -7.842  11.350 -14.692
  240    HA3  GLY  31           HA3      GLY  31  -6.905   9.949 -14.136
  241    H    TRP  32           H        TRP  32  -4.334  10.785 -13.998
  242    HA   TRP  32           HA       TRP  32  -4.161  12.488 -11.724
  243    HB2  TRP  32           HB2      TRP  32  -2.165  11.454 -13.757
  244    HB3  TRP  32           HB3      TRP  32  -1.696  12.633 -12.547
  245    HD1  TRP  32           HD1      TRP  32  -2.382   8.950 -12.909
  246    HE1  TRP  32           HE1      TRP  32  -1.809   7.753 -10.731
  247    HE3  TRP  32           HE3      TRP  32  -1.885  13.041  -9.878
  248    HZ2  TRP  32           HZ2      TRP  32  -1.110   8.493  -8.012
  249    HZ3  TRP  32           HZ3      TRP  32  -1.278  12.763  -7.488
  250    HH2  TRP  32           HH2      TRP  32  -0.857  10.500  -6.559
  251    H    TYR  33           H        TYR  33  -3.606  13.196 -15.225
  252    HA   TYR  33           HA       TYR  33  -2.681  15.814 -14.889
  253    HB2  TYR  33           HB2      TYR  33  -2.505  14.642 -17.027
  254    HB3  TYR  33           HB3      TYR  33  -4.254  14.529 -17.155
  255    HD1  TYR  33           HD2      TYR  33  -1.374  16.857 -17.330
  256    HD2  TYR  33           HD1      TYR  33  -5.624  16.387 -17.864
  257    HE1  TYR  33           HE2      TYR  33  -1.472  19.047 -18.446
  258    HE2  TYR  33           HE1      TYR  33  -5.759  18.637 -18.870
  259    HH   TYR  33           HH       TYR  33  -2.802  20.581 -19.526
  260    H    TYR  34           H        TYR  34  -6.114  14.735 -15.471
  261    HA   TYR  34           HA       TYR  34  -6.979  17.485 -15.456
  262    HB2  TYR  34           HB2      TYR  34  -8.489  14.856 -15.455
  263    HB3  TYR  34           HB3      TYR  34  -9.282  16.426 -15.446
  264    HD1  TYR  34           HD2      TYR  34  -8.337  18.178 -17.283
  265    HD2  TYR  34           HD1      TYR  34  -8.124  13.881 -17.596
  266    HE1  TYR  34           HE2      TYR  34  -8.216  18.374 -19.739
  267    HE2  TYR  34           HE1      TYR  34  -7.946  14.070 -20.063
  268    HH   TYR  34           HH       TYR  34  -8.040  17.237 -21.763
  269    H    TYR  35           H        TYR  35  -6.763  14.943 -12.933
  270    HA   TYR  35           HA       TYR  35  -8.340  16.347 -11.000
  271    HB2  TYR  35           HB2      TYR  35  -7.651  13.972 -10.819
  272    HB3  TYR  35           HB3      TYR  35  -5.973  14.472 -10.625
  273    HD1  TYR  35           HD2      TYR  35  -9.376  14.614  -9.081
  274    HD2  TYR  35           HD1      TYR  35  -5.141  15.161  -8.474
  275    HE1  TYR  35           HE2      TYR  35  -9.756  14.817  -6.646
  276    HE2  TYR  35           HE1      TYR  35  -5.506  15.387  -6.043
  277    HH   TYR  35           HH       TYR  35  -7.074  15.375  -4.311
  278    H    LEU  36           H        LEU  36  -4.807  16.459 -11.799
  279    HA   LEU  36           HA       LEU  36  -4.168  18.407  -9.786
  280    HB2  LEU  36           HB2      LEU  36  -2.801  17.165 -12.144
  281    HB3  LEU  36           HB3      LEU  36  -2.283  18.787 -11.742
  282    HG   LEU  36           HG       LEU  36  -1.734  18.154  -9.450
  283   HD11  LEU  36          HD11      LEU  36  -2.643  15.354 -10.226
  284   HD12  LEU  36          HD12      LEU  36  -1.686  15.746  -8.778
  285   HD13  LEU  36          HD13      LEU  36  -3.316  16.395  -8.952
  286   HD21  LEU  36          HD21      LEU  36  -0.069  17.910 -11.287
  287   HD22  LEU  36          HD22      LEU  36   0.208  16.749  -9.975
  288   HD23  LEU  36          HD23      LEU  36  -0.553  16.213 -11.489
  289    H    ASP  37           H        ASP  37  -5.021  18.677 -13.296
  290    HA   ASP  37           HA       ASP  37  -4.764  21.485 -13.450
  291    HB2  ASP  37           HB2      ASP  37  -5.027  20.045 -15.422
  292    HB3  ASP  37           HB3      ASP  37  -6.659  19.608 -14.907
  293    H    ASP  38           H        ASP  38  -7.473  19.508 -12.193
  294    HA   ASP  38           HA       ASP  38  -9.243  21.796 -11.886
  295    HB2  ASP  38           HB2      ASP  38 -10.083  19.514 -12.253
  296    HB3  ASP  38           HB3      ASP  38  -9.338  18.977 -10.745
  297    H    THR  39           H        THR  39  -6.632  20.437  -9.987
  298    HA   THR  39           HA       THR  39  -7.779  21.471  -7.436
  299    HB   THR  39           HB       THR  39  -5.387  19.691  -8.059
  300    HG1  THR  39           HG1      THR  39  -7.184  18.595  -8.444
  301   HG21  THR  39          HG21      THR  39  -4.883  20.742  -5.976
  302   HG22  THR  39          HG22      THR  39  -6.558  20.637  -5.425
  303   HG23  THR  39          HG23      THR  39  -5.573  19.164  -5.557
  304    H    LEU  40           H        LEU  40  -4.845  21.829  -9.473
  305    HA   LEU  40           HA       LEU  40  -3.383  23.343  -7.557
  306    HB2  LEU  40           HB2      LEU  40  -3.129  23.082 -10.573
  307    HB3  LEU  40           HB3      LEU  40  -1.909  23.833  -9.554
  308    HG   LEU  40           HG       LEU  40  -2.771  20.931  -9.195
  309   HD11  LEU  40          HD11      LEU  40  -0.767  20.339 -10.557
  310   HD12  LEU  40          HD12      LEU  40  -1.934  21.270 -11.507
  311   HD13  LEU  40          HD13      LEU  40  -0.475  22.059 -10.877
  312   HD21  LEU  40          HD21      LEU  40  -0.249  22.339  -8.316
  313   HD22  LEU  40          HD22      LEU  40  -1.575  21.729  -7.283
  314   HD23  LEU  40          HD23      LEU  40  -0.588  20.599  -8.195
  315    H    GLU  41           H        GLU  41  -3.605  25.439  -7.002
  316    HA   GLU  41           HA       GLU  41  -5.391  27.228  -8.458
  317    HB2  GLU  41           HB2      GLU  41  -3.749  27.532  -5.907
  318    HB3  GLU  41           HB3      GLU  41  -4.813  28.783  -6.540
  319    HG2  GLU  41           HG2      GLU  41  -5.786  26.003  -5.768
  320    HG3  GLU  41           HG3      GLU  41  -5.807  27.408  -4.710
  321    H    PHE  42           H        PHE  42  -3.530  26.679 -10.279
  322    HA   PHE  42           HA       PHE  42  -1.279  28.490 -10.282
  323    HB2  PHE  42           HB2      PHE  42  -1.126  27.913 -12.679
  324    HB3  PHE  42           HB3      PHE  42  -1.180  26.522 -11.627
  325    HD1  PHE  42           HD2      PHE  42  -3.298  28.635 -13.913
  326    HD2  PHE  42           HD1      PHE  42  -2.735  24.795 -12.035
  327    HE1  PHE  42           HE2      PHE  42  -5.106  27.682 -15.315
  328    HE2  PHE  42           HE1      PHE  42  -4.549  23.847 -13.439
  329    HZ   PHE  42           HZ       PHE  42  -5.737  25.286 -15.080
  330    HA   PRO  43           HA       PRO  43  -0.225  29.811 -12.254
  331    HB2  PRO  43           HB2      PRO  43   0.574  32.420 -12.184
  332    HB3  PRO  43           HB3      PRO  43  -0.254  31.694 -13.592
  333    HG2  PRO  43           HG2      PRO  43  -1.488  33.350 -11.379
  334    HG3  PRO  43           HG3      PRO  43  -1.700  33.526 -13.151
  335    HD2  PRO  43           HD2      PRO  43  -3.498  32.173 -11.610
  336    HD3  PRO  43           HD3      PRO  43  -3.099  31.627 -13.265
  337    H    PHE  44           H        PHE  44   1.566  29.716 -10.807
  338    HA   PHE  44           HA       PHE  44   1.370  31.080  -8.223
  339    HB2  PHE  44           HB2      PHE  44   1.555  29.133  -6.843
  340    HB3  PHE  44           HB3      PHE  44   0.072  29.048  -7.762
  341    HD1  PHE  44           HD1      PHE  44   3.589  27.757  -7.686
  342    HD2  PHE  44           HD2      PHE  44  -0.468  26.985  -8.860
  343    HE1  PHE  44           HE1      PHE  44   4.235  25.474  -8.305
  344    HE2  PHE  44           HE2      PHE  44   0.175  24.680  -9.509
  345    HZ   PHE  44           HZ       PHE  44   2.522  23.910  -9.245
  346    H    MET  45           H        MET  45   3.463  30.782  -6.967
  347    HA   MET  45           HA       MET  45   5.689  30.783  -8.926
  348    HB2  MET  45           HB2      MET  45   5.408  32.683  -7.333
  349    HB3  MET  45           HB3      MET  45   5.502  31.559  -5.967
  350    HG2  MET  45           HG2      MET  45   7.817  30.951  -6.661
  351    HG3  MET  45           HG3      MET  45   7.710  32.124  -7.975
  352    HE1  MET  45           HE1      MET  45   9.962  33.250  -7.152
  353    HE2  MET  45           HE2      MET  45  10.302  33.585  -5.439
  354    HE3  MET  45           HE3      MET  45  10.008  31.913  -5.986
  355    H    GLY  46           H        GLY  46   7.479  29.298  -8.769
  356    HA2  GLY  46           HA2      GLY  46   7.605  27.523  -6.450
  357    HA3  GLY  46           HA3      GLY  46   7.234  26.721  -7.981
  358    H    LYS  47           H        LYS  47   9.423  25.977  -6.717
  359    HA   LYS  47           HA       LYS  47  11.670  27.201  -8.252
  360    HB2  LYS  47           HB2      LYS  47  11.843  26.702  -5.637
  361    HB3  LYS  47           HB3      LYS  47  11.949  25.025  -6.131
  362    HG2  LYS  47           HG2      LYS  47  14.193  25.707  -5.941
  363    HG3  LYS  47           HG3      LYS  47  13.892  25.741  -7.674
  364    HD2  LYS  47           HD2      LYS  47  15.112  27.730  -7.153
  365    HD3  LYS  47           HD3      LYS  47  13.463  28.254  -7.451
  366    HE2  LYS  47           HE2      LYS  47  13.017  28.499  -5.087
  367    HE3  LYS  47           HE3      LYS  47  14.532  27.694  -4.655
  368    HZ1  LYS  47           HZ1      LYS  47  15.756  29.543  -5.476
  369    HZ2  LYS  47           HZ2      LYS  47  14.455  30.252  -6.152
  370    HZ3  LYS  47           HZ3      LYS  47  14.597  30.163  -4.514
  371    H    TRP  48           H        TRP  48  12.317  26.079 -10.022
  372    HA   TRP  48           HA       TRP  48  11.216  23.384 -10.592
  373    HB2  TRP  48           HB2      TRP  48  11.261  25.166 -12.361
  374    HB3  TRP  48           HB3      TRP  48  13.001  25.247 -12.213
  375    HD1  TRP  48           HD1      TRP  48  12.251  21.698 -12.069
  376    HE1  TRP  48           HE1      TRP  48  12.471  20.544 -14.306
  377    HE3  TRP  48           HE3      TRP  48  12.319  25.840 -15.058
  378    HZ2  TRP  48           HZ2      TRP  48  12.672  21.316 -17.112
  379    HZ3  TRP  48           HZ3      TRP  48  12.508  25.603 -17.522
  380    HH2  TRP  48           HH2      TRP  48  12.676  23.349 -18.556
  381    H    LYS  49           H        LYS  49  12.353  21.841  -9.426
  382    HA   LYS  49           HA       LYS  49  15.244  22.116  -8.906
  383    HB2  LYS  49           HB2      LYS  49  12.975  20.392  -7.816
  384    HB3  LYS  49           HB3      LYS  49  14.662  19.903  -7.631
  385    HG2  LYS  49           HG2      LYS  49  15.226  21.966  -6.494
  386    HG3  LYS  49           HG3      LYS  49  13.558  22.563  -6.660
  387    HD2  LYS  49           HD2      LYS  49  12.706  20.882  -5.189
  388    HD3  LYS  49           HD3      LYS  49  14.198  19.919  -5.281
  389    HE2  LYS  49           HE2      LYS  49  15.467  21.623  -4.114
  390    HE3  LYS  49           HE3      LYS  49  14.068  22.716  -4.090
  391    HZ1  LYS  49           HZ1      LYS  49  14.207  20.109  -2.688
  392    HZ2  LYS  49           HZ2      LYS  49  14.298  21.578  -1.983
  393    HZ3  LYS  49           HZ3      LYS  49  12.901  21.109  -2.701
  394    H    LYS  50           H        LYS  50  15.365  22.049 -11.309
  395    HA   LYS  50           HA       LYS  50  14.485  19.778 -12.825
  396    HB2  LYS  50           HB2      LYS  50  15.186  22.029 -13.750
  397    HB3  LYS  50           HB3      LYS  50  16.870  21.585 -13.450
  398    HG2  LYS  50           HG2      LYS  50  16.636  19.635 -14.967
  399    HG3  LYS  50           HG3      LYS  50  14.919  20.005 -15.196
  400    HD2  LYS  50           HD2      LYS  50  15.546  22.217 -16.179
  401    HD3  LYS  50           HD3      LYS  50  17.261  21.783 -16.019
  402    HE2  LYS  50           HE2      LYS  50  16.915  19.828 -17.509
  403    HE3  LYS  50           HE3      LYS  50  15.190  20.198 -17.614
  404    HZ1  LYS  50           HZ1      LYS  50  15.760  22.281 -18.716
  405    HZ2  LYS  50           HZ2      LYS  50  17.359  21.950 -18.627
  406    HZ3  LYS  50           HZ3      LYS  50  16.381  21.022 -19.539
  407    H    LYS  51           H        LYS  51  15.085  17.681 -12.394
  408    HA   LYS  51           HA       LYS  51  17.761  17.113 -11.299
  409    HB2  LYS  51           HB2      LYS  51  15.617  15.916 -10.609
  410    HB3  LYS  51           HB3      LYS  51  15.598  15.159 -12.206
  411    HG2  LYS  51           HG2      LYS  51  17.770  14.084 -11.757
  412    HG3  LYS  51           HG3      LYS  51  17.941  14.989 -10.249
  413    HD2  LYS  51           HD2      LYS  51  17.303  12.721  -9.749
  414    HD3  LYS  51           HD3      LYS  51  15.979  13.807  -9.305
  415    HE2  LYS  51           HE2      LYS  51  14.787  13.222 -11.404
  416    HE3  LYS  51           HE3      LYS  51  16.133  12.183 -11.891
  417    HZ1  LYS  51           HZ1      LYS  51  14.425  11.750  -9.506
  418    HZ2  LYS  51           HZ2      LYS  51  14.342  10.908 -10.898
  419    HZ3  LYS  51           HZ3      LYS  51  15.667  10.787  -9.961
  420    H    SER  52           H        SER  52  16.001  16.793 -14.378
  421    HA   SER  52           HA       SER  52  18.012  15.323 -15.750
  422    HB2  SER  52           HB2      SER  52  15.824  17.117 -16.875
  423    HB3  SER  52           HB3      SER  52  16.573  15.715 -17.666
  424    HG   SER  52           HG       SER  52  15.627  14.379 -16.153
  425    H    ARG  53           H        ARG  53  18.915  17.980 -14.430
  426    HA   ARG  53           HA       ARG  53  19.279  19.946 -16.460
  427    HB2  ARG  53           HB2      ARG  53  19.273  20.573 -14.112
  428    HB3  ARG  53           HB3      ARG  53  20.572  19.441 -13.741
  429    HG2  ARG  53           HG2      ARG  53  21.442  21.675 -13.747
  430    HG3  ARG  53           HG3      ARG  53  22.168  20.784 -15.052
  431    HD2  ARG  53           HD2      ARG  53  20.495  21.885 -16.641
  432    HD3  ARG  53           HD3      ARG  53  19.943  22.849 -15.267
  433    HE   ARG  53           HE       ARG  53  21.950  24.007 -15.193
  434   HH11  ARG  53          HH11      ARG  53  22.260  21.380 -17.614
  435   HH12  ARG  53          HH12      ARG  53  23.618  22.103 -18.399
  436   HH21  ARG  53          HH21      ARG  53  23.738  24.936 -16.259
  437   HH22  ARG  53          HH22      ARG  53  24.509  24.144 -17.581
  438    H    LYS  54           H        LYS  54  21.441  17.311 -15.316
  439    HA   LYS  54           HA       LYS  54  23.153  17.643 -17.649
  440    HB2  LYS  54           HB2      LYS  54  25.213  18.217 -16.362
  441    HB3  LYS  54           HB3      LYS  54  24.025  19.500 -16.479
  442    HG2  LYS  54           HG2      LYS  54  23.244  18.765 -14.105
  443    HG3  LYS  54           HG3      LYS  54  24.762  17.855 -14.041
  444    HD2  LYS  54           HD2      LYS  54  26.023  19.962 -14.405
  445    HD3  LYS  54           HD3      LYS  54  24.491  20.854 -14.537
  446    HE2  LYS  54           HE2      LYS  54  23.916  19.919 -12.202
  447    HE3  LYS  54           HE3      LYS  54  25.603  19.404 -12.101
  448    HZ1  LYS  54           HZ1      LYS  54  26.184  21.798 -12.472
  449    HZ2  LYS  54           HZ2      LYS  54  24.580  22.184 -12.349
  450    HZ3  LYS  54           HZ3      LYS  54  25.373  21.533 -11.082
  451    H    THR  55           H        THR  55  23.121  16.202 -14.290
  452    HA   THR  55           HA       THR  55  23.984  13.646 -15.536
  453    HB   THR  55           HB       THR  55  25.227  14.759 -13.005
  454    HG1  THR  55           HG1      THR  55  26.802  15.747 -14.167
  455   HG21  THR  55          HG21      THR  55  26.297  12.925 -15.212
  456   HG22  THR  55          HG22      THR  55  27.165  13.390 -13.731
  457   HG23  THR  55          HG23      THR  55  25.718  12.386 -13.624
  458    H    SER  56           H        SER  56  21.300  14.298 -14.675
  459    HA   SER  56           HA       SER  56  19.628  13.751 -13.262
  460    HB2  SER  56           HB2      SER  56  21.299  11.318 -12.545
  461    HB3  SER  56           HB3      SER  56  19.560  11.534 -12.299
  462    HG   SER  56           HG       SER  56  20.939  11.528 -14.794
  463    H    THR  57           H        THR  57  20.786  15.769 -12.377
  464    HA   THR  57           HA       THR  57  21.530  15.507  -9.512
  465    HB   THR  57           HB       THR  57  23.177  17.448 -10.216
  466    HG1  THR  57           HG1      THR  57  22.488  17.580 -12.350
  467   HG21  THR  57          HG21      THR  57  24.990  15.844 -10.727
  468   HG22  THR  57          HG22      THR  57  24.006  15.337  -9.342
  469   HG23  THR  57          HG23      THR  57  23.783  14.552 -10.915
  470    H    ILE  58           H        ILE  58  20.477  17.077  -8.284
  471    HA   ILE  58           HA       ILE  58  18.390  18.618  -9.572
  472    HB   ILE  58           HB       ILE  58  19.438  18.709  -6.723
  473   HG12  ILE  58          HG12      ILE  58  18.528  16.485  -7.264
  474   HG13  ILE  58          HG13      ILE  58  17.561  17.330  -6.073
  475   HG21  ILE  58          HG21      ILE  58  16.957  19.957  -7.967
  476   HG22  ILE  58          HG22      ILE  58  17.165  19.744  -6.209
  477   HG23  ILE  58          HG23      ILE  58  18.274  20.772  -7.112
  478   HD11  ILE  58          HD11      ILE  58  15.837  17.832  -7.744
  479   HD12  ILE  58          HD12      ILE  58  16.842  17.124  -9.026
  480   HD13  ILE  58          HD13      ILE  58  16.193  16.099  -7.735
  481    H    GLU  59           H        GLU  59  18.420  20.649 -10.212
  482    HA   GLU  59           HA       GLU  59  20.393  22.559  -9.186
  483    HB2  GLU  59           HB2      GLU  59  21.284  21.714 -11.376
  484    HB3  GLU  59           HB3      GLU  59  19.805  22.295 -12.171
  485    HG2  GLU  59           HG2      GLU  59  20.311  24.580 -11.621
  486    HG3  GLU  59           HG3      GLU  59  21.587  24.110 -10.492
  487    H    GLU  60           H        GLU  60  19.413  24.719  -9.222
  488    HA   GLU  60           HA       GLU  60  16.442  24.475  -9.115
  489    HB2  GLU  60           HB2      GLU  60  18.469  26.005  -7.447
  490    HB3  GLU  60           HB3      GLU  60  16.730  26.280  -7.361
  491    HG2  GLU  60           HG2      GLU  60  16.317  23.989  -6.675
  492    HG3  GLU  60           HG3      GLU  60  18.023  23.572  -6.851
  493    H    LYS  61           H        LYS  61  15.183  25.900 -10.225
  494    HA   LYS  61           HA       LYS  61  16.376  28.527 -11.045
  495    HB2  LYS  61           HB2      LYS  61  16.261  26.867 -12.969
  496    HB3  LYS  61           HB3      LYS  61  14.519  26.762 -12.709
  497    HG2  LYS  61           HG2      LYS  61  14.434  29.302 -13.094
  498    HG3  LYS  61           HG3      LYS  61  16.117  29.189 -13.612
  499    HD2  LYS  61           HD2      LYS  61  13.663  27.880 -14.847
  500    HD3  LYS  61           HD3      LYS  61  14.637  29.154 -15.557
  501    HE2  LYS  61           HE2      LYS  61  15.559  26.281 -15.039
  502    HE3  LYS  61           HE3      LYS  61  14.988  26.904 -16.582
  503    HZ1  LYS  61           HZ1      LYS  61  16.861  28.448 -16.607
  504    HZ2  LYS  61           HZ2      LYS  61  17.423  27.865 -15.185
  505    HZ3  LYS  61           HZ3      LYS  61  17.386  26.913 -16.505
  506    H    THR  62           H        THR  62  14.854  30.232 -10.653
  507    HA   THR  62           HA       THR  62  12.485  29.406  -9.052
  508    HB   THR  62           HB       THR  62  13.730  32.168  -9.361
  509    HG1  THR  62           HG1      THR  62  15.287  30.939  -8.425
  510   HG21  THR  62          HG21      THR  62  11.927  30.919  -7.234
  511   HG22  THR  62          HG22      THR  62  12.616  32.562  -7.191
  512   HG23  THR  62          HG23      THR  62  11.443  32.126  -8.445
  513    H    VAL  63           H        VAL  63  10.441  29.554  -9.939
  514    HA   VAL  63           HA       VAL  63  10.168  31.042 -12.490
  515    HB   VAL  63           HB       VAL  63   9.151  29.127 -13.558
  516   HG11  VAL  63          HG11      VAL  63  11.609  29.470 -13.826
  517   HG12  VAL  63          HG12      VAL  63  11.891  28.281 -12.538
  518   HG13  VAL  63          HG13      VAL  63  11.091  27.795 -14.045
  519   HG21  VAL  63          HG21      VAL  63   9.988  27.439 -11.157
  520   HG22  VAL  63          HG22      VAL  63   8.318  27.864 -11.584
  521   HG23  VAL  63          HG23      VAL  63   9.273  26.856 -12.674
  522    H    GLU  64           H        GLU  64   8.066  31.431 -13.125
  523    HA   GLU  64           HA       GLU  64   5.939  31.198 -11.029
  524    HB2  GLU  64           HB2      GLU  64   6.455  33.531 -11.753
  525    HB3  GLU  64           HB3      GLU  64   6.139  33.079 -13.430
  526    HG2  GLU  64           HG2      GLU  64   3.799  32.542 -12.881
  527    HG3  GLU  64           HG3      GLU  64   4.111  32.800 -11.163
  528    H    VAL  65           H        VAL  65   4.548  29.534 -11.478
  529    HA   VAL  65           HA       VAL  65   4.611  28.294 -14.148
  530    HB   VAL  65           HB       VAL  65   3.533  26.493 -13.365
  531   HG11  VAL  65          HG11      VAL  65   4.583  25.694 -11.351
  532   HG12  VAL  65          HG12      VAL  65   5.740  26.746 -12.181
  533   HG13  VAL  65          HG13      VAL  65   4.855  27.343 -10.762
  534   HG21  VAL  65          HG21      VAL  65   2.164  26.185 -11.422
  535   HG22  VAL  65          HG22      VAL  65   2.353  27.890 -10.977
  536   HG23  VAL  65          HG23      VAL  65   1.493  27.421 -12.469
  537    H    LEU  66           H        LEU  66   2.956  28.460 -15.628
  538    HA   LEU  66           HA       LEU  66   0.958  30.604 -15.058
  539    HB2  LEU  66           HB2      LEU  66   1.737  29.300 -17.696
  540    HB3  LEU  66           HB3      LEU  66   0.611  30.620 -17.472
  541    HG   LEU  66           HG       LEU  66   2.508  31.658 -18.260
  542   HD11  LEU  66          HD11      LEU  66   1.610  32.800 -16.229
  543   HD12  LEU  66          HD12      LEU  66   2.852  31.983 -15.248
  544   HD13  LEU  66          HD13      LEU  66   3.328  33.124 -16.517
  545   HD21  LEU  66          HD21      LEU  66   4.084  29.750 -17.964
  546   HD22  LEU  66          HD22      LEU  66   4.777  31.334 -17.577
  547   HD23  LEU  66          HD23      LEU  66   4.314  30.245 -16.270
  548    H    GLY  67           H        GLY  67   1.195  27.117 -15.579
  549    HA2  GLY  67           HA2      GLY  67  -1.210  26.358 -14.605
  550    HA3  GLY  67           HA3      GLY  67  -1.552  26.698 -16.316
  551    H    MET  68           H        MET  68  -1.931  24.225 -15.776
  552    HA   MET  68           HA       MET  68   0.349  22.441 -16.006
  553    HB2  MET  68           HB2      MET  68  -2.593  22.113 -16.741
  554    HB3  MET  68           HB3      MET  68  -1.398  20.828 -16.878
  555    HG2  MET  68           HG2      MET  68  -2.058  22.253 -14.277
  556    HG3  MET  68           HG3      MET  68  -2.801  20.748 -14.796
  557    HE1  MET  68           HE1      MET  68  -1.829  18.444 -14.685
  558    HE2  MET  68           HE2      MET  68  -0.576  18.828 -15.890
  559    HE3  MET  68           HE3      MET  68  -0.123  18.049 -14.359
  560    H    ALA  69           H        ALA  69   1.094  21.415 -17.901
  561    HA   ALA  69           HA       ALA  69   1.224  22.962 -20.354
  562    HB1  ALA  69           HB1      ALA  69   2.994  21.388 -19.558
  563    HB2  ALA  69           HB2      ALA  69   1.835  20.047 -19.734
  564    HB3  ALA  69           HB3      ALA  69   2.405  20.916 -21.159
  565    HA   PRO  70           HA       PRO  70  -2.463  21.279 -22.323
  566    HB2  PRO  70           HB2      PRO  70  -1.632  20.387 -24.812
  567    HB3  PRO  70           HB3      PRO  70  -1.949  22.099 -24.396
  568    HG2  PRO  70           HG2      PRO  70   0.706  20.643 -24.418
  569    HG3  PRO  70           HG3      PRO  70   0.321  22.252 -25.112
  570    HD2  PRO  70           HD2      PRO  70   1.518  22.038 -22.706
  571    HD3  PRO  70           HD3      PRO  70   0.237  23.253 -22.955
  572    H    ASP  71           H        ASP  71  -3.507  19.319 -22.457
  573    HA   ASP  71           HA       ASP  71  -2.421  17.157 -21.060
  574    HB2  ASP  71           HB2      ASP  71  -4.439  16.042 -21.422
  575    HB3  ASP  71           HB3      ASP  71  -4.880  17.740 -21.413
  576    H    ASP  72           H        ASP  72  -2.339  17.841 -24.500
  577    HA   ASP  72           HA       ASP  72  -1.820  15.271 -25.546
  578    HB2  ASP  72           HB2      ASP  72  -2.449  17.220 -26.905
  579    HB3  ASP  72           HB3      ASP  72  -0.927  18.019 -26.501
  580    H    GLU  73           H        GLU  73   0.283  17.421 -23.734
  581    HA   GLU  73           HA       GLU  73   2.701  15.865 -24.521
  582    HB2  GLU  73           HB2      GLU  73   2.367  18.449 -22.939
  583    HB3  GLU  73           HB3      GLU  73   3.900  17.601 -23.177
  584    HG2  GLU  73           HG2      GLU  73   3.522  17.761 -25.681
  585    HG3  GLU  73           HG3      GLU  73   2.148  18.817 -25.351
  586    H    CYS  74           H        CYS  74   0.208  15.686 -22.235
  587    HA   CYS  74           HA       CYS  74   2.014  14.878 -20.030
  588    HB2  CYS  74           HB2      CYS  74  -0.902  15.727 -19.975
  589    HB3  CYS  74           HB3      CYS  74   0.099  15.306 -18.574
  590    HG   CYS  74           HG       CYS  74   0.434  17.773 -20.763
  591    H    LEU  75           H        LEU  75   1.284  13.097 -22.320
  592    HA   LEU  75           HA       LEU  75  -0.624  11.144 -21.330
  593    HB2  LEU  75           HB2      LEU  75   1.187  11.429 -23.724
  594    HB3  LEU  75           HB3      LEU  75   0.756   9.801 -23.269
  595    HG   LEU  75           HG       LEU  75  -0.695  10.645 -24.992
  596   HD11  LEU  75          HD11      LEU  75  -2.284  10.261 -22.415
  597   HD12  LEU  75          HD12      LEU  75  -2.826   9.962 -24.074
  598   HD13  LEU  75          HD13      LEU  75  -1.542   8.965 -23.377
  599   HD21  LEU  75          HD21      LEU  75  -1.744  12.686 -22.996
  600   HD22  LEU  75          HD22      LEU  75  -0.719  13.040 -24.397
  601   HD23  LEU  75          HD23      LEU  75  -2.349  12.394 -24.637
  602    H    LYS  76           H        LYS  76   2.749  11.689 -20.786
  603    HA   LYS  76           HA       LYS  76   3.061   8.922 -19.703
  604    HB2  LYS  76           HB2      LYS  76   5.102  10.637 -21.164
  605    HB3  LYS  76           HB3      LYS  76   5.431   9.077 -20.403
  606    HG2  LYS  76           HG2      LYS  76   3.760   7.991 -21.904
  607    HG3  LYS  76           HG3      LYS  76   3.507   9.545 -22.724
  608    HD2  LYS  76           HD2      LYS  76   5.900   9.604 -23.367
  609    HD3  LYS  76           HD3      LYS  76   6.156   8.043 -22.553
  610    HE2  LYS  76           HE2      LYS  76   4.484   6.988 -24.063
  611    HE3  LYS  76           HE3      LYS  76   4.234   8.539 -24.876
  612    HZ1  LYS  76           HZ1      LYS  76   6.787   7.033 -24.829
  613    HZ2  LYS  76           HZ2      LYS  76   5.770   7.137 -26.096
  614    HZ3  LYS  76           HZ3      LYS  76   6.556   8.467 -25.582
  615    H    ASP  77           H        ASP  77   3.357  12.318 -18.954
  616    HA   ASP  77           HA       ASP  77   4.087  11.777 -16.226
  617    HB2  ASP  77           HB2      ASP  77   6.336  11.666 -17.410
  618    HB3  ASP  77           HB3      ASP  77   6.070  13.313 -17.964
  619    H    MET  78           H        MET  78   3.958  13.906 -15.031
  620    HA   MET  78           HA       MET  78   1.992  15.696 -16.323
  621    HB2  MET  78           HB2      MET  78   3.087  15.325 -13.518
  622    HB3  MET  78           HB3      MET  78   2.059  16.690 -13.940
  623    HG2  MET  78           HG2      MET  78   0.877  14.821 -12.880
  624    HG3  MET  78           HG3      MET  78   0.194  15.345 -14.413
  625    HE1  MET  78           HE1      MET  78  -0.872  13.643 -15.924
  626    HE2  MET  78           HE2      MET  78   0.684  13.879 -16.755
  627    HE3  MET  78           HE3      MET  78   0.030  12.246 -16.539
  628    H    TYR  79           H        TYR  79   2.317  17.893 -16.783
  629    HA   TYR  79           HA       TYR  79   4.994  19.088 -16.318
  630    HB2  TYR  79           HB2      TYR  79   3.574  18.913 -18.998
  631    HB3  TYR  79           HB3      TYR  79   5.014  19.854 -18.678
  632    HD1  TYR  79           HD1      TYR  79   3.634  16.461 -19.142
  633    HD2  TYR  79           HD2      TYR  79   7.220  18.811 -18.694
  634    HE1  TYR  79           HE1      TYR  79   4.966  14.550 -19.929
  635    HE2  TYR  79           HE2      TYR  79   8.574  16.897 -19.503
  636    HH   TYR  79           HH       TYR  79   7.090  13.732 -20.391
  637    H    VAL  80           H        VAL  80   5.038  21.355 -16.647
  638    HA   VAL  80           HA       VAL  80   2.430  22.755 -16.450
  639    HB   VAL  80           HB       VAL  80   3.681  24.256 -14.737
  640   HG11  VAL  80          HG11      VAL  80   2.709  22.938 -12.897
  641   HG12  VAL  80          HG12      VAL  80   1.622  23.088 -14.268
  642   HG13  VAL  80          HG13      VAL  80   2.482  21.562 -14.014
  643   HG21  VAL  80          HG21      VAL  80   5.175  23.086 -13.211
  644   HG22  VAL  80          HG22      VAL  80   5.129  21.620 -14.222
  645   HG23  VAL  80          HG23      VAL  80   5.874  23.100 -14.836
  646    H    GLU  81           H        GLU  81   2.550  24.926 -17.292
  647    HA   GLU  81           HA       GLU  81   4.875  25.552 -19.029
  648    HB2  GLU  81           HB2      GLU  81   2.221  26.990 -18.546
  649    HB3  GLU  81           HB3      GLU  81   3.512  27.556 -19.619
  650    HG2  GLU  81           HG2      GLU  81   3.297  25.392 -20.909
  651    HG3  GLU  81           HG3      GLU  81   1.888  25.002 -19.918
  652    H    VAL  82           H        VAL  82   6.383  27.107 -18.356
  653    HA   VAL  82           HA       VAL  82   5.874  28.560 -15.823
  654    HB   VAL  82           HB       VAL  82   7.916  27.836 -14.826
  655   HG11  VAL  82          HG11      VAL  82   5.896  26.393 -14.479
  656   HG12  VAL  82          HG12      VAL  82   6.521  25.295 -15.721
  657   HG13  VAL  82          HG13      VAL  82   7.442  25.567 -14.229
  658   HG21  VAL  82          HG21      VAL  82   9.365  27.458 -16.764
  659   HG22  VAL  82          HG22      VAL  82   9.348  26.040 -15.722
  660   HG23  VAL  82          HG23      VAL  82   8.409  26.031 -17.232
  661    H    ALA  83           H        ALA  83   7.214  30.418 -15.504
  662    HA   ALA  83           HA       ALA  83   8.861  31.261 -17.856
  663    HB1  ALA  83           HB1      ALA  83   6.932  32.951 -16.202
  664    HB2  ALA  83           HB2      ALA  83   8.088  33.575 -17.399
  665    HB3  ALA  83           HB3      ALA  83   6.765  32.522 -17.925
  666    H    ASP  84           H        ASP  84  10.812  32.126 -17.271
  667    HA   ASP  84           HA       ASP  84  11.797  31.465 -14.617
  668    HB2  ASP  84           HB2      ASP  84  13.260  31.211 -16.553
  669    HB3  ASP  84           HB3      ASP  84  13.012  32.911 -16.996
  670    H    ILE  85           H        ILE  85  11.865  32.730 -12.848
  671    HA   ILE  85           HA       ILE  85  11.040  35.559 -13.047
  672    HB   ILE  85           HB       ILE  85  11.644  33.803 -10.651
  673   HG12  ILE  85          HG12      ILE  85   8.957  34.758 -11.770
  674   HG13  ILE  85          HG13      ILE  85   9.596  33.138 -11.968
  675   HG21  ILE  85          HG21      ILE  85  10.284  36.530 -10.726
  676   HG22  ILE  85          HG22      ILE  85  10.597  35.550  -9.278
  677   HG23  ILE  85          HG23      ILE  85  11.945  36.245 -10.141
  678   HD11  ILE  85          HD11      ILE  85   8.765  34.406  -9.327
  679   HD12  ILE  85          HD12      ILE  85   7.978  33.096 -10.181
  680   HD13  ILE  85          HD13      ILE  85   9.580  32.827  -9.491
  681    H    GLY  86           H        GLY  86  13.976  33.624 -12.925
  682    HA2  GLY  86           HA2      GLY  86  15.739  35.287 -11.504
  683    HA3  GLY  86           HA3      GLY  86  16.167  34.143 -12.787
  684    H    GLY  87           H        GLY  87  14.996  35.247 -15.042
  685    HA2  GLY  87           HA2      GLY  87  15.197  38.104 -15.256
  686    HA3  GLY  87           HA3      GLY  87  16.685  37.333 -15.835
  687    H    LYS  88           H        LYS  88  15.085  34.917 -16.878
  688    HA   LYS  88           HA       LYS  88  14.543  36.128 -19.500
  689    HB2  LYS  88           HB2      LYS  88  14.464  33.201 -18.666
  690    HB3  LYS  88           HB3      LYS  88  14.449  33.833 -20.306
  691    HG2  LYS  88           HG2      LYS  88  16.764  34.023 -18.335
  692    HG3  LYS  88           HG3      LYS  88  16.627  32.934 -19.713
  693    HD2  LYS  88           HD2      LYS  88  16.589  34.919 -21.257
  694    HD3  LYS  88           HD3      LYS  88  16.781  35.978 -19.855
  695    HE2  LYS  88           HE2      LYS  88  18.936  35.732 -20.831
  696    HE3  LYS  88           HE3      LYS  88  18.936  34.858 -19.299
  697    HZ1  LYS  88           HZ1      LYS  88  18.653  33.617 -21.980
  698    HZ2  LYS  88           HZ2      LYS  88  19.998  33.597 -21.066
  699    HZ3  LYS  88           HZ3      LYS  88  18.675  32.794 -20.564
  700    H    ASP  89           H        ASP  89  12.711  36.943 -17.507
  701    HA   ASP  89           HA       ASP  89  10.219  35.557 -17.518
  702    HB2  ASP  89           HB2      ASP  89  10.781  37.297 -15.890
  703    HB3  ASP  89           HB3      ASP  89  10.927  38.495 -17.175
  704    H    ASP  90           H        ASP  90  11.801  37.536 -19.907
  705    HA   ASP  90           HA       ASP  90   9.598  38.347 -21.512
  706    HB2  ASP  90           HB2      ASP  90  11.884  39.290 -21.613
  707    HB3  ASP  90           HB3      ASP  90  12.493  37.756 -22.237
  708    H    ASP  91           H        ASP  91  10.708  35.141 -20.909
  709    HA   ASP  91           HA       ASP  91   9.362  34.123 -23.341
  710    HB2  ASP  91           HB2      ASP  91  11.862  34.213 -23.691
  711    HB3  ASP  91           HB3      ASP  91  12.042  33.114 -22.321
  712    H    VAL  92           H        VAL  92   8.994  31.696 -23.068
  713    HA   VAL  92           HA       VAL  92   8.337  30.972 -20.272
  714    HB   VAL  92           HB       VAL  92   6.319  30.768 -22.523
  715   HG11  VAL  92          HG11      VAL  92   5.995  30.601 -19.507
  716   HG12  VAL  92          HG12      VAL  92   4.677  30.496 -20.691
  717   HG13  VAL  92          HG13      VAL  92   5.907  29.238 -20.643
  718   HG21  VAL  92          HG21      VAL  92   5.078  32.674 -21.472
  719   HG22  VAL  92          HG22      VAL  92   6.485  32.982 -20.431
  720   HG23  VAL  92          HG23      VAL  92   6.600  33.178 -22.196
  721    H    TYR  93           H        TYR  93   8.077  28.759 -20.028
  722    HA   TYR  93           HA       TYR  93   9.235  26.963 -22.098
  723    HB2  TYR  93           HB2      TYR  93   9.991  27.116 -19.148
  724    HB3  TYR  93           HB3      TYR  93  10.746  26.117 -20.375
  725    HD1  TYR  93           HD2      TYR  93  12.281  27.112 -22.065
  726    HD2  TYR  93           HD1      TYR  93  10.542  29.488 -18.909
  727    HE1  TYR  93           HE2      TYR  93  13.948  28.888 -22.493
  728    HE2  TYR  93           HE1      TYR  93  12.199  31.289 -19.349
  729    HH   TYR  93           HH       TYR  93  14.725  30.990 -21.887
  730    H    THR  94           H        THR  94   9.204  24.667 -21.028
  731    HA   THR  94           HA       THR  94   6.748  24.189 -19.405
  732    HB   THR  94           HB       THR  94   7.588  22.361 -21.680
  733    HG1  THR  94           HG1      THR  94   6.894  24.320 -22.562
  734   HG21  THR  94          HG21      THR  94   5.302  21.463 -21.396
  735   HG22  THR  94          HG22      THR  94   6.241  21.328 -19.903
  736   HG23  THR  94          HG23      THR  94   5.015  22.607 -20.062
  737    H    ALA  95           H        ALA  95   7.124  22.870 -17.745
  738    HA   ALA  95           HA       ALA  95   9.793  21.548 -17.470
  739    HB1  ALA  95           HB1      ALA  95   9.770  23.650 -16.180
  740    HB2  ALA  95           HB2      ALA  95   8.221  23.205 -15.431
  741    HB3  ALA  95           HB3      ALA  95   9.677  22.266 -15.070
  742    H    LYS  96           H        LYS  96   9.703  19.626 -16.112
  743    HA   LYS  96           HA       LYS  96   7.190  18.168 -16.126
  744    HB2  LYS  96           HB2      LYS  96   9.868  17.760 -14.721
  745    HB3  LYS  96           HB3      LYS  96   8.488  16.672 -14.545
  746    HG2  LYS  96           HG2      LYS  96   8.471  16.167 -16.908
  747    HG3  LYS  96           HG3      LYS  96   9.777  17.321 -17.239
  748    HD2  LYS  96           HD2      LYS  96  10.088  15.033 -15.275
  749    HD3  LYS  96           HD3      LYS  96  10.382  14.812 -17.008
  750    HE2  LYS  96           HE2      LYS  96  12.276  16.136 -17.040
  751    HE3  LYS  96           HE3      LYS  96  11.774  17.105 -15.647
  752    HZ1  LYS  96           HZ1      LYS  96  12.549  14.279 -15.358
  753    HZ2  LYS  96           HZ2      LYS  96  13.619  15.507 -15.249
  754    HZ3  LYS  96           HZ3      LYS  96  12.364  15.439 -14.179
  755    H    LEU  97           H        LEU  97   5.624  18.390 -14.644
  756    HA   LEU  97           HA       LEU  97   5.814  20.273 -12.433
  757    HB2  LEU  97           HB2      LEU  97   3.762  19.693 -13.752
  758    HB3  LEU  97           HB3      LEU  97   3.783  18.090 -13.068
  759    HG   LEU  97           HG       LEU  97   2.201  19.970 -12.191
  760   HD11  LEU  97          HD11      LEU  97   3.633  18.221 -10.205
  761   HD12  LEU  97          HD12      LEU  97   2.000  18.922 -10.071
  762   HD13  LEU  97          HD13      LEU  97   2.339  17.719 -11.327
  763   HD21  LEU  97          HD21      LEU  97   4.504  20.542 -10.287
  764   HD22  LEU  97          HD22      LEU  97   4.047  21.621 -11.617
  765   HD23  LEU  97          HD23      LEU  97   2.897  21.281 -10.318
  766    H    SER  98           H        SER  98   6.537  16.957 -13.088
  767    HA   SER  98           HA       SER  98   6.819  15.906 -10.454
  768    HB2  SER  98           HB2      SER  98   8.165  15.053 -13.052
  769    HB3  SER  98           HB3      SER  98   7.718  14.036 -11.676
  770    HG   SER  98           HG       SER  98   6.189  14.030 -13.540
  771    H    ASP  99           H        ASP  99   8.610  18.361 -11.929
  772    HA   ASP  99           HA       ASP  99  11.017  17.847 -10.241
  773    HB2  ASP  99           HB2      ASP  99  10.856  18.977 -13.064
  774    HB3  ASP  99           HB3      ASP  99  12.194  19.330 -12.000
  775    H    ILE 100           H        ILE 100   8.271  19.434 -10.004
  776    HA   ILE 100           HA       ILE 100   9.433  22.138  -9.521
  777    HB   ILE 100           HB       ILE 100   6.870  21.208 -10.729
  778   HG12  ILE 100          HG12      ILE 100   8.976  22.229 -11.850
  779   HG13  ILE 100          HG13      ILE 100   7.370  22.711 -12.392
  780   HG21  ILE 100          HG21      ILE 100   5.876  22.373  -8.881
  781   HG22  ILE 100          HG22      ILE 100   6.931  23.782  -9.119
  782   HG23  ILE 100          HG23      ILE 100   5.713  23.350 -10.339
  783   HD11  ILE 100          HD11      ILE 100   9.068  24.349 -10.478
  784   HD12  ILE 100          HD12      ILE 100   8.998  24.573 -12.239
  785   HD13  ILE 100          HD13      ILE 100   7.551  24.846 -11.262
  786    H    GLU 101           H        GLU 101   8.983  23.134  -7.688
  787    HA   GLU 101           HA       GLU 101   7.459  21.729  -5.545
  788    HB2  GLU 101           HB2      GLU 101   9.913  21.368  -5.252
  789    HB3  GLU 101           HB3      GLU 101  10.169  23.117  -5.272
  790    HG2  GLU 101           HG2      GLU 101   8.647  23.295  -3.258
  791    HG3  GLU 101           HG3      GLU 101   8.548  21.533  -3.228
  792    H    ALA 102           H        ALA 102   5.730  23.102  -5.188
  793    HA   ALA 102           HA       ALA 102   5.767  25.831  -6.130
  794    HB1  ALA 102           HB1      ALA 102   3.806  24.391  -4.294
  795    HB2  ALA 102           HB2      ALA 102   3.566  25.991  -5.038
  796    HB3  ALA 102           HB3      ALA 102   3.678  24.570  -6.064
  797    H    ILE 103           H        ILE 103   5.667  27.717  -4.956
  798    HA   ILE 103           HA       ILE 103   6.729  27.667  -2.162
  799    HB   ILE 103           HB       ILE 103   7.176  29.627  -4.442
  800   HG12  ILE 103          HG12      ILE 103   9.263  27.964  -2.955
  801   HG13  ILE 103          HG13      ILE 103   8.532  27.433  -4.458
  802   HG21  ILE 103          HG21      ILE 103   8.240  29.752  -1.586
  803   HG22  ILE 103          HG22      ILE 103   8.648  30.877  -2.901
  804   HG23  ILE 103          HG23      ILE 103   7.008  30.830  -2.277
  805   HD11  ILE 103          HD11      ILE 103   9.352  29.513  -5.589
  806   HD12  ILE 103          HD12      ILE 103  10.247  29.918  -4.103
  807   HD13  ILE 103          HD13      ILE 103  10.628  28.444  -4.995
  808    H    ASP 104           H        ASP 104   5.525  28.635  -0.691
  809    HA   ASP 104           HA       ASP 104   3.767  29.556   0.349
  810    HB2  ASP 104           HB2      ASP 104   5.329  31.398  -0.116
  811    HB3  ASP 104           HB3      ASP 104   4.421  31.804  -1.573
  812    H    VAL 105           H        VAL 105   2.752  27.769  -1.497
  813    HA   VAL 105           HA       VAL 105   0.504  29.156  -2.835
  814    HB   VAL 105           HB       VAL 105   2.144  27.542  -3.984
  815   HG11  VAL 105          HG11      VAL 105   0.373  25.446  -2.716
  816   HG12  VAL 105          HG12      VAL 105   1.478  25.182  -4.061
  817   HG13  VAL 105          HG13      VAL 105   2.114  25.655  -2.473
  818   HG21  VAL 105          HG21      VAL 105   0.597  26.982  -5.615
  819   HG22  VAL 105          HG22      VAL 105  -0.788  27.108  -4.499
  820   HG23  VAL 105          HG23      VAL 105   0.139  28.551  -4.972
  821    H    ASP 106           H        ASP 106  -1.613  27.673  -2.859
  822    HA   ASP 106           HA       ASP 106  -2.526  27.678  -0.116
  823    HB2  ASP 106           HB2      ASP 106  -4.517  27.904  -1.002
  824    HB3  ASP 106           HB3      ASP 106  -3.783  27.960  -2.603
  825    H    ASP 107           H        ASP 107  -3.591  25.853   0.909
  826    HA   ASP 107           HA       ASP 107  -1.841  23.711   1.244
  827    HB2  ASP 107           HB2      ASP 107  -3.434  24.452   2.944
  828    HB3  ASP 107           HB3      ASP 107  -4.792  23.953   1.931
  829    H    ASP 108           H        ASP 108  -4.718  23.879  -0.948
  830    HA   ASP 108           HA       ASP 108  -4.749  20.998  -1.263
  831    HB2  ASP 108           HB2      ASP 108  -6.686  22.730  -1.466
  832    HB3  ASP 108           HB3      ASP 108  -6.092  22.988  -3.109
  833    H    THR 109           H        THR 109  -3.498  23.796  -3.141
  834    HA   THR 109           HA       THR 109  -2.451  22.342  -5.365
  835    HB   THR 109           HB       THR 109  -1.356  24.913  -4.067
  836    HG1  THR 109           HG1      THR 109  -3.528  25.160  -4.458
  837   HG21  THR 109          HG21      THR 109  -0.775  25.488  -6.408
  838   HG22  THR 109          HG22      THR 109   0.114  24.060  -5.847
  839   HG23  THR 109          HG23      THR 109  -1.282  23.907  -6.939
  840    H    GLN 110           H        GLN 110  -1.033  23.235  -2.152
  841    HA   GLN 110           HA       GLN 110   1.507  22.104  -2.691
  842    HB2  GLN 110           HB2      GLN 110   0.669  23.723  -0.795
  843    HB3  GLN 110           HB3      GLN 110   0.329  22.248   0.106
  844    HG2  GLN 110           HG2      GLN 110   3.012  23.122  -1.068
  845    HG3  GLN 110           HG3      GLN 110   2.547  23.245   0.622
  846   HE21  GLN 110          HE22      GLN 110   4.308  21.355  -1.524
  847   HE22  GLN 110          HE21      GLN 110   4.263  19.837  -0.664
  848    H    GLU 111           H        GLU 111  -1.419  20.681  -1.087
  849    HA   GLU 111           HA       GLU 111  -0.283  18.163  -0.509
  850    HB2  GLU 111           HB2      GLU 111  -3.108  19.151  -1.006
  851    HB3  GLU 111           HB3      GLU 111  -2.812  17.430  -0.806
  852    HG2  GLU 111           HG2      GLU 111  -1.925  19.521   1.212
  853    HG3  GLU 111           HG3      GLU 111  -3.460  18.651   1.294
  854    H    ALA 112           H        ALA 112  -1.941  19.288  -3.503
  855    HA   ALA 112           HA       ALA 112  -1.955  16.738  -4.778
  856    HB1  ALA 112           HB1      ALA 112  -3.291  18.643  -5.548
  857    HB2  ALA 112           HB2      ALA 112  -1.818  19.542  -5.971
  858    HB3  ALA 112           HB3      ALA 112  -2.242  18.058  -6.856
  859    H    ILE 113           H        ILE 113   0.475  19.399  -4.802
  860    HA   ILE 113           HA       ILE 113   2.274  18.074  -6.592
  861    HB   ILE 113           HB       ILE 113   2.567  20.315  -4.581
  862   HG12  ILE 113          HG12      ILE 113   2.681  20.392  -7.635
  863   HG13  ILE 113          HG13      ILE 113   1.159  20.498  -6.752
  864   HG21  ILE 113          HG21      ILE 113   4.680  19.272  -6.515
  865   HG22  ILE 113          HG22      ILE 113   4.774  20.833  -5.672
  866   HG23  ILE 113          HG23      ILE 113   4.778  19.342  -4.740
  867   HD11  ILE 113          HD11      ILE 113   2.029  22.435  -5.471
  868   HD12  ILE 113          HD12      ILE 113   3.459  22.435  -6.550
  869   HD13  ILE 113          HD13      ILE 113   1.837  22.721  -7.211
  870    H    ALA 114           H        ALA 114   2.265  18.275  -2.966
  871    HA   ALA 114           HA       ALA 114   4.612  16.781  -2.564
  872    HB1  ALA 114           HB1      ALA 114   2.116  16.957  -0.807
  873    HB2  ALA 114           HB2      ALA 114   3.709  16.365  -0.291
  874    HB3  ALA 114           HB3      ALA 114   3.508  18.059  -0.768
  875    H    ASP 115           H        ASP 115   1.200  15.712  -2.716
  876    HA   ASP 115           HA       ASP 115   1.649  12.932  -2.330
  877    HB2  ASP 115           HB2      ASP 115  -0.554  13.893  -2.105
  878    HB3  ASP 115           HB3      ASP 115  -0.534  14.440  -3.788
  879    H    TRP 116           H        TRP 116   1.699  14.916  -5.350
  880    HA   TRP 116           HA       TRP 116   1.963  12.618  -7.071
  881    HB2  TRP 116           HB2      TRP 116   1.093  14.725  -7.907
  882    HB3  TRP 116           HB3      TRP 116   2.565  15.576  -7.439
  883    HD1  TRP 116           HD1      TRP 116   4.044  16.081  -9.409
  884    HE1  TRP 116           HE1      TRP 116   4.649  14.995 -11.654
  885    HE3  TRP 116           HE3      TRP 116   1.097  11.895  -9.117
  886    HZ2  TRP 116           HZ2      TRP 116   4.065  12.541 -13.051
  887    HZ3  TRP 116           HZ3      TRP 116   1.120  10.223 -10.933
  888    HH2  TRP 116           HH2      TRP 116   2.628  10.515 -12.890
  889    H    LEU 117           H        LEU 117   4.287  14.829  -5.429
  890    HA   LEU 117           HA       LEU 117   6.581  13.851  -6.825
  891    HB2  LEU 117           HB2      LEU 117   6.238  15.315  -4.183
  892    HB3  LEU 117           HB3      LEU 117   7.819  14.890  -4.827
  893    HG   LEU 117           HG       LEU 117   5.825  16.630  -6.343
  894   HD11  LEU 117          HD11      LEU 117   8.221  17.435  -4.641
  895   HD12  LEU 117          HD12      LEU 117   7.206  18.524  -5.613
  896   HD13  LEU 117          HD13      LEU 117   6.510  17.678  -4.224
  897   HD21  LEU 117          HD21      LEU 117   7.435  15.579  -7.844
  898   HD22  LEU 117          HD22      LEU 117   7.800  17.295  -7.665
  899   HD23  LEU 117          HD23      LEU 117   8.784  16.090  -6.803
  900    H    TYR 118           H        TYR 118   5.186  12.912  -3.576
  901    HA   TYR 118           HA       TYR 118   7.324  10.940  -3.371
  902    HB2  TYR 118           HB2      TYR 118   6.400  10.212  -1.336
  903    HB3  TYR 118           HB3      TYR 118   6.627  11.931  -1.384
  904    HD1  TYR 118           HD1      TYR 118   3.758   9.540  -2.170
  905    HD2  TYR 118           HD2      TYR 118   5.096  13.125  -0.163
  906    HE1  TYR 118           HE1      TYR 118   1.495   9.870  -1.250
  907    HE2  TYR 118           HE2      TYR 118   2.846  13.427   0.802
  908    HH   TYR 118           HH       TYR 118   0.766  12.453   1.113
  909    H    TRP 119           H        TRP 119   4.117  10.904  -4.859
  910    HA   TRP 119           HA       TRP 119   3.989   8.021  -5.121
  911    HB2  TRP 119           HB2      TRP 119   2.006   9.318  -5.463
  912    HB3  TRP 119           HB3      TRP 119   2.794  10.352  -6.644
  913    HD1  TRP 119           HD1      TRP 119   3.019   9.545  -9.088
  914    HE1  TRP 119           HE1      TRP 119   1.757   7.813 -10.463
  915    HE3  TRP 119           HE3      TRP 119   1.119   6.730  -5.256
  916    HZ2  TRP 119           HZ2      TRP 119   0.114   5.456  -9.968
  917    HZ3  TRP 119           HZ3      TRP 119  -0.274   4.736  -5.737
  918    HH2  TRP 119           HH2      TRP 119  -0.787   4.095  -8.084
  919    H    LEU 120           H        LEU 120   5.501  10.699  -7.000
  920    HA   LEU 120           HA       LEU 120   6.557   9.201  -9.097
  921    HB2  LEU 120           HB2      LEU 120   6.730  11.835  -8.340
  922    HB3  LEU 120           HB3      LEU 120   8.322  11.286  -7.852
  923    HG   LEU 120           HG       LEU 120   8.405  10.238 -10.285
  924   HD11  LEU 120          HD11      LEU 120   7.107  11.559 -11.920
  925   HD12  LEU 120          HD12      LEU 120   5.994  10.800 -10.770
  926   HD13  LEU 120          HD13      LEU 120   6.377  12.511 -10.610
  927   HD21  LEU 120          HD21      LEU 120   9.922  11.973  -9.488
  928   HD22  LEU 120          HD22      LEU 120   9.369  12.367 -11.120
  929   HD23  LEU 120          HD23      LEU 120   8.679  13.218  -9.714
  930    H    ALA 121           H        ALA 121   7.932   9.901  -5.858
  931    HA   ALA 121           HA       ALA 121  10.308   8.390  -6.100
  932    HB1  ALA 121           HB1      ALA 121   9.863  10.151  -4.372
  933    HB2  ALA 121           HB2      ALA 121   8.753   9.023  -3.549
  934    HB3  ALA 121           HB3      ALA 121  10.473   8.634  -3.684
  935    H    ARG 122           H        ARG 122   7.016   7.315  -5.496
  936    HA   ARG 122           HA       ARG 122   7.665   4.792  -4.270
  937    HB2  ARG 122           HB2      ARG 122   5.393   6.218  -4.496
  938    HB3  ARG 122           HB3      ARG 122   5.137   5.121  -5.862
  939    HG2  ARG 122           HG2      ARG 122   5.468   3.177  -4.303
  940    HG3  ARG 122           HG3      ARG 122   5.826   4.312  -2.998
  941    HD2  ARG 122           HD2      ARG 122   3.653   3.799  -2.578
  942    HD3  ARG 122           HD3      ARG 122   3.470   5.317  -3.447
  943    HE   ARG 122           HE       ARG 122   3.186   3.680  -5.490
  944   HH11  ARG 122          HH21      ARG 122   1.885   3.128  -2.162
  945   HH12  ARG 122          HH22      ARG 122   0.575   2.138  -2.788
  946   HH21  ARG 122          HH11      ARG 122   1.325   2.320  -6.135
  947   HH22  ARG 122          HH12      ARG 122   0.278   1.720  -4.863
  948    H    GLY 123           H        GLY 123   8.162   5.908  -7.482
  949    HA2  GLY 123           HA2      GLY 123   9.071   4.768  -9.272
  950    HA3  GLY 123           HA3      GLY 123   9.017   3.253  -8.351
  951    H    TYR 124           H        TYR 124   6.360   5.530  -9.053
  952    HA   TYR 124           HA       TYR 124   4.418   3.674  -9.766
  953    HB2  TYR 124           HB2      TYR 124   3.125   5.498 -10.460
  954    HB3  TYR 124           HB3      TYR 124   4.142   6.139  -9.182
  955    HD1  TYR 124           HD1      TYR 124   6.511   7.161 -10.129
  956    HD2  TYR 124           HD2      TYR 124   2.844   6.837 -12.393
  957    HE1  TYR 124           HE1      TYR 124   7.375   8.780 -11.760
  958    HE2  TYR 124           HE2      TYR 124   3.681   8.538 -13.980
  959    HH   TYR 124           HH       TYR 124   5.489   9.857 -14.621
  960    H    LYS 125           H        LYS 125   3.399   3.239 -11.770
  961    HA   LYS 125           HA       LYS 125   4.851   3.576 -14.316
  962    HB2  LYS 125           HB2      LYS 125   3.922   0.840 -13.310
  963    HB3  LYS 125           HB3      LYS 125   4.726   1.194 -14.845
  964    HG2  LYS 125           HG2      LYS 125   6.755   1.919 -13.565
  965    HG3  LYS 125           HG3      LYS 125   5.933   1.412 -12.071
  966    HD2  LYS 125           HD2      LYS 125   5.767  -0.903 -12.939
  967    HD3  LYS 125           HD3      LYS 125   6.608  -0.404 -14.425
  968    HE2  LYS 125           HE2      LYS 125   8.578   0.286 -13.076
  969    HE3  LYS 125           HE3      LYS 125   7.741  -0.200 -11.596
  970    HZ1  LYS 125           HZ1      LYS 125   7.732  -2.481 -12.429
  971    HZ2  LYS 125           HZ2      LYS 125   8.505  -2.031 -13.798
  972    HZ3  LYS 125           HZ3      LYS 125   9.256  -1.914 -12.359
  973    H    PHE 126           H        PHE 126   2.326   4.412 -12.834
  974    HA   PHE 126           HA       PHE 126   0.076   4.514 -12.943
  975    HB2  PHE 126           HB2      PHE 126   0.563   4.300 -15.930
  976    HB3  PHE 126           HB3      PHE 126  -0.939   4.777 -15.170
  977    HD1  PHE 126           HD2      PHE 126  -0.374   6.733 -13.170
  978    HD2  PHE 126           HD1      PHE 126   1.557   6.136 -16.980
  979    HE1  PHE 126           HE2      PHE 126   0.191   9.149 -13.271
  980    HE2  PHE 126           HE1      PHE 126   2.115   8.545 -17.071
  981    HZ   PHE 126           HZ       PHE 126   1.435  10.063 -15.218
  Start of MODEL    7
    1    H1   MET   1           H1       MET   1   8.839  -2.933  -4.111
    2    H2   MET   1           H2       MET   1   8.930  -2.841  -5.749
    3    H3   MET   1           H3       MET   1  10.045  -2.086  -4.815
    4    HA   MET   1           HA       MET   1   8.528  -0.484  -5.695
    5    HB2  MET   1           HB2      MET   1   6.609  -2.120  -5.878
    6    HB3  MET   1           HB3      MET   1   6.371  -1.973  -4.130
    7    HG2  MET   1           HG2      MET   1   6.003   0.482  -4.430
    8    HG3  MET   1           HG3      MET   1   6.230   0.284  -6.170
    9    HE1  MET   1           HE1      MET   1   3.970   1.608  -6.547
   10    HE2  MET   1           HE2      MET   1   2.451   1.191  -5.720
   11    HE3  MET   1           HE3      MET   1   3.843   1.761  -4.778
   12    H    ALA   2           H        ALA   2   8.581   1.437  -4.537
   13    HA   ALA   2           HA       ALA   2   9.674   1.442  -1.879
   14    HB1  ALA   2           HB1      ALA   2   8.358   3.752  -3.364
   15    HB2  ALA   2           HB2      ALA   2   9.557   3.847  -2.072
   16    HB3  ALA   2           HB3      ALA   2  10.031   3.224  -3.657
   17    H    SER   3           H        SER   3   8.650   2.729  -0.090
   18    HA   SER   3           HA       SER   3   5.711   2.300   0.165
   19    HB2  SER   3           HB2      SER   3   7.820   1.878   2.313
   20    HB3  SER   3           HB3      SER   3   6.083   1.561   2.449
   21    HG   SER   3           HG       SER   3   6.305  -0.086   0.915
   22    H    VAL   4           H        VAL   4   6.948   4.670  -0.768
   23    HA   VAL   4           HA       VAL   4   7.528   6.518   1.355
   24    HB   VAL   4           HB       VAL   4   7.506   8.141  -0.657
   25   HG11  VAL   4          HG11      VAL   4   9.572   7.196   0.281
   26   HG12  VAL   4          HG12      VAL   4   9.371   5.733  -0.701
   27   HG13  VAL   4          HG13      VAL   4   9.673   7.300  -1.483
   28   HG21  VAL   4          HG21      VAL   4   6.054   6.850  -2.115
   29   HG22  VAL   4          HG22      VAL   4   7.594   7.295  -2.859
   30   HG23  VAL   4          HG23      VAL   4   7.355   5.632  -2.317
   31    H    GLU   5           H        GLU   5   4.491   5.446   0.112
   32    HA   GLU   5           HA       GLU   5   3.030   7.904   0.405
   33    HB2  GLU   5           HB2      GLU   5   1.063   6.579   0.298
   34    HB3  GLU   5           HB3      GLU   5   2.195   5.930  -0.870
   35    HG2  GLU   5           HG2      GLU   5   1.525   4.754   1.867
   36    HG3  GLU   5           HG3      GLU   5   0.945   4.175   0.314
   37    H    ARG   6           H        ARG   6   1.490   8.453   2.153
   38    HA   ARG   6           HA       ARG   6   2.576   8.374   4.749
   39    HB2  ARG   6           HB2      ARG   6   0.997  10.027   3.803
   40    HB3  ARG   6           HB3      ARG   6  -0.253   8.783   3.690
   41    HG2  ARG   6           HG2      ARG   6  -0.257   8.588   6.189
   42    HG3  ARG   6           HG3      ARG   6   0.948   9.905   6.254
   43    HD2  ARG   6           HD2      ARG   6  -0.632  11.318   4.890
   44    HD3  ARG   6           HD3      ARG   6  -1.804  10.007   4.940
   45    HE   ARG   6           HE       ARG   6  -2.333  10.479   7.137
   46   HH11  ARG   6          HH11      ARG   6   0.488  12.447   6.235
   47   HH12  ARG   6          HH12      ARG   6   0.407  13.452   7.632
   48   HH21  ARG   6          HH21      ARG   6  -2.433  11.816   8.998
   49   HH22  ARG   6          HH22      ARG   6  -1.290  13.081   9.236
   50    H    ASP   7           H        ASP   7  -0.117   6.494   3.282
   51    HA   ASP   7           HA       ASP   7   0.512   4.055   4.566
   52    HB2  ASP   7           HB2      ASP   7  -0.644   5.322   6.487
   53    HB3  ASP   7           HB3      ASP   7  -2.083   5.387   5.476
   54    H    GLU   8           H        GLU   8  -1.424   2.492   3.910
   55    HA   GLU   8           HA       GLU   8  -2.023   2.787   1.135
   56    HB2  GLU   8           HB2      GLU   8  -3.341   0.800   1.362
   57    HB3  GLU   8           HB3      GLU   8  -1.881   0.626   2.336
   58    HG2  GLU   8           HG2      GLU   8  -3.247   1.252   4.376
   59    HG3  GLU   8           HG3      GLU   8  -4.685   1.272   3.357
   60    H    THR   9           H        THR   9  -3.648   4.179   3.905
   61    HA   THR   9           HA       THR   9  -6.170   4.758   2.916
   62    HB   THR   9           HB       THR   9  -4.311   6.696   4.317
   63    HG1  THR   9           HG1      THR   9  -4.843   5.639   6.215
   64   HG21  THR   9          HG21      THR   9  -6.531   7.626   3.764
   65   HG22  THR   9          HG22      THR   9  -7.321   6.250   4.566
   66   HG23  THR   9          HG23      THR   9  -6.355   7.413   5.509
   67    H    ARG  10           H        ARG  10  -3.010   6.239   1.929
   68    HA   ARG  10           HA       ARG  10  -4.307   8.306   0.343
   69    HB2  ARG  10           HB2      ARG  10  -1.474   7.218   0.504
   70    HB3  ARG  10           HB3      ARG  10  -1.937   8.364  -0.751
   71    HG2  ARG  10           HG2      ARG  10  -2.453   8.960   2.190
   72    HG3  ARG  10           HG3      ARG  10  -0.906   9.318   1.419
   73    HD2  ARG  10           HD2      ARG  10  -1.992  10.749  -0.238
   74    HD3  ARG  10           HD3      ARG  10  -3.582  10.396   0.437
   75    HE   ARG  10           HE       ARG  10  -2.777  11.428   2.567
   76   HH11  ARG  10          HH11      ARG  10  -1.410  12.573  -0.574
   77   HH12  ARG  10          HH12      ARG  10  -1.036  14.134   0.094
   78   HH21  ARG  10          HH21      ARG  10  -2.251  13.545   3.315
   79   HH22  ARG  10          HH22      ARG  10  -1.525  14.694   2.226
   80    H    GLU  11           H        GLU  11  -3.085   4.992  -0.371
   81    HA   GLU  11           HA       GLU  11  -3.630   5.149  -3.168
   82    HB2  GLU  11           HB2      GLU  11  -3.647   2.680  -1.378
   83    HB3  GLU  11           HB3      GLU  11  -3.616   2.706  -3.146
   84    HG2  GLU  11           HG2      GLU  11  -1.480   4.119  -2.957
   85    HG3  GLU  11           HG3      GLU  11  -1.461   3.702  -1.243
   86    H    HIS  12           H        HIS  12  -5.708   4.286  -0.378
   87    HA   HIS  12           HA       HIS  12  -8.016   3.646  -1.974
   88    HB2  HIS  12           HB2      HIS  12  -7.755   4.589   0.908
   89    HB3  HIS  12           HB3      HIS  12  -9.287   4.186   0.145
   90    HD1  HIS  12           HD1      HIS  12  -5.919   2.353   0.849
   91    HD2  HIS  12           HD2      HIS  12 -10.035   1.705   0.240
   92    HE1  HIS  12           HE1      HIS  12  -6.322  -0.135   1.247
   93    H    ARG  13           H        ARG  13  -6.848   6.777  -0.575
   94    HA   ARG  13           HA       ARG  13  -9.144   8.246  -1.498
   95    HB2  ARG  13           HB2      ARG  13  -6.326   9.118  -0.753
   96    HB3  ARG  13           HB3      ARG  13  -7.616  10.255  -1.117
   97    HG2  ARG  13           HG2      ARG  13  -8.050   8.171   1.055
   98    HG3  ARG  13           HG3      ARG  13  -7.059   9.585   1.378
   99    HD2  ARG  13           HD2      ARG  13  -9.386   9.896   2.113
  100    HD3  ARG  13           HD3      ARG  13  -8.871  11.086   0.917
  101    HE   ARG  13           HE       ARG  13 -10.476   8.660   0.188
  102   HH11  ARG  13          HH11      ARG  13 -10.316  12.232   0.266
  103   HH12  ARG  13          HH12      ARG  13 -11.420  12.384  -1.089
  104   HH21  ARG  13          HH21      ARG  13 -11.826   8.999  -1.699
  105   HH22  ARG  13          HH22      ARG  13 -12.291  10.652  -2.082
  106    H    ILE  14           H        ILE  14  -6.007   7.523  -3.035
  107    HA   ILE  14           HA       ILE  14  -6.422   9.037  -5.403
  108    HB   ILE  14           HB       ILE  14  -4.875   6.514  -4.738
  109   HG12  ILE  14          HG12      ILE  14  -3.797   9.209  -5.607
  110   HG13  ILE  14          HG13      ILE  14  -4.226   8.918  -3.930
  111   HG21  ILE  14          HG21      ILE  14  -5.439   6.254  -7.089
  112   HG22  ILE  14          HG22      ILE  14  -4.914   7.921  -7.439
  113   HG23  ILE  14          HG23      ILE  14  -3.742   6.683  -6.945
  114   HD11  ILE  14          HD11      ILE  14  -2.603   7.052  -3.816
  115   HD12  ILE  14          HD12      ILE  14  -2.139   7.361  -5.501
  116   HD13  ILE  14          HD13      ILE  14  -1.843   8.587  -4.261
  117    H    GLU  15           H        GLU  15  -7.226   5.604  -4.645
  118    HA   GLU  15           HA       GLU  15  -8.444   5.035  -7.076
  119    HB2  GLU  15           HB2      GLU  15  -7.716   3.346  -5.504
  120    HB3  GLU  15           HB3      GLU  15  -8.886   3.878  -4.290
  121    HG2  GLU  15           HG2      GLU  15 -10.749   3.148  -5.669
  122    HG3  GLU  15           HG3      GLU  15  -9.661   2.753  -7.008
  123    H    THR  16           H        THR  16  -9.973   6.377  -4.117
  124    HA   THR  16           HA       THR  16 -12.610   6.027  -5.229
  125    HB   THR  16           HB       THR  16 -13.314   7.171  -3.069
  126    HG1  THR  16           HG1      THR  16 -10.621   6.722  -2.336
  127   HG21  THR  16          HG21      THR  16 -13.304   4.746  -3.298
  128   HG22  THR  16          HG22      THR  16 -11.571   4.671  -2.930
  129   HG23  THR  16          HG23      THR  16 -12.728   5.204  -1.687
  130    H    GLU  17           H        GLU  17 -10.430   8.575  -5.799
  131    HA   GLU  17           HA       GLU  17 -12.613   9.961  -7.114
  132    HB2  GLU  17           HB2      GLU  17 -12.346  12.163  -6.126
  133    HB3  GLU  17           HB3      GLU  17 -12.923  10.971  -4.977
  134    HG2  GLU  17           HG2      GLU  17 -10.629  10.803  -4.012
  135    HG3  GLU  17           HG3      GLU  17 -10.077  12.043  -5.145
  136    H    ILE  18           H        ILE  18  -9.088   9.643  -6.745
  137    HA   ILE  18           HA       ILE  18  -8.630  11.777  -8.692
  138    HB   ILE  18           HB       ILE  18  -6.677   9.724  -7.589
  139   HG12  ILE  18          HG12      ILE  18  -7.532  12.495  -6.670
  140   HG13  ILE  18          HG13      ILE  18  -7.582  11.006  -5.746
  141   HG21  ILE  18          HG21      ILE  18  -4.937  11.232  -8.367
  142   HG22  ILE  18          HG22      ILE  18  -5.941  10.773  -9.730
  143   HG23  ILE  18          HG23      ILE  18  -6.148  12.373  -8.989
  144   HD11  ILE  18          HD11      ILE  18  -5.115  12.617  -6.482
  145   HD12  ILE  18          HD12      ILE  18  -5.818  12.354  -4.880
  146   HD13  ILE  18          HD13      ILE  18  -5.062  11.001  -5.740
  147    H    ILE  19           H        ILE  19  -8.621   8.166  -8.724
  148    HA   ILE  19           HA       ILE  19  -8.795   8.282 -11.707
  149    HB   ILE  19           HB       ILE  19  -7.628   6.158 -11.722
  150   HG12  ILE  19          HG12      ILE  19  -7.028   6.724  -8.783
  151   HG13  ILE  19          HG13      ILE  19  -8.194   5.514  -9.354
  152   HG21  ILE  19          HG21      ILE  19  -5.430   7.133 -11.533
  153   HG22  ILE  19          HG22      ILE  19  -6.535   8.363 -12.133
  154   HG23  ILE  19          HG23      ILE  19  -6.017   8.395 -10.432
  155   HD11  ILE  19          HD11      ILE  19  -6.129   4.413  -8.893
  156   HD12  ILE  19          HD12      ILE  19  -6.374   4.455 -10.664
  157   HD13  ILE  19          HD13      ILE  19  -5.224   5.579  -9.888
  158    H    VAL  20           H        VAL  20 -10.917   8.020  -9.375
  159    HA   VAL  20           HA       VAL  20 -12.074   5.506  -9.514
  160    HB   VAL  20           HB       VAL  20 -12.575   7.388  -7.965
  161   HG11  VAL  20          HG11      VAL  20 -12.996   9.214  -9.575
  162   HG12  VAL  20          HG12      VAL  20 -14.495   8.405 -10.086
  163   HG13  VAL  20          HG13      VAL  20 -14.327   8.998  -8.429
  164   HG21  VAL  20          HG21      VAL  20 -14.876   6.750  -7.509
  165   HG22  VAL  20          HG22      VAL  20 -15.038   6.055  -9.136
  166   HG23  VAL  20          HG23      VAL  20 -13.916   5.333  -7.961
  167    H    ASP  21           H        ASP  21 -12.352   8.136 -11.881
  168    HA   ASP  21           HA       ASP  21 -14.456   6.784 -13.413
  169    HB2  ASP  21           HB2      ASP  21 -14.391   9.243 -13.068
  170    HB3  ASP  21           HB3      ASP  21 -12.860   9.319 -13.941
  171    H    ALA  22           H        ALA  22 -11.108   6.349 -13.206
  172    HA   ALA  22           HA       ALA  22 -10.487   6.278 -16.046
  173    HB1  ALA  22           HB1      ALA  22  -8.856   5.212 -13.707
  174    HB2  ALA  22           HB2      ALA  22  -8.289   5.571 -15.346
  175    HB3  ALA  22           HB3      ALA  22  -8.801   6.896 -14.294
  176    H    GLU  23           H        GLU  23  -9.295   4.187 -16.821
  177    HA   GLU  23           HA       GLU  23 -10.583   1.676 -16.018
  178    HB2  GLU  23           HB2      GLU  23 -12.228   2.753 -17.553
  179    HB3  GLU  23           HB3      GLU  23 -10.990   2.844 -18.811
  180    HG2  GLU  23           HG2      GLU  23 -10.827   0.376 -18.849
  181    HG3  GLU  23           HG3      GLU  23 -11.971   0.262 -17.510
  182    H    ASP  24           H        ASP  24  -8.465   3.407 -18.386
  183    HA   ASP  24           HA       ASP  24  -6.614   1.061 -18.395
  184    HB2  ASP  24           HB2      ASP  24  -8.010   1.791 -20.525
  185    HB3  ASP  24           HB3      ASP  24  -6.767   3.030 -20.665
  186    H    LYS  25           H        LYS  25  -4.332   2.041 -19.273
  187    HA   LYS  25           HA       LYS  25  -3.367   3.577 -17.063
  188    HB2  LYS  25           HB2      LYS  25  -1.202   3.458 -18.167
  189    HB3  LYS  25           HB3      LYS  25  -2.034   1.911 -18.179
  190    HG2  LYS  25           HG2      LYS  25  -2.769   2.630 -20.636
  191    HG3  LYS  25           HG3      LYS  25  -1.498   3.834 -20.471
  192    HD2  LYS  25           HD2      LYS  25  -0.564   1.922 -21.600
  193    HD3  LYS  25           HD3      LYS  25   0.134   2.001 -19.986
  194    HE2  LYS  25           HE2      LYS  25  -0.366  -0.295 -20.416
  195    HE3  LYS  25           HE3      LYS  25  -1.535   0.270 -19.220
  196    HZ1  LYS  25           HZ1      LYS  25  -3.201   0.415 -20.969
  197    HZ2  LYS  25           HZ2      LYS  25  -2.097   0.007 -22.121
  198    HZ3  LYS  25           HZ3      LYS  25  -2.536  -1.072 -20.985
  199    H    GLU  26           H        GLU  26  -4.232   4.489 -20.381
  200    HA   GLU  26           HA       GLU  26  -3.182   7.178 -20.261
  201    HB2  GLU  26           HB2      GLU  26  -5.417   5.970 -21.960
  202    HB3  GLU  26           HB3      GLU  26  -4.667   7.550 -22.222
  203    HG2  GLU  26           HG2      GLU  26  -2.467   6.431 -22.589
  204    HG3  GLU  26           HG3      GLU  26  -3.231   4.859 -22.369
  205    H    GLU  27           H        GLU  27  -6.332   5.633 -19.530
  206    HA   GLU  27           HA       GLU  27  -7.714   8.068 -18.915
  207    HB2  GLU  27           HB2      GLU  27  -8.277   5.272 -17.881
  208    HB3  GLU  27           HB3      GLU  27  -9.393   6.634 -17.912
  209    HG2  GLU  27           HG2      GLU  27  -8.267   5.157 -20.324
  210    HG3  GLU  27           HG3      GLU  27  -9.904   5.051 -19.696
  211    H    ARG  28           H        ARG  28  -5.660   5.875 -16.950
  212    HA   ARG  28           HA       ARG  28  -6.298   7.207 -14.454
  213    HB2  ARG  28           HB2      ARG  28  -3.985   5.422 -15.318
  214    HB3  ARG  28           HB3      ARG  28  -4.094   6.131 -13.700
  215    HG2  ARG  28           HG2      ARG  28  -6.209   5.033 -13.258
  216    HG3  ARG  28           HG3      ARG  28  -6.300   4.424 -14.914
  217    HD2  ARG  28           HD2      ARG  28  -4.282   3.042 -14.534
  218    HD3  ARG  28           HD3      ARG  28  -4.157   3.676 -12.887
  219    HE   ARG  28           HE       ARG  28  -5.733   2.200 -12.197
  220   HH11  ARG  28          HH22      ARG  28  -6.135   2.513 -15.718
  221   HH12  ARG  28          HH21      ARG  28  -7.184   1.135 -15.850
  222   HH21  ARG  28          HH11      ARG  28  -7.178   0.414 -12.388
  223   HH22  ARG  28          HH12      ARG  28  -7.794  -0.053 -13.926
  224    H    ALA  29           H        ALA  29  -3.638   7.672 -16.871
  225    HA   ALA  29           HA       ALA  29  -2.377   9.787 -15.507
  226    HB1  ALA  29           HB1      ALA  29  -1.483  10.405 -17.710
  227    HB2  ALA  29           HB2      ALA  29  -1.453   8.639 -17.500
  228    HB3  ALA  29           HB3      ALA  29  -2.702   9.386 -18.512
  229    H    MET  30           H        MET  30  -5.173   9.885 -17.834
  230    HA   MET  30           HA       MET  30  -5.557  12.696 -17.615
  231    HB2  MET  30           HB2      MET  30  -7.164  10.359 -18.589
  232    HB3  MET  30           HB3      MET  30  -7.992  11.886 -18.298
  233    HG2  MET  30           HG2      MET  30  -7.234  11.634 -20.611
  234    HG3  MET  30           HG3      MET  30  -6.624  13.082 -19.826
  235    HE1  MET  30           HE1      MET  30  -3.719  12.747 -18.638
  236    HE2  MET  30           HE2      MET  30  -2.878  12.923 -20.173
  237    HE3  MET  30           HE3      MET  30  -4.340  13.872 -19.870
  238    H    GLY  31           H        GLY  31  -6.867  10.024 -15.590
  239    HA2  GLY  31           HA2      GLY  31  -8.648  11.540 -14.018
  240    HA3  GLY  31           HA3      GLY  31  -7.730  10.121 -13.472
  241    H    TRP  32           H        TRP  32  -5.136  10.861 -13.471
  242    HA   TRP  32           HA       TRP  32  -4.775  12.607 -11.268
  243    HB2  TRP  32           HB2      TRP  32  -2.925  11.506 -13.406
  244    HB3  TRP  32           HB3      TRP  32  -2.360  12.684 -12.233
  245    HD1  TRP  32           HD1      TRP  32  -3.112   9.017 -12.536
  246    HE1  TRP  32           HE1      TRP  32  -2.587   7.832 -10.332
  247    HE3  TRP  32           HE3      TRP  32  -2.423  13.126  -9.573
  248    HZ2  TRP  32           HZ2      TRP  32  -2.073   8.581  -7.582
  249    HZ3  TRP  32           HZ3      TRP  32  -1.924  12.861  -7.155
  250    HH2  TRP  32           HH2      TRP  32  -1.761  10.588  -6.159
  251    H    TYR  33           H        TYR  33  -4.426  13.261 -14.817
  252    HA   TYR  33           HA       TYR  33  -3.478  15.866 -14.559
  253    HB2  TYR  33           HB2      TYR  33  -3.427  14.739 -16.697
  254    HB3  TYR  33           HB3      TYR  33  -5.183  14.594 -16.720
  255    HD1  TYR  33           HD1      TYR  33  -2.400  17.058 -16.889
  256    HD2  TYR  33           HD2      TYR  33  -6.611  16.358 -17.464
  257    HE1  TYR  33           HE1      TYR  33  -2.639  19.313 -17.866
  258    HE2  TYR  33           HE2      TYR  33  -6.873  18.628 -18.396
  259    HH   TYR  33           HH       TYR  33  -5.806  20.614 -18.984
  260    H    TYR  34           H        TYR  34  -6.958  14.839 -14.894
  261    HA   TYR  34           HA       TYR  34  -7.810  17.583 -14.794
  262    HB2  TYR  34           HB2      TYR  34  -9.329  14.968 -14.549
  263    HB3  TYR  34           HB3      TYR  34 -10.096  16.551 -14.556
  264    HD1  TYR  34           HD2      TYR  34  -9.268  18.177 -16.567
  265    HD2  TYR  34           HD1      TYR  34  -9.210  13.866 -16.647
  266    HE1  TYR  34           HE2      TYR  34  -9.350  18.230 -19.036
  267    HE2  TYR  34           HE1      TYR  34  -9.253  13.907 -19.125
  268    HH   TYR  34           HH       TYR  34  -9.363  16.974 -21.000
  269    H    TYR  35           H        TYR  35  -7.363  15.061 -12.288
  270    HA   TYR  35           HA       TYR  35  -8.768  16.482 -10.233
  271    HB2  TYR  35           HB2      TYR  35  -8.052  14.055 -10.222
  272    HB3  TYR  35           HB3      TYR  35  -6.401  14.593  -9.930
  273    HD1  TYR  35           HD1      TYR  35  -9.831  14.322  -8.565
  274    HD2  TYR  35           HD2      TYR  35  -5.767  15.503  -7.711
  275    HE1  TYR  35           HE1      TYR  35 -10.365  14.395  -6.158
  276    HE2  TYR  35           HE2      TYR  35  -6.293  15.583  -5.295
  277    HH   TYR  35           HH       TYR  35  -9.536  14.652  -4.019
  278    H    LEU  36           H        LEU  36  -5.312  16.490 -11.286
  279    HA   LEU  36           HA       LEU  36  -4.446  18.398  -9.309
  280    HB2  LEU  36           HB2      LEU  36  -3.322  17.152 -11.805
  281    HB3  LEU  36           HB3      LEU  36  -2.637  18.676 -11.292
  282    HG   LEU  36           HG       LEU  36  -1.903  17.863  -9.208
  283   HD11  LEU  36          HD11      LEU  36  -2.241  15.506  -8.433
  284   HD12  LEU  36          HD12      LEU  36  -3.719  16.463  -8.413
  285   HD13  LEU  36          HD13      LEU  36  -3.449  15.290  -9.721
  286   HD21  LEU  36          HD21      LEU  36  -1.418  15.652 -11.244
  287   HD22  LEU  36          HD22      LEU  36  -0.587  17.219 -11.237
  288   HD23  LEU  36          HD23      LEU  36  -0.360  16.095  -9.884
  289    H    ASP  37           H        ASP  37  -5.612  18.709 -12.729
  290    HA   ASP  37           HA       ASP  37  -5.278  21.487 -12.932
  291    HB2  ASP  37           HB2      ASP  37  -5.847  20.097 -14.850
  292    HB3  ASP  37           HB3      ASP  37  -7.392  19.659 -14.120
  293    H    ASP  38           H        ASP  38  -7.891  19.632 -11.343
  294    HA   ASP  38           HA       ASP  38  -9.481  22.005 -10.786
  295    HB2  ASP  38           HB2      ASP  38 -10.492  19.777 -11.060
  296    HB3  ASP  38           HB3      ASP  38  -9.589  19.177  -9.668
  297    H    THR  39           H        THR  39  -6.724  20.475  -9.269
  298    HA   THR  39           HA       THR  39  -7.459  21.541  -6.584
  299    HB   THR  39           HB       THR  39  -5.252  19.665  -7.522
  300    HG1  THR  39           HG1      THR  39  -7.165  18.672  -7.695
  301   HG21  THR  39          HG21      THR  39  -6.048  20.647  -4.764
  302   HG22  THR  39          HG22      THR  39  -5.170  19.121  -5.009
  303   HG23  THR  39          HG23      THR  39  -4.450  20.662  -5.514
  304    H    LEU  40           H        LEU  40  -4.785  21.790  -8.983
  305    HA   LEU  40           HA       LEU  40  -3.065  23.301  -7.263
  306    HB2  LEU  40           HB2      LEU  40  -3.126  22.909 -10.281
  307    HB3  LEU  40           HB3      LEU  40  -1.795  23.669  -9.416
  308    HG   LEU  40           HG       LEU  40  -2.684  20.802  -8.885
  309   HD11  LEU  40          HD11      LEU  40  -0.485  21.816 -10.757
  310   HD12  LEU  40          HD12      LEU  40  -0.816  20.113 -10.371
  311   HD13  LEU  40          HD13      LEU  40  -2.012  21.066 -11.262
  312   HD21  LEU  40          HD21      LEU  40  -1.323  21.677  -7.099
  313   HD22  LEU  40          HD22      LEU  40  -0.422  20.482  -8.023
  314   HD23  LEU  40          HD23      LEU  40  -0.073  22.208  -8.256
  315    H    GLU  41           H        GLU  41  -3.349  25.407  -6.727
  316    HA   GLU  41           HA       GLU  41  -5.230  27.084  -8.214
  317    HB2  GLU  41           HB2      GLU  41  -3.612  27.639  -5.691
  318    HB3  GLU  41           HB3      GLU  41  -4.844  28.700  -6.405
  319    HG2  GLU  41           HG2      GLU  41  -6.489  26.781  -6.206
  320    HG3  GLU  41           HG3      GLU  41  -5.290  25.932  -5.229
  321    H    PHE  42           H        PHE  42  -3.354  26.515 -10.004
  322    HA   PHE  42           HA       PHE  42  -1.158  28.374 -10.101
  323    HB2  PHE  42           HB2      PHE  42  -0.944  27.649 -12.440
  324    HB3  PHE  42           HB3      PHE  42  -1.042  26.316 -11.325
  325    HD1  PHE  42           HD1      PHE  42  -3.166  28.364 -13.687
  326    HD2  PHE  42           HD2      PHE  42  -2.486  24.533 -11.821
  327    HE1  PHE  42           HE1      PHE  42  -4.897  27.348 -15.134
  328    HE2  PHE  42           HE2      PHE  42  -4.216  23.522 -13.280
  329    HZ   PHE  42           HZ       PHE  42  -5.425  24.928 -14.938
  330    HA   PRO  43           HA       PRO  43  -0.165  29.593 -12.276
  331    HB2  PRO  43           HB2      PRO  43   0.629  32.208 -12.293
  332    HB3  PRO  43           HB3      PRO  43  -0.242  31.437 -13.650
  333    HG2  PRO  43           HG2      PRO  43  -1.412  33.143 -11.440
  334    HG3  PRO  43           HG3      PRO  43  -1.688  33.269 -13.208
  335    HD2  PRO  43           HD2      PRO  43  -3.424  31.950 -11.580
  336    HD3  PRO  43           HD3      PRO  43  -3.064  31.346 -13.223
  337    H    PHE  44           H        PHE  44   1.712  29.548 -10.930
  338    HA   PHE  44           HA       PHE  44   1.621  30.941  -8.355
  339    HB2  PHE  44           HB2      PHE  44   1.913  29.015  -6.963
  340    HB3  PHE  44           HB3      PHE  44   0.381  28.904  -7.796
  341    HD1  PHE  44           HD2      PHE  44   3.903  27.638  -7.880
  342    HD2  PHE  44           HD1      PHE  44  -0.199  26.829  -8.852
  343    HE1  PHE  44           HE2      PHE  44   4.528  25.341  -8.469
  344    HE2  PHE  44           HE1      PHE  44   0.419  24.512  -9.481
  345    HZ   PHE  44           HZ       PHE  44   2.779  23.751  -9.298
  346    H    MET  45           H        MET  45   3.777  30.714  -7.214
  347    HA   MET  45           HA       MET  45   5.902  30.774  -9.275
  348    HB2  MET  45           HB2      MET  45   5.616  32.630  -7.612
  349    HB3  MET  45           HB3      MET  45   5.850  31.471  -6.293
  350    HG2  MET  45           HG2      MET  45   8.141  30.989  -7.214
  351    HG3  MET  45           HG3      MET  45   7.889  32.277  -8.397
  352    HE1  MET  45           HE1      MET  45  10.177  33.356  -7.532
  353    HE2  MET  45           HE2      MET  45  10.561  33.540  -5.803
  354    HE3  MET  45           HE3      MET  45  10.270  31.920  -6.492
  355    H    GLY  46           H        GLY  46   7.737  29.288  -9.222
  356    HA2  GLY  46           HA2      GLY  46   7.946  27.482  -6.934
  357    HA3  GLY  46           HA3      GLY  46   7.556  26.701  -8.475
  358    H    LYS  47           H        LYS  47   9.772  25.943  -7.294
  359    HA   LYS  47           HA       LYS  47  11.970  27.258  -8.824
  360    HB2  LYS  47           HB2      LYS  47  12.254  26.706  -6.242
  361    HB3  LYS  47           HB3      LYS  47  12.317  25.034  -6.759
  362    HG2  LYS  47           HG2      LYS  47  14.580  25.710  -6.640
  363    HG3  LYS  47           HG3      LYS  47  14.209  25.720  -8.359
  364    HD2  LYS  47           HD2      LYS  47  15.448  27.709  -7.955
  365    HD3  LYS  47           HD3      LYS  47  13.786  28.247  -8.132
  366    HE2  LYS  47           HE2      LYS  47  13.517  28.494  -5.736
  367    HE3  LYS  47           HE3      LYS  47  15.065  27.698  -5.424
  368    HZ1  LYS  47           HZ1      LYS  47  15.153  30.154  -5.290
  369    HZ2  LYS  47           HZ2      LYS  47  16.208  29.554  -6.374
  370    HZ3  LYS  47           HZ3      LYS  47  14.839  30.266  -6.897
  371    H    TRP  48           H        TRP  48  12.485  26.259 -10.683
  372    HA   TRP  48           HA       TRP  48  11.468  23.546 -11.288
  373    HB2  TRP  48           HB2      TRP  48  11.400  25.380 -12.996
  374    HB3  TRP  48           HB3      TRP  48  13.143  25.490 -12.930
  375    HD1  TRP  48           HD1      TRP  48  12.541  21.928 -12.809
  376    HE1  TRP  48           HE1      TRP  48  12.538  20.783 -15.015
  377    HE3  TRP  48           HE3      TRP  48  12.089  26.078 -15.765
  378    HZ2  TRP  48           HZ2      TRP  48  12.504  21.581 -17.856
  379    HZ3  TRP  48           HZ3      TRP  48  12.046  25.847 -18.234
  380    HH2  TRP  48           HH2      TRP  48  12.263  23.605 -19.286
  381    H    LYS  49           H        LYS  49  12.652  21.993 -10.237
  382    HA   LYS  49           HA       LYS  49  15.519  22.324  -9.663
  383    HB2  LYS  49           HB2      LYS  49  13.330  20.356  -8.858
  384    HB3  LYS  49           HB3      LYS  49  15.038  19.962  -8.656
  385    HG2  LYS  49           HG2      LYS  49  15.400  21.993  -7.327
  386    HG3  LYS  49           HG3      LYS  49  13.676  22.399  -7.439
  387    HD2  LYS  49           HD2      LYS  49  13.053  20.458  -6.157
  388    HD3  LYS  49           HD3      LYS  49  14.678  19.749  -6.304
  389    HE2  LYS  49           HE2      LYS  49  15.649  21.602  -5.024
  390    HE3  LYS  49           HE3      LYS  49  14.057  22.361  -4.861
  391    HZ1  LYS  49           HZ1      LYS  49  13.340  20.414  -3.588
  392    HZ2  LYS  49           HZ2      LYS  49  14.816  19.723  -3.734
  393    HZ3  LYS  49           HZ3      LYS  49  14.638  21.102  -2.887
  394    H    LYS  50           H        LYS  50  15.811  22.525 -12.056
  395    HA   LYS  50           HA       LYS  50  15.131  20.295 -13.810
  396    HB2  LYS  50           HB2      LYS  50  15.320  22.587 -14.683
  397    HB3  LYS  50           HB3      LYS  50  16.963  22.724 -14.060
  398    HG2  LYS  50           HG2      LYS  50  17.082  22.386 -16.421
  399    HG3  LYS  50           HG3      LYS  50  17.704  20.952 -15.591
  400    HD2  LYS  50           HD2      LYS  50  15.699  19.683 -16.102
  401    HD3  LYS  50           HD3      LYS  50  14.903  21.129 -16.735
  402    HE2  LYS  50           HE2      LYS  50  15.719  19.665 -18.546
  403    HE3  LYS  50           HE3      LYS  50  16.448  21.271 -18.599
  404    HZ1  LYS  50           HZ1      LYS  50  17.807  18.896 -17.440
  405    HZ2  LYS  50           HZ2      LYS  50  18.055  19.462 -18.963
  406    HZ3  LYS  50           HZ3      LYS  50  18.469  20.350 -17.650
  407    H    LYS  51           H        LYS  51  16.367  18.376 -14.000
  408    HA   LYS  51           HA       LYS  51  18.971  18.230 -12.630
  409    HB2  LYS  51           HB2      LYS  51  17.372  16.306 -12.672
  410    HB3  LYS  51           HB3      LYS  51  17.623  16.161 -14.421
  411    HG2  LYS  51           HG2      LYS  51  20.050  15.790 -14.047
  412    HG3  LYS  51           HG3      LYS  51  19.830  15.986 -12.305
  413    HD2  LYS  51           HD2      LYS  51  18.537  13.796 -13.990
  414    HD3  LYS  51           HD3      LYS  51  20.029  13.613 -13.055
  415    HE2  LYS  51           HE2      LYS  51  18.794  14.172 -10.965
  416    HE3  LYS  51           HE3      LYS  51  17.292  14.300 -11.892
  417    HZ1  LYS  51           HZ1      LYS  51  17.532  11.955 -12.477
  418    HZ2  LYS  51           HZ2      LYS  51  18.915  11.836 -11.612
  419    HZ3  LYS  51           HZ3      LYS  51  17.504  12.135 -10.859
  420    H    SER  52           H        SER  52  20.866  18.757 -13.666
  421    HA   SER  52           HA       SER  52  21.185  18.733 -16.584
  422    HB2  SER  52           HB2      SER  52  21.058  21.249 -14.874
  423    HB3  SER  52           HB3      SER  52  21.964  21.210 -16.392
  424    HG   SER  52           HG       SER  52  19.905  21.967 -16.735
  425    H    ARG  53           H        ARG  53  23.518  20.148 -16.703
  426    HA   ARG  53           HA       ARG  53  25.724  20.201 -16.371
  427    HB2  ARG  53           HB2      ARG  53  25.471  18.805 -13.698
  428    HB3  ARG  53           HB3      ARG  53  26.811  19.769 -14.299
  429    HG2  ARG  53           HG2      ARG  53  25.255  21.800 -14.186
  430    HG3  ARG  53           HG3      ARG  53  24.097  20.736 -13.352
  431    HD2  ARG  53           HD2      ARG  53  26.190  20.133 -11.842
  432    HD3  ARG  53           HD3      ARG  53  26.846  21.641 -12.456
  433    HE   ARG  53           HE       ARG  53  24.669  22.701 -11.585
  434   HH11  ARG  53          HH11      ARG  53  25.964  19.793  -9.978
  435   HH12  ARG  53          HH12      ARG  53  25.542  20.354  -8.396
  436   HH21  ARG  53          HH21      ARG  53  23.914  23.260  -9.685
  437   HH22  ARG  53          HH22      ARG  53  24.213  22.358  -8.212
  438    H    LYS  54           H        LYS  54  27.645  18.783 -16.398
  439    HA   LYS  54           HA       LYS  54  27.237  16.252 -17.646
  440    HB2  LYS  54           HB2      LYS  54  29.273  17.691 -17.842
  441    HB3  LYS  54           HB3      LYS  54  29.697  17.299 -16.167
  442    HG2  LYS  54           HG2      LYS  54  29.926  14.914 -16.772
  443    HG3  LYS  54           HG3      LYS  54  29.407  15.271 -18.433
  444    HD2  LYS  54           HD2      LYS  54  31.376  16.766 -18.710
  445    HD3  LYS  54           HD3      LYS  54  31.919  16.372 -17.076
  446    HE2  LYS  54           HE2      LYS  54  31.549  14.361 -19.350
  447    HE3  LYS  54           HE3      LYS  54  33.085  15.109 -18.911
  448    HZ1  LYS  54           HZ1      LYS  54  31.506  13.329 -17.148
  449    HZ2  LYS  54           HZ2      LYS  54  32.885  12.941 -17.919
  450    HZ3  LYS  54           HZ3      LYS  54  32.916  14.054 -16.733
  451    H    THR  55           H        THR  55  27.568  17.207 -14.216
  452    HA   THR  55           HA       THR  55  27.921  14.573 -13.188
  453    HB   THR  55           HB       THR  55  27.228  15.920 -11.031
  454    HG1  THR  55           HG1      THR  55  26.365  17.760 -11.743
  455   HG21  THR  55          HG21      THR  55  29.657  16.737 -12.693
  456   HG22  THR  55          HG22      THR  55  29.454  16.963 -10.941
  457   HG23  THR  55          HG23      THR  55  29.553  15.328 -11.613
  458    H    SER  56           H        SER  56  25.095  15.947 -14.591
  459    HA   SER  56           HA       SER  56  22.908  15.534 -14.461
  460    HB2  SER  56           HB2      SER  56  23.726  12.768 -13.504
  461    HB3  SER  56           HB3      SER  56  22.182  13.231 -14.239
  462    HG   SER  56           HG       SER  56  23.656  12.303 -15.747
  463    H    THR  57           H        THR  57  23.233  17.177 -12.708
  464    HA   THR  57           HA       THR  57  22.284  16.255 -10.035
  465    HB   THR  57           HB       THR  57  23.764  18.304  -9.300
  466    HG1  THR  57           HG1      THR  57  24.271  18.806 -11.545
  467   HG21  THR  57          HG21      THR  57  25.755  16.854  -9.056
  468   HG22  THR  57          HG22      THR  57  24.258  16.023  -8.592
  469   HG23  THR  57          HG23      THR  57  25.016  15.668 -10.156
  470    H    ILE  58           H        ILE  58  21.319  18.179  -8.782
  471    HA   ILE  58           HA       ILE  58  19.277  19.273 -10.569
  472    HB   ILE  58           HB       ILE  58  19.628  19.279  -7.563
  473   HG12  ILE  58          HG12      ILE  58  19.117  17.073  -8.609
  474   HG13  ILE  58          HG13      ILE  58  17.874  17.638  -7.506
  475   HG21  ILE  58          HG21      ILE  58  18.377  21.278  -8.054
  476   HG22  ILE  58          HG22      ILE  58  17.332  20.423  -9.195
  477   HG23  ILE  58          HG23      ILE  58  17.245  20.074  -7.446
  478   HD11  ILE  58          HD11      ILE  58  17.694  17.775 -10.550
  479   HD12  ILE  58          HD12      ILE  58  16.954  16.546  -9.517
  480   HD13  ILE  58          HD13      ILE  58  16.419  18.224  -9.394
  481    H    GLU  59           H        GLU  59  19.199  21.192 -11.338
  482    HA   GLU  59           HA       GLU  59  20.878  23.432 -10.320
  483    HB2  GLU  59           HB2      GLU  59  19.804  22.689 -13.082
  484    HB3  GLU  59           HB3      GLU  59  20.131  24.365 -12.671
  485    HG2  GLU  59           HG2      GLU  59  22.245  22.179 -12.434
  486    HG3  GLU  59           HG3      GLU  59  21.986  23.125 -13.893
  487    H    GLU  60           H        GLU  60  19.625  25.352  -9.922
  488    HA   GLU  60           HA       GLU  60  16.713  24.800  -9.521
  489    HB2  GLU  60           HB2      GLU  60  18.783  26.086  -7.697
  490    HB3  GLU  60           HB3      GLU  60  17.037  26.221  -7.449
  491    HG2  GLU  60           HG2      GLU  60  16.835  23.762  -7.419
  492    HG3  GLU  60           HG3      GLU  60  18.588  23.610  -7.576
  493    H    LYS  61           H        LYS  61  15.615  25.971 -10.886
  494    HA   LYS  61           HA       LYS  61  16.542  28.749 -11.577
  495    HB2  LYS  61           HB2      LYS  61  16.646  27.073 -13.395
  496    HB3  LYS  61           HB3      LYS  61  14.952  26.671 -13.134
  497    HG2  LYS  61           HG2      LYS  61  14.441  29.154 -13.687
  498    HG3  LYS  61           HG3      LYS  61  16.113  29.246 -14.251
  499    HD2  LYS  61           HD2      LYS  61  13.918  27.388 -15.266
  500    HD3  LYS  61           HD3      LYS  61  14.553  28.805 -16.104
  501    HE2  LYS  61           HE2      LYS  61  16.794  27.701 -16.237
  502    HE3  LYS  61           HE3      LYS  61  16.125  26.267 -15.444
  503    HZ1  LYS  61           HZ1      LYS  61  14.643  25.972 -17.328
  504    HZ2  LYS  61           HZ2      LYS  61  15.220  27.325 -18.060
  505    HZ3  LYS  61           HZ3      LYS  61  16.187  26.033 -17.849
  506    H    THR  62           H        THR  62  15.209  30.320 -10.706
  507    HA   THR  62           HA       THR  62  12.696  29.570  -9.471
  508    HB   THR  62           HB       THR  62  13.794  32.363  -9.968
  509    HG1  THR  62           HG1      THR  62  15.225  32.048  -8.444
  510   HG21  THR  62          HG21      THR  62  12.180  31.101  -7.700
  511   HG22  THR  62          HG22      THR  62  12.688  32.808  -7.803
  512   HG23  THR  62          HG23      THR  62  11.524  32.152  -8.972
  513    H    VAL  63           H        VAL  63  10.661  29.630 -10.397
  514    HA   VAL  63           HA       VAL  63  10.343  31.062 -12.969
  515    HB   VAL  63           HB       VAL  63   9.310  29.141 -13.991
  516   HG11  VAL  63          HG11      VAL  63  11.790  29.414 -14.256
  517   HG12  VAL  63          HG12      VAL  63  12.018  28.217 -12.975
  518   HG13  VAL  63          HG13      VAL  63  11.197  27.768 -14.479
  519   HG21  VAL  63          HG21      VAL  63   9.374  26.891 -13.067
  520   HG22  VAL  63          HG22      VAL  63  10.127  27.475 -11.569
  521   HG23  VAL  63          HG23      VAL  63   8.461  27.936 -11.979
  522    H    GLU  64           H        GLU  64   8.172  31.349 -13.581
  523    HA   GLU  64           HA       GLU  64   6.126  31.170 -11.394
  524    HB2  GLU  64           HB2      GLU  64   6.537  33.485 -12.241
  525    HB3  GLU  64           HB3      GLU  64   6.193  32.945 -13.885
  526    HG2  GLU  64           HG2      GLU  64   3.885  32.388 -13.262
  527    HG3  GLU  64           HG3      GLU  64   4.232  32.693 -11.560
  528    H    VAL  65           H        VAL  65   4.649  29.534 -11.764
  529    HA   VAL  65           HA       VAL  65   4.671  28.196 -14.393
  530    HB   VAL  65           HB       VAL  65   3.726  26.375 -13.525
  531   HG11  VAL  65          HG11      VAL  65   5.094  27.333 -10.986
  532   HG12  VAL  65          HG12      VAL  65   4.883  25.663 -11.539
  533   HG13  VAL  65          HG13      VAL  65   5.957  26.755 -12.427
  534   HG21  VAL  65          HG21      VAL  65   2.450  26.027 -11.525
  535   HG22  VAL  65          HG22      VAL  65   2.544  27.751 -11.133
  536   HG23  VAL  65          HG23      VAL  65   1.678  27.192 -12.590
  537    H    LEU  66           H        LEU  66   3.138  28.620 -15.885
  538    HA   LEU  66           HA       LEU  66   1.107  30.636 -15.214
  539    HB2  LEU  66           HB2      LEU  66   1.729  29.229 -17.846
  540    HB3  LEU  66           HB3      LEU  66   0.606  30.554 -17.620
  541    HG   LEU  66           HG       LEU  66   2.481  31.550 -18.538
  542   HD11  LEU  66          HD11      LEU  66   1.616  32.786 -16.542
  543   HD12  LEU  66          HD12      LEU  66   2.894  32.036 -15.554
  544   HD13  LEU  66          HD13      LEU  66   3.321  33.117 -16.893
  545   HD21  LEU  66          HD21      LEU  66   4.761  31.278 -17.922
  546   HD22  LEU  66          HD22      LEU  66   4.366  30.307 -16.506
  547   HD23  LEU  66          HD23      LEU  66   4.082  29.659 -18.141
  548    H    GLY  67           H        GLY  67   1.252  27.140 -15.694
  549    HA2  GLY  67           HA2      GLY  67  -1.091  26.431 -14.538
  550    HA3  GLY  67           HA3      GLY  67  -1.550  26.755 -16.226
  551    H    MET  68           H        MET  68  -1.907  24.280 -15.569
  552    HA   MET  68           HA       MET  68   0.350  22.502 -15.979
  553    HB2  MET  68           HB2      MET  68  -2.637  22.064 -16.311
  554    HB3  MET  68           HB3      MET  68  -1.395  20.818 -16.514
  555    HG2  MET  68           HG2      MET  68  -0.607  21.221 -14.184
  556    HG3  MET  68           HG3      MET  68  -1.889  22.416 -13.975
  557    HE1  MET  68           HE1      MET  68  -1.608  18.786 -15.521
  558    HE2  MET  68           HE2      MET  68  -0.950  18.607 -13.880
  559    HE3  MET  68           HE3      MET  68  -2.500  17.843 -14.307
  560    H    ALA  69           H        ALA  69   0.847  21.348 -17.876
  561    HA   ALA  69           HA       ALA  69   0.636  22.799 -20.401
  562    HB1  ALA  69           HB1      ALA  69   1.467  19.919 -19.889
  563    HB2  ALA  69           HB2      ALA  69   1.903  20.916 -21.282
  564    HB3  ALA  69           HB3      ALA  69   2.578  21.306 -19.696
  565    HA   PRO  70           HA       PRO  70  -3.130  20.956 -22.031
  566    HB2  PRO  70           HB2      PRO  70  -1.449  19.626 -24.167
  567    HB3  PRO  70           HB3      PRO  70  -2.995  20.513 -24.345
  568    HG2  PRO  70           HG2      PRO  70  -0.658  21.732 -24.964
  569    HG3  PRO  70           HG3      PRO  70  -1.905  22.622 -24.029
  570    HD2  PRO  70           HD2      PRO  70   0.579  21.237 -23.013
  571    HD3  PRO  70           HD3      PRO  70  -0.085  22.836 -22.555
  572    H    ASP  71           H        ASP  71  -4.316  18.991 -21.910
  573    HA   ASP  71           HA       ASP  71  -3.297  16.890 -20.343
  574    HB2  ASP  71           HB2      ASP  71  -5.308  15.775 -20.665
  575    HB3  ASP  71           HB3      ASP  71  -5.753  17.474 -20.782
  576    H    ASP  72           H        ASP  72  -3.243  17.364 -23.845
  577    HA   ASP  72           HA       ASP  72  -2.597  14.726 -24.644
  578    HB2  ASP  72           HB2      ASP  72  -3.384  16.499 -26.166
  579    HB3  ASP  72           HB3      ASP  72  -1.873  17.384 -25.929
  580    H    GLU  73           H        GLU  73  -0.602  17.213 -23.161
  581    HA   GLU  73           HA       GLU  73   1.947  15.857 -23.831
  582    HB2  GLU  73           HB2      GLU  73   1.318  18.173 -21.938
  583    HB3  GLU  73           HB3      GLU  73   2.921  17.566 -22.307
  584    HG2  GLU  73           HG2      GLU  73   1.008  18.887 -24.278
  585    HG3  GLU  73           HG3      GLU  73   2.422  19.625 -23.540
  586    H    CYS  74           H        CYS  74  -0.534  15.976 -21.324
  587    HA   CYS  74           HA       CYS  74   1.252  14.968 -19.269
  588    HB2  CYS  74           HB2      CYS  74  -1.690  15.717 -19.167
  589    HB3  CYS  74           HB3      CYS  74  -0.677  15.294 -17.776
  590    HG   CYS  74           HG       CYS  74  -0.412  17.812 -19.909
  591    H    LEU  75           H        LEU  75   0.633  13.174 -21.537
  592    HA   LEU  75           HA       LEU  75  -1.297  11.208 -20.669
  593    HB2  LEU  75           HB2      LEU  75   0.384  11.760 -23.036
  594    HB3  LEU  75           HB3      LEU  75   0.429  10.066 -22.630
  595    HG   LEU  75           HG       LEU  75  -1.254  10.498 -24.255
  596   HD11  LEU  75          HD11      LEU  75  -2.646   9.792 -21.633
  597   HD12  LEU  75          HD12      LEU  75  -3.141   9.341 -23.272
  598   HD13  LEU  75          HD13      LEU  75  -1.643   8.684 -22.592
  599   HD21  LEU  75          HD21      LEU  75  -1.812  12.812 -23.716
  600   HD22  LEU  75          HD22      LEU  75  -3.268  11.814 -23.859
  601   HD23  LEU  75          HD23      LEU  75  -2.670  12.296 -22.263
  602    H    LYS  76           H        LYS  76   2.033  11.711 -19.962
  603    HA   LYS  76           HA       LYS  76   2.333   8.931 -18.915
  604    HB2  LYS  76           HB2      LYS  76   4.393  10.579 -20.435
  605    HB3  LYS  76           HB3      LYS  76   4.703   9.014 -19.697
  606    HG2  LYS  76           HG2      LYS  76   2.741   9.501 -21.979
  607    HG3  LYS  76           HG3      LYS  76   4.392   8.909 -22.146
  608    HD2  LYS  76           HD2      LYS  76   3.832   6.909 -20.783
  609    HD3  LYS  76           HD3      LYS  76   2.149   7.467 -20.661
  610    HE2  LYS  76           HE2      LYS  76   1.941   7.417 -23.128
  611    HE3  LYS  76           HE3      LYS  76   3.624   6.895 -23.270
  612    HZ1  LYS  76           HZ1      LYS  76   1.470   5.339 -21.957
  613    HZ2  LYS  76           HZ2      LYS  76   2.108   5.030 -23.425
  614    HZ3  LYS  76           HZ3      LYS  76   3.030   4.860 -22.095
  615    H    ASP  77           H        ASP  77   2.867  12.343 -18.357
  616    HA   ASP  77           HA       ASP  77   3.707  11.909 -15.633
  617    HB2  ASP  77           HB2      ASP  77   5.865  11.787 -16.972
  618    HB3  ASP  77           HB3      ASP  77   5.529  13.407 -17.569
  619    H    MET  78           H        MET  78   3.622  14.119 -14.588
  620    HA   MET  78           HA       MET  78   1.492  15.762 -15.907
  621    HB2  MET  78           HB2      MET  78   2.698  15.824 -13.119
  622    HB3  MET  78           HB3      MET  78   1.467  16.956 -13.699
  623    HG2  MET  78           HG2      MET  78   1.148  13.936 -13.473
  624    HG3  MET  78           HG3      MET  78   0.548  15.120 -12.337
  625    HE1  MET  78           HE1      MET  78  -1.502  13.537 -16.056
  626    HE2  MET  78           HE2      MET  78   0.240  13.856 -16.126
  627    HE3  MET  78           HE3      MET  78  -0.416  12.742 -14.903
  628    H    TYR  79           H        TYR  79   1.862  17.936 -16.525
  629    HA   TYR  79           HA       TYR  79   4.637  18.987 -16.337
  630    HB2  TYR  79           HB2      TYR  79   2.976  18.733 -18.868
  631    HB3  TYR  79           HB3      TYR  79   4.445  19.680 -18.743
  632    HD1  TYR  79           HD1      TYR  79   3.026  16.288 -18.909
  633    HD2  TYR  79           HD2      TYR  79   6.643  18.628 -18.845
  634    HE1  TYR  79           HE1      TYR  79   4.284  14.332 -19.722
  635    HE2  TYR  79           HE2      TYR  79   7.919  16.678 -19.697
  636    HH   TYR  79           HH       TYR  79   6.363  13.489 -20.332
  637    H    VAL  80           H        VAL  80   4.782  21.250 -16.810
  638    HA   VAL  80           HA       VAL  80   2.304  22.845 -16.564
  639    HB   VAL  80           HB       VAL  80   3.584  24.195 -14.782
  640   HG11  VAL  80          HG11      VAL  80   1.558  22.987 -14.228
  641   HG12  VAL  80          HG12      VAL  80   2.463  21.466 -14.033
  642   HG13  VAL  80          HG13      VAL  80   2.724  22.827 -12.918
  643   HG21  VAL  80          HG21      VAL  80   5.130  23.016 -13.324
  644   HG22  VAL  80          HG22      VAL  80   5.021  21.537 -14.301
  645   HG23  VAL  80          HG23      VAL  80   5.776  22.998 -14.969
  646    H    GLU  81           H        GLU  81   2.484  24.864 -17.465
  647    HA   GLU  81           HA       GLU  81   4.821  25.374 -19.207
  648    HB2  GLU  81           HB2      GLU  81   2.186  26.863 -18.782
  649    HB3  GLU  81           HB3      GLU  81   3.486  27.386 -19.865
  650    HG2  GLU  81           HG2      GLU  81   3.279  25.201 -21.099
  651    HG3  GLU  81           HG3      GLU  81   1.882  24.803 -20.097
  652    H    VAL  82           H        VAL  82   6.360  26.943 -18.613
  653    HA   VAL  82           HA       VAL  82   5.893  28.458 -16.119
  654    HB   VAL  82           HB       VAL  82   7.932  27.750 -15.109
  655   HG11  VAL  82          HG11      VAL  82   5.911  26.300 -14.744
  656   HG12  VAL  82          HG12      VAL  82   6.552  25.182 -15.958
  657   HG13  VAL  82          HG13      VAL  82   7.461  25.493 -14.469
  658   HG21  VAL  82          HG21      VAL  82   9.355  25.923 -15.980
  659   HG22  VAL  82          HG22      VAL  82   8.423  25.914 -17.493
  660   HG23  VAL  82          HG23      VAL  82   9.387  27.338 -17.030
  661    H    ALA  83           H        ALA  83   7.244  30.313 -15.881
  662    HA   ALA  83           HA       ALA  83   8.821  31.097 -18.299
  663    HB1  ALA  83           HB1      ALA  83   8.096  33.429 -17.828
  664    HB2  ALA  83           HB2      ALA  83   6.746  32.389 -18.308
  665    HB3  ALA  83           HB3      ALA  83   6.969  32.823 -16.594
  666    H    ASP  84           H        ASP  84  10.824  31.802 -17.781
  667    HA   ASP  84           HA       ASP  84  11.887  31.294 -15.142
  668    HB2  ASP  84           HB2      ASP  84  13.082  30.993 -17.332
  669    HB3  ASP  84           HB3      ASP  84  13.116  32.744 -17.530
  670    H    ILE  85           H        ILE  85  12.156  32.699 -13.455
  671    HA   ILE  85           HA       ILE  85  11.259  35.528 -13.823
  672    HB   ILE  85           HB       ILE  85  11.701  33.979 -11.256
  673   HG12  ILE  85          HG12      ILE  85   9.030  34.739 -12.532
  674   HG13  ILE  85          HG13      ILE  85   9.720  33.125 -12.542
  675   HG21  ILE  85          HG21      ILE  85  11.977  36.489 -11.094
  676   HG22  ILE  85          HG22      ILE  85  10.316  36.659 -11.709
  677   HG23  ILE  85          HG23      ILE  85  10.637  35.883 -10.144
  678   HD11  ILE  85          HD11      ILE  85   8.121  33.195 -10.740
  679   HD12  ILE  85          HD12      ILE  85   9.726  33.146 -10.015
  680   HD13  ILE  85          HD13      ILE  85   8.806  34.670 -10.081
  681    H    GLY  86           H        GLY  86  13.898  33.454 -12.493
  682    HA2  GLY  86           HA2      GLY  86  15.444  35.580 -11.406
  683    HA3  GLY  86           HA3      GLY  86  15.992  33.929 -11.739
  684    H    GLY  87           H        GLY  87  15.348  34.147 -14.631
  685    HA2  GLY  87           HA2      GLY  87  17.210  36.204 -15.691
  686    HA3  GLY  87           HA3      GLY  87  17.549  34.477 -15.966
  687    H    LYS  88           H        LYS  88  14.524  36.421 -15.902
  688    HA   LYS  88           HA       LYS  88  13.186  35.071 -17.911
  689    HB2  LYS  88           HB2      LYS  88  11.640  36.817 -18.035
  690    HB3  LYS  88           HB3      LYS  88  12.172  36.758 -16.360
  691    HG2  LYS  88           HG2      LYS  88  13.015  38.821 -18.438
  692    HG3  LYS  88           HG3      LYS  88  11.833  39.039 -17.155
  693    HD2  LYS  88           HD2      LYS  88  13.637  38.635 -15.455
  694    HD3  LYS  88           HD3      LYS  88  14.830  38.618 -16.762
  695    HE2  LYS  88           HE2      LYS  88  12.958  40.940 -16.117
  696    HE3  LYS  88           HE3      LYS  88  14.628  40.807 -15.564
  697    HZ1  LYS  88           HZ1      LYS  88  13.791  41.001 -18.399
  698    HZ2  LYS  88           HZ2      LYS  88  14.498  42.173 -17.521
  699    HZ3  LYS  88           HZ3      LYS  88  15.339  40.829 -17.889
  700    H    ASP  89           H        ASP  89  12.753  35.400 -20.070
  701    HA   ASP  89           HA       ASP  89  14.479  37.247 -21.624
  702    HB2  ASP  89           HB2      ASP  89  15.452  34.932 -21.599
  703    HB3  ASP  89           HB3      ASP  89  13.957  34.332 -22.319
  704    H    ASP  90           H        ASP  90  11.673  37.278 -20.649
  705    HA   ASP  90           HA       ASP  90   9.517  37.491 -21.249
  706    HB2  ASP  90           HB2      ASP  90  10.552  39.480 -22.267
  707    HB3  ASP  90           HB3      ASP  90  10.696  38.594 -23.792
  708    H    ASP  91           H        ASP  91  10.521  35.003 -21.606
  709    HA   ASP  91           HA       ASP  91   8.910  33.838 -23.820
  710    HB2  ASP  91           HB2      ASP  91  11.321  34.046 -24.484
  711    HB3  ASP  91           HB3      ASP  91  11.752  33.018 -23.113
  712    H    VAL  92           H        VAL  92   8.653  31.454 -23.513
  713    HA   VAL  92           HA       VAL  92   8.222  30.729 -20.665
  714    HB   VAL  92           HB       VAL  92   6.119  30.495 -22.837
  715   HG11  VAL  92          HG11      VAL  92   4.542  30.174 -20.954
  716   HG12  VAL  92          HG12      VAL  92   5.777  28.923 -20.973
  717   HG13  VAL  92          HG13      VAL  92   5.897  30.265 -19.813
  718   HG21  VAL  92          HG21      VAL  92   4.900  32.364 -21.683
  719   HG22  VAL  92          HG22      VAL  92   6.357  32.672 -20.715
  720   HG23  VAL  92          HG23      VAL  92   6.374  32.895 -22.479
  721    H    TYR  93           H        TYR  93   7.941  28.497 -20.371
  722    HA   TYR  93           HA       TYR  93   9.045  26.650 -22.422
  723    HB2  TYR  93           HB2      TYR  93   9.945  26.851 -19.520
  724    HB3  TYR  93           HB3      TYR  93  10.674  25.889 -20.793
  725    HD1  TYR  93           HD1      TYR  93  12.055  26.993 -22.582
  726    HD2  TYR  93           HD2      TYR  93  10.463  29.200 -19.234
  727    HE1  TYR  93           HE1      TYR  93  13.621  28.851 -23.068
  728    HE2  TYR  93           HE2      TYR  93  12.013  31.072 -19.724
  729    HH   TYR  93           HH       TYR  93  13.729  31.853 -21.090
  730    H    THR  94           H        THR  94   9.140  24.401 -21.105
  731    HA   THR  94           HA       THR  94   6.686  24.028 -19.456
  732    HB   THR  94           HB       THR  94   7.445  21.940 -21.506
  733    HG1  THR  94           HG1      THR  94   6.941  23.813 -22.665
  734   HG21  THR  94          HG21      THR  94   5.937  21.288 -19.645
  735   HG22  THR  94          HG22      THR  94   4.813  22.585 -20.109
  736   HG23  THR  94          HG23      THR  94   5.120  21.227 -21.214
  737    H    ALA  95           H        ALA  95   6.988  22.697 -17.759
  738    HA   ALA  95           HA       ALA  95   9.584  21.273 -17.413
  739    HB1  ALA  95           HB1      ALA  95   8.109  22.982 -15.353
  740    HB2  ALA  95           HB2      ALA  95   9.563  22.008 -15.055
  741    HB3  ALA  95           HB3      ALA  95   9.640  23.409 -16.143
  742    H    LYS  96           H        LYS  96   9.283  19.579 -15.621
  743    HA   LYS  96           HA       LYS  96   6.651  18.225 -16.033
  744    HB2  LYS  96           HB2      LYS  96   9.225  17.315 -14.677
  745    HB3  LYS  96           HB3      LYS  96   7.753  16.360 -14.849
  746    HG2  LYS  96           HG2      LYS  96   7.975  16.070 -17.129
  747    HG3  LYS  96           HG3      LYS  96   9.064  17.441 -17.357
  748    HD2  LYS  96           HD2      LYS  96   9.834  14.922 -15.845
  749    HD3  LYS  96           HD3      LYS  96  10.125  15.182 -17.577
  750    HE2  LYS  96           HE2      LYS  96  11.443  17.232 -17.036
  751    HE3  LYS  96           HE3      LYS  96  11.210  16.914 -15.316
  752    HZ1  LYS  96           HZ1      LYS  96  12.646  15.134 -17.201
  753    HZ2  LYS  96           HZ2      LYS  96  13.338  16.090 -16.077
  754    HZ3  LYS  96           HZ3      LYS  96  12.423  14.821 -15.612
  755    H    LEU  97           H        LEU  97   5.287  17.958 -14.209
  756    HA   LEU  97           HA       LEU  97   5.650  19.718 -11.939
  757    HB2  LEU  97           HB2      LEU  97   3.440  18.615 -12.799
  758    HB3  LEU  97           HB3      LEU  97   3.994  17.183 -11.921
  759    HG   LEU  97           HG       LEU  97   4.096  18.591  -9.811
  760   HD11  LEU  97          HD11      LEU  97   2.784  20.654 -11.649
  761   HD12  LEU  97          HD12      LEU  97   2.731  20.743  -9.888
  762   HD13  LEU  97          HD13      LEU  97   4.283  20.857 -10.714
  763   HD21  LEU  97          HD21      LEU  97   1.400  18.495 -11.226
  764   HD22  LEU  97          HD22      LEU  97   2.155  17.148 -10.344
  765   HD23  LEU  97          HD23      LEU  97   1.662  18.605  -9.471
  766    H    SER  98           H        SER  98   6.558  16.433 -12.802
  767    HA   SER  98           HA       SER  98   7.611  15.461 -10.390
  768    HB2  SER  98           HB2      SER  98   8.230  14.933 -13.322
  769    HB3  SER  98           HB3      SER  98   8.853  13.950 -12.006
  770    HG   SER  98           HG       SER  98   6.474  13.765 -13.168
  771    H    ASP  99           H        ASP  99   8.935  18.103 -12.305
  772    HA   ASP  99           HA       ASP  99  11.316  17.958 -10.586
  773    HB2  ASP  99           HB2      ASP  99  12.874  18.371 -12.179
  774    HB3  ASP  99           HB3      ASP  99  11.882  17.090 -12.864
  775    H    ILE 100           H        ILE 100   8.707  19.428 -10.663
  776    HA   ILE 100           HA       ILE 100   9.837  22.147 -10.174
  777    HB   ILE 100           HB       ILE 100   7.222  21.172 -11.275
  778   HG12  ILE 100          HG12      ILE 100   9.240  22.276 -12.488
  779   HG13  ILE 100          HG13      ILE 100   7.585  22.701 -12.940
  780   HG21  ILE 100          HG21      ILE 100   7.296  23.743  -9.652
  781   HG22  ILE 100          HG22      ILE 100   6.028  23.271 -10.805
  782   HG23  ILE 100          HG23      ILE 100   6.302  22.298  -9.361
  783   HD11  ILE 100          HD11      ILE 100   7.740  24.823 -11.839
  784   HD12  ILE 100          HD12      ILE 100   9.298  24.387 -11.095
  785   HD13  ILE 100          HD13      ILE 100   9.170  24.601 -12.857
  786    H    GLU 101           H        GLU 101   9.297  23.104  -8.296
  787    HA   GLU 101           HA       GLU 101   7.645  21.660  -6.328
  788    HB2  GLU 101           HB2      GLU 101   9.971  21.078  -5.743
  789    HB3  GLU 101           HB3      GLU 101  10.433  22.780  -5.781
  790    HG2  GLU 101           HG2      GLU 101  10.141  21.998  -3.480
  791    HG3  GLU 101           HG3      GLU 101   8.986  23.262  -3.855
  792    H    ALA 102           H        ALA 102   6.339  23.142  -5.184
  793    HA   ALA 102           HA       ALA 102   6.167  25.788  -6.463
  794    HB1  ALA 102           HB1      ALA 102   4.070  24.635  -6.087
  795    HB2  ALA 102           HB2      ALA 102   4.440  24.434  -4.353
  796    HB3  ALA 102           HB3      ALA 102   4.149  26.045  -5.052
  797    H    ILE 103           H        ILE 103   6.157  27.734  -5.313
  798    HA   ILE 103           HA       ILE 103   7.441  27.752  -2.611
  799    HB   ILE 103           HB       ILE 103   7.724  29.677  -4.948
  800   HG12  ILE 103          HG12      ILE 103   9.935  28.044  -3.618
  801   HG13  ILE 103          HG13      ILE 103   9.087  27.488  -5.050
  802   HG21  ILE 103          HG21      ILE 103   7.715  30.902  -2.793
  803   HG22  ILE 103          HG22      ILE 103   8.993  29.832  -2.177
  804   HG23  ILE 103          HG23      ILE 103   9.307  30.943  -3.529
  805   HD11  ILE 103          HD11      ILE 103   9.775  29.580  -6.255
  806   HD12  ILE 103          HD12      ILE 103  10.813  29.979  -4.863
  807   HD13  ILE 103          HD13      ILE 103  11.098  28.508  -5.798
  808    H    ASP 104           H        ASP 104   6.326  28.737  -1.094
  809    HA   ASP 104           HA       ASP 104   4.630  29.683   0.028
  810    HB2  ASP 104           HB2      ASP 104   6.155  31.518  -0.560
  811    HB3  ASP 104           HB3      ASP 104   5.169  31.886  -1.977
  812    H    VAL 105           H        VAL 105   3.505  27.846  -1.651
  813    HA   VAL 105           HA       VAL 105   1.147  29.184  -2.871
  814    HB   VAL 105           HB       VAL 105   2.697  27.565  -4.137
  815   HG11  VAL 105          HG11      VAL 105   2.079  25.199  -4.102
  816   HG12  VAL 105          HG12      VAL 105   2.800  25.705  -2.560
  817   HG13  VAL 105          HG13      VAL 105   1.052  25.475  -2.703
  818   HG21  VAL 105          HG21      VAL 105  -0.264  27.094  -4.367
  819   HG22  VAL 105          HG22      VAL 105   0.599  28.529  -4.960
  820   HG23  VAL 105          HG23      VAL 105   1.010  26.945  -5.603
  821    H    ASP 106           H        ASP 106  -0.933  27.682  -2.681
  822    HA   ASP 106           HA       ASP 106  -1.589  27.675   0.142
  823    HB2  ASP 106           HB2      ASP 106  -3.660  27.888  -0.538
  824    HB3  ASP 106           HB3      ASP 106  -3.065  28.031  -2.188
  825    H    ASP 107           H        ASP 107  -2.555  25.832   1.229
  826    HA   ASP 107           HA       ASP 107  -0.762  23.700   1.358
  827    HB2  ASP 107           HB2      ASP 107  -2.180  24.405   3.221
  828    HB3  ASP 107           HB3      ASP 107  -3.630  23.906   2.345
  829    H    ASP 108           H        ASP 108  -3.843  23.899  -0.529
  830    HA   ASP 108           HA       ASP 108  -3.921  21.025  -0.876
  831    HB2  ASP 108           HB2      ASP 108  -5.861  22.775  -0.855
  832    HB3  ASP 108           HB3      ASP 108  -5.446  23.029  -2.554
  833    H    THR 109           H        THR 109  -2.847  23.847  -2.848
  834    HA   THR 109           HA       THR 109  -2.059  22.401  -5.183
  835    HB   THR 109           HB       THR 109  -0.808  24.939  -3.956
  836    HG1  THR 109           HG1      THR 109  -2.983  25.236  -4.201
  837   HG21  THR 109          HG21      THR 109  -0.857  23.851  -6.797
  838   HG22  THR 109          HG22      THR 109  -0.434  25.496  -6.382
  839   HG23  THR 109          HG23      THR 109   0.570  24.166  -5.782
  840    H    GLN 110           H        GLN 110  -0.265  23.269  -2.147
  841    HA   GLN 110           HA       GLN 110   2.138  22.076  -3.034
  842    HB2  GLN 110           HB2      GLN 110   1.942  23.789  -1.239
  843    HB3  GLN 110           HB3      GLN 110   1.175  22.597  -0.191
  844    HG2  GLN 110           HG2      GLN 110   3.534  22.894   0.339
  845    HG3  GLN 110           HG3      GLN 110   3.215  21.241  -0.194
  846   HE21  GLN 110          HE21      GLN 110   4.078  20.541  -2.288
  847   HE22  GLN 110          HE22      GLN 110   5.427  21.439  -3.007
  848    H    GLU 111           H        GLU 111  -0.595  20.706  -1.124
  849    HA   GLU 111           HA       GLU 111   0.651  18.194  -0.611
  850    HB2  GLU 111           HB2      GLU 111  -2.217  19.180  -0.714
  851    HB3  GLU 111           HB3      GLU 111  -1.899  17.458  -0.573
  852    HG2  GLU 111           HG2      GLU 111  -0.761  19.533   1.333
  853    HG3  GLU 111           HG3      GLU 111  -2.247  18.621   1.615
  854    H    ALA 112           H        ALA 112  -1.313  19.338  -3.408
  855    HA   ALA 112           HA       ALA 112  -1.509  16.752  -4.637
  856    HB1  ALA 112           HB1      ALA 112  -1.998  18.046  -6.698
  857    HB2  ALA 112           HB2      ALA 112  -2.909  18.645  -5.297
  858    HB3  ALA 112           HB3      ALA 112  -1.486  19.537  -5.875
  859    H    ILE 113           H        ILE 113   0.926  19.371  -4.886
  860    HA   ILE 113           HA       ILE 113   2.579  18.104  -6.831
  861    HB   ILE 113           HB       ILE 113   3.120  20.172  -4.680
  862   HG12  ILE 113          HG12      ILE 113   2.937  20.596  -7.682
  863   HG13  ILE 113          HG13      ILE 113   1.494  20.610  -6.679
  864   HG21  ILE 113          HG21      ILE 113   4.961  19.264  -6.933
  865   HG22  ILE 113          HG22      ILE 113   5.192  20.752  -5.992
  866   HG23  ILE 113          HG23      ILE 113   5.266  19.201  -5.179
  867   HD11  ILE 113          HD11      ILE 113   3.851  22.477  -6.418
  868   HD12  ILE 113          HD12      ILE 113   2.198  22.867  -6.937
  869   HD13  ILE 113          HD13      ILE 113   2.503  22.396  -5.254
  870    H    ALA 114           H        ALA 114   2.846  18.160  -3.213
  871    HA   ALA 114           HA       ALA 114   5.162  16.551  -3.075
  872    HB1  ALA 114           HB1      ALA 114   4.336  17.921  -1.196
  873    HB2  ALA 114           HB2      ALA 114   2.900  16.879  -1.050
  874    HB3  ALA 114           HB3      ALA 114   4.515  16.223  -0.711
  875    H    ASP 115           H        ASP 115   1.703  15.704  -3.072
  876    HA   ASP 115           HA       ASP 115   1.972  12.923  -2.558
  877    HB2  ASP 115           HB2      ASP 115  -0.104  14.261  -2.364
  878    HB3  ASP 115           HB3      ASP 115  -0.202  14.348  -4.126
  879    H    TRP 116           H        TRP 116   1.897  14.778  -5.650
  880    HA   TRP 116           HA       TRP 116   2.062  12.462  -7.343
  881    HB2  TRP 116           HB2      TRP 116   1.226  14.612  -8.144
  882    HB3  TRP 116           HB3      TRP 116   2.772  15.387  -7.789
  883    HD1  TRP 116           HD1      TRP 116   4.611  15.265  -9.587
  884    HE1  TRP 116           HE1      TRP 116   4.987  14.024 -11.779
  885    HE3  TRP 116           HE3      TRP 116   0.419  12.314  -9.573
  886    HZ2  TRP 116           HZ2      TRP 116   3.608  12.063 -13.379
  887    HZ3  TRP 116           HZ3      TRP 116   0.002  10.736 -11.435
  888    HH2  TRP 116           HH2      TRP 116   1.590  10.594 -13.346
  889    H    LEU 117           H        LEU 117   4.492  14.548  -5.694
  890    HA   LEU 117           HA       LEU 117   6.700  13.571  -7.256
  891    HB2  LEU 117           HB2      LEU 117   6.473  15.034  -4.607
  892    HB3  LEU 117           HB3      LEU 117   8.034  14.514  -5.226
  893    HG   LEU 117           HG       LEU 117   6.164  16.256  -6.884
  894   HD11  LEU 117          HD11      LEU 117   7.493  18.179  -6.128
  895   HD12  LEU 117          HD12      LEU 117   6.680  17.391  -4.765
  896   HD13  LEU 117          HD13      LEU 117   8.418  17.130  -5.026
  897   HD21  LEU 117          HD21      LEU 117   9.168  15.758  -7.048
  898   HD22  LEU 117          HD22      LEU 117   7.947  15.097  -8.151
  899   HD23  LEU 117          HD23      LEU 117   8.221  16.842  -8.090
  900    H    TYR 118           H        TYR 118   5.358  12.547  -4.023
  901    HA   TYR 118           HA       TYR 118   7.423  10.502  -3.909
  902    HB2  TYR 118           HB2      TYR 118   6.502   9.649  -1.997
  903    HB3  TYR 118           HB3      TYR 118   6.430  11.387  -1.862
  904    HD1  TYR 118           HD1      TYR 118   4.315   8.401  -2.791
  905    HD2  TYR 118           HD2      TYR 118   4.444  12.343  -1.042
  906    HE1  TYR 118           HE1      TYR 118   1.954   8.173  -2.136
  907    HE2  TYR 118           HE2      TYR 118   2.102  12.095  -0.310
  908    HH   TYR 118           HH       TYR 118   0.167   9.155  -1.052
  909    H    TRP 119           H        TRP 119   4.077  10.598  -5.256
  910    HA   TRP 119           HA       TRP 119   3.861   7.830  -5.818
  911    HB2  TRP 119           HB2      TRP 119   1.967   9.156  -6.046
  912    HB3  TRP 119           HB3      TRP 119   2.773  10.338  -7.060
  913    HD1  TRP 119           HD1      TRP 119   3.255   9.657  -9.637
  914    HE1  TRP 119           HE1      TRP 119   1.900   8.250 -11.258
  915    HE3  TRP 119           HE3      TRP 119   0.352   7.137  -6.253
  916    HZ2  TRP 119           HZ2      TRP 119  -0.389   6.469 -11.131
  917    HZ3  TRP 119           HZ3      TRP 119  -1.471   5.654  -7.043
  918    HH2  TRP 119           HH2      TRP 119  -1.888   5.355  -9.470
  919    H    LEU 120           H        LEU 120   5.547  10.405  -7.681
  920    HA   LEU 120           HA       LEU 120   6.429   8.782  -9.831
  921    HB2  LEU 120           HB2      LEU 120   6.684  11.276  -9.651
  922    HB3  LEU 120           HB3      LEU 120   7.900  11.026  -8.405
  923    HG   LEU 120           HG       LEU 120   9.253   9.687 -10.134
  924   HD11  LEU 120          HD11      LEU 120   7.487   9.298 -11.801
  925   HD12  LEU 120          HD12      LEU 120   7.264  11.050 -12.010
  926   HD13  LEU 120          HD13      LEU 120   8.780  10.270 -12.507
  927   HD21  LEU 120          HD21      LEU 120   8.699  12.656 -10.352
  928   HD22  LEU 120          HD22      LEU 120   9.956  11.850  -9.408
  929   HD23  LEU 120          HD23      LEU 120  10.064  11.853 -11.176
  930    H    ALA 121           H        ALA 121   7.905   9.364  -6.585
  931    HA   ALA 121           HA       ALA 121  10.100   7.577  -6.994
  932    HB1  ALA 121           HB1      ALA 121  10.464   7.808  -4.586
  933    HB2  ALA 121           HB2      ALA 121  10.133   9.387  -5.324
  934    HB3  ALA 121           HB3      ALA 121   8.872   8.557  -4.386
  935    H    ARG 122           H        ARG 122   6.716   6.915  -6.018
  936    HA   ARG 122           HA       ARG 122   7.236   4.261  -5.021
  937    HB2  ARG 122           HB2      ARG 122   4.725   5.372  -6.326
  938    HB3  ARG 122           HB3      ARG 122   4.861   3.825  -5.480
  939    HG2  ARG 122           HG2      ARG 122   5.447   5.018  -3.409
  940    HG3  ARG 122           HG3      ARG 122   5.167   6.551  -4.250
  941    HD2  ARG 122           HD2      ARG 122   3.109   6.329  -3.346
  942    HD3  ARG 122           HD3      ARG 122   2.822   5.405  -4.827
  943    HE   ARG 122           HE       ARG 122   3.734   4.183  -2.238
  944   HH11  ARG 122          HH11      ARG 122   1.280   4.189  -4.825
  945   HH12  ARG 122          HH12      ARG 122   0.440   2.808  -4.168
  946   HH21  ARG 122          HH21      ARG 122   2.677   2.520  -1.420
  947   HH22  ARG 122          HH22      ARG 122   1.184   1.878  -2.094
  948    H    GLY 123           H        GLY 123   7.417   5.574  -8.224
  949    HA2  GLY 123           HA2      GLY 123   7.861   4.508 -10.221
  950    HA3  GLY 123           HA3      GLY 123   7.831   2.928  -9.411
  951    H    TYR 124           H        TYR 124   5.316   5.477  -9.288
  952    HA   TYR 124           HA       TYR 124   3.146   5.600  -9.883
  953    HB2  TYR 124           HB2      TYR 124   4.605   4.363 -12.195
  954    HB3  TYR 124           HB3      TYR 124   2.883   4.490 -12.327
  955    HD1  TYR 124           HD1      TYR 124   4.772   7.254 -10.648
  956    HD2  TYR 124           HD2      TYR 124   3.003   5.700 -14.264
  957    HE1  TYR 124           HE1      TYR 124   5.107   9.447 -11.753
  958    HE2  TYR 124           HE2      TYR 124   3.389   7.851 -15.387
  959    HH   TYR 124           HH       TYR 124   4.404   9.861 -15.284
  960    H    LYS 125           H        LYS 125   1.358   4.177 -11.189
  961    HA   LYS 125           HA       LYS 125   1.273   1.404 -10.131
  962    HB2  LYS 125           HB2      LYS 125  -1.104   3.309 -10.195
  963    HB3  LYS 125           HB3      LYS 125  -1.187   1.610  -9.778
  964    HG2  LYS 125           HG2      LYS 125   0.478   3.625  -8.217
  965    HG3  LYS 125           HG3      LYS 125  -1.215   3.308  -7.863
  966    HD2  LYS 125           HD2      LYS 125   0.935   1.153  -7.759
  967    HD3  LYS 125           HD3      LYS 125   0.380   2.122  -6.386
  968    HE2  LYS 125           HE2      LYS 125  -2.013   1.334  -7.026
  969    HE3  LYS 125           HE3      LYS 125  -1.206   0.091  -7.992
  970    HZ1  LYS 125           HZ1      LYS 125  -0.925   0.528  -5.066
  971    HZ2  LYS 125           HZ2      LYS 125  -1.722  -0.707  -5.781
  972    HZ3  LYS 125           HZ3      LYS 125  -0.098  -0.626  -5.914
  973    H    PHE 126           H        PHE 126  -0.099   3.809 -12.468
  974    HA   PHE 126           HA       PHE 126  -0.933   1.717 -14.295
  975    HB2  PHE 126           HB2      PHE 126  -1.444   3.467 -15.835
  976    HB3  PHE 126           HB3      PHE 126  -2.141   3.796 -14.271
  977    HD1  PHE 126           HD2      PHE 126   0.450   4.854 -16.714
  978    HD2  PHE 126           HD1      PHE 126  -1.626   5.819 -13.060
  979    HE1  PHE 126           HE2      PHE 126   1.266   7.192 -16.864
  980    HE2  PHE 126           HE1      PHE 126  -0.777   8.151 -13.197
  981    HZ   PHE 126           HZ       PHE 126   0.658   8.843 -15.105
  Start of MODEL    8
    1    H1   MET   1           H1       MET   1  11.987  -0.588  -0.026
    2    H2   MET   1           H2       MET   1  11.595  -0.536   1.557
    3    H3   MET   1           H3       MET   1  11.455  -1.945   0.720
    4    HA   MET   1           HA       MET   1   9.728  -1.001  -0.665
    5    HB2  MET   1           HB2      MET   1   9.213  -0.826   2.338
    6    HB3  MET   1           HB3      MET   1   7.954  -0.653   1.119
    7    HG2  MET   1           HG2      MET   1   9.685  -3.110   1.561
    8    HG3  MET   1           HG3      MET   1   8.001  -2.922   2.015
    9    HE1  MET   1           HE1      MET   1   6.498  -1.651  -0.456
   10    HE2  MET   1           HE2      MET   1   6.055  -3.126  -1.336
   11    HE3  MET   1           HE3      MET   1   5.963  -3.094   0.437
   12    H    ALA   2           H        ALA   2   8.712   0.802  -1.484
   13    HA   ALA   2           HA       ALA   2   9.827   3.412  -0.801
   14    HB1  ALA   2           HB1      ALA   2   9.505   2.737  -3.154
   15    HB2  ALA   2           HB2      ALA   2   7.749   2.614  -2.884
   16    HB3  ALA   2           HB3      ALA   2   8.572   4.186  -2.747
   17    H    SER   3           H        SER   3   8.760   2.788   1.471
   18    HA   SER   3           HA       SER   3   5.961   3.174   1.854
   19    HB2  SER   3           HB2      SER   3   8.220   3.331   3.889
   20    HB3  SER   3           HB3      SER   3   6.525   2.903   4.191
   21    HG   SER   3           HG       SER   3   7.851   1.056   4.072
   22    H    VAL   4           H        VAL   4   7.448   5.433   0.544
   23    HA   VAL   4           HA       VAL   4   7.653   7.692   2.263
   24    HB   VAL   4           HB       VAL   4   8.693   7.244  -0.036
   25   HG11  VAL   4          HG11      VAL   4   6.068   8.274  -1.114
   26   HG12  VAL   4          HG12      VAL   4   7.529   7.866  -2.027
   27   HG13  VAL   4          HG13      VAL   4   6.623   6.591  -1.198
   28   HG21  VAL   4          HG21      VAL   4   8.780   9.589  -0.694
   29   HG22  VAL   4          HG22      VAL   4   7.368   9.960   0.318
   30   HG23  VAL   4          HG23      VAL   4   8.892   9.439   1.067
   31    H    GLU   5           H        GLU   5   4.879   6.108   0.867
   32    HA   GLU   5           HA       GLU   5   3.070   8.223   0.537
   33    HB2  GLU   5           HB2      GLU   5   1.337   6.498   0.640
   34    HB3  GLU   5           HB3      GLU   5   2.715   5.977  -0.330
   35    HG2  GLU   5           HG2      GLU   5   3.548   4.647   1.650
   36    HG3  GLU   5           HG3      GLU   5   2.085   5.105   2.524
   37    H    ARG   6           H        ARG   6   1.391   9.105   1.844
   38    HA   ARG   6           HA       ARG   6   2.165   9.754   4.472
   39    HB2  ARG   6           HB2      ARG   6   0.766  11.029   2.786
   40    HB3  ARG   6           HB3      ARG   6  -0.563   9.917   3.120
   41    HG2  ARG   6           HG2      ARG   6  -0.439  10.730   5.570
   42    HG3  ARG   6           HG3      ARG   6   0.692  11.974   4.971
   43    HD2  ARG   6           HD2      ARG   6  -1.203  12.246   3.091
   44    HD3  ARG   6           HD3      ARG   6  -2.229  11.521   4.312
   45    HE   ARG   6           HE       ARG   6  -2.024  13.421   5.683
   46   HH11  ARG   6          HH11      ARG   6   0.042  13.787   2.827
   47   HH12  ARG   6          HH12      ARG   6  -0.176  15.514   2.725
   48   HH21  ARG   6          HH21      ARG   6  -2.059  15.770   5.680
   49   HH22  ARG   6          HH22      ARG   6  -1.221  16.634   4.414
   50    H    ASP   7           H        ASP   7  -0.508   7.660   3.277
   51    HA   ASP   7           HA       ASP   7  -0.555   5.794   5.436
   52    HB2  ASP   7           HB2      ASP   7  -1.504   7.757   6.670
   53    HB3  ASP   7           HB3      ASP   7  -2.665   8.014   5.369
   54    H    GLU   8           H        GLU   8  -2.411   4.259   4.965
   55    HA   GLU   8           HA       GLU   8  -2.871   3.772   2.225
   56    HB2  GLU   8           HB2      GLU   8  -4.421   2.859   4.683
   57    HB3  GLU   8           HB3      GLU   8  -4.639   2.208   3.052
   58    HG2  GLU   8           HG2      GLU   8  -2.251   1.512   3.007
   59    HG3  GLU   8           HG3      GLU   8  -2.050   2.099   4.660
   60    H    THR   9           H        THR   9  -4.622   5.950   4.421
   61    HA   THR   9           HA       THR   9  -6.994   6.340   2.984
   62    HB   THR   9           HB       THR   9  -5.219   8.419   4.291
   63    HG1  THR   9           HG1      THR   9  -5.640   6.863   5.741
   64   HG21  THR   9          HG21      THR   9  -6.997   9.520   3.016
   65   HG22  THR   9          HG22      THR   9  -8.219   8.440   3.725
   66   HG23  THR   9          HG23      THR   9  -7.358   9.622   4.742
   67    H    ARG  10           H        ARG  10  -3.666   7.484   2.062
   68    HA   ARG  10           HA       ARG  10  -4.753   9.119  -0.086
   69    HB2  ARG  10           HB2      ARG  10  -1.952   8.160   0.614
   70    HB3  ARG  10           HB3      ARG  10  -2.276   8.959  -0.921
   71    HG2  ARG  10           HG2      ARG  10  -2.991  10.210   1.763
   72    HG3  ARG  10           HG3      ARG  10  -1.456  10.485   0.923
   73    HD2  ARG  10           HD2      ARG  10  -2.569  11.468  -0.986
   74    HD3  ARG  10           HD3      ARG  10  -4.156  11.063  -0.361
   75    HE   ARG  10           HE       ARG  10  -4.079  12.756   1.189
   76   HH11  ARG  10          HH11      ARG  10  -1.033  12.733  -0.699
   77   HH12  ARG  10          HH12      ARG  10  -0.629  14.360  -0.231
   78   HH21  ARG  10          HH21      ARG  10  -3.523  14.913   1.696
   79   HH22  ARG  10          HH22      ARG  10  -1.978  15.554   1.216
   80    H    GLU  11           H        GLU  11  -3.571   5.752   0.136
   81    HA   GLU  11           HA       GLU  11  -3.718   5.195  -2.640
   82    HB2  GLU  11           HB2      GLU  11  -4.360   3.265  -0.364
   83    HB3  GLU  11           HB3      GLU  11  -3.896   2.851  -2.006
   84    HG2  GLU  11           HG2      GLU  11  -2.135   4.259   0.047
   85    HG3  GLU  11           HG3      GLU  11  -2.038   2.566  -0.428
   86    H    HIS  12           H        HIS  12  -6.215   4.998  -0.047
   87    HA   HIS  12           HA       HIS  12  -8.314   4.131  -1.774
   88    HB2  HIS  12           HB2      HIS  12  -8.409   5.681   0.844
   89    HB3  HIS  12           HB3      HIS  12  -9.821   5.030   0.019
   90    HD1  HIS  12           HD1      HIS  12  -9.392   2.136  -0.526
   91    HD2  HIS  12           HD2      HIS  12  -7.613   4.089   2.753
   92    HE1  HIS  12           HE1      HIS  12  -8.800   0.322   1.153
   93    H    ARG  13           H        ARG  13  -7.287   7.499  -0.850
   94    HA   ARG  13           HA       ARG  13  -9.395   8.772  -2.325
   95    HB2  ARG  13           HB2      ARG  13  -6.601   9.720  -1.549
   96    HB3  ARG  13           HB3      ARG  13  -7.794  10.762  -2.312
   97    HG2  ARG  13           HG2      ARG  13  -8.304   9.342   0.337
   98    HG3  ARG  13           HG3      ARG  13  -7.603  10.959   0.204
   99    HD2  ARG  13           HD2      ARG  13  -9.621  11.762  -0.947
  100    HD3  ARG  13           HD3      ARG  13 -10.338  10.139  -0.861
  101    HE   ARG  13           HE       ARG  13  -9.618  10.871   1.755
  102   HH11  ARG  13          HH11      ARG  13 -11.904  11.959  -0.747
  103   HH12  ARG  13          HH12      ARG  13 -13.075  12.539   0.397
  104   HH21  ARG  13          HH21      ARG  13 -11.173  11.652   3.263
  105   HH22  ARG  13          HH22      ARG  13 -12.642  12.362   2.717
  106    H    ILE  14           H        ILE  14  -6.078   7.794  -3.332
  107    HA   ILE  14           HA       ILE  14  -6.181   8.795  -5.967
  108    HB   ILE  14           HB       ILE  14  -4.767   6.456  -4.659
  109   HG12  ILE  14          HG12      ILE  14  -3.580   8.974  -5.877
  110   HG13  ILE  14          HG13      ILE  14  -4.163   8.944  -4.220
  111   HG21  ILE  14          HG21      ILE  14  -5.033   5.762  -6.984
  112   HG22  ILE  14          HG22      ILE  14  -4.414   7.334  -7.554
  113   HG23  ILE  14          HG23      ILE  14  -3.363   6.197  -6.680
  114   HD11  ILE  14          HD11      ILE  14  -1.788   8.584  -4.195
  115   HD12  ILE  14          HD12      ILE  14  -2.574   7.069  -3.718
  116   HD13  ILE  14          HD13      ILE  14  -1.899   7.253  -5.355
  117    H    GLU  15           H        GLU  15  -7.081   5.551  -4.730
  118    HA   GLU  15           HA       GLU  15  -7.992   4.524  -7.159
  119    HB2  GLU  15           HB2      GLU  15  -7.388   3.148  -5.270
  120    HB3  GLU  15           HB3      GLU  15  -8.642   3.866  -4.252
  121    HG2  GLU  15           HG2      GLU  15 -10.401   2.842  -5.561
  122    HG3  GLU  15           HG3      GLU  15  -9.231   2.231  -6.743
  123    H    THR  16           H        THR  16  -9.834   6.390  -4.711
  124    HA   THR  16           HA       THR  16 -12.327   5.826  -6.187
  125    HB   THR  16           HB       THR  16 -13.435   6.706  -4.166
  126    HG1  THR  16           HG1      THR  16 -10.836   6.722  -3.031
  127   HG21  THR  16          HG21      THR  16 -12.971   4.295  -4.398
  128   HG22  THR  16          HG22      THR  16 -11.400   4.504  -3.599
  129   HG23  THR  16          HG23      THR  16 -12.905   4.818  -2.708
  130    H    GLU  17           H        GLU  17 -10.136   8.504  -5.973
  131    HA   GLU  17           HA       GLU  17 -12.221  10.227  -7.236
  132    HB2  GLU  17           HB2      GLU  17 -10.247  11.038  -5.064
  133    HB3  GLU  17           HB3      GLU  17 -11.278  12.138  -5.974
  134    HG2  GLU  17           HG2      GLU  17 -13.294  10.873  -5.148
  135    HG3  GLU  17           HG3      GLU  17 -12.223   9.944  -4.093
  136    H    ILE  18           H        ILE  18  -8.937   9.046  -7.532
  137    HA   ILE  18           HA       ILE  18  -8.344  11.308  -9.397
  138    HB   ILE  18           HB       ILE  18  -6.375   9.414  -8.088
  139   HG12  ILE  18          HG12      ILE  18  -7.343  12.194  -7.306
  140   HG13  ILE  18          HG13      ILE  18  -7.400  10.738  -6.331
  141   HG21  ILE  18          HG21      ILE  18  -5.933  12.025  -9.585
  142   HG22  ILE  18          HG22      ILE  18  -4.685  10.965  -8.893
  143   HG23  ILE  18          HG23      ILE  18  -5.638  10.410 -10.257
  144   HD11  ILE  18          HD11      ILE  18  -4.876  10.760  -6.263
  145   HD12  ILE  18          HD12      ILE  18  -4.934  12.361  -7.034
  146   HD13  ILE  18          HD13      ILE  18  -5.677  12.115  -5.447
  147    H    ILE  19           H        ILE  19  -8.013   7.701  -9.126
  148    HA   ILE  19           HA       ILE  19  -8.055   7.601 -12.113
  149    HB   ILE  19           HB       ILE  19  -6.744   5.580 -11.905
  150   HG12  ILE  19          HG12      ILE  19  -6.319   6.384  -8.997
  151   HG13  ILE  19          HG13      ILE  19  -7.438   5.101  -9.498
  152   HG21  ILE  19          HG21      ILE  19  -5.779   7.841 -12.383
  153   HG22  ILE  19          HG22      ILE  19  -5.416   8.028 -10.655
  154   HG23  ILE  19          HG23      ILE  19  -4.636   6.751 -11.602
  155   HD11  ILE  19          HD11      ILE  19  -4.449   5.201  -9.931
  156   HD12  ILE  19          HD12      ILE  19  -5.377   4.096  -8.878
  157   HD13  ILE  19          HD13      ILE  19  -5.539   3.987 -10.656
  158    H    VAL  20           H        VAL  20 -10.275   7.334  -9.861
  159    HA   VAL  20           HA       VAL  20 -11.348   4.793  -9.926
  160    HB   VAL  20           HB       VAL  20 -11.984   6.714  -8.523
  161   HG11  VAL  20          HG11      VAL  20 -12.239   8.490 -10.214
  162   HG12  VAL  20          HG12      VAL  20 -13.712   7.693 -10.816
  163   HG13  VAL  20          HG13      VAL  20 -13.655   8.339  -9.170
  164   HG21  VAL  20          HG21      VAL  20 -13.363   4.681  -8.554
  165   HG22  VAL  20          HG22      VAL  20 -14.326   6.130  -8.224
  166   HG23  VAL  20          HG23      VAL  20 -14.377   5.383  -9.834
  167    H    ASP  21           H        ASP  21 -11.607   7.283 -12.456
  168    HA   ASP  21           HA       ASP  21 -13.542   5.691 -14.003
  169    HB2  ASP  21           HB2      ASP  21 -13.757   8.151 -13.714
  170    HB3  ASP  21           HB3      ASP  21 -12.220   8.375 -14.551
  171    H    ALA  22           H        ALA  22 -10.196   5.577 -13.651
  172    HA   ALA  22           HA       ALA  22  -9.451   5.590 -16.458
  173    HB1  ALA  22           HB1      ALA  22  -7.893   6.357 -14.665
  174    HB2  ALA  22           HB2      ALA  22  -7.822   4.678 -14.054
  175    HB3  ALA  22           HB3      ALA  22  -7.223   5.071 -15.675
  176    H    GLU  23           H        GLU  23  -8.218   3.717 -17.383
  177    HA   GLU  23           HA       GLU  23  -9.200   1.046 -16.603
  178    HB2  GLU  23           HB2      GLU  23 -10.923   2.133 -18.065
  179    HB3  GLU  23           HB3      GLU  23  -9.714   2.293 -19.342
  180    HG2  GLU  23           HG2      GLU  23  -9.513  -0.161 -19.486
  181    HG3  GLU  23           HG3      GLU  23 -10.603  -0.354 -18.109
  182    H    ASP  24           H        ASP  24  -6.923   3.093 -18.451
  183    HA   ASP  24           HA       ASP  24  -4.977   0.916 -18.479
  184    HB2  ASP  24           HB2      ASP  24  -6.279   0.887 -20.711
  185    HB3  ASP  24           HB3      ASP  24  -5.557   2.479 -21.006
  186    H    LYS  25           H        LYS  25  -2.850   2.021 -19.397
  187    HA   LYS  25           HA       LYS  25  -2.134   3.884 -17.469
  188    HB2  LYS  25           HB2      LYS  25   0.004   3.938 -18.581
  189    HB3  LYS  25           HB3      LYS  25  -0.674   2.312 -18.603
  190    HG2  LYS  25           HG2      LYS  25  -1.537   3.084 -21.042
  191    HG3  LYS  25           HG3      LYS  25  -0.210   4.233 -20.888
  192    HD2  LYS  25           HD2      LYS  25  -0.131   1.198 -20.841
  193    HD3  LYS  25           HD3      LYS  25   0.596   2.254 -22.047
  194    HE2  LYS  25           HE2      LYS  25   1.424   2.107 -19.115
  195    HE3  LYS  25           HE3      LYS  25   2.184   1.161 -20.397
  196    HZ1  LYS  25           HZ1      LYS  25   3.454   3.152 -19.949
  197    HZ2  LYS  25           HZ2      LYS  25   2.869   3.224 -21.463
  198    HZ3  LYS  25           HZ3      LYS  25   2.191   4.127 -20.279
  199    H    GLU  26           H        GLU  26  -3.231   4.618 -20.760
  200    HA   GLU  26           HA       GLU  26  -2.468   7.424 -20.683
  201    HB2  GLU  26           HB2      GLU  26  -4.442   5.824 -22.373
  202    HB3  GLU  26           HB3      GLU  26  -4.153   7.553 -22.590
  203    HG2  GLU  26           HG2      GLU  26  -1.748   7.117 -23.008
  204    HG3  GLU  26           HG3      GLU  26  -2.018   5.385 -22.811
  205    H    GLU  27           H        GLU  27  -5.330   5.502 -19.723
  206    HA   GLU  27           HA       GLU  27  -6.969   7.841 -19.161
  207    HB2  GLU  27           HB2      GLU  27  -7.345   5.004 -18.177
  208    HB3  GLU  27           HB3      GLU  27  -8.545   6.288 -18.265
  209    HG2  GLU  27           HG2      GLU  27  -7.268   4.809 -20.594
  210    HG3  GLU  27           HG3      GLU  27  -8.927   4.675 -20.031
  211    H    ARG  28           H        ARG  28  -4.736   5.706 -17.293
  212    HA   ARG  28           HA       ARG  28  -5.385   6.935 -14.755
  213    HB2  ARG  28           HB2      ARG  28  -2.968   5.365 -15.748
  214    HB3  ARG  28           HB3      ARG  28  -2.879   6.297 -14.262
  215    HG2  ARG  28           HG2      ARG  28  -3.457   4.274 -13.401
  216    HG3  ARG  28           HG3      ARG  28  -5.010   5.081 -13.499
  217    HD2  ARG  28           HD2      ARG  28  -5.428   2.915 -14.240
  218    HD3  ARG  28           HD3      ARG  28  -5.335   3.837 -15.747
  219    HE   ARG  28           HE       ARG  28  -2.740   2.950 -15.378
  220   HH11  ARG  28          HH11      ARG  28  -5.830   1.174 -15.376
  221   HH12  ARG  28          HH12      ARG  28  -5.125  -0.274 -15.986
  222   HH21  ARG  28          HH21      ARG  28  -1.852   1.170 -16.096
  223   HH22  ARG  28          HH22      ARG  28  -2.740  -0.312 -16.418
  224    H    ALA  29           H        ALA  29  -2.981   7.760 -17.318
  225    HA   ALA  29           HA       ALA  29  -1.885   9.985 -15.977
  226    HB1  ALA  29           HB1      ALA  29  -2.264   9.597 -18.975
  227    HB2  ALA  29           HB2      ALA  29  -1.092  10.661 -18.173
  228    HB3  ALA  29           HB3      ALA  29  -0.941   8.905 -18.013
  229    H    MET  30           H        MET  30  -4.778   9.783 -18.152
  230    HA   MET  30           HA       MET  30  -5.420  12.562 -17.924
  231    HB2  MET  30           HB2      MET  30  -7.141  10.152 -18.552
  232    HB3  MET  30           HB3      MET  30  -7.733  11.812 -18.577
  233    HG2  MET  30           HG2      MET  30  -5.460  10.752 -20.297
  234    HG3  MET  30           HG3      MET  30  -7.120  10.994 -20.805
  235    HE1  MET  30           HE1      MET  30  -4.163  13.605 -19.125
  236    HE2  MET  30           HE2      MET  30  -3.713  12.308 -20.246
  237    HE3  MET  30           HE3      MET  30  -3.745  14.001 -20.791
  238    H    GLY  31           H        GLY  31  -6.389   9.783 -15.854
  239    HA2  GLY  31           HA2      GLY  31  -8.209  11.155 -14.208
  240    HA3  GLY  31           HA3      GLY  31  -7.185   9.788 -13.722
  241    H    TRP  32           H        TRP  32  -4.648  10.703 -13.740
  242    HA   TRP  32           HA       TRP  32  -4.415  12.384 -11.461
  243    HB2  TRP  32           HB2      TRP  32  -2.468  11.455 -13.592
  244    HB3  TRP  32           HB3      TRP  32  -1.988  12.606 -12.353
  245    HD1  TRP  32           HD1      TRP  32  -2.527   8.926 -12.833
  246    HE1  TRP  32           HE1      TRP  32  -1.916   7.677 -10.699
  247    HE3  TRP  32           HE3      TRP  32  -2.142  12.917  -9.660
  248    HZ2  TRP  32           HZ2      TRP  32  -1.582   8.302  -7.878
  249    HZ3  TRP  32           HZ3      TRP  32  -1.672  12.560  -7.249
  250    HH2  TRP  32           HH2      TRP  32  -1.394  10.259  -6.356
  251    H    TYR  33           H        TYR  33  -4.112  13.156 -14.978
  252    HA   TYR  33           HA       TYR  33  -3.262  15.814 -14.653
  253    HB2  TYR  33           HB2      TYR  33  -3.041  14.762 -16.772
  254    HB3  TYR  33           HB3      TYR  33  -4.731  14.311 -16.816
  255    HD1  TYR  33           HD1      TYR  33  -2.872  17.586 -16.414
  256    HD2  TYR  33           HD2      TYR  33  -5.937  15.357 -18.457
  257    HE1  TYR  33           HE1      TYR  33  -3.459  19.603 -17.712
  258    HE2  TYR  33           HE2      TYR  33  -6.602  17.382 -19.691
  259    HH   TYR  33           HH       TYR  33  -6.154  19.640 -20.100
  260    H    TYR  34           H        TYR  34  -6.644  14.498 -14.960
  261    HA   TYR  34           HA       TYR  34  -7.859  17.083 -14.978
  262    HB2  TYR  34           HB2      TYR  34  -8.981  14.390 -14.116
  263    HB3  TYR  34           HB3      TYR  34  -9.924  15.826 -14.474
  264    HD1  TYR  34           HD2      TYR  34  -7.833  16.281 -17.097
  265    HD2  TYR  34           HD1      TYR  34 -10.533  13.236 -15.637
  266    HE1  TYR  34           HE2      TYR  34  -8.233  15.524 -19.407
  267    HE2  TYR  34           HE1      TYR  34 -10.907  12.454 -17.955
  268    HH   TYR  34           HH       TYR  34  -9.331  14.006 -20.790
  269    H    TYR  35           H        TYR  35  -7.100  14.753 -12.320
  270    HA   TYR  35           HA       TYR  35  -8.513  16.224 -10.326
  271    HB2  TYR  35           HB2      TYR  35  -7.772  13.818 -10.220
  272    HB3  TYR  35           HB3      TYR  35  -6.122  14.378  -9.966
  273    HD1  TYR  35           HD1      TYR  35  -9.577  14.333  -8.553
  274    HD2  TYR  35           HD2      TYR  35  -5.411  15.129  -7.768
  275    HE1  TYR  35           HE1      TYR  35 -10.064  14.470  -6.131
  276    HE2  TYR  35           HE2      TYR  35  -5.883  15.278  -5.349
  277    HH   TYR  35           HH       TYR  35  -7.513  15.140  -3.684
  278    H    LEU  36           H        LEU  36  -5.041  16.286 -11.340
  279    HA   LEU  36           HA       LEU  36  -4.265  18.225  -9.353
  280    HB2  LEU  36           HB2      LEU  36  -3.039  17.003 -11.815
  281    HB3  LEU  36           HB3      LEU  36  -2.384  18.520 -11.239
  282    HG   LEU  36           HG       LEU  36  -1.724  17.662  -9.143
  283   HD11  LEU  36          HD11      LEU  36  -3.549  16.238  -8.465
  284   HD12  LEU  36          HD12      LEU  36  -3.223  15.092  -9.787
  285   HD13  LEU  36          HD13      LEU  36  -2.066  15.288  -8.448
  286   HD21  LEU  36          HD21      LEU  36  -0.128  15.941  -9.815
  287   HD22  LEU  36          HD22      LEU  36  -1.127  15.504 -11.222
  288   HD23  LEU  36          HD23      LEU  36  -0.335  17.086 -11.155
  289    H    ASP  37           H        ASP  37  -5.339  18.488 -12.802
  290    HA   ASP  37           HA       ASP  37  -5.051  21.276 -13.041
  291    HB2  ASP  37           HB2      ASP  37  -5.503  19.878 -14.962
  292    HB3  ASP  37           HB3      ASP  37  -7.033  19.331 -14.276
  293    H    ASP  38           H        ASP  38  -7.654  19.371 -11.517
  294    HA   ASP  38           HA       ASP  38  -9.352  21.693 -11.059
  295    HB2  ASP  38           HB2      ASP  38 -10.275  19.429 -11.334
  296    HB3  ASP  38           HB3      ASP  38  -9.405  18.880  -9.901
  297    H    THR  39           H        THR  39  -6.604  20.284  -9.414
  298    HA   THR  39           HA       THR  39  -7.477  21.359  -6.778
  299    HB   THR  39           HB       THR  39  -5.208  19.512  -7.618
  300    HG1  THR  39           HG1      THR  39  -7.079  18.476  -7.835
  301   HG21  THR  39          HG21      THR  39  -6.094  20.506  -4.894
  302   HG22  THR  39          HG22      THR  39  -5.188  18.991  -5.103
  303   HG23  THR  39          HG23      THR  39  -4.479  20.539  -5.604
  304    H    LEU  40           H        LEU  40  -4.728  21.674  -9.078
  305    HA   LEU  40           HA       LEU  40  -3.111  23.182  -7.250
  306    HB2  LEU  40           HB2      LEU  40  -2.997  22.831 -10.262
  307    HB3  LEU  40           HB3      LEU  40  -1.716  23.579  -9.316
  308    HG   LEU  40           HG       LEU  40  -2.614  20.710  -8.835
  309   HD11  LEU  40          HD11      LEU  40  -0.398  21.723 -10.689
  310   HD12  LEU  40          HD12      LEU  40  -0.718  20.021 -10.296
  311   HD13  LEU  40          HD13      LEU  40  -1.913  20.956 -11.207
  312   HD21  LEU  40          HD21      LEU  40  -0.011  22.110  -8.168
  313   HD22  LEU  40          HD22      LEU  40  -1.272  21.557  -7.030
  314   HD23  LEU  40          HD23      LEU  40  -0.354  20.381  -7.958
  315    H    GLU  41           H        GLU  41  -3.230  25.313  -6.789
  316    HA   GLU  41           HA       GLU  41  -5.179  27.012  -8.135
  317    HB2  GLU  41           HB2      GLU  41  -3.368  27.417  -5.715
  318    HB3  GLU  41           HB3      GLU  41  -4.545  28.602  -6.270
  319    HG2  GLU  41           HG2      GLU  41  -5.310  25.783  -5.411
  320    HG3  GLU  41           HG3      GLU  41  -5.306  27.184  -4.355
  321    H    PHE  42           H        PHE  42  -3.272  26.437 -10.018
  322    HA   PHE  42           HA       PHE  42  -1.177  28.421 -10.133
  323    HB2  PHE  42           HB2      PHE  42  -1.102  27.740 -12.582
  324    HB3  PHE  42           HB3      PHE  42  -0.737  26.531 -11.380
  325    HD1  PHE  42           HD1      PHE  42  -3.653  27.797 -13.436
  326    HD2  PHE  42           HD2      PHE  42  -1.655  24.416 -11.649
  327    HE1  PHE  42           HE1      PHE  42  -5.297  26.267 -14.484
  328    HE2  PHE  42           HE2      PHE  42  -3.321  22.892 -12.684
  329    HZ   PHE  42           HZ       PHE  42  -5.142  23.817 -14.096
  330    HA   PRO  43           HA       PRO  43  -0.246  29.643 -12.194
  331    HB2  PRO  43           HB2      PRO  43   0.458  32.283 -12.295
  332    HB3  PRO  43           HB3      PRO  43  -0.350  31.425 -13.641
  333    HG2  PRO  43           HG2      PRO  43  -1.630  33.170 -11.519
  334    HG3  PRO  43           HG3      PRO  43  -1.884  33.214 -13.294
  335    HD2  PRO  43           HD2      PRO  43  -3.588  31.891 -11.620
  336    HD3  PRO  43           HD3      PRO  43  -3.203  31.255 -13.246
  337    H    PHE  44           H        PHE  44   1.608  29.758 -10.868
  338    HA   PHE  44           HA       PHE  44   1.505  31.158  -8.303
  339    HB2  PHE  44           HB2      PHE  44   1.892  29.205  -6.939
  340    HB3  PHE  44           HB3      PHE  44   0.335  29.096  -7.725
  341    HD1  PHE  44           HD1      PHE  44   3.870  27.872  -7.996
  342    HD2  PHE  44           HD2      PHE  44  -0.269  27.018  -8.734
  343    HE1  PHE  44           HE1      PHE  44   4.481  25.578  -8.590
  344    HE2  PHE  44           HE2      PHE  44   0.341  24.714  -9.418
  345    HZ   PHE  44           HZ       PHE  44   2.712  23.974  -9.345
  346    H    MET  45           H        MET  45   3.720  30.830  -7.148
  347    HA   MET  45           HA       MET  45   5.847  30.918  -9.226
  348    HB2  MET  45           HB2      MET  45   5.562  32.774  -7.565
  349    HB3  MET  45           HB3      MET  45   5.820  31.616  -6.251
  350    HG2  MET  45           HG2      MET  45   8.094  31.130  -7.221
  351    HG3  MET  45           HG3      MET  45   7.817  32.417  -8.400
  352    HE1  MET  45           HE1      MET  45  10.247  32.046  -6.520
  353    HE2  MET  45           HE2      MET  45  10.132  33.452  -7.597
  354    HE3  MET  45           HE3      MET  45  10.557  33.683  -5.883
  355    H    GLY  46           H        GLY  46   7.686  29.394  -9.153
  356    HA2  GLY  46           HA2      GLY  46   7.858  27.632  -6.826
  357    HA3  GLY  46           HA3      GLY  46   7.478  26.823  -8.354
  358    H    LYS  47           H        LYS  47   9.696  26.108  -7.116
  359    HA   LYS  47           HA       LYS  47  11.897  27.366  -8.691
  360    HB2  LYS  47           HB2      LYS  47  12.177  26.924  -6.113
  361    HB3  LYS  47           HB3      LYS  47  12.188  25.222  -6.532
  362    HG2  LYS  47           HG2      LYS  47  14.471  25.842  -6.426
  363    HG3  LYS  47           HG3      LYS  47  14.115  25.745  -8.145
  364    HD2  LYS  47           HD2      LYS  47  15.413  27.715  -7.855
  365    HD3  LYS  47           HD3      LYS  47  13.764  28.291  -8.099
  366    HE2  LYS  47           HE2      LYS  47  13.469  28.702  -5.728
  367    HE3  LYS  47           HE3      LYS  47  14.997  27.901  -5.343
  368    HZ1  LYS  47           HZ1      LYS  47  15.147  30.349  -5.367
  369    HZ2  LYS  47           HZ2      LYS  47  16.184  29.668  -6.420
  370    HZ3  LYS  47           HZ3      LYS  47  14.824  30.379  -6.975
  371    H    TRP  48           H        TRP  48  12.445  26.309 -10.520
  372    HA   TRP  48           HA       TRP  48  11.423  23.580 -11.044
  373    HB2  TRP  48           HB2      TRP  48  11.354  25.318 -12.837
  374    HB3  TRP  48           HB3      TRP  48  13.101  25.452 -12.767
  375    HD1  TRP  48           HD1      TRP  48  12.504  21.892 -12.470
  376    HE1  TRP  48           HE1      TRP  48  12.678  20.662 -14.667
  377    HE3  TRP  48           HE3      TRP  48  12.028  25.879 -15.637
  378    HZ2  TRP  48           HZ2      TRP  48  12.703  21.314 -17.500
  379    HZ3  TRP  48           HZ3      TRP  48  12.056  25.524 -18.095
  380    HH2  TRP  48           HH2      TRP  48  12.419  23.258 -19.031
  381    H    LYS  49           H        LYS  49  12.572  22.145  -9.848
  382    HA   LYS  49           HA       LYS  49  15.435  22.418  -9.256
  383    HB2  LYS  49           HB2      LYS  49  13.190  20.548  -8.356
  384    HB3  LYS  49           HB3      LYS  49  14.869  20.368  -7.857
  385    HG2  LYS  49           HG2      LYS  49  14.835  22.526  -6.702
  386    HG3  LYS  49           HG3      LYS  49  13.234  22.894  -7.352
  387    HD2  LYS  49           HD2      LYS  49  12.870  22.217  -5.138
  388    HD3  LYS  49           HD3      LYS  49  12.335  20.874  -6.166
  389    HE2  LYS  49           HE2      LYS  49  14.564  19.753  -5.709
  390    HE3  LYS  49           HE3      LYS  49  14.929  21.076  -4.587
  391    HZ1  LYS  49           HZ1      LYS  49  12.794  20.423  -3.424
  392    HZ2  LYS  49           HZ2      LYS  49  12.779  19.066  -4.333
  393    HZ3  LYS  49           HZ3      LYS  49  14.021  19.328  -3.309
  394    H    LYS  50           H        LYS  50  15.623  22.326 -11.647
  395    HA   LYS  50           HA       LYS  50  14.672  20.058 -13.194
  396    HB2  LYS  50           HB2      LYS  50  15.300  22.361 -14.110
  397    HB3  LYS  50           HB3      LYS  50  16.993  21.923 -13.834
  398    HG2  LYS  50           HG2      LYS  50  16.575  19.862 -15.278
  399    HG3  LYS  50           HG3      LYS  50  14.991  20.507 -15.665
  400    HD2  LYS  50           HD2      LYS  50  15.900  22.356 -16.834
  401    HD3  LYS  50           HD3      LYS  50  17.516  22.143 -16.140
  402    HE2  LYS  50           HE2      LYS  50  16.177  20.083 -17.948
  403    HE3  LYS  50           HE3      LYS  50  17.236  21.359 -18.556
  404    HZ1  LYS  50           HZ1      LYS  50  19.045  20.461 -17.301
  405    HZ2  LYS  50           HZ2      LYS  50  18.116  19.343 -16.548
  406    HZ3  LYS  50           HZ3      LYS  50  18.393  19.241 -18.163
  407    H    LYS  51           H        LYS  51  15.620  17.962 -13.351
  408    HA   LYS  51           HA       LYS  51  17.939  17.247 -11.938
  409    HB2  LYS  51           HB2      LYS  51  16.264  15.706 -13.171
  410    HB3  LYS  51           HB3      LYS  51  17.216  16.032 -14.631
  411    HG2  LYS  51           HG2      LYS  51  19.277  15.240 -13.245
  412    HG3  LYS  51           HG3      LYS  51  18.123  14.739 -12.019
  413    HD2  LYS  51           HD2      LYS  51  18.679  12.804 -13.298
  414    HD3  LYS  51           HD3      LYS  51  17.031  13.243 -13.715
  415    HE2  LYS  51           HE2      LYS  51  18.306  12.544 -15.682
  416    HE3  LYS  51           HE3      LYS  51  17.786  14.219 -15.849
  417    HZ1  LYS  51           HZ1      LYS  51  20.504  13.552 -14.866
  418    HZ2  LYS  51           HZ2      LYS  51  20.160  13.664 -16.469
  419    HZ3  LYS  51           HZ3      LYS  51  19.990  14.963 -15.495
  420    H    SER  52           H        SER  52  20.150  17.317 -12.366
  421    HA   SER  52           HA       SER  52  21.263  19.289 -13.987
  422    HB2  SER  52           HB2      SER  52  22.444  16.678 -12.963
  423    HB3  SER  52           HB3      SER  52  23.394  18.049 -13.571
  424    HG   SER  52           HG       SER  52  23.029  17.872 -11.249
  425    H    ARG  53           H        ARG  53  22.697  19.093 -15.795
  426    HA   ARG  53           HA       ARG  53  21.375  18.264 -18.066
  427    HB2  ARG  53           HB2      ARG  53  23.107  20.043 -17.803
  428    HB3  ARG  53           HB3      ARG  53  24.358  18.798 -17.728
  429    HG2  ARG  53           HG2      ARG  53  23.818  18.096 -20.053
  430    HG3  ARG  53           HG3      ARG  53  22.472  19.245 -20.090
  431    HD2  ARG  53           HD2      ARG  53  24.335  20.200 -21.283
  432    HD3  ARG  53           HD3      ARG  53  24.079  21.119 -19.791
  433    HE   ARG  53           HE       ARG  53  26.026  18.992 -19.473
  434   HH11  ARG  53          HH11      ARG  53  25.668  22.291 -20.728
  435   HH12  ARG  53          HH12      ARG  53  27.330  22.703 -20.528
  436   HH21  ARG  53          HH21      ARG  53  28.242  19.541 -19.188
  437   HH22  ARG  53          HH22      ARG  53  28.824  21.097 -19.638
  438    H    LYS  54           H        LYS  54  23.668  16.318 -16.197
  439    HA   LYS  54           HA       LYS  54  23.012  14.019 -17.961
  440    HB2  LYS  54           HB2      LYS  54  25.183  14.947 -18.744
  441    HB3  LYS  54           HB3      LYS  54  25.860  14.731 -17.124
  442    HG2  LYS  54           HG2      LYS  54  25.503  12.280 -17.297
  443    HG3  LYS  54           HG3      LYS  54  24.759  12.497 -18.894
  444    HD2  LYS  54           HD2      LYS  54  26.891  13.427 -19.760
  445    HD3  LYS  54           HD3      LYS  54  27.633  13.219 -18.156
  446    HE2  LYS  54           HE2      LYS  54  27.211  10.772 -18.284
  447    HE3  LYS  54           HE3      LYS  54  26.471  10.978 -19.876
  448    HZ1  LYS  54           HZ1      LYS  54  28.771  10.279 -20.053
  449    HZ2  LYS  54           HZ2      LYS  54  28.615  11.766 -20.697
  450    HZ3  LYS  54           HZ3      LYS  54  29.300  11.577 -19.224
  451    H    THR  55           H        THR  55  24.672  15.069 -14.903
  452    HA   THR  55           HA       THR  55  24.494  12.549 -13.634
  453    HB   THR  55           HB       THR  55  24.933  14.120 -11.586
  454    HG1  THR  55           HG1      THR  55  24.613  16.118 -12.026
  455   HG21  THR  55          HG21      THR  55  27.250  14.530 -12.302
  456   HG22  THR  55          HG22      THR  55  26.727  12.910 -12.788
  457   HG23  THR  55          HG23      THR  55  26.813  14.212 -13.995
  458    H    SER  56           H        SER  56  23.304  12.176 -11.544
  459    HA   SER  56           HA       SER  56  20.461  12.616 -11.882
  460    HB2  SER  56           HB2      SER  56  21.972  11.302  -9.592
  461    HB3  SER  56           HB3      SER  56  20.270  11.070 -10.030
  462    HG   SER  56           HG       SER  56  21.614   9.374 -10.794
  463    H    THR  57           H        THR  57  22.702  14.765 -10.759
  464    HA   THR  57           HA       THR  57  21.555  15.585  -8.242
  465    HB   THR  57           HB       THR  57  23.219  17.520  -8.703
  466    HG1  THR  57           HG1      THR  57  24.764  17.034 -10.262
  467   HG21  THR  57          HG21      THR  57  23.709  15.579  -7.234
  468   HG22  THR  57          HG22      THR  57  24.269  14.654  -8.645
  469   HG23  THR  57          HG23      THR  57  25.140  16.113  -8.127
  470    H    ILE  58           H        ILE  58  21.394  18.339  -8.430
  471    HA   ILE  58           HA       ILE  58  18.998  18.799 -10.153
  472    HB   ILE  58           HB       ILE  58  19.340  19.202  -7.166
  473   HG12  ILE  58          HG12      ILE  58  18.673  16.893  -7.827
  474   HG13  ILE  58          HG13      ILE  58  17.500  17.720  -6.825
  475   HG21  ILE  58          HG21      ILE  58  17.027  20.135  -7.156
  476   HG22  ILE  58          HG22      ILE  58  18.205  21.168  -7.961
  477   HG23  ILE  58          HG23      ILE  58  17.091  20.203  -8.939
  478   HD11  ILE  58          HD11      ILE  58  16.023  18.081  -8.726
  479   HD12  ILE  58          HD12      ILE  58  17.242  17.430  -9.847
  480   HD13  ILE  58          HD13      ILE  58  16.480  16.375  -8.646
  481    H    GLU  59           H        GLU  59  18.867  20.762 -10.936
  482    HA   GLU  59           HA       GLU  59  20.794  22.916 -10.207
  483    HB2  GLU  59           HB2      GLU  59  19.459  22.190 -12.867
  484    HB3  GLU  59           HB3      GLU  59  20.245  23.736 -12.572
  485    HG2  GLU  59           HG2      GLU  59  21.705  21.063 -12.367
  486    HG3  GLU  59           HG3      GLU  59  21.599  21.995 -13.848
  487    H    GLU  60           H        GLU  60  19.635  25.011 -10.009
  488    HA   GLU  60           HA       GLU  60  16.697  24.650  -9.556
  489    HB2  GLU  60           HB2      GLU  60  18.790  25.938  -7.764
  490    HB3  GLU  60           HB3      GLU  60  17.042  26.103  -7.548
  491    HG2  GLU  60           HG2      GLU  60  16.821  23.645  -7.369
  492    HG3  GLU  60           HG3      GLU  60  18.574  23.476  -7.522
  493    H    LYS  61           H        LYS  61  15.484  26.046 -10.625
  494    HA   LYS  61           HA       LYS  61  16.595  28.756 -11.308
  495    HB2  LYS  61           HB2      LYS  61  16.785  27.153 -13.187
  496    HB3  LYS  61           HB3      LYS  61  15.063  26.766 -13.036
  497    HG2  LYS  61           HG2      LYS  61  14.435  29.014 -13.744
  498    HG3  LYS  61           HG3      LYS  61  16.122  29.551 -13.675
  499    HD2  LYS  61           HD2      LYS  61  15.402  29.133 -15.994
  500    HD3  LYS  61           HD3      LYS  61  16.731  28.070 -15.516
  501    HE2  LYS  61           HE2      LYS  61  15.099  26.229 -15.089
  502    HE3  LYS  61           HE3      LYS  61  13.776  27.300 -15.575
  503    HZ1  LYS  61           HZ1      LYS  61  14.717  27.385 -17.781
  504    HZ2  LYS  61           HZ2      LYS  61  16.009  26.471 -17.344
  505    HZ3  LYS  61           HZ3      LYS  61  14.514  25.815 -17.360
  506    H    THR  62           H        THR  62  15.159  30.387 -10.764
  507    HA   THR  62           HA       THR  62  12.677  29.642  -9.449
  508    HB   THR  62           HB       THR  62  13.753  32.418 -10.084
  509    HG1  THR  62           HG1      THR  62  15.157  32.195  -8.509
  510   HG21  THR  62          HG21      THR  62  12.641  32.979  -7.952
  511   HG22  THR  62          HG22      THR  62  11.477  32.254  -9.079
  512   HG23  THR  62          HG23      THR  62  12.141  31.279  -7.750
  513    H    VAL  63           H        VAL  63  10.617  29.651 -10.371
  514    HA   VAL  63           HA       VAL  63  10.321  30.913 -13.027
  515    HB   VAL  63           HB       VAL  63   9.287  28.921 -13.911
  516   HG11  VAL  63          HG11      VAL  63  11.197  27.525 -14.287
  517   HG12  VAL  63          HG12      VAL  63  11.748  29.200 -14.229
  518   HG13  VAL  63          HG13      VAL  63  12.024  28.132 -12.843
  519   HG21  VAL  63          HG21      VAL  63   8.463  27.859 -11.807
  520   HG22  VAL  63          HG22      VAL  63   9.357  26.749 -12.843
  521   HG23  VAL  63          HG23      VAL  63  10.135  27.423 -11.395
  522    H    GLU  64           H        GLU  64   8.210  31.260 -13.660
  523    HA   GLU  64           HA       GLU  64   6.134  31.322 -11.509
  524    HB2  GLU  64           HB2      GLU  64   6.587  33.494 -12.624
  525    HB3  GLU  64           HB3      GLU  64   6.293  32.761 -14.204
  526    HG2  GLU  64           HG2      GLU  64   3.956  32.304 -13.612
  527    HG3  GLU  64           HG3      GLU  64   4.239  32.822 -11.949
  528    H    VAL  65           H        VAL  65   4.607  29.728 -11.703
  529    HA   VAL  65           HA       VAL  65   4.719  27.887 -14.020
  530    HB   VAL  65           HB       VAL  65   3.447  27.580 -11.254
  531   HG11  VAL  65          HG11      VAL  65   3.917  25.583 -13.498
  532   HG12  VAL  65          HG12      VAL  65   3.331  25.170 -11.872
  533   HG13  VAL  65          HG13      VAL  65   2.339  26.175 -12.930
  534   HG21  VAL  65          HG21      VAL  65   5.861  27.654 -10.966
  535   HG22  VAL  65          HG22      VAL  65   5.345  25.972 -10.849
  536   HG23  VAL  65          HG23      VAL  65   6.109  26.555 -12.339
  537    H    LEU  66           H        LEU  66   3.301  28.422 -15.582
  538    HA   LEU  66           HA       LEU  66   1.161  30.320 -15.088
  539    HB2  LEU  66           HB2      LEU  66   1.959  28.667 -17.529
  540    HB3  LEU  66           HB3      LEU  66   0.603  29.771 -17.519
  541    HG   LEU  66           HG       LEU  66   2.458  30.797 -18.604
  542   HD11  LEU  66          HD11      LEU  66   2.109  32.167 -15.906
  543   HD12  LEU  66          HD12      LEU  66   2.583  32.912 -17.441
  544   HD13  LEU  66          HD13      LEU  66   0.951  32.250 -17.255
  545   HD21  LEU  66          HD21      LEU  66   4.089  30.683 -16.044
  546   HD22  LEU  66          HD22      LEU  66   4.285  29.559 -17.410
  547   HD23  LEU  66          HD23      LEU  66   4.574  31.296 -17.628
  548    H    GLY  67           H        GLY  67   1.343  26.770 -15.653
  549    HA2  GLY  67           HA2      GLY  67  -0.870  25.984 -14.285
  550    HA3  GLY  67           HA3      GLY  67  -1.476  26.381 -15.910
  551    H    MET  68           H        MET  68  -1.770  23.870 -15.429
  552    HA   MET  68           HA       MET  68   0.500  22.159 -16.008
  553    HB2  MET  68           HB2      MET  68  -2.483  21.649 -16.227
  554    HB3  MET  68           HB3      MET  68  -1.220  20.443 -16.535
  555    HG2  MET  68           HG2      MET  68  -0.314  20.844 -14.228
  556    HG3  MET  68           HG3      MET  68  -1.667  21.930 -13.925
  557    HE1  MET  68           HE1      MET  68  -0.980  18.291 -15.367
  558    HE2  MET  68           HE2      MET  68  -0.345  18.355 -13.706
  559    HE3  MET  68           HE3      MET  68  -1.754  17.338 -14.080
  560    H    ALA  69           H        ALA  69   0.945  21.076 -17.920
  561    HA   ALA  69           HA       ALA  69   0.782  22.547 -20.402
  562    HB1  ALA  69           HB1      ALA  69   1.463  19.636 -19.794
  563    HB2  ALA  69           HB2      ALA  69   1.897  20.500 -21.270
  564    HB3  ALA  69           HB3      ALA  69   2.629  20.986 -19.741
  565    HA   PRO  70           HA       PRO  70  -3.096  20.940 -21.943
  566    HB2  PRO  70           HB2      PRO  70  -2.577  20.087 -24.531
  567    HB3  PRO  70           HB3      PRO  70  -2.742  21.798 -24.038
  568    HG2  PRO  70           HG2      PRO  70  -0.193  20.187 -24.357
  569    HG3  PRO  70           HG3      PRO  70  -0.558  21.823 -25.000
  570    HD2  PRO  70           HD2      PRO  70   0.854  21.531 -22.737
  571    HD3  PRO  70           HD3      PRO  70  -0.393  22.799 -22.835
  572    H    ASP  71           H        ASP  71  -4.230  18.977 -22.631
  573    HA   ASP  71           HA       ASP  71  -3.442  16.685 -21.228
  574    HB2  ASP  71           HB2      ASP  71  -5.366  15.676 -21.997
  575    HB3  ASP  71           HB3      ASP  71  -5.785  17.381 -22.023
  576    H    ASP  72           H        ASP  72  -2.717  17.637 -24.551
  577    HA   ASP  72           HA       ASP  72  -1.977  15.112 -25.600
  578    HB2  ASP  72           HB2      ASP  72  -2.324  17.122 -26.974
  579    HB3  ASP  72           HB3      ASP  72  -0.907  17.885 -26.244
  580    H    GLU  73           H        GLU  73  -0.266  17.312 -23.456
  581    HA   GLU  73           HA       GLU  73   2.262  15.743 -23.596
  582    HB2  GLU  73           HB2      GLU  73   1.429  18.212 -22.007
  583    HB3  GLU  73           HB3      GLU  73   2.994  17.423 -21.858
  584    HG2  GLU  73           HG2      GLU  73   1.940  18.643 -24.447
  585    HG3  GLU  73           HG3      GLU  73   2.982  19.467 -23.300
  586    H    CYS  74           H        CYS  74  -0.465  16.579 -21.397
  587    HA   CYS  74           HA       CYS  74   0.632  15.096 -19.245
  588    HB2  CYS  74           HB2      CYS  74  -2.184  16.168 -19.549
  589    HB3  CYS  74           HB3      CYS  74  -1.436  15.558 -18.062
  590    HG   CYS  74           HG       CYS  74  -0.694  18.163 -19.926
  591    H    LEU  75           H        LEU  75  -0.441  13.738 -21.907
  592    HA   LEU  75           HA       LEU  75  -1.809  11.369 -20.800
  593    HB2  LEU  75           HB2      LEU  75  -0.804  12.277 -23.514
  594    HB3  LEU  75           HB3      LEU  75  -1.078  10.564 -23.252
  595    HG   LEU  75           HG       LEU  75  -3.260  12.592 -22.674
  596   HD11  LEU  75          HD11      LEU  75  -2.727  11.104 -25.278
  597   HD12  LEU  75          HD12      LEU  75  -4.166  12.085 -24.905
  598   HD13  LEU  75          HD13      LEU  75  -2.578  12.857 -25.014
  599   HD21  LEU  75          HD21      LEU  75  -4.734  10.651 -22.936
  600   HD22  LEU  75          HD22      LEU  75  -3.341   9.617 -23.319
  601   HD23  LEU  75          HD23      LEU  75  -3.526  10.307 -21.695
  602    H    LYS  76           H        LYS  76   1.430  12.564 -21.189
  603    HA   LYS  76           HA       LYS  76   2.576   9.810 -21.239
  604    HB2  LYS  76           HB2      LYS  76   3.835  12.520 -21.845
  605    HB3  LYS  76           HB3      LYS  76   4.622  10.946 -22.002
  606    HG2  LYS  76           HG2      LYS  76   2.979  10.286 -23.740
  607    HG3  LYS  76           HG3      LYS  76   2.181  11.866 -23.597
  608    HD2  LYS  76           HD2      LYS  76   4.310  12.990 -24.227
  609    HD3  LYS  76           HD3      LYS  76   5.068  11.414 -24.482
  610    HE2  LYS  76           HE2      LYS  76   2.596  12.453 -25.954
  611    HE3  LYS  76           HE3      LYS  76   4.245  12.549 -26.573
  612    HZ1  LYS  76           HZ1      LYS  76   4.337  10.124 -26.554
  613    HZ2  LYS  76           HZ2      LYS  76   2.795  10.027 -26.012
  614    HZ3  LYS  76           HZ3      LYS  76   3.109  10.648 -27.483
  615    H    ASP  77           H        ASP  77   2.709  12.946 -19.491
  616    HA   ASP  77           HA       ASP  77   3.408  11.707 -16.992
  617    HB2  ASP  77           HB2      ASP  77   5.661  11.729 -18.167
  618    HB3  ASP  77           HB3      ASP  77   5.515  13.479 -18.303
  619    H    MET  78           H        MET  78   3.694  13.654 -15.327
  620    HA   MET  78           HA       MET  78   1.647  15.674 -16.047
  621    HB2  MET  78           HB2      MET  78   3.201  15.199 -13.472
  622    HB3  MET  78           HB3      MET  78   1.984  16.460 -13.704
  623    HG2  MET  78           HG2      MET  78   1.507  13.467 -13.854
  624    HG3  MET  78           HG3      MET  78   1.064  14.536 -12.532
  625    HE1  MET  78           HE1      MET  78  -1.376  13.450 -16.179
  626    HE2  MET  78           HE2      MET  78   0.379  13.611 -16.334
  627    HE3  MET  78           HE3      MET  78  -0.314  12.471 -15.155
  628    H    TYR  79           H        TYR  79   2.139  17.634 -16.838
  629    HA   TYR  79           HA       TYR  79   4.890  18.735 -16.538
  630    HB2  TYR  79           HB2      TYR  79   3.234  18.496 -19.078
  631    HB3  TYR  79           HB3      TYR  79   4.668  19.485 -18.931
  632    HD1  TYR  79           HD1      TYR  79   6.929  18.323 -18.441
  633    HD2  TYR  79           HD2      TYR  79   3.389  16.244 -19.759
  634    HE1  TYR  79           HE1      TYR  79   8.340  16.524 -19.391
  635    HE2  TYR  79           HE2      TYR  79   4.778  14.459 -20.724
  636    HH   TYR  79           HH       TYR  79   6.958  13.676 -21.090
  637    H    VAL  80           H        VAL  80   4.982  21.015 -16.905
  638    HA   VAL  80           HA       VAL  80   2.452  22.536 -16.636
  639    HB   VAL  80           HB       VAL  80   3.726  23.860 -14.832
  640   HG11  VAL  80          HG11      VAL  80   2.608  21.115 -14.151
  641   HG12  VAL  80          HG12      VAL  80   2.874  22.446 -12.999
  642   HG13  VAL  80          HG13      VAL  80   1.710  22.648 -14.301
  643   HG21  VAL  80          HG21      VAL  80   5.924  22.694 -15.035
  644   HG22  VAL  80          HG22      VAL  80   5.268  22.658 -13.392
  645   HG23  VAL  80          HG23      VAL  80   5.180  21.207 -14.412
  646    H    GLU  81           H        GLU  81   2.583  24.614 -17.411
  647    HA   GLU  81           HA       GLU  81   4.868  25.218 -19.190
  648    HB2  GLU  81           HB2      GLU  81   2.168  26.563 -18.724
  649    HB3  GLU  81           HB3      GLU  81   3.445  27.215 -19.763
  650    HG2  GLU  81           HG2      GLU  81   3.388  25.095 -21.106
  651    HG3  GLU  81           HG3      GLU  81   2.024  24.543 -20.133
  652    H    VAL  82           H        VAL  82   6.404  26.691 -18.535
  653    HA   VAL  82           HA       VAL  82   5.934  28.237 -16.074
  654    HB   VAL  82           HB       VAL  82   7.973  27.534 -15.052
  655   HG11  VAL  82          HG11      VAL  82   6.557  24.973 -15.860
  656   HG12  VAL  82          HG12      VAL  82   7.485  25.285 -14.382
  657   HG13  VAL  82          HG13      VAL  82   5.947  26.116 -14.653
  658   HG21  VAL  82          HG21      VAL  82   9.425  27.086 -16.961
  659   HG22  VAL  82          HG22      VAL  82   9.380  25.686 -15.894
  660   HG23  VAL  82          HG23      VAL  82   8.452  25.664 -17.411
  661    H    ALA  83           H        ALA  83   7.296  30.073 -15.871
  662    HA   ALA  83           HA       ALA  83   8.810  30.867 -18.328
  663    HB1  ALA  83           HB1      ALA  83   7.070  32.596 -16.508
  664    HB2  ALA  83           HB2      ALA  83   8.085  33.180 -17.844
  665    HB3  ALA  83           HB3      ALA  83   6.698  32.129 -18.181
  666    H    ASP  84           H        ASP  84  10.876  31.321 -17.867
  667    HA   ASP  84           HA       ASP  84  11.923  31.075 -15.159
  668    HB2  ASP  84           HB2      ASP  84  13.406  30.367 -16.828
  669    HB3  ASP  84           HB3      ASP  84  13.122  31.794 -17.832
  670    H    ILE  85           H        ILE  85  11.931  32.577 -13.625
  671    HA   ILE  85           HA       ILE  85  11.212  35.356 -14.266
  672    HB   ILE  85           HB       ILE  85  11.829  34.034 -11.607
  673   HG12  ILE  85          HG12      ILE  85   9.115  34.621 -12.893
  674   HG13  ILE  85          HG13      ILE  85   9.833  33.030 -12.721
  675   HG21  ILE  85          HG21      ILE  85  12.039  36.534 -11.548
  676   HG22  ILE  85          HG22      ILE  85  10.376  36.656 -12.174
  677   HG23  ILE  85          HG23      ILE  85  10.709  35.966 -10.572
  678   HD11  ILE  85          HD11      ILE  85   8.206  33.256 -10.980
  679   HD12  ILE  85          HD12      ILE  85   9.798  33.315 -10.217
  680   HD13  ILE  85          HD13      ILE  85   8.849  34.803 -10.459
  681    H    GLY  86           H        GLY  86  14.117  33.420 -13.791
  682    HA2  GLY  86           HA2      GLY  86  15.773  35.304 -12.479
  683    HA3  GLY  86           HA3      GLY  86  16.287  33.894 -13.418
  684    H    GLY  87           H        GLY  87  15.196  34.704 -15.980
  685    HA2  GLY  87           HA2      GLY  87  16.641  37.232 -16.644
  686    HA3  GLY  87           HA3      GLY  87  17.122  35.674 -17.344
  687    H    LYS  88           H        LYS  88  14.630  34.473 -17.924
  688    HA   LYS  88           HA       LYS  88  14.215  35.782 -20.438
  689    HB2  LYS  88           HB2      LYS  88  12.588  33.575 -19.106
  690    HB3  LYS  88           HB3      LYS  88  12.388  34.134 -20.768
  691    HG2  LYS  88           HG2      LYS  88  14.796  33.567 -21.229
  692    HG3  LYS  88           HG3      LYS  88  14.936  32.916 -19.596
  693    HD2  LYS  88           HD2      LYS  88  14.635  31.120 -21.192
  694    HD3  LYS  88           HD3      LYS  88  13.227  31.203 -20.115
  695    HE2  LYS  88           HE2      LYS  88  11.918  32.355 -21.814
  696    HE3  LYS  88           HE3      LYS  88  13.327  32.511 -22.871
  697    HZ1  LYS  88           HZ1      LYS  88  11.824  30.767 -23.535
  698    HZ2  LYS  88           HZ2      LYS  88  13.304  30.141 -23.193
  699    HZ3  LYS  88           HZ3      LYS  88  12.059  29.937 -22.133
  700    H    ASP  89           H        ASP  89  12.019  35.435 -17.655
  701    HA   ASP  89           HA       ASP  89  10.334  36.542 -16.812
  702    HB2  ASP  89           HB2      ASP  89  12.056  38.238 -16.552
  703    HB3  ASP  89           HB3      ASP  89  11.630  38.947 -18.110
  704    H    ASP  90           H        ASP  90  10.463  36.865 -20.299
  705    HA   ASP  90           HA       ASP  90   7.535  37.430 -20.396
  706    HB2  ASP  90           HB2      ASP  90   9.004  39.450 -20.663
  707    HB3  ASP  90           HB3      ASP  90   9.747  38.676 -22.063
  708    H    ASP  91           H        ASP  91   9.295  34.920 -20.845
  709    HA   ASP  91           HA       ASP  91   7.822  34.061 -23.223
  710    HB2  ASP  91           HB2      ASP  91   9.987  34.663 -24.208
  711    HB3  ASP  91           HB3      ASP  91  10.831  33.691 -23.003
  712    H    VAL  92           H        VAL  92   7.677  31.669 -23.267
  713    HA   VAL  92           HA       VAL  92   7.846  30.523 -20.517
  714    HB   VAL  92           HB       VAL  92   5.460  30.291 -22.380
  715   HG11  VAL  92          HG11      VAL  92   5.593  28.601 -20.573
  716   HG12  VAL  92          HG12      VAL  92   5.660  29.912 -19.376
  717   HG13  VAL  92          HG13      VAL  92   4.208  29.672 -20.367
  718   HG21  VAL  92          HG21      VAL  92   4.250  31.955 -20.941
  719   HG22  VAL  92          HG22      VAL  92   5.808  32.396 -20.215
  720   HG23  VAL  92          HG23      VAL  92   5.508  32.664 -21.943
  721    H    TYR  93           H        TYR  93   8.064  28.302 -20.463
  722    HA   TYR  93           HA       TYR  93   7.891  26.660 -22.870
  723    HB2  TYR  93           HB2      TYR  93  10.122  25.545 -22.348
  724    HB3  TYR  93           HB3      TYR  93  10.089  27.063 -23.185
  725    HD1  TYR  93           HD1      TYR  93   9.767  27.302 -19.478
  726    HD2  TYR  93           HD2      TYR  93  12.475  27.132 -22.836
  727    HE1  TYR  93           HE1      TYR  93  11.547  28.313 -18.095
  728    HE2  TYR  93           HE2      TYR  93  14.277  28.079 -21.436
  729    HH   TYR  93           HH       TYR  93  14.837  28.996 -19.386
  730    H    THR  94           H        THR  94   9.016  24.316 -21.466
  731    HA   THR  94           HA       THR  94   6.748  23.898 -19.546
  732    HB   THR  94           HB       THR  94   7.514  21.904 -21.691
  733    HG1  THR  94           HG1      THR  94   6.788  23.698 -22.784
  734   HG21  THR  94          HG21      THR  94   4.951  22.284 -20.079
  735   HG22  THR  94          HG22      THR  94   5.259  21.017 -21.286
  736   HG23  THR  94          HG23      THR  94   6.188  21.040 -19.781
  737    H    ALA  95           H        ALA  95   7.100  22.530 -17.899
  738    HA   ALA  95           HA       ALA  95   9.744  21.181 -17.603
  739    HB1  ALA  95           HB1      ALA  95   9.699  21.912 -15.222
  740    HB2  ALA  95           HB2      ALA  95   9.744  23.303 -16.325
  741    HB3  ALA  95           HB3      ALA  95   8.225  22.844 -15.531
  742    H    LYS  96           H        LYS  96   9.618  19.375 -16.048
  743    HA   LYS  96           HA       LYS  96   7.085  17.882 -16.106
  744    HB2  LYS  96           HB2      LYS  96   9.774  17.435 -14.720
  745    HB3  LYS  96           HB3      LYS  96   8.405  16.328 -14.622
  746    HG2  LYS  96           HG2      LYS  96   8.499  15.776 -16.928
  747    HG3  LYS  96           HG3      LYS  96   9.650  17.068 -17.303
  748    HD2  LYS  96           HD2      LYS  96  10.319  14.877 -15.312
  749    HD3  LYS  96           HD3      LYS  96  10.558  14.641 -17.051
  750    HE2  LYS  96           HE2      LYS  96  12.223  16.259 -17.226
  751    HE3  LYS  96           HE3      LYS  96  11.689  17.134 -15.789
  752    HZ1  LYS  96           HZ1      LYS  96  12.966  14.474 -15.635
  753    HZ2  LYS  96           HZ2      LYS  96  13.755  15.903 -15.452
  754    HZ3  LYS  96           HZ3      LYS  96  12.594  15.515 -14.390
  755    H    LEU  97           H        LEU  97   5.648  17.869 -14.405
  756    HA   LEU  97           HA       LEU  97   5.825  19.774 -12.250
  757    HB2  LEU  97           HB2      LEU  97   3.690  18.745 -13.066
  758    HB3  LEU  97           HB3      LEU  97   4.231  17.183 -12.439
  759    HG   LEU  97           HG       LEU  97   4.229  18.102 -10.121
  760   HD11  LEU  97          HD11      LEU  97   3.059  20.299  -9.727
  761   HD12  LEU  97          HD12      LEU  97   4.631  20.487 -10.501
  762   HD13  LEU  97          HD13      LEU  97   3.140  20.621 -11.465
  763   HD21  LEU  97          HD21      LEU  97   2.251  16.960 -11.020
  764   HD22  LEU  97          HD22      LEU  97   1.792  18.236  -9.885
  765   HD23  LEU  97          HD23      LEU  97   1.621  18.509 -11.634
  766    H    SER  98           H        SER  98   6.971  16.478 -12.778
  767    HA   SER  98           HA       SER  98   7.687  15.701 -10.175
  768    HB2  SER  98           HB2      SER  98   9.077  15.048 -12.804
  769    HB3  SER  98           HB3      SER  98   9.009  14.044 -11.353
  770    HG   SER  98           HG       SER  98   7.449  13.419 -12.946
  771    H    ASP  99           H        ASP  99   9.085  18.235 -12.095
  772    HA   ASP  99           HA       ASP  99  11.626  18.169 -10.520
  773    HB2  ASP  99           HB2      ASP  99  11.051  19.051 -13.371
  774    HB3  ASP  99           HB3      ASP  99  12.443  19.629 -12.476
  775    H    ILE 100           H        ILE 100   8.718  19.466 -10.152
  776    HA   ILE 100           HA       ILE 100   9.689  22.257  -9.738
  777    HB   ILE 100           HB       ILE 100   7.120  21.131 -10.777
  778   HG12  ILE 100          HG12      ILE 100   9.108  22.194 -12.055
  779   HG13  ILE 100          HG13      ILE 100   7.454  22.610 -12.514
  780   HG21  ILE 100          HG21      ILE 100   6.193  22.347  -8.912
  781   HG22  ILE 100          HG22      ILE 100   7.170  23.784  -9.281
  782   HG23  ILE 100          HG23      ILE 100   5.898  23.246 -10.399
  783   HD11  ILE 100          HD11      ILE 100   9.206  24.357 -10.765
  784   HD12  ILE 100          HD12      ILE 100   9.053  24.494 -12.531
  785   HD13  ILE 100          HD13      ILE 100   7.640  24.776 -11.502
  786    H    GLU 101           H        GLU 101   9.321  23.223  -7.916
  787    HA   GLU 101           HA       GLU 101   7.811  21.873  -5.735
  788    HB2  GLU 101           HB2      GLU 101  10.229  21.494  -5.376
  789    HB3  GLU 101           HB3      GLU 101  10.528  23.238  -5.457
  790    HG2  GLU 101           HG2      GLU 101   9.021  23.532  -3.466
  791    HG3  GLU 101           HG3      GLU 101   8.819  21.779  -3.390
  792    H    ALA 102           H        ALA 102   6.101  23.243  -5.400
  793    HA   ALA 102           HA       ALA 102   6.128  25.953  -6.418
  794    HB1  ALA 102           HB1      ALA 102   3.909  26.110  -5.378
  795    HB2  ALA 102           HB2      ALA 102   4.060  24.647  -6.343
  796    HB3  ALA 102           HB3      ALA 102   4.167  24.545  -4.566
  797    H    ILE 103           H        ILE 103   5.985  27.855  -5.275
  798    HA   ILE 103           HA       ILE 103   7.116  27.874  -2.507
  799    HB   ILE 103           HB       ILE 103   7.475  29.796  -4.833
  800   HG12  ILE 103          HG12      ILE 103   9.625  28.169  -3.396
  801   HG13  ILE 103          HG13      ILE 103   8.847  27.611  -4.866
  802   HG21  ILE 103          HG21      ILE 103   8.988  31.076  -3.360
  803   HG22  ILE 103          HG22      ILE 103   7.371  31.025  -2.678
  804   HG23  ILE 103          HG23      ILE 103   8.635  29.965  -2.017
  805   HD11  ILE 103          HD11      ILE 103  10.909  28.632  -5.496
  806   HD12  ILE 103          HD12      ILE 103   9.604  29.689  -6.049
  807   HD13  ILE 103          HD13      ILE 103  10.555  30.111  -4.603
  808    H    ASP 104           H        ASP 104   5.945  28.880  -1.022
  809    HA   ASP 104           HA       ASP 104   4.195  29.797   0.037
  810    HB2  ASP 104           HB2      ASP 104   5.706  31.657  -0.513
  811    HB3  ASP 104           HB3      ASP 104   4.759  32.003  -1.960
  812    H    VAL 105           H        VAL 105   3.172  27.941  -1.730
  813    HA   VAL 105           HA       VAL 105   0.909  29.232  -3.121
  814    HB   VAL 105           HB       VAL 105   2.560  27.611  -4.197
  815   HG11  VAL 105          HG11      VAL 105   2.692  25.810  -2.612
  816   HG12  VAL 105          HG12      VAL 105   0.950  25.526  -2.714
  817   HG13  VAL 105          HG13      VAL 105   1.966  25.208  -4.113
  818   HG21  VAL 105          HG21      VAL 105   1.005  26.861  -5.750
  819   HG22  VAL 105          HG22      VAL 105  -0.358  27.013  -4.612
  820   HG23  VAL 105          HG23      VAL 105   0.495  28.454  -5.199
  821    H    ASP 106           H        ASP 106  -1.202  27.733  -3.062
  822    HA   ASP 106           HA       ASP 106  -2.160  27.825  -0.357
  823    HB2  ASP 106           HB2      ASP 106  -3.587  28.075  -2.457
  824    HB3  ASP 106           HB3      ASP 106  -3.397  26.315  -2.654
  825    H    ASP 107           H        ASP 107  -3.201  25.960   0.619
  826    HA   ASP 107           HA       ASP 107  -1.183  24.000   1.322
  827    HB2  ASP 107           HB2      ASP 107  -2.761  24.843   2.986
  828    HB3  ASP 107           HB3      ASP 107  -4.128  24.239   2.046
  829    H    ASP 108           H        ASP 108  -4.231  23.920  -0.638
  830    HA   ASP 108           HA       ASP 108  -4.104  21.049  -0.898
  831    HB2  ASP 108           HB2      ASP 108  -6.132  22.683  -1.013
  832    HB3  ASP 108           HB3      ASP 108  -5.668  22.916  -2.699
  833    H    THR 109           H        THR 109  -2.721  23.752  -2.635
  834    HA   THR 109           HA       THR 109  -2.061  22.294  -5.095
  835    HB   THR 109           HB       THR 109  -0.854  24.887  -3.973
  836    HG1  THR 109           HG1      THR 109  -3.196  24.877  -4.310
  837   HG21  THR 109          HG21      THR 109  -0.500  25.381  -6.399
  838   HG22  THR 109          HG22      THR 109   0.487  24.026  -5.818
  839   HG23  THR 109          HG23      THR 109  -0.977  23.749  -6.789
  840    H    GLN 110           H        GLN 110  -0.379  23.286  -2.039
  841    HA   GLN 110           HA       GLN 110   2.083  22.056  -2.682
  842    HB2  GLN 110           HB2      GLN 110   1.369  23.728  -0.763
  843    HB3  GLN 110           HB3      GLN 110   1.061  22.265   0.169
  844    HG2  GLN 110           HG2      GLN 110   3.685  23.120  -1.139
  845    HG3  GLN 110           HG3      GLN 110   3.313  23.191   0.577
  846   HE21  GLN 110          HE22      GLN 110   4.750  21.282  -1.858
  847   HE22  GLN 110          HE21      GLN 110   4.775  19.752  -1.018
  848    H    GLU 111           H        GLU 111  -0.806  20.769  -0.915
  849    HA   GLU 111           HA       GLU 111   0.272  18.228  -0.343
  850    HB2  GLU 111           HB2      GLU 111  -2.549  19.268  -0.748
  851    HB3  GLU 111           HB3      GLU 111  -2.267  17.570  -0.395
  852    HG2  GLU 111           HG2      GLU 111  -1.204  19.831   1.346
  853    HG3  GLU 111           HG3      GLU 111  -2.763  19.040   1.600
  854    H    ALA 112           H        ALA 112  -1.482  19.305  -3.315
  855    HA   ALA 112           HA       ALA 112  -1.518  16.714  -4.515
  856    HB1  ALA 112           HB1      ALA 112  -2.904  18.566  -5.297
  857    HB2  ALA 112           HB2      ALA 112  -1.463  19.487  -5.773
  858    HB3  ALA 112           HB3      ALA 112  -1.878  17.979  -6.622
  859    H    ILE 113           H        ILE 113   0.919  19.352  -4.606
  860    HA   ILE 113           HA       ILE 113   2.662  18.062  -6.487
  861    HB   ILE 113           HB       ILE 113   3.047  20.226  -4.404
  862   HG12  ILE 113          HG12      ILE 113   3.120  20.473  -7.437
  863   HG13  ILE 113          HG13      ILE 113   1.590  20.506  -6.565
  864   HG21  ILE 113          HG21      ILE 113   5.087  19.260  -6.456
  865   HG22  ILE 113          HG22      ILE 113   5.230  20.756  -5.512
  866   HG23  ILE 113          HG23      ILE 113   5.244  19.206  -4.685
  867   HD11  ILE 113          HD11      ILE 113   3.884  22.426  -6.151
  868   HD12  ILE 113          HD12      ILE 113   2.313  22.768  -6.909
  869   HD13  ILE 113          HD13      ILE 113   2.393  22.382  -5.175
  870    H    ALA 114           H        ALA 114   2.699  18.196  -2.881
  871    HA   ALA 114           HA       ALA 114   4.947  16.554  -2.464
  872    HB1  ALA 114           HB1      ALA 114   3.858  17.857  -0.664
  873    HB2  ALA 114           HB2      ALA 114   2.422  16.815  -0.765
  874    HB3  ALA 114           HB3      ALA 114   3.973  16.140  -0.231
  875    H    ASP 115           H        ASP 115   1.485  15.699  -2.895
  876    HA   ASP 115           HA       ASP 115   1.839  12.913  -2.520
  877    HB2  ASP 115           HB2      ASP 115  -0.340  14.267  -2.557
  878    HB3  ASP 115           HB3      ASP 115  -0.286  14.115  -4.314
  879    H    TRP 116           H        TRP 116   2.144  14.932  -5.452
  880    HA   TRP 116           HA       TRP 116   2.500  12.711  -7.251
  881    HB2  TRP 116           HB2      TRP 116   1.836  15.010  -7.961
  882    HB3  TRP 116           HB3      TRP 116   3.445  15.594  -7.527
  883    HD1  TRP 116           HD1      TRP 116   5.234  15.422  -9.367
  884    HE1  TRP 116           HE1      TRP 116   5.574  14.121 -11.539
  885    HE3  TRP 116           HE3      TRP 116   0.930  12.650  -9.287
  886    HZ2  TRP 116           HZ2      TRP 116   4.086  12.169 -13.094
  887    HZ3  TRP 116           HZ3      TRP 116   0.455  11.027 -11.098
  888    HH2  TRP 116           HH2      TRP 116   2.026  10.774 -12.998
  889    H    LEU 117           H        LEU 117   4.711  14.653  -5.184
  890    HA   LEU 117           HA       LEU 117   7.105  13.456  -6.229
  891    HB2  LEU 117           HB2      LEU 117   6.545  14.819  -3.574
  892    HB3  LEU 117           HB3      LEU 117   8.137  14.279  -4.081
  893    HG   LEU 117           HG       LEU 117   6.474  16.302  -5.649
  894   HD11  LEU 117          HD11      LEU 117   8.768  16.779  -3.708
  895   HD12  LEU 117          HD12      LEU 117   7.968  18.009  -4.716
  896   HD13  LEU 117          HD13      LEU 117   7.059  17.191  -3.439
  897   HD21  LEU 117          HD21      LEU 117   8.093  15.198  -7.088
  898   HD22  LEU 117          HD22      LEU 117   8.632  16.838  -6.746
  899   HD23  LEU 117          HD23      LEU 117   9.390  15.470  -5.901
  900    H    TYR 118           H        TYR 118   4.798  12.406  -3.676
  901    HA   TYR 118           HA       TYR 118   6.376  10.191  -2.770
  902    HB2  TYR 118           HB2      TYR 118   3.351  10.232  -3.081
  903    HB3  TYR 118           HB3      TYR 118   4.271   9.163  -2.069
  904    HD1  TYR 118           HD1      TYR 118   6.114  11.666  -1.011
  905    HD2  TYR 118           HD2      TYR 118   1.894  10.779  -1.256
  906    HE1  TYR 118           HE1      TYR 118   5.673  13.255   0.822
  907    HE2  TYR 118           HE2      TYR 118   1.432  12.389   0.540
  908    HH   TYR 118           HH       TYR 118   2.379  13.961   2.046
  909    H    TRP 119           H        TRP 119   3.913  10.436  -5.384
  910    HA   TRP 119           HA       TRP 119   4.120   7.789  -6.366
  911    HB2  TRP 119           HB2      TRP 119   2.281   9.159  -6.915
  912    HB3  TRP 119           HB3      TRP 119   3.289  10.453  -7.525
  913    HD1  TRP 119           HD1      TRP 119   4.587   9.980  -9.889
  914    HE1  TRP 119           HE1      TRP 119   3.757   8.810 -11.970
  915    HE3  TRP 119           HE3      TRP 119   0.767   7.285  -7.794
  916    HZ2  TRP 119           HZ2      TRP 119   1.535   7.087 -12.702
  917    HZ3  TRP 119           HZ3      TRP 119  -0.743   5.944  -9.228
  918    HH2  TRP 119           HH2      TRP 119  -0.383   5.848 -11.690
  919    H    LEU 120           H        LEU 120   5.997  10.738  -7.298
  920    HA   LEU 120           HA       LEU 120   7.546   9.579  -9.325
  921    HB2  LEU 120           HB2      LEU 120   7.342  11.987  -8.803
  922    HB3  LEU 120           HB3      LEU 120   8.173  11.735  -7.273
  923    HG   LEU 120           HG       LEU 120  10.254  11.105  -8.498
  924   HD11  LEU 120          HD11      LEU 120   9.467  10.322 -10.623
  925   HD12  LEU 120          HD12      LEU 120   8.567  11.836 -10.938
  926   HD13  LEU 120          HD13      LEU 120  10.346  11.811 -10.946
  927   HD21  LEU 120          HD21      LEU 120  10.717  13.447  -9.247
  928   HD22  LEU 120          HD22      LEU 120   8.978  13.801  -9.120
  929   HD23  LEU 120          HD23      LEU 120   9.912  13.369  -7.675
  930    H    ALA 121           H        ALA 121   8.295   9.858  -5.788
  931    HA   ALA 121           HA       ALA 121  10.754   8.425  -5.932
  932    HB1  ALA 121           HB1      ALA 121  10.177   9.887  -4.059
  933    HB2  ALA 121           HB2      ALA 121   8.809   8.843  -3.625
  934    HB3  ALA 121           HB3      ALA 121  10.473   8.240  -3.464
  935    H    ARG 122           H        ARG 122   7.395   7.319  -5.627
  936    HA   ARG 122           HA       ARG 122   8.087   4.542  -5.065
  937    HB2  ARG 122           HB2      ARG 122   5.518   5.997  -5.794
  938    HB3  ARG 122           HB3      ARG 122   5.580   4.245  -5.549
  939    HG2  ARG 122           HG2      ARG 122   6.269   4.489  -3.259
  940    HG3  ARG 122           HG3      ARG 122   6.521   6.220  -3.458
  941    HD2  ARG 122           HD2      ARG 122   4.459   5.913  -2.282
  942    HD3  ARG 122           HD3      ARG 122   4.071   6.490  -3.914
  943    HE   ARG 122           HE       ARG 122   4.090   3.610  -3.781
  944   HH11  ARG 122          HH11      ARG 122   2.062   6.388  -2.851
  945   HH12  ARG 122          HH12      ARG 122   0.616   5.427  -2.696
  946   HH21  ARG 122          HH21      ARG 122   2.118   2.410  -3.726
  947   HH22  ARG 122          HH22      ARG 122   0.637   3.196  -3.265
  948    H    GLY 123           H        GLY 123   8.524   6.281  -7.900
  949    HA2  GLY 123           HA2      GLY 123   9.259   5.486  -9.904
  950    HA3  GLY 123           HA3      GLY 123   9.183   3.846  -9.239
  951    H    TYR 124           H        TYR 124   6.423   6.049  -9.502
  952    HA   TYR 124           HA       TYR 124   4.512   6.135 -10.574
  953    HB2  TYR 124           HB2      TYR 124   6.479   5.303 -12.651
  954    HB3  TYR 124           HB3      TYR 124   4.788   5.402 -13.110
  955    HD1  TYR 124           HD1      TYR 124   7.206   7.498 -11.071
  956    HD2  TYR 124           HD2      TYR 124   4.224   7.375 -14.195
  957    HE1  TYR 124           HE1      TYR 124   7.540   9.881 -11.494
  958    HE2  TYR 124           HE2      TYR 124   4.561   9.787 -14.605
  959    HH   TYR 124           HH       TYR 124   5.901  11.694 -14.090
  960    H    LYS 125           H        LYS 125   2.688   5.159 -11.581
  961    HA   LYS 125           HA       LYS 125   2.568   2.184 -11.506
  962    HB2  LYS 125           HB2      LYS 125   0.632   3.962 -10.000
  963    HB3  LYS 125           HB3      LYS 125   0.601   2.214 -10.031
  964    HG2  LYS 125           HG2      LYS 125   2.895   3.801  -8.837
  965    HG3  LYS 125           HG3      LYS 125   1.487   3.321  -7.914
  966    HD2  LYS 125           HD2      LYS 125   1.942   1.032  -8.032
  967    HD3  LYS 125           HD3      LYS 125   3.033   1.175  -9.406
  968    HE2  LYS 125           HE2      LYS 125   3.812   2.656  -6.914
  969    HE3  LYS 125           HE3      LYS 125   3.862   0.892  -6.811
  970    HZ1  LYS 125           HZ1      LYS 125   5.469   0.779  -8.463
  971    HZ2  LYS 125           HZ2      LYS 125   5.171   2.271  -9.056
  972    HZ3  LYS 125           HZ3      LYS 125   5.956   2.108  -7.628
  973    H    PHE 126           H        PHE 126   2.131   4.659 -13.368
  974    HA   PHE 126           HA       PHE 126  -0.486   4.691 -14.444
  975    HB2  PHE 126           HB2      PHE 126   2.244   4.851 -15.739
  976    HB3  PHE 126           HB3      PHE 126   0.764   4.989 -16.675
  977    HD1  PHE 126           HD2      PHE 126  -0.635   6.824 -14.365
  978    HD2  PHE 126           HD1      PHE 126   2.986   6.952 -16.708
  979    HE1  PHE 126           HE2      PHE 126  -0.590   9.287 -14.176
  980    HE2  PHE 126           HE1      PHE 126   2.990   9.418 -16.558
  981    HZ   PHE 126           HZ       PHE 126   1.204  10.598 -15.291
  Start of MODEL    9
    1    H1   MET   1           H1       MET   1   0.561  -0.702  -0.564
    2    H2   MET   1           H2       MET   1   0.293   0.810  -1.129
    3    H3   MET   1           H3       MET   1   1.749   0.079  -1.397
    4    HA   MET   1           HA       MET   1   0.622   1.010   1.150
    5    HB2  MET   1           HB2      MET   1   3.204  -0.533   0.674
    6    HB3  MET   1           HB3      MET   1   2.860   0.392   2.137
    7    HG2  MET   1           HG2      MET   1   0.846  -0.970   2.558
    8    HG3  MET   1           HG3      MET   1   1.201  -1.943   1.124
    9    HE1  MET   1           HE1      MET   1   1.007  -4.144   2.565
   10    HE2  MET   1           HE2      MET   1   1.909  -4.422   4.071
   11    HE3  MET   1           HE3      MET   1   0.655  -3.164   4.008
   12    H    ALA   2           H        ALA   2   0.417   3.104   0.143
   13    HA   ALA   2           HA       ALA   2   2.735   4.501  -0.901
   14    HB1  ALA   2           HB1      ALA   2   1.199   6.418  -1.003
   15    HB2  ALA   2           HB2      ALA   2   0.424   4.963  -1.653
   16    HB3  ALA   2           HB3      ALA   2   0.008   5.541  -0.025
   17    H    SER   3           H        SER   3   3.414   3.450   1.664
   18    HA   SER   3           HA       SER   3   2.975   5.247   3.793
   19    HB2  SER   3           HB2      SER   3   5.208   3.199   3.573
   20    HB3  SER   3           HB3      SER   3   4.378   3.759   5.040
   21    HG   SER   3           HG       SER   3   3.603   1.728   4.367
   22    H    VAL   4           H        VAL   4   4.440   6.290   1.323
   23    HA   VAL   4           HA       VAL   4   6.959   7.345   2.274
   24    HB   VAL   4           HB       VAL   4   5.312   8.707   0.155
   25   HG11  VAL   4          HG11      VAL   4   7.543   9.055  -0.867
   26   HG12  VAL   4          HG12      VAL   4   7.526   9.632   0.807
   27   HG13  VAL   4          HG13      VAL   4   8.291   8.080   0.413
   28   HG21  VAL   4          HG21      VAL   4   5.066   6.394  -0.572
   29   HG22  VAL   4          HG22      VAL   4   6.274   7.173  -1.582
   30   HG23  VAL   4          HG23      VAL   4   6.797   6.079  -0.284
   31    H    GLU   5           H        GLU   5   3.515   8.172   2.683
   32    HA   GLU   5           HA       GLU   5   4.409   9.987   4.808
   33    HB2  GLU   5           HB2      GLU   5   4.055  11.417   2.725
   34    HB3  GLU   5           HB3      GLU   5   2.350  10.977   2.822
   35    HG2  GLU   5           HG2      GLU   5   2.612  11.810   5.349
   36    HG3  GLU   5           HG3      GLU   5   4.067  12.593   4.750
   37    H    ARG   6           H        ARG   6   1.179   9.244   3.246
   38    HA   ARG   6           HA       ARG   6   0.206   8.591   5.996
   39    HB2  ARG   6           HB2      ARG   6  -1.351   9.793   3.692
   40    HB3  ARG   6           HB3      ARG   6  -1.901   9.589   5.357
   41    HG2  ARG   6           HG2      ARG   6  -0.249  11.219   6.156
   42    HG3  ARG   6           HG3      ARG   6   0.394  11.378   4.511
   43    HD2  ARG   6           HD2      ARG   6  -1.839  12.126   3.730
   44    HD3  ARG   6           HD3      ARG   6  -2.370  12.212   5.432
   45    HE   ARG   6           HE       ARG   6   0.020  13.624   5.334
   46   HH11  ARG   6          HH11      ARG   6  -3.093  14.097   3.647
   47   HH12  ARG   6          HH12      ARG   6  -2.515  15.539   2.848
   48   HH21  ARG   6          HH21      ARG   6   0.631  15.493   4.410
   49   HH22  ARG   6          HH22      ARG   6  -0.514  16.535   3.555
   50    H    ASP   7           H        ASP   7   1.148   6.794   3.644
   51    HA   ASP   7           HA       ASP   7   0.578   4.858   2.629
   52    HB2  ASP   7           HB2      ASP   7   1.200   4.200   4.894
   53    HB3  ASP   7           HB3      ASP   7  -0.491   4.264   5.384
   54    H    GLU   8           H        GLU   8  -2.209   3.775   4.241
   55    HA   GLU   8           HA       GLU   8  -3.474   3.518   1.793
   56    HB2  GLU   8           HB2      GLU   8  -5.344   2.606   2.939
   57    HB3  GLU   8           HB3      GLU   8  -3.835   2.008   3.621
   58    HG2  GLU   8           HG2      GLU   8  -4.055   3.631   5.517
   59    HG3  GLU   8           HG3      GLU   8  -5.579   4.206   4.839
   60    H    THR   9           H        THR   9  -3.523   6.323   3.842
   61    HA   THR   9           HA       THR   9  -6.085   7.374   3.104
   62    HB   THR   9           HB       THR   9  -3.635   9.051   3.654
   63    HG1  THR   9           HG1      THR   9  -3.407   7.662   5.253
   64   HG21  THR   9          HG21      THR   9  -5.232  10.451   4.908
   65   HG22  THR   9          HG22      THR   9  -5.765  10.227   3.234
   66   HG23  THR   9          HG23      THR   9  -6.542   9.305   4.538
   67    H    ARG  10           H        ARG  10  -2.829   7.469   1.516
   68    HA   ARG  10           HA       ARG  10  -3.874   9.407  -0.444
   69    HB2  ARG  10           HB2      ARG  10  -1.117   8.158  -0.126
   70    HB3  ARG  10           HB3      ARG  10  -1.597   9.195  -1.480
   71    HG2  ARG  10           HG2      ARG  10  -2.335  10.934   0.260
   72    HG3  ARG  10           HG3      ARG  10  -1.488   9.959   1.462
   73    HD2  ARG  10           HD2      ARG  10   0.627  10.240   0.240
   74    HD3  ARG  10           HD3      ARG  10  -0.200  11.109  -1.054
   75    HE   ARG  10           HE       ARG  10   0.735  12.191   1.465
   76   HH11  ARG  10          HH21      ARG  10  -1.771  12.773  -1.049
   77   HH12  ARG  10          HH22      ARG  10  -2.014  14.408  -0.492
   78   HH21  ARG  10          HH11      ARG  10   0.479  14.272   1.961
   79   HH22  ARG  10          HH12      ARG  10  -0.784  15.274   1.231
   80    H    GLU  11           H        GLU  11  -2.840   5.933  -0.446
   81    HA   GLU  11           HA       GLU  11  -3.434   5.687  -3.232
   82    HB2  GLU  11           HB2      GLU  11  -3.465   3.221  -2.807
   83    HB3  GLU  11           HB3      GLU  11  -1.986   4.091  -2.384
   84    HG2  GLU  11           HG2      GLU  11  -2.577   4.034  -0.035
   85    HG3  GLU  11           HG3      GLU  11  -4.104   3.202  -0.403
   86    H    HIS  12           H        HIS  12  -5.587   5.335  -0.357
   87    HA   HIS  12           HA       HIS  12  -7.837   4.381  -1.841
   88    HB2  HIS  12           HB2      HIS  12  -7.715   4.406   0.622
   89    HB3  HIS  12           HB3      HIS  12  -7.753   6.169   0.624
   90    HD1  HIS  12           HD1      HIS  12 -10.356   6.099  -1.670
   91    HD2  HIS  12           HD2      HIS  12  -9.895   4.371   2.160
   92    HE1  HIS  12           HE1      HIS  12 -12.681   5.782  -0.741
   93    H    ARG  13           H        ARG  13  -6.753   7.773  -1.056
   94    HA   ARG  13           HA       ARG  13  -8.908   9.059  -2.390
   95    HB2  ARG  13           HB2      ARG  13  -6.099   9.858  -1.685
   96    HB3  ARG  13           HB3      ARG  13  -7.123  10.938  -2.648
   97    HG2  ARG  13           HG2      ARG  13  -8.773  11.117  -0.926
   98    HG3  ARG  13           HG3      ARG  13  -8.058   9.796   0.008
   99    HD2  ARG  13           HD2      ARG  13  -7.552  11.956   1.006
  100    HD3  ARG  13           HD3      ARG  13  -6.092  11.110   0.514
  101    HE   ARG  13           HE       ARG  13  -7.231  13.600  -0.595
  102   HH11  ARG  13          HH21      ARG  13  -4.768  11.113  -0.986
  103   HH12  ARG  13          HH22      ARG  13  -3.719  12.041  -2.006
  104   HH21  ARG  13          HH11      ARG  13  -5.844  14.912  -1.900
  105   HH22  ARG  13          HH12      ARG  13  -4.382  14.264  -2.543
  106    H    ILE  14           H        ILE  14  -5.685   8.024  -3.637
  107    HA   ILE  14           HA       ILE  14  -5.985   9.028  -6.257
  108    HB   ILE  14           HB       ILE  14  -4.474   6.671  -5.089
  109   HG12  ILE  14          HG12      ILE  14  -3.423   9.283  -6.245
  110   HG13  ILE  14          HG13      ILE  14  -3.883   9.141  -4.561
  111   HG21  ILE  14          HG21      ILE  14  -4.886   6.074  -7.420
  112   HG22  ILE  14          HG22      ILE  14  -4.319   7.673  -7.963
  113   HG23  ILE  14          HG23      ILE  14  -3.196   6.517  -7.213
  114   HD11  ILE  14          HD11      ILE  14  -1.502   8.870  -4.715
  115   HD12  ILE  14          HD12      ILE  14  -2.203   7.311  -4.259
  116   HD13  ILE  14          HD13      ILE  14  -1.660   7.593  -5.929
  117    H    GLU  15           H        GLU  15  -6.812   5.767  -4.964
  118    HA   GLU  15           HA       GLU  15  -7.841   4.772  -7.354
  119    HB2  GLU  15           HB2      GLU  15  -7.156   3.391  -5.472
  120    HB3  GLU  15           HB3      GLU  15  -8.450   4.039  -4.454
  121    HG2  GLU  15           HG2      GLU  15 -10.151   3.010  -5.855
  122    HG3  GLU  15           HG3      GLU  15  -8.933   2.483  -7.024
  123    H    THR  16           H        THR  16  -9.675   6.459  -4.703
  124    HA   THR  16           HA       THR  16 -12.132   5.988  -6.263
  125    HB   THR  16           HB       THR  16 -13.302   6.607  -4.222
  126    HG1  THR  16           HG1      THR  16 -12.108   7.983  -3.150
  127   HG21  THR  16          HG21      THR  16 -12.699   4.667  -2.916
  128   HG22  THR  16          HG22      THR  16 -12.517   4.260  -4.626
  129   HG23  THR  16          HG23      THR  16 -11.078   4.601  -3.641
  130    H    GLU  17           H        GLU  17  -9.971   8.640  -5.823
  131    HA   GLU  17           HA       GLU  17 -12.097  10.523  -6.727
  132    HB2  GLU  17           HB2      GLU  17  -9.597  11.394  -5.289
  133    HB3  GLU  17           HB3      GLU  17 -11.099  12.257  -5.523
  134    HG2  GLU  17           HG2      GLU  17 -10.576   9.943  -3.625
  135    HG3  GLU  17           HG3      GLU  17 -10.888  11.616  -3.211
  136    H    ILE  18           H        ILE  18  -8.955   9.192  -7.631
  137    HA   ILE  18           HA       ILE  18  -8.592  11.450  -9.556
  138    HB   ILE  18           HB       ILE  18  -6.467   9.628  -8.387
  139   HG12  ILE  18          HG12      ILE  18  -7.406  12.413  -7.589
  140   HG13  ILE  18          HG13      ILE  18  -7.364  10.974  -6.584
  141   HG21  ILE  18          HG21      ILE  18  -6.221  12.189 -10.002
  142   HG22  ILE  18          HG22      ILE  18  -4.885  11.201  -9.368
  143   HG23  ILE  18          HG23      ILE  18  -5.922  10.555 -10.624
  144   HD11  ILE  18          HD11      ILE  18  -4.842  11.017  -6.737
  145   HD12  ILE  18          HD12      ILE  18  -4.986  12.608  -7.519
  146   HD13  ILE  18          HD13      ILE  18  -5.587  12.375  -5.871
  147    H    ILE  19           H        ILE  19  -8.119   7.845  -9.307
  148    HA   ILE  19           HA       ILE  19  -8.363   7.762 -12.283
  149    HB   ILE  19           HB       ILE  19  -7.071   5.746 -12.211
  150   HG12  ILE  19          HG12      ILE  19  -6.597   6.378  -9.267
  151   HG13  ILE  19          HG13      ILE  19  -7.633   5.066  -9.864
  152   HG21  ILE  19          HG21      ILE  19  -5.640   8.099 -10.905
  153   HG22  ILE  19          HG22      ILE  19  -4.948   6.873 -11.983
  154   HG23  ILE  19          HG23      ILE  19  -6.118   8.025 -12.616
  155   HD11  ILE  19          HD11      ILE  19  -5.505   4.138  -9.332
  156   HD12  ILE  19          HD12      ILE  19  -5.633   4.201 -11.116
  157   HD13  ILE  19          HD13      ILE  19  -4.658   5.414 -10.238
  158    H    VAL  20           H        VAL  20 -10.448   7.456  -9.885
  159    HA   VAL  20           HA       VAL  20 -11.600   4.963 -10.011
  160    HB   VAL  20           HB       VAL  20 -12.116   6.848  -8.505
  161   HG11  VAL  20          HG11      VAL  20 -13.791   8.522  -9.013
  162   HG12  VAL  20          HG12      VAL  20 -12.428   8.684 -10.124
  163   HG13  VAL  20          HG13      VAL  20 -13.945   7.931 -10.672
  164   HG21  VAL  20          HG21      VAL  20 -13.530   4.839  -8.530
  165   HG22  VAL  20          HG22      VAL  20 -14.446   6.292  -8.100
  166   HG23  VAL  20          HG23      VAL  20 -14.599   5.602  -9.729
  167    H    ASP  21           H        ASP  21 -11.926   7.561 -12.427
  168    HA   ASP  21           HA       ASP  21 -13.989   6.101 -13.933
  169    HB2  ASP  21           HB2      ASP  21 -14.087   8.552 -13.563
  170    HB3  ASP  21           HB3      ASP  21 -12.571   8.743 -14.445
  171    H    ALA  22           H        ALA  22 -10.631   5.892 -13.765
  172    HA   ALA  22           HA       ALA  22 -10.047   5.851 -16.634
  173    HB1  ALA  22           HB1      ALA  22  -8.281   5.112 -14.266
  174    HB2  ALA  22           HB2      ALA  22  -7.772   5.441 -15.929
  175    HB3  ALA  22           HB3      ALA  22  -8.434   6.754 -14.946
  176    H    GLU  23           H        GLU  23  -8.538   3.869 -17.269
  177    HA   GLU  23           HA       GLU  23  -9.639   1.280 -16.362
  178    HB2  GLU  23           HB2      GLU  23 -11.143   2.096 -18.166
  179    HB3  GLU  23           HB3      GLU  23  -9.761   2.228 -19.260
  180    HG2  GLU  23           HG2      GLU  23  -9.380  -0.214 -19.091
  181    HG3  GLU  23           HG3      GLU  23 -10.691  -0.351 -17.917
  182    H    ASP  24           H        ASP  24  -7.342   3.005 -18.594
  183    HA   ASP  24           HA       ASP  24  -5.258   0.995 -17.943
  184    HB2  ASP  24           HB2      ASP  24  -6.478   0.488 -20.153
  185    HB3  ASP  24           HB3      ASP  24  -5.764   2.005 -20.740
  186    H    LYS  25           H        LYS  25  -3.122   1.890 -18.950
  187    HA   LYS  25           HA       LYS  25  -2.454   3.998 -17.332
  188    HB2  LYS  25           HB2      LYS  25  -0.312   4.041 -18.215
  189    HB3  LYS  25           HB3      LYS  25  -0.845   2.379 -18.311
  190    HG2  LYS  25           HG2      LYS  25  -0.738   4.357 -20.642
  191    HG3  LYS  25           HG3      LYS  25   0.532   3.228 -20.235
  192    HD2  LYS  25           HD2      LYS  25  -2.263   2.389 -21.095
  193    HD3  LYS  25           HD3      LYS  25  -0.862   2.524 -22.156
  194    HE2  LYS  25           HE2      LYS  25   0.366   0.841 -20.826
  195    HE3  LYS  25           HE3      LYS  25  -1.011   0.690 -19.724
  196    HZ1  LYS  25           HZ1      LYS  25  -1.077   0.007 -22.603
  197    HZ2  LYS  25           HZ2      LYS  25  -1.025  -1.057 -21.365
  198    HZ3  LYS  25           HZ3      LYS  25  -2.347  -0.109 -21.556
  199    H    GLU  26           H        GLU  26  -3.542   4.435 -20.687
  200    HA   GLU  26           HA       GLU  26  -2.696   7.207 -20.835
  201    HB2  GLU  26           HB2      GLU  26  -4.775   5.621 -22.411
  202    HB3  GLU  26           HB3      GLU  26  -4.240   7.259 -22.809
  203    HG2  GLU  26           HG2      GLU  26  -1.929   6.456 -23.138
  204    HG3  GLU  26           HG3      GLU  26  -2.412   4.817 -22.706
  205    H    GLU  27           H        GLU  27  -5.701   5.489 -19.928
  206    HA   GLU  27           HA       GLU  27  -7.275   7.900 -19.536
  207    HB2  GLU  27           HB2      GLU  27  -7.714   5.089 -18.450
  208    HB3  GLU  27           HB3      GLU  27  -8.907   6.380 -18.550
  209    HG2  GLU  27           HG2      GLU  27  -7.612   4.892 -20.870
  210    HG3  GLU  27           HG3      GLU  27  -9.269   4.733 -20.306
  211    H    ARG  28           H        ARG  28  -5.225   5.789 -17.500
  212    HA   ARG  28           HA       ARG  28  -5.996   7.025 -15.001
  213    HB2  ARG  28           HB2      ARG  28  -3.482   5.481 -15.769
  214    HB3  ARG  28           HB3      ARG  28  -3.941   5.923 -14.120
  215    HG2  ARG  28           HG2      ARG  28  -5.892   4.503 -14.162
  216    HG3  ARG  28           HG3      ARG  28  -5.737   4.222 -15.892
  217    HD2  ARG  28           HD2      ARG  28  -3.399   3.207 -15.294
  218    HD3  ARG  28           HD3      ARG  28  -4.070   3.112 -13.652
  219    HE   ARG  28           HE       ARG  28  -5.941   1.998 -15.474
  220   HH11  ARG  28          HH11      ARG  28  -2.801   1.260 -14.001
  221   HH12  ARG  28          HH12      ARG  28  -2.917  -0.444 -14.267
  222   HH21  ARG  28          HH21      ARG  28  -6.082  -0.252 -15.891
  223   HH22  ARG  28          HH22      ARG  28  -4.854  -1.329 -15.313
  224    H    ALA  29           H        ALA  29  -3.311   7.652 -17.325
  225    HA   ALA  29           HA       ALA  29  -2.163   9.819 -15.910
  226    HB1  ALA  29           HB1      ALA  29  -1.103   8.731 -17.857
  227    HB2  ALA  29           HB2      ALA  29  -2.382   9.360 -18.918
  228    HB3  ALA  29           HB3      ALA  29  -1.268  10.480 -18.109
  229    H    MET  30           H        MET  30  -4.942   9.736 -18.253
  230    HA   MET  30           HA       MET  30  -5.409  12.559 -18.108
  231    HB2  MET  30           HB2      MET  30  -7.250  10.265 -18.822
  232    HB3  MET  30           HB3      MET  30  -7.731  11.957 -18.872
  233    HG2  MET  30           HG2      MET  30  -5.445  10.756 -20.478
  234    HG3  MET  30           HG3      MET  30  -7.062  11.094 -21.065
  235    HE1  MET  30           HE1      MET  30  -3.638  12.184 -20.273
  236    HE2  MET  30           HE2      MET  30  -3.500  13.832 -20.923
  237    HE3  MET  30           HE3      MET  30  -4.042  13.585 -19.264
  238    H    GLY  31           H        GLY  31  -6.643   9.878 -16.056
  239    HA2  GLY  31           HA2      GLY  31  -8.407  11.371 -14.454
  240    HA3  GLY  31           HA3      GLY  31  -7.467   9.960 -13.927
  241    H    TRP  32           H        TRP  32  -4.877  10.755 -13.944
  242    HA   TRP  32           HA       TRP  32  -4.534  12.448 -11.693
  243    HB2  TRP  32           HB2      TRP  32  -2.678  11.456 -13.879
  244    HB3  TRP  32           HB3      TRP  32  -2.133  12.596 -12.664
  245    HD1  TRP  32           HD1      TRP  32  -2.618   8.934 -13.152
  246    HE1  TRP  32           HE1      TRP  32  -1.941   7.676 -11.043
  247    HE3  TRP  32           HE3      TRP  32  -2.310  12.907  -9.944
  248    HZ2  TRP  32           HZ2      TRP  32  -1.328   8.321  -8.274
  249    HZ3  TRP  32           HZ3      TRP  32  -1.629  12.558  -7.583
  250    HH2  TRP  32           HH2      TRP  32  -1.108  10.280  -6.755
  251    H    TYR  33           H        TYR  33  -4.207  13.181 -15.212
  252    HA   TYR  33           HA       TYR  33  -3.244  15.813 -14.884
  253    HB2  TYR  33           HB2      TYR  33  -2.969  14.724 -16.979
  254    HB3  TYR  33           HB3      TYR  33  -4.668  14.307 -17.075
  255    HD1  TYR  33           HD2      TYR  33  -2.701  17.523 -16.738
  256    HD2  TYR  33           HD1      TYR  33  -5.857  15.366 -18.722
  257    HE1  TYR  33           HE2      TYR  33  -3.199  19.519 -18.102
  258    HE2  TYR  33           HE1      TYR  33  -6.412  17.380 -20.041
  259    HH   TYR  33           HH       TYR  33  -4.538  20.439 -19.764
  260    H    TYR  34           H        TYR  34  -6.657  14.611 -15.275
  261    HA   TYR  34           HA       TYR  34  -7.793  17.233 -15.390
  262    HB2  TYR  34           HB2      TYR  34  -9.014  14.590 -14.499
  263    HB3  TYR  34           HB3      TYR  34  -9.908  16.046 -14.901
  264    HD1  TYR  34           HD1      TYR  34  -7.773  16.407 -17.481
  265    HD2  TYR  34           HD2      TYR  34 -10.557  13.440 -16.031
  266    HE1  TYR  34           HE1      TYR  34  -8.143  15.625 -19.791
  267    HE2  TYR  34           HE2      TYR  34 -10.907  12.633 -18.345
  268    HH   TYR  34           HH       TYR  34  -9.250  14.112 -21.173
  269    H    TYR  35           H        TYR  35  -7.240  14.910 -12.670
  270    HA   TYR  35           HA       TYR  35  -8.627  16.462 -10.735
  271    HB2  TYR  35           HB2      TYR  35  -7.948  14.038 -10.582
  272    HB3  TYR  35           HB3      TYR  35  -6.291  14.560 -10.299
  273    HD1  TYR  35           HD2      TYR  35  -9.752  14.494  -8.940
  274    HD2  TYR  35           HD1      TYR  35  -5.621  15.414  -8.105
  275    HE1  TYR  35           HE2      TYR  35 -10.275  14.629  -6.527
  276    HE2  TYR  35           HE1      TYR  35  -6.131  15.566  -5.694
  277    HH   TYR  35           HH       TYR  35  -7.784  15.404  -4.052
  278    H    LEU  36           H        LEU  36  -5.145  16.401 -11.679
  279    HA   LEU  36           HA       LEU  36  -4.322  18.338  -9.717
  280    HB2  LEU  36           HB2      LEU  36  -3.134  17.044 -12.163
  281    HB3  LEU  36           HB3      LEU  36  -2.411  18.532 -11.603
  282    HG   LEU  36           HG       LEU  36  -1.759  17.656  -9.513
  283   HD11  LEU  36          HD11      LEU  36  -3.449  15.180 -10.050
  284   HD12  LEU  36          HD12      LEU  36  -2.257  15.342  -8.740
  285   HD13  LEU  36          HD13      LEU  36  -3.674  16.388  -8.762
  286   HD21  LEU  36          HD21      LEU  36  -1.391  15.390 -11.532
  287   HD22  LEU  36          HD22      LEU  36  -0.476  16.906 -11.559
  288   HD23  LEU  36          HD23      LEU  36  -0.315  15.803 -10.178
  289    H    ASP  37           H        ASP  37  -5.269  18.607 -13.208
  290    HA   ASP  37           HA       ASP  37  -4.839  21.395 -13.413
  291    HB2  ASP  37           HB2      ASP  37  -5.216  19.976 -15.361
  292    HB3  ASP  37           HB3      ASP  37  -6.841  19.572 -14.799
  293    H    ASP  38           H        ASP  38  -7.621  19.580 -12.086
  294    HA   ASP  38           HA       ASP  38  -9.263  21.951 -11.751
  295    HB2  ASP  38           HB2      ASP  38 -10.223  19.704 -12.031
  296    HB3  ASP  38           HB3      ASP  38  -9.450  19.167 -10.538
  297    H    THR  39           H        THR  39  -6.671  20.491  -9.891
  298    HA   THR  39           HA       THR  39  -7.679  21.676  -7.349
  299    HB   THR  39           HB       THR  39  -5.437  19.713  -7.978
  300    HG1  THR  39           HG1      THR  39  -7.309  18.733  -8.290
  301   HG21  THR  39          HG21      THR  39  -6.479  20.804  -5.348
  302   HG22  THR  39          HG22      THR  39  -5.592  19.268  -5.462
  303   HG23  THR  39          HG23      THR  39  -4.816  20.788  -5.944
  304    H    LEU  40           H        LEU  40  -4.785  21.800  -9.467
  305    HA   LEU  40           HA       LEU  40  -3.178  23.272  -7.619
  306    HB2  LEU  40           HB2      LEU  40  -3.014  22.902 -10.632
  307    HB3  LEU  40           HB3      LEU  40  -1.734  23.626  -9.673
  308    HG   LEU  40           HG       LEU  40  -2.721  20.784  -9.179
  309   HD11  LEU  40          HD11      LEU  40  -0.426  21.722 -10.971
  310   HD12  LEU  40          HD12      LEU  40  -0.805  20.034 -10.573
  311   HD13  LEU  40          HD13      LEU  40  -1.947  20.994 -11.525
  312   HD21  LEU  40          HD21      LEU  40  -1.416  21.605  -7.339
  313   HD22  LEU  40          HD22      LEU  40  -0.515  20.391  -8.233
  314   HD23  LEU  40          HD23      LEU  40  -0.100  22.105  -8.441
  315    H    GLU  41           H        GLU  41  -3.239  25.410  -7.139
  316    HA   GLU  41           HA       GLU  41  -5.073  27.193  -8.525
  317    HB2  GLU  41           HB2      GLU  41  -3.254  27.534  -6.102
  318    HB3  GLU  41           HB3      GLU  41  -4.361  28.774  -6.680
  319    HG2  GLU  41           HG2      GLU  41  -5.291  26.012  -5.796
  320    HG3  GLU  41           HG3      GLU  41  -5.200  27.416  -4.747
  321    H    PHE  42           H        PHE  42  -3.281  26.535 -10.421
  322    HA   PHE  42           HA       PHE  42  -1.013  28.316 -10.574
  323    HB2  PHE  42           HB2      PHE  42  -0.866  27.584 -12.900
  324    HB3  PHE  42           HB3      PHE  42  -1.024  26.240 -11.800
  325    HD1  PHE  42           HD1      PHE  42  -2.927  28.385 -14.229
  326    HD2  PHE  42           HD2      PHE  42  -2.718  24.614 -12.147
  327    HE1  PHE  42           HE1      PHE  42  -4.768  27.505 -15.636
  328    HE2  PHE  42           HE2      PHE  42  -4.562  23.739 -13.560
  329    HZ   PHE  42           HZ       PHE  42  -5.590  25.179 -15.304
  330    HA   PRO  43           HA       PRO  43   0.006  29.507 -12.643
  331    HB2  PRO  43           HB2      PRO  43   0.839  32.103 -12.750
  332    HB3  PRO  43           HB3      PRO  43  -0.026  31.299 -14.093
  333    HG2  PRO  43           HG2      PRO  43  -1.193  33.110 -11.966
  334    HG3  PRO  43           HG3      PRO  43  -1.443  33.174 -13.741
  335    HD2  PRO  43           HD2      PRO  43  -3.220  31.948 -12.074
  336    HD3  PRO  43           HD3      PRO  43  -2.869  31.293 -13.699
  337    H    PHE  44           H        PHE  44   1.839  29.497 -11.245
  338    HA   PHE  44           HA       PHE  44   1.712  30.987  -8.728
  339    HB2  PHE  44           HB2      PHE  44   1.941  29.097  -7.264
  340    HB3  PHE  44           HB3      PHE  44   0.418  29.007  -8.113
  341    HD1  PHE  44           HD2      PHE  44   3.918  27.644  -8.188
  342    HD2  PHE  44           HD1      PHE  44  -0.226  26.906  -9.041
  343    HE1  PHE  44           HE2      PHE  44   4.467  25.309  -8.686
  344    HE2  PHE  44           HE1      PHE  44   0.322  24.548  -9.577
  345    HZ   PHE  44           HZ       PHE  44   2.661  23.731  -9.401
  346    H    MET  45           H        MET  45   3.847  30.644  -7.486
  347    HA   MET  45           HA       MET  45   6.017  30.556  -9.515
  348    HB2  MET  45           HB2      MET  45   5.785  32.531  -7.995
  349    HB3  MET  45           HB3      MET  45   5.939  31.463  -6.591
  350    HG2  MET  45           HG2      MET  45   8.224  30.822  -7.386
  351    HG3  MET  45           HG3      MET  45   8.057  31.978  -8.711
  352    HE1  MET  45           HE1      MET  45  10.407  31.750  -6.723
  353    HE2  MET  45           HE2      MET  45  10.374  33.044  -7.939
  354    HE3  MET  45           HE3      MET  45  10.744  33.434  -6.243
  355    H    GLY  46           H        GLY  46   7.808  29.074  -9.303
  356    HA2  GLY  46           HA2      GLY  46   7.936  27.375  -6.934
  357    HA3  GLY  46           HA3      GLY  46   7.523  26.519  -8.426
  358    H    LYS  47           H        LYS  47   9.721  25.772  -7.186
  359    HA   LYS  47           HA       LYS  47  11.963  26.911  -8.784
  360    HB2  LYS  47           HB2      LYS  47  12.168  26.461  -6.166
  361    HB3  LYS  47           HB3      LYS  47  12.237  24.771  -6.630
  362    HG2  LYS  47           HG2      LYS  47  14.498  25.422  -6.497
  363    HG3  LYS  47           HG3      LYS  47  14.159  25.428  -8.223
  364    HD2  LYS  47           HD2      LYS  47  15.389  27.421  -7.824
  365    HD3  LYS  47           HD3      LYS  47  13.733  27.965  -7.991
  366    HE2  LYS  47           HE2      LYS  47  13.462  28.215  -5.606
  367    HE3  LYS  47           HE3      LYS  47  15.000  27.403  -5.283
  368    HZ1  LYS  47           HZ1      LYS  47  14.839  29.946  -6.799
  369    HZ2  LYS  47           HZ2      LYS  47  15.075  29.881  -5.170
  370    HZ3  LYS  47           HZ3      LYS  47  16.173  29.241  -6.189
  371    H    TRP  48           H        TRP  48  12.491  25.758 -10.582
  372    HA   TRP  48           HA       TRP  48  11.334  23.048 -11.006
  373    HB2  TRP  48           HB2      TRP  48  11.134  24.676 -12.861
  374    HB3  TRP  48           HB3      TRP  48  12.860  24.915 -12.859
  375    HD1  TRP  48           HD1      TRP  48  12.257  21.299 -12.475
  376    HE1  TRP  48           HE1      TRP  48  12.429  20.050 -14.674
  377    HE3  TRP  48           HE3      TRP  48  12.207  25.307 -15.654
  378    HZ2  TRP  48           HZ2      TRP  48  12.538  20.698 -17.508
  379    HZ3  TRP  48           HZ3      TRP  48  12.329  24.959 -18.107
  380    HH2  TRP  48           HH2      TRP  48  12.482  22.661 -19.041
  381    H    LYS  49           H        LYS  49  12.557  21.599  -9.908
  382    HA   LYS  49           HA       LYS  49  15.442  22.041  -9.465
  383    HB2  LYS  49           HB2      LYS  49  13.541  19.863  -8.486
  384    HB3  LYS  49           HB3      LYS  49  15.247  20.021  -8.057
  385    HG2  LYS  49           HG2      LYS  49  14.605  22.439  -7.281
  386    HG3  LYS  49           HG3      LYS  49  12.942  21.852  -7.328
  387    HD2  LYS  49           HD2      LYS  49  15.231  20.962  -5.547
  388    HD3  LYS  49           HD3      LYS  49  13.671  21.660  -5.089
  389    HE2  LYS  49           HE2      LYS  49  12.622  19.521  -6.124
  390    HE3  LYS  49           HE3      LYS  49  14.276  18.869  -6.132
  391    HZ1  LYS  49           HZ1      LYS  49  14.312  19.229  -3.711
  392    HZ2  LYS  49           HZ2      LYS  49  12.771  19.811  -3.746
  393    HZ3  LYS  49           HZ3      LYS  49  13.076  18.246  -4.124
  394    H    LYS  50           H        LYS  50  15.614  22.031 -11.879
  395    HA   LYS  50           HA       LYS  50  14.881  19.687 -13.413
  396    HB2  LYS  50           HB2      LYS  50  15.100  22.084 -14.254
  397    HB3  LYS  50           HB3      LYS  50  16.851  21.920 -14.108
  398    HG2  LYS  50           HG2      LYS  50  16.798  20.032 -15.737
  399    HG3  LYS  50           HG3      LYS  50  15.035  20.173 -15.840
  400    HD2  LYS  50           HD2      LYS  50  15.272  22.492 -16.710
  401    HD3  LYS  50           HD3      LYS  50  17.039  22.340 -16.617
  402    HE2  LYS  50           HE2      LYS  50  16.935  20.393 -18.180
  403    HE3  LYS  50           HE3      LYS  50  15.181  20.587 -18.293
  404    HZ1  LYS  50           HZ1      LYS  50  17.180  22.597 -19.167
  405    HZ2  LYS  50           HZ2      LYS  50  16.310  21.634 -20.149
  406    HZ3  LYS  50           HZ3      LYS  50  15.555  22.780 -19.272
  407    H    LYS  51           H        LYS  51  16.165  17.807 -13.789
  408    HA   LYS  51           HA       LYS  51  18.791  17.662 -12.495
  409    HB2  LYS  51           HB2      LYS  51  17.269  15.697 -12.578
  410    HB3  LYS  51           HB3      LYS  51  17.451  15.641 -14.340
  411    HG2  LYS  51           HG2      LYS  51  19.947  15.402 -14.018
  412    HG3  LYS  51           HG3      LYS  51  19.692  15.366 -12.273
  413    HD2  LYS  51           HD2      LYS  51  18.542  13.359 -14.261
  414    HD3  LYS  51           HD3      LYS  51  20.021  13.128 -13.320
  415    HE2  LYS  51           HE2      LYS  51  18.710  13.341 -11.207
  416    HE3  LYS  51           HE3      LYS  51  17.226  13.522 -12.152
  417    HZ1  LYS  51           HZ1      LYS  51  17.525  11.249 -11.408
  418    HZ2  LYS  51           HZ2      LYS  51  17.596  11.290 -13.034
  419    HZ3  LYS  51           HZ3      LYS  51  18.965  11.122 -12.156
  420    H    SER  52           H        SER  52  19.947  19.361 -13.527
  421    HA   SER  52           HA       SER  52  20.912  18.683 -16.242
  422    HB2  SER  52           HB2      SER  52  20.452  21.045 -16.981
  423    HB3  SER  52           HB3      SER  52  19.039  20.011 -16.751
  424    HG   SER  52           HG       SER  52  19.940  22.187 -15.195
  425    H    ARG  53           H        ARG  53  21.913  19.339 -13.186
  426    HA   ARG  53           HA       ARG  53  23.901  21.357 -13.727
  427    HB2  ARG  53           HB2      ARG  53  22.980  20.272 -11.425
  428    HB3  ARG  53           HB3      ARG  53  24.329  19.174 -11.674
  429    HG2  ARG  53           HG2      ARG  53  24.937  20.991 -10.172
  430    HG3  ARG  53           HG3      ARG  53  25.896  21.119 -11.652
  431    HD2  ARG  53           HD2      ARG  53  24.435  22.898 -12.491
  432    HD3  ARG  53           HD3      ARG  53  23.337  22.700 -11.111
  433    HE   ARG  53           HE       ARG  53  25.740  23.268  -9.937
  434   HH11  ARG  53          HH11      ARG  53  23.827  24.900 -12.497
  435   HH12  ARG  53          HH12      ARG  53  24.351  26.481 -12.026
  436   HH21  ARG  53          HH21      ARG  53  26.428  25.386  -9.370
  437   HH22  ARG  53          HH22      ARG  53  25.859  26.760 -10.236
  438    H    LYS  54           H        LYS  54  26.313  20.878 -13.855
  439    HA   LYS  54           HA       LYS  54  26.900  19.308 -16.078
  440    HB2  LYS  54           HB2      LYS  54  28.291  21.150 -15.138
  441    HB3  LYS  54           HB3      LYS  54  28.799  20.086 -13.817
  442    HG2  LYS  54           HG2      LYS  54  29.878  18.564 -15.442
  443    HG3  LYS  54           HG3      LYS  54  29.294  19.567 -16.786
  444    HD2  LYS  54           HD2      LYS  54  30.631  21.477 -15.936
  445    HD3  LYS  54           HD3      LYS  54  31.203  20.474 -14.583
  446    HE2  LYS  54           HE2      LYS  54  32.217  18.880 -16.200
  447    HE3  LYS  54           HE3      LYS  54  31.649  19.877 -17.545
  448    HZ1  LYS  54           HZ1      LYS  54  33.069  21.668 -16.730
  449    HZ2  LYS  54           HZ2      LYS  54  33.596  20.746 -15.486
  450    HZ3  LYS  54           HZ3      LYS  54  33.956  20.334 -17.019
  451    H    THR  55           H        THR  55  26.970  18.335 -12.645
  452    HA   THR  55           HA       THR  55  28.066  15.730 -13.075
  453    HB   THR  55           HB       THR  55  27.050  15.655 -10.574
  454    HG1  THR  55           HG1      THR  55  25.911  17.482 -10.426
  455   HG21  THR  55          HG21      THR  55  29.085  16.821  -9.803
  456   HG22  THR  55          HG22      THR  55  29.450  15.726 -11.145
  457   HG23  THR  55          HG23      THR  55  29.345  17.476 -11.437
  458    H    SER  56           H        SER  56  25.176  16.710 -14.276
  459    HA   SER  56           HA       SER  56  23.153  15.870 -14.677
  460    HB2  SER  56           HB2      SER  56  24.388  13.127 -14.218
  461    HB3  SER  56           HB3      SER  56  22.907  13.502 -15.111
  462    HG   SER  56           HG       SER  56  24.733  13.228 -16.484
  463    H    THR  57           H        THR  57  23.341  16.996 -12.314
  464    HA   THR  57           HA       THR  57  21.618  15.372 -10.522
  465    HB   THR  57           HB       THR  57  22.817  16.628  -8.641
  466    HG1  THR  57           HG1      THR  57  24.086  18.105  -9.465
  467   HG21  THR  57          HG21      THR  57  23.226  14.235  -9.097
  468   HG22  THR  57          HG22      THR  57  24.488  14.672 -10.265
  469   HG23  THR  57          HG23      THR  57  24.692  15.070  -8.547
  470    H    ILE  58           H        ILE  58  20.851  17.260  -8.752
  471    HA   ILE  58           HA       ILE  58  18.891  18.632 -10.399
  472    HB   ILE  58           HB       ILE  58  19.285  18.137  -7.463
  473   HG12  ILE  58          HG12      ILE  58  17.013  17.327  -7.569
  474   HG13  ILE  58          HG13      ILE  58  16.761  18.030  -9.164
  475   HG21  ILE  58          HG21      ILE  58  18.785  20.507  -7.348
  476   HG22  ILE  58          HG22      ILE  58  17.471  20.344  -8.531
  477   HG23  ILE  58          HG23      ILE  58  17.322  19.613  -6.919
  478   HD11  ILE  58          HD11      ILE  58  17.007  15.569  -9.209
  479   HD12  ILE  58          HD12      ILE  58  18.217  16.396 -10.199
  480   HD13  ILE  58          HD13      ILE  58  18.669  15.733  -8.603
  481    H    GLU  59           H        GLU  59  18.702  20.660 -10.796
  482    HA   GLU  59           HA       GLU  59  20.664  22.691  -9.902
  483    HB2  GLU  59           HB2      GLU  59  21.274  21.841 -12.142
  484    HB3  GLU  59           HB3      GLU  59  19.626  22.103 -12.719
  485    HG2  GLU  59           HG2      GLU  59  19.865  24.502 -12.550
  486    HG3  GLU  59           HG3      GLU  59  21.390  24.338 -11.664
  487    H    GLU  60           H        GLU  60  19.568  24.694  -9.530
  488    HA   GLU  60           HA       GLU  60  16.612  24.359  -9.295
  489    HB2  GLU  60           HB2      GLU  60  18.715  25.694  -7.563
  490    HB3  GLU  60           HB3      GLU  60  16.987  26.012  -7.377
  491    HG2  GLU  60           HG2      GLU  60  16.523  23.640  -7.059
  492    HG3  GLU  60           HG3      GLU  60  18.225  23.236  -7.267
  493    H    LYS  61           H        LYS  61  15.757  25.258 -11.033
  494    HA   LYS  61           HA       LYS  61  16.562  28.030 -11.849
  495    HB2  LYS  61           HB2      LYS  61  14.747  25.905 -13.059
  496    HB3  LYS  61           HB3      LYS  61  14.806  27.568 -13.656
  497    HG2  LYS  61           HG2      LYS  61  17.113  27.335 -14.320
  498    HG3  LYS  61           HG3      LYS  61  17.278  25.801 -13.464
  499    HD2  LYS  61           HD2      LYS  61  17.094  25.342 -15.829
  500    HD3  LYS  61           HD3      LYS  61  15.696  24.708 -14.971
  501    HE2  LYS  61           HE2      LYS  61  15.008  25.659 -17.082
  502    HE3  LYS  61           HE3      LYS  61  14.302  26.584 -15.757
  503    HZ1  LYS  61           HZ1      LYS  61  16.776  27.471 -17.118
  504    HZ2  LYS  61           HZ2      LYS  61  15.290  27.880 -17.653
  505    HZ3  LYS  61           HZ3      LYS  61  15.748  28.368 -16.174
  506    H    THR  62           H        THR  62  15.126  29.727 -11.401
  507    HA   THR  62           HA       THR  62  12.799  29.055  -9.644
  508    HB   THR  62           HB       THR  62  14.110  31.765 -10.092
  509    HG1  THR  62           HG1      THR  62  15.637  30.496  -9.128
  510   HG21  THR  62          HG21      THR  62  12.304  30.667  -7.888
  511   HG22  THR  62          HG22      THR  62  13.022  32.297  -7.945
  512   HG23  THR  62          HG23      THR  62  11.826  31.814  -9.160
  513    H    VAL  63           H        VAL  63  10.755  29.200 -10.535
  514    HA   VAL  63           HA       VAL  63  10.499  30.584 -13.140
  515    HB   VAL  63           HB       VAL  63   9.532  28.665 -14.177
  516   HG11  VAL  63          HG11      VAL  63  12.075  27.611 -12.862
  517   HG12  VAL  63          HG12      VAL  63  11.386  27.161 -14.430
  518   HG13  VAL  63          HG13      VAL  63  12.064  28.773 -14.198
  519   HG21  VAL  63          HG21      VAL  63   9.417  26.434 -13.162
  520   HG22  VAL  63          HG22      VAL  63  10.007  27.073 -11.614
  521   HG23  VAL  63          HG23      VAL  63   8.423  27.567 -12.249
  522    H    GLU  64           H        GLU  64   8.364  30.962 -13.768
  523    HA   GLU  64           HA       GLU  64   6.269  30.856 -11.629
  524    HB2  GLU  64           HB2      GLU  64   6.756  33.137 -12.497
  525    HB3  GLU  64           HB3      GLU  64   6.451  32.583 -14.146
  526    HG2  GLU  64           HG2      GLU  64   4.109  32.093 -13.587
  527    HG3  GLU  64           HG3      GLU  64   4.410  32.435 -11.881
  528    H    VAL  65           H        VAL  65   4.773  29.248 -11.986
  529    HA   VAL  65           HA       VAL  65   4.798  27.831 -14.571
  530    HB   VAL  65           HB       VAL  65   3.686  26.105 -13.675
  531   HG11  VAL  65          HG11      VAL  65   4.748  25.394 -11.635
  532   HG12  VAL  65          HG12      VAL  65   5.916  26.370 -12.540
  533   HG13  VAL  65          HG13      VAL  65   5.068  27.067 -11.144
  534   HG21  VAL  65          HG21      VAL  65   1.682  27.115 -12.812
  535   HG22  VAL  65          HG22      VAL  65   2.343  25.941 -11.688
  536   HG23  VAL  65          HG23      VAL  65   2.568  27.669 -11.365
  537    H    LEU  66           H        LEU  66   3.255  28.119 -16.096
  538    HA   LEU  66           HA       LEU  66   1.275  30.271 -15.599
  539    HB2  LEU  66           HB2      LEU  66   1.971  28.773 -18.159
  540    HB3  LEU  66           HB3      LEU  66   0.878  30.132 -18.011
  541    HG   LEU  66           HG       LEU  66   2.805  31.052 -18.893
  542   HD11  LEU  66          HD11      LEU  66   3.142  31.614 -15.913
  543   HD12  LEU  66          HD12      LEU  66   3.647  32.639 -17.267
  544   HD13  LEU  66          HD13      LEU  66   1.922  32.374 -16.965
  545   HD21  LEU  66          HD21      LEU  66   4.592  29.818 -16.771
  546   HD22  LEU  66          HD22      LEU  66   4.331  29.124 -18.390
  547   HD23  LEU  66          HD23      LEU  66   5.058  30.728 -18.207
  548    H    GLY  67           H        GLY  67   1.375  26.743 -15.915
  549    HA2  GLY  67           HA2      GLY  67  -0.986  26.111 -14.814
  550    HA3  GLY  67           HA3      GLY  67  -1.435  26.427 -16.505
  551    H    MET  68           H        MET  68  -1.882  23.989 -15.830
  552    HA   MET  68           HA       MET  68   0.281  22.091 -16.193
  553    HB2  MET  68           HB2      MET  68  -2.720  21.870 -16.696
  554    HB3  MET  68           HB3      MET  68  -1.585  20.529 -16.847
  555    HG2  MET  68           HG2      MET  68  -2.025  22.094 -14.280
  556    HG3  MET  68           HG3      MET  68  -2.859  20.601 -14.683
  557    HE1  MET  68           HE1      MET  68  -0.216  17.828 -14.363
  558    HE2  MET  68           HE2      MET  68  -1.929  18.251 -14.586
  559    HE3  MET  68           HE3      MET  68  -0.745  18.590 -15.876
  560    H    ALA  69           H        ALA  69   0.855  20.984 -18.073
  561    HA   ALA  69           HA       ALA  69   0.865  22.496 -20.538
  562    HB1  ALA  69           HB1      ALA  69   2.096  20.558 -21.390
  563    HB2  ALA  69           HB2      ALA  69   2.678  20.930 -19.766
  564    HB3  ALA  69           HB3      ALA  69   1.545  19.576 -20.026
  565    HA   PRO  70           HA       PRO  70  -2.774  20.949 -22.652
  566    HB2  PRO  70           HB2      PRO  70  -0.912  19.689 -24.677
  567    HB3  PRO  70           HB3      PRO  70  -2.396  20.652 -24.964
  568    HG2  PRO  70           HG2      PRO  70   0.035  21.809 -25.231
  569    HG3  PRO  70           HG3      PRO  70  -1.274  22.685 -24.370
  570    HD2  PRO  70           HD2      PRO  70   1.026  21.113 -23.204
  571    HD3  PRO  70           HD3      PRO  70   0.385  22.708 -22.702
  572    H    ASP  71           H        ASP  71  -4.007  19.017 -23.017
  573    HA   ASP  71           HA       ASP  71  -3.415  16.808 -21.393
  574    HB2  ASP  71           HB2      ASP  71  -5.370  15.844 -22.154
  575    HB3  ASP  71           HB3      ASP  71  -5.687  17.563 -22.337
  576    H    ASP  72           H        ASP  72  -2.649  17.382 -24.822
  577    HA   ASP  72           HA       ASP  72  -1.916  14.706 -25.469
  578    HB2  ASP  72           HB2      ASP  72  -2.399  16.450 -27.147
  579    HB3  ASP  72           HB3      ASP  72  -0.957  17.341 -26.650
  580    H    GLU  73           H        GLU  73  -0.199  17.220 -23.714
  581    HA   GLU  73           HA       GLU  73   2.403  15.800 -23.844
  582    HB2  GLU  73           HB2      GLU  73   1.492  18.174 -22.151
  583    HB3  GLU  73           HB3      GLU  73   3.119  17.521 -22.208
  584    HG2  GLU  73           HG2      GLU  73   1.621  18.883 -24.483
  585    HG3  GLU  73           HG3      GLU  73   2.951  19.551 -23.547
  586    H    CYS  74           H        CYS  74  -0.428  16.302 -21.724
  587    HA   CYS  74           HA       CYS  74   0.861  15.059 -19.459
  588    HB2  CYS  74           HB2      CYS  74  -1.996  16.012 -19.823
  589    HB3  CYS  74           HB3      CYS  74  -1.267  15.454 -18.304
  590    HG   CYS  74           HG       CYS  74  -0.522  18.018 -20.228
  591    H    LEU  75           H        LEU  75  -0.009  13.622 -22.088
  592    HA   LEU  75           HA       LEU  75  -1.848  11.556 -21.333
  593    HB2  LEU  75           HB2      LEU  75  -0.941  12.713 -23.668
  594    HB3  LEU  75           HB3      LEU  75   0.005  11.248 -23.677
  595    HG   LEU  75           HG       LEU  75  -2.010  11.143 -25.001
  596   HD11  LEU  75          HD11      LEU  75  -2.364   9.271 -22.622
  597   HD12  LEU  75          HD12      LEU  75  -2.914   9.010 -24.286
  598   HD13  LEU  75          HD13      LEU  75  -1.180   9.034 -23.927
  599   HD21  LEU  75          HD21      LEU  75  -3.425  12.676 -23.640
  600   HD22  LEU  75          HD22      LEU  75  -4.251  11.201 -24.166
  601   HD23  LEU  75          HD23      LEU  75  -3.704  11.348 -22.491
  602    H    LYS  76           H        LYS  76   1.605  11.977 -21.007
  603    HA   LYS  76           HA       LYS  76   1.932   9.073 -20.374
  604    HB2  LYS  76           HB2      LYS  76   3.920  10.974 -21.667
  605    HB3  LYS  76           HB3      LYS  76   4.256   9.308 -21.216
  606    HG2  LYS  76           HG2      LYS  76   2.220  10.185 -23.310
  607    HG3  LYS  76           HG3      LYS  76   3.844   9.577 -23.623
  608    HD2  LYS  76           HD2      LYS  76   3.219   7.391 -22.555
  609    HD3  LYS  76           HD3      LYS  76   1.586   8.009 -22.300
  610    HE2  LYS  76           HE2      LYS  76   1.505   6.652 -24.248
  611    HE3  LYS  76           HE3      LYS  76   1.320   8.331 -24.759
  612    HZ1  LYS  76           HZ1      LYS  76   2.845   7.106 -26.184
  613    HZ2  LYS  76           HZ2      LYS  76   3.659   8.301 -25.439
  614    HZ3  LYS  76           HZ3      LYS  76   3.828   6.752 -24.937
  615    H    ASP  77           H        ASP  77   2.578  12.380 -19.276
  616    HA   ASP  77           HA       ASP  77   3.268  11.437 -16.640
  617    HB2  ASP  77           HB2      ASP  77   5.474  11.255 -17.877
  618    HB3  ASP  77           HB3      ASP  77   5.360  12.971 -18.245
  619    H    MET  78           H        MET  78   3.442  13.478 -15.203
  620    HA   MET  78           HA       MET  78   1.468  15.454 -16.131
  621    HB2  MET  78           HB2      MET  78   2.887  14.829 -13.515
  622    HB3  MET  78           HB3      MET  78   1.935  16.297 -13.723
  623    HG2  MET  78           HG2      MET  78   0.733  14.459 -12.626
  624    HG3  MET  78           HG3      MET  78  -0.085  15.126 -14.031
  625    HE1  MET  78           HE1      MET  78  -1.424  13.634 -15.533
  626    HE2  MET  78           HE2      MET  78   0.050  13.754 -16.522
  627    HE3  MET  78           HE3      MET  78  -0.743  12.186 -16.294
  628    H    TYR  79           H        TYR  79   1.965  17.492 -16.877
  629    HA   TYR  79           HA       TYR  79   4.701  18.570 -16.465
  630    HB2  TYR  79           HB2      TYR  79   3.185  18.402 -19.099
  631    HB3  TYR  79           HB3      TYR  79   4.657  19.312 -18.853
  632    HD1  TYR  79           HD1      TYR  79   6.852  18.126 -18.545
  633    HD2  TYR  79           HD2      TYR  79   3.207  16.066 -19.569
  634    HE1  TYR  79           HE1      TYR  79   8.175  16.212 -19.406
  635    HE2  TYR  79           HE2      TYR  79   4.505  14.156 -20.416
  636    HH   TYR  79           HH       TYR  79   6.622  13.258 -20.763
  637    H    VAL  80           H        VAL  80   4.853  20.811 -16.830
  638    HA   VAL  80           HA       VAL  80   2.353  22.408 -16.763
  639    HB   VAL  80           HB       VAL  80   3.605  23.798 -14.968
  640   HG11  VAL  80          HG11      VAL  80   1.526  22.639 -14.498
  641   HG12  VAL  80          HG12      VAL  80   2.395  21.112 -14.212
  642   HG13  VAL  80          HG13      VAL  80   2.619  22.506 -13.125
  643   HG21  VAL  80          HG21      VAL  80   5.051  22.603 -13.420
  644   HG22  VAL  80          HG22      VAL  80   4.951  21.113 -14.384
  645   HG23  VAL  80          HG23      VAL  80   5.770  22.546 -15.037
  646    H    GLU  81           H        GLU  81   2.580  24.425 -17.649
  647    HA   GLU  81           HA       GLU  81   4.963  24.897 -19.351
  648    HB2  GLU  81           HB2      GLU  81   2.340  26.419 -18.991
  649    HB3  GLU  81           HB3      GLU  81   3.679  26.947 -20.025
  650    HG2  GLU  81           HG2      GLU  81   3.502  24.792 -21.298
  651    HG3  GLU  81           HG3      GLU  81   2.087  24.368 -20.334
  652    H    VAL  82           H        VAL  82   6.521  26.437 -18.743
  653    HA   VAL  82           HA       VAL  82   6.057  27.996 -16.280
  654    HB   VAL  82           HB       VAL  82   8.038  27.237 -15.196
  655   HG11  VAL  82          HG11      VAL  82   7.466  25.012 -14.510
  656   HG12  VAL  82          HG12      VAL  82   5.958  25.877 -14.837
  657   HG13  VAL  82          HG13      VAL  82   6.575  24.705 -16.011
  658   HG21  VAL  82          HG21      VAL  82   9.526  26.713 -17.068
  659   HG22  VAL  82          HG22      VAL  82   9.418  25.341 -15.970
  660   HG23  VAL  82          HG23      VAL  82   8.523  25.309 -17.507
  661    H    ALA  83           H        ALA  83   7.437  29.821 -16.076
  662    HA   ALA  83           HA       ALA  83   9.142  30.448 -18.452
  663    HB1  ALA  83           HB1      ALA  83   8.436  32.817 -18.152
  664    HB2  ALA  83           HB2      ALA  83   7.103  31.770 -18.666
  665    HB3  ALA  83           HB3      ALA  83   7.222  32.294 -16.965
  666    H    ASP  84           H        ASP  84  11.157  31.022 -17.853
  667    HA   ASP  84           HA       ASP  84  11.969  30.667 -15.104
  668    HB2  ASP  84           HB2      ASP  84  13.312  30.126 -17.189
  669    HB3  ASP  84           HB3      ASP  84  13.589  31.858 -17.382
  670    H    ILE  85           H        ILE  85  12.450  32.191 -13.563
  671    HA   ILE  85           HA       ILE  85  11.725  35.032 -14.144
  672    HB   ILE  85           HB       ILE  85  11.962  33.671 -11.451
  673   HG12  ILE  85          HG12      ILE  85   9.324  34.327 -12.834
  674   HG13  ILE  85          HG13      ILE  85  10.030  32.719 -12.822
  675   HG21  ILE  85          HG21      ILE  85  12.234  36.173 -11.493
  676   HG22  ILE  85          HG22      ILE  85  10.626  36.299 -12.241
  677   HG23  ILE  85          HG23      ILE  85  10.817  35.672 -10.592
  678   HD11  ILE  85          HD11      ILE  85  10.029  32.713 -10.332
  679   HD12  ILE  85          HD12      ILE  85   9.167  34.272 -10.348
  680   HD13  ILE  85          HD13      ILE  85   8.411  32.841 -11.027
  681    H    GLY  86           H        GLY  86  14.146  32.897 -12.521
  682    HA2  GLY  86           HA2      GLY  86  15.713  34.973 -11.399
  683    HA3  GLY  86           HA3      GLY  86  16.211  33.292 -11.651
  684    H    GLY  87           H        GLY  87  15.803  33.464 -14.584
  685    HA2  GLY  87           HA2      GLY  87  17.717  35.470 -15.591
  686    HA3  GLY  87           HA3      GLY  87  18.102  33.736 -15.796
  687    H    LYS  88           H        LYS  88  15.132  35.732 -15.924
  688    HA   LYS  88           HA       LYS  88  13.762  34.242 -17.828
  689    HB2  LYS  88           HB2      LYS  88  12.280  36.126 -18.070
  690    HB3  LYS  88           HB3      LYS  88  12.756  35.967 -16.376
  691    HG2  LYS  88           HG2      LYS  88  14.460  37.803 -16.730
  692    HG3  LYS  88           HG3      LYS  88  13.799  38.029 -18.363
  693    HD2  LYS  88           HD2      LYS  88  11.561  38.494 -17.375
  694    HD3  LYS  88           HD3      LYS  88  12.254  38.295 -15.748
  695    HE2  LYS  88           HE2      LYS  88  13.837  40.158 -16.197
  696    HE3  LYS  88           HE3      LYS  88  13.153  40.356 -17.815
  697    HZ1  LYS  88           HZ1      LYS  88  11.672  40.758 -15.280
  698    HZ2  LYS  88           HZ2      LYS  88  12.215  41.939 -16.260
  699    HZ3  LYS  88           HZ3      LYS  88  11.037  40.941 -16.777
  700    H    ASP  89           H        ASP  89  13.280  34.535 -19.999
  701    HA   ASP  89           HA       ASP  89  15.027  36.300 -21.628
  702    HB2  ASP  89           HB2      ASP  89  15.854  33.929 -21.657
  703    HB3  ASP  89           HB3      ASP  89  14.296  33.431 -22.319
  704    H    ASP  90           H        ASP  90  12.253  36.448 -20.516
  705    HA   ASP  90           HA       ASP  90  10.095  36.806 -21.027
  706    HB2  ASP  90           HB2      ASP  90  11.222  38.769 -22.003
  707    HB3  ASP  90           HB3      ASP  90  11.255  37.941 -23.566
  708    H    ASP  91           H        ASP  91  10.957  34.275 -21.547
  709    HA   ASP  91           HA       ASP  91   9.185  33.304 -23.733
  710    HB2  ASP  91           HB2      ASP  91  11.551  33.472 -24.530
  711    HB3  ASP  91           HB3      ASP  91  12.037  32.372 -23.235
  712    H    VAL  92           H        VAL  92   8.846  30.937 -23.570
  713    HA   VAL  92           HA       VAL  92   8.518  30.062 -20.749
  714    HB   VAL  92           HB       VAL  92   6.553  31.222 -21.603
  715   HG11  VAL  92          HG11      VAL  92   6.349  29.088 -23.763
  716   HG12  VAL  92          HG12      VAL  92   5.144  30.339 -23.407
  717   HG13  VAL  92          HG13      VAL  92   6.729  30.804 -24.025
  718   HG21  VAL  92          HG21      VAL  92   4.820  29.618 -21.095
  719   HG22  VAL  92          HG22      VAL  92   5.939  28.264 -21.328
  720   HG23  VAL  92          HG23      VAL  92   6.187  29.421 -19.999
  721    H    TYR  93           H        TYR  93   8.192  27.866 -20.481
  722    HA   TYR  93           HA       TYR  93   9.300  25.987 -22.492
  723    HB2  TYR  93           HB2      TYR  93  10.180  26.202 -19.584
  724    HB3  TYR  93           HB3      TYR  93  10.917  25.240 -20.852
  725    HD1  TYR  93           HD2      TYR  93  12.282  26.367 -22.658
  726    HD2  TYR  93           HD1      TYR  93  10.729  28.531 -19.264
  727    HE1  TYR  93           HE2      TYR  93  13.833  28.233 -23.147
  728    HE2  TYR  93           HE1      TYR  93  12.269  30.418 -19.760
  729    HH   TYR  93           HH       TYR  93  14.569  30.353 -22.513
  730    H    THR  94           H        THR  94   9.325  23.748 -21.147
  731    HA   THR  94           HA       THR  94   6.806  23.436 -19.586
  732    HB   THR  94           HB       THR  94   7.687  21.441 -21.695
  733    HG1  THR  94           HG1      THR  94   6.223  22.323 -23.058
  734   HG21  THR  94          HG21      THR  94   5.372  20.601 -21.437
  735   HG22  THR  94          HG22      THR  94   6.255  20.550 -19.906
  736   HG23  THR  94          HG23      THR  94   5.059  21.835 -20.193
  737    H    ALA  95           H        ALA  95   7.057  22.189 -17.823
  738    HA   ALA  95           HA       ALA  95   9.641  20.760 -17.373
  739    HB1  ALA  95           HB1      ALA  95   9.518  21.576 -15.028
  740    HB2  ALA  95           HB2      ALA  95   9.648  22.926 -16.175
  741    HB3  ALA  95           HB3      ALA  95   8.085  22.536 -15.429
  742    H    LYS  96           H        LYS  96   9.406  18.942 -15.903
  743    HA   LYS  96           HA       LYS  96   6.806  17.587 -15.983
  744    HB2  LYS  96           HB2      LYS  96   9.483  16.988 -14.634
  745    HB3  LYS  96           HB3      LYS  96   8.055  15.956 -14.501
  746    HG2  LYS  96           HG2      LYS  96   8.030  15.448 -16.822
  747    HG3  LYS  96           HG3      LYS  96   9.254  16.664 -17.212
  748    HD2  LYS  96           HD2      LYS  96   9.854  14.406 -15.280
  749    HD3  LYS  96           HD3      LYS  96   9.982  14.163 -17.031
  750    HE2  LYS  96           HE2      LYS  96  11.735  15.679 -17.294
  751    HE3  LYS  96           HE3      LYS  96  11.355  16.555 -15.805
  752    HZ1  LYS  96           HZ1      LYS  96  12.235  14.866 -14.503
  753    HZ2  LYS  96           HZ2      LYS  96  12.404  13.798 -15.763
  754    HZ3  LYS  96           HZ3      LYS  96  13.352  15.127 -15.669
  755    H    LEU  97           H        LEU  97   5.345  17.653 -14.311
  756    HA   LEU  97           HA       LEU  97   5.626  19.539 -12.146
  757    HB2  LEU  97           HB2      LEU  97   3.433  18.621 -13.039
  758    HB3  LEU  97           HB3      LEU  97   3.836  17.079 -12.273
  759    HG   LEU  97           HG       LEU  97   3.880  18.240 -10.034
  760   HD11  LEU  97          HD11      LEU  97   2.768  20.514  -9.922
  761   HD12  LEU  97          HD12      LEU  97   4.370  20.553 -10.655
  762   HD13  LEU  97          HD13      LEU  97   2.917  20.627 -11.679
  763   HD21  LEU  97          HD21      LEU  97   1.307  18.574 -11.622
  764   HD22  LEU  97          HD22      LEU  97   1.875  17.078 -10.838
  765   HD23  LEU  97          HD23      LEU  97   1.449  18.481  -9.850
  766    H    SER  98           H        SER  98   6.546  16.201 -12.694
  767    HA   SER  98           HA       SER  98   7.111  15.263 -10.119
  768    HB2  SER  98           HB2      SER  98   8.635  14.619 -12.667
  769    HB3  SER  98           HB3      SER  98   8.254  13.535 -11.322
  770    HG   SER  98           HG       SER  98   6.875  13.345 -13.254
  771    H    ASP  99           H        ASP  99   8.733  17.825 -11.760
  772    HA   ASP  99           HA       ASP  99  11.073  17.608  -9.934
  773    HB2  ASP  99           HB2      ASP  99  11.097  18.112 -12.931
  774    HB3  ASP  99           HB3      ASP  99  12.432  18.576 -11.885
  775    H    ILE 100           H        ILE 100   8.394  19.158 -10.099
  776    HA   ILE 100           HA       ILE 100   9.561  21.888  -9.830
  777    HB   ILE 100           HB       ILE 100   6.932  20.857 -10.816
  778   HG12  ILE 100          HG12      ILE 100   8.928  21.847 -12.121
  779   HG13  ILE 100          HG13      ILE 100   7.287  22.325 -12.561
  780   HG21  ILE 100          HG21      ILE 100   5.765  23.004 -10.445
  781   HG22  ILE 100          HG22      ILE 100   6.038  22.096  -8.958
  782   HG23  ILE 100          HG23      ILE 100   7.051  23.508  -9.327
  783   HD11  ILE 100          HD11      ILE 100   9.164  23.998 -10.853
  784   HD12  ILE 100          HD12      ILE 100   8.908  24.183 -12.601
  785   HD13  ILE 100          HD13      ILE 100   7.575  24.492 -11.485
  786    H    GLU 101           H        GLU 101   9.272  22.930  -8.010
  787    HA   GLU 101           HA       GLU 101   7.862  21.634  -5.726
  788    HB2  GLU 101           HB2      GLU 101  10.326  21.258  -5.603
  789    HB3  GLU 101           HB3      GLU 101  10.588  23.007  -5.632
  790    HG2  GLU 101           HG2      GLU 101   9.260  23.222  -3.531
  791    HG3  GLU 101           HG3      GLU 101   8.994  21.477  -3.524
  792    H    ALA 102           H        ALA 102   6.117  22.990  -5.528
  793    HA   ALA 102           HA       ALA 102   6.139  25.684  -6.533
  794    HB1  ALA 102           HB1      ALA 102   4.085  24.349  -6.470
  795    HB2  ALA 102           HB2      ALA 102   4.157  24.286  -4.691
  796    HB3  ALA 102           HB3      ALA 102   3.898  25.830  -5.541
  797    H    ILE 103           H        ILE 103   6.026  27.617  -5.437
  798    HA   ILE 103           HA       ILE 103   7.124  27.660  -2.655
  799    HB   ILE 103           HB       ILE 103   7.550  29.522  -5.017
  800   HG12  ILE 103          HG12      ILE 103   9.638  27.898  -3.487
  801   HG13  ILE 103          HG13      ILE 103   8.883  27.317  -4.958
  802   HG21  ILE 103          HG21      ILE 103   7.425  30.819  -2.904
  803   HG22  ILE 103          HG22      ILE 103   8.654  29.757  -2.183
  804   HG23  ILE 103          HG23      ILE 103   9.057  30.819  -3.550
  805   HD11  ILE 103          HD11      ILE 103   9.715  29.351  -6.177
  806   HD12  ILE 103          HD12      ILE 103  10.641  29.784  -4.719
  807   HD13  ILE 103          HD13      ILE 103  10.981  28.275  -5.568
  808    H    ASP 104           H        ASP 104   5.965  28.716  -1.196
  809    HA   ASP 104           HA       ASP 104   4.223  29.677  -0.163
  810    HB2  ASP 104           HB2      ASP 104   5.767  31.504  -0.731
  811    HB3  ASP 104           HB3      ASP 104   4.837  31.841  -2.191
  812    H    VAL 105           H        VAL 105   3.182  27.809  -1.906
  813    HA   VAL 105           HA       VAL 105   0.967  29.119  -3.351
  814    HB   VAL 105           HB       VAL 105   2.623  27.435  -4.359
  815   HG11  VAL 105          HG11      VAL 105   0.866  25.420  -2.948
  816   HG12  VAL 105          HG12      VAL 105   1.943  25.062  -4.291
  817   HG13  VAL 105          HG13      VAL 105   2.610  25.642  -2.755
  818   HG21  VAL 105          HG21      VAL 105  -0.303  26.977  -4.876
  819   HG22  VAL 105          HG22      VAL 105   0.645  28.363  -5.448
  820   HG23  VAL 105          HG23      VAL 105   1.091  26.741  -5.964
  821    H    ASP 106           H        ASP 106  -1.182  27.719  -3.314
  822    HA   ASP 106           HA       ASP 106  -2.166  27.835  -0.619
  823    HB2  ASP 106           HB2      ASP 106  -3.544  28.172  -2.746
  824    HB3  ASP 106           HB3      ASP 106  -3.457  26.403  -2.936
  825    H    ASP 107           H        ASP 107  -3.318  26.014   0.327
  826    HA   ASP 107           HA       ASP 107  -1.436  23.914   1.025
  827    HB2  ASP 107           HB2      ASP 107  -2.981  24.829   2.684
  828    HB3  ASP 107           HB3      ASP 107  -4.370  24.341   1.709
  829    H    ASP 108           H        ASP 108  -4.438  24.084  -0.995
  830    HA   ASP 108           HA       ASP 108  -4.511  21.221  -1.312
  831    HB2  ASP 108           HB2      ASP 108  -6.396  23.025  -1.475
  832    HB3  ASP 108           HB3      ASP 108  -5.863  23.215  -3.146
  833    H    THR 109           H        THR 109  -2.890  23.849  -2.980
  834    HA   THR 109           HA       THR 109  -2.249  22.364  -5.429
  835    HB   THR 109           HB       THR 109  -0.924  24.874  -4.250
  836    HG1  THR 109           HG1      THR 109  -3.236  25.036  -4.649
  837   HG21  THR 109          HG21      THR 109  -0.470  25.362  -6.659
  838   HG22  THR 109          HG22      THR 109   0.427  23.955  -6.059
  839   HG23  THR 109          HG23      THR 109  -1.022  23.765  -7.077
  840    H    GLN 110           H        GLN 110  -0.599  23.226  -2.318
  841    HA   GLN 110           HA       GLN 110   1.801  21.853  -2.912
  842    HB2  GLN 110           HB2      GLN 110   1.133  23.556  -0.993
  843    HB3  GLN 110           HB3      GLN 110   0.739  22.101  -0.081
  844    HG2  GLN 110           HG2      GLN 110   3.421  22.839  -1.341
  845    HG3  GLN 110           HG3      GLN 110   3.027  22.910   0.370
  846   HE21  GLN 110          HE22      GLN 110   4.393  20.954  -2.076
  847   HE22  GLN 110          HE21      GLN 110   4.334  19.418  -1.248
  848    H    GLU 111           H        GLU 111  -1.208  20.738  -1.226
  849    HA   GLU 111           HA       GLU 111  -0.314  18.126  -0.659
  850    HB2  GLU 111           HB2      GLU 111  -3.052  19.342  -1.140
  851    HB3  GLU 111           HB3      GLU 111  -2.883  17.616  -0.853
  852    HG2  GLU 111           HG2      GLU 111  -1.813  19.757   1.023
  853    HG3  GLU 111           HG3      GLU 111  -3.383  18.967   1.199
  854    H    ALA 112           H        ALA 112  -1.921  19.339  -3.673
  855    HA   ALA 112           HA       ALA 112  -2.071  16.763  -4.884
  856    HB1  ALA 112           HB1      ALA 112  -2.312  18.055  -6.992
  857    HB2  ALA 112           HB2      ALA 112  -3.332  18.691  -5.684
  858    HB3  ALA 112           HB3      ALA 112  -1.832  19.533  -6.125
  859    H    ILE 113           H        ILE 113   0.523  19.247  -4.915
  860    HA   ILE 113           HA       ILE 113   2.232  17.869  -6.765
  861    HB   ILE 113           HB       ILE 113   2.664  19.989  -4.644
  862   HG12  ILE 113          HG12      ILE 113   2.899  20.224  -7.668
  863   HG13  ILE 113          HG13      ILE 113   1.339  20.362  -6.863
  864   HG21  ILE 113          HG21      ILE 113   4.802  18.846  -4.809
  865   HG22  ILE 113          HG22      ILE 113   4.742  18.893  -6.587
  866   HG23  ILE 113          HG23      ILE 113   4.928  20.387  -5.646
  867   HD11  ILE 113          HD11      ILE 113   2.182  22.206  -5.464
  868   HD12  ILE 113          HD12      ILE 113   3.723  22.148  -6.361
  869   HD13  ILE 113          HD13      ILE 113   2.214  22.568  -7.199
  870    H    ALA 114           H        ALA 114   2.142  17.944  -3.161
  871    HA   ALA 114           HA       ALA 114   4.308  16.202  -2.723
  872    HB1  ALA 114           HB1      ALA 114   3.381  15.963  -0.479
  873    HB2  ALA 114           HB2      ALA 114   3.226  17.646  -0.989
  874    HB3  ALA 114           HB3      ALA 114   1.804  16.581  -1.013
  875    H    ASP 115           H        ASP 115   0.791  15.537  -3.004
  876    HA   ASP 115           HA       ASP 115   0.782  12.768  -2.632
  877    HB2  ASP 115           HB2      ASP 115  -1.193  14.335  -2.863
  878    HB3  ASP 115           HB3      ASP 115  -0.971  14.278  -4.605
  879    H    TRP 116           H        TRP 116   1.353  14.623  -5.642
  880    HA   TRP 116           HA       TRP 116   1.589  12.310  -7.339
  881    HB2  TRP 116           HB2      TRP 116   1.052  14.493  -8.272
  882    HB3  TRP 116           HB3      TRP 116   2.559  15.177  -7.664
  883    HD1  TRP 116           HD1      TRP 116   4.421  15.303  -9.396
  884    HE1  TRP 116           HE1      TRP 116   5.141  14.007 -11.493
  885    HE3  TRP 116           HE3      TRP 116   0.668  11.818  -9.527
  886    HZ2  TRP 116           HZ2      TRP 116   4.290  11.650 -12.923
  887    HZ3  TRP 116           HZ3      TRP 116   0.639  10.074 -11.279
  888    HH2  TRP 116           HH2      TRP 116   2.458   9.960 -12.968
  889    H    LEU 117           H        LEU 117   3.978  14.296  -5.508
  890    HA   LEU 117           HA       LEU 117   6.268  12.947  -6.595
  891    HB2  LEU 117           HB2      LEU 117   5.859  14.578  -4.063
  892    HB3  LEU 117           HB3      LEU 117   7.425  13.943  -4.553
  893    HG   LEU 117           HG       LEU 117   5.770  15.810  -6.312
  894   HD11  LEU 117          HD11      LEU 117   8.082  16.479  -4.447
  895   HD12  LEU 117          HD12      LEU 117   7.281  17.597  -5.577
  896   HD13  LEU 117          HD13      LEU 117   6.378  16.930  -4.209
  897   HD21  LEU 117          HD21      LEU 117   7.918  16.190  -7.476
  898   HD22  LEU 117          HD22      LEU 117   8.684  14.943  -6.468
  899   HD23  LEU 117          HD23      LEU 117   7.388  14.515  -7.606
  900    H    TYR 118           H        TYR 118   4.214  12.269  -3.713
  901    HA   TYR 118           HA       TYR 118   5.895  10.134  -2.769
  902    HB2  TYR 118           HB2      TYR 118   2.895  10.495  -2.448
  903    HB3  TYR 118           HB3      TYR 118   3.901   9.408  -1.511
  904    HD1  TYR 118           HD2      TYR 118   6.261  11.079  -0.770
  905    HD2  TYR 118           HD1      TYR 118   2.095  12.126  -1.022
  906    HE1  TYR 118           HE2      TYR 118   6.634  12.894   0.853
  907    HE2  TYR 118           HE1      TYR 118   2.461  13.989   0.552
  908    HH   TYR 118           HH       TYR 118   5.677  14.673   2.021
  909    H    TRP 119           H        TRP 119   3.212  10.238  -5.172
  910    HA   TRP 119           HA       TRP 119   3.061   7.388  -5.556
  911    HB2  TRP 119           HB2      TRP 119   1.259   8.865  -6.191
  912    HB3  TRP 119           HB3      TRP 119   2.309   9.829  -7.207
  913    HD1  TRP 119           HD1      TRP 119   2.745   9.083  -9.614
  914    HE1  TRP 119           HE1      TRP 119   1.632   7.356 -11.183
  915    HE3  TRP 119           HE3      TRP 119   0.392   6.223  -6.090
  916    HZ2  TRP 119           HZ2      TRP 119  -0.022   5.015 -10.901
  917    HZ3  TRP 119           HZ3      TRP 119  -0.914   4.223  -6.758
  918    HH2  TRP 119           HH2      TRP 119  -1.125   3.607  -9.157
  919    H    LEU 120           H        LEU 120   4.901  10.068  -7.133
  920    HA   LEU 120           HA       LEU 120   6.238   8.617  -9.041
  921    HB2  LEU 120           HB2      LEU 120   6.270  11.197  -8.325
  922    HB3  LEU 120           HB3      LEU 120   7.687  10.723  -7.409
  923    HG   LEU 120           HG       LEU 120   8.431   9.641  -9.744
  924   HD11  LEU 120          HD11      LEU 120   7.608  10.990 -11.642
  925   HD12  LEU 120          HD12      LEU 120   6.233  10.213 -10.830
  926   HD13  LEU 120          HD13      LEU 120   6.561  11.925 -10.559
  927   HD21  LEU 120          HD21      LEU 120   9.675  11.390  -8.554
  928   HD22  LEU 120          HD22      LEU 120   9.585  11.768 -10.279
  929   HD23  LEU 120          HD23      LEU 120   8.537  12.628  -9.124
  930    H    ALA 121           H        ALA 121   7.218   9.227  -5.632
  931    HA   ALA 121           HA       ALA 121   9.632   7.738  -5.692
  932    HB1  ALA 121           HB1      ALA 121   7.854   8.514  -3.336
  933    HB2  ALA 121           HB2      ALA 121   9.555   8.015  -3.240
  934    HB3  ALA 121           HB3      ALA 121   9.125   9.528  -4.060
  935    H    ARG 122           H        ARG 122   6.290   6.673  -5.173
  936    HA   ARG 122           HA       ARG 122   6.896   4.318  -3.698
  937    HB2  ARG 122           HB2      ARG 122   4.684   5.425  -3.797
  938    HB3  ARG 122           HB3      ARG 122   4.512   4.957  -5.483
  939    HG2  ARG 122           HG2      ARG 122   3.147   3.596  -4.039
  940    HG3  ARG 122           HG3      ARG 122   4.323   2.597  -4.866
  941    HD2  ARG 122           HD2      ARG 122   4.694   3.592  -2.002
  942    HD3  ARG 122           HD3      ARG 122   3.855   2.085  -2.414
  943    HE   ARG 122           HE       ARG 122   6.295   1.950  -3.730
  944   HH11  ARG 122          HH11      ARG 122   5.153   1.944  -0.355
  945   HH12  ARG 122          HH12      ARG 122   6.603   1.232   0.268
  946   HH21  ARG 122          HH21      ARG 122   8.174   0.963  -2.909
  947   HH22  ARG 122          HH22      ARG 122   8.335   0.613  -1.230
  948    H    GLY 123           H        GLY 123   7.384   4.990  -7.083
  949    HA2  GLY 123           HA2      GLY 123   8.517   3.509  -8.560
  950    HA3  GLY 123           HA3      GLY 123   8.016   2.114  -7.594
  951    H    TYR 124           H        TYR 124   5.991   4.825  -8.662
  952    HA   TYR 124           HA       TYR 124   3.838   3.433  -9.707
  953    HB2  TYR 124           HB2      TYR 124   3.165   5.449 -10.635
  954    HB3  TYR 124           HB3      TYR 124   3.977   5.888  -9.152
  955    HD1  TYR 124           HD2      TYR 124   6.849   6.130  -9.881
  956    HD2  TYR 124           HD1      TYR 124   3.359   7.134 -12.195
  957    HE1  TYR 124           HE2      TYR 124   8.212   7.580 -11.293
  958    HE2  TYR 124           HE1      TYR 124   4.691   8.617 -13.597
  959    HH   TYR 124           HH       TYR 124   8.273   8.924 -13.222
  960    H    LYS 125           H        LYS 125   3.046   3.388 -11.917
  961    HA   LYS 125           HA       LYS 125   5.110   2.901 -14.006
  962    HB2  LYS 125           HB2      LYS 125   2.896   0.953 -13.208
  963    HB3  LYS 125           HB3      LYS 125   4.057   0.735 -14.528
  964    HG2  LYS 125           HG2      LYS 125   5.928   0.791 -12.883
  965    HG3  LYS 125           HG3      LYS 125   4.743   0.949 -11.572
  966    HD2  LYS 125           HD2      LYS 125   3.802  -1.253 -12.087
  967    HD3  LYS 125           HD3      LYS 125   4.937  -1.433 -13.435
  968    HE2  LYS 125           HE2      LYS 125   5.774  -2.643 -11.487
  969    HE3  LYS 125           HE3      LYS 125   6.855  -1.310 -11.895
  970    HZ1  LYS 125           HZ1      LYS 125   4.852  -1.253  -9.708
  971    HZ2  LYS 125           HZ2      LYS 125   6.450  -1.480  -9.514
  972    HZ3  LYS 125           HZ3      LYS 125   5.908  -0.039 -10.051
  973    H    PHE 126           H        PHE 126   2.350   4.587 -13.218
  974    HA   PHE 126           HA       PHE 126   1.834   5.302 -15.935
  975    HB2  PHE 126           HB2      PHE 126  -0.610   4.937 -15.810
  976    HB3  PHE 126           HB3      PHE 126   0.294   3.438 -15.890
  977    HD1  PHE 126           HD2      PHE 126  -1.633   5.675 -13.617
  978    HD2  PHE 126           HD1      PHE 126   0.156   1.787 -14.123
  979    HE1  PHE 126           HE2      PHE 126  -2.876   4.847 -11.639
  980    HE2  PHE 126           HE1      PHE 126  -1.062   0.968 -12.118
  981    HZ   PHE 126           HZ       PHE 126  -2.603   2.487 -10.889
  Start of MODEL   10
    1    H1   MET   1           H1       MET   1  10.029  -1.730   0.623
    2    H2   MET   1           H2       MET   1   9.063  -2.810  -0.156
    3    H3   MET   1           H3       MET   1   9.747  -1.568  -0.975
    4    HA   MET   1           HA       MET   1   7.470  -1.091  -0.650
    5    HB2  MET   1           HB2      MET   1   6.522  -0.773   1.585
    6    HB3  MET   1           HB3      MET   1   6.975  -2.439   1.263
    7    HG2  MET   1           HG2      MET   1   9.022  -2.148   2.654
    8    HG3  MET   1           HG3      MET   1   8.536  -0.484   2.999
    9    HE1  MET   1           HE1      MET   1   9.302  -2.608   5.231
   10    HE2  MET   1           HE2      MET   1   8.813  -0.932   5.575
   11    HE3  MET   1           HE3      MET   1   8.038  -2.280   6.436
   12    H    ALA   2           H        ALA   2   7.190   1.006  -1.149
   13    HA   ALA   2           HA       ALA   2   9.329   2.880  -0.748
   14    HB1  ALA   2           HB1      ALA   2   6.468   3.317  -1.717
   15    HB2  ALA   2           HB2      ALA   2   7.823   4.454  -1.905
   16    HB3  ALA   2           HB3      ALA   2   7.860   2.894  -2.739
   17    H    SER   3           H        SER   3   6.189   2.365   0.869
   18    HA   SER   3           HA       SER   3   5.141   3.320   2.602
   19    HB2  SER   3           HB2      SER   3   7.953   3.607   3.711
   20    HB3  SER   3           HB3      SER   3   6.447   3.472   4.636
   21    HG   SER   3           HG       SER   3   7.509   1.472   4.480
   22    H    VAL   4           H        VAL   4   5.860   5.256   0.466
   23    HA   VAL   4           HA       VAL   4   6.446   7.775   1.757
   24    HB   VAL   4           HB       VAL   4   5.773   8.623  -0.574
   25   HG11  VAL   4          HG11      VAL   4   8.100   8.297   0.157
   26   HG12  VAL   4          HG12      VAL   4   8.036   6.601  -0.366
   27   HG13  VAL   4          HG13      VAL   4   7.896   7.912  -1.554
   28   HG21  VAL   4          HG21      VAL   4   4.384   6.721  -1.305
   29   HG22  VAL   4          HG22      VAL   4   5.728   7.062  -2.409
   30   HG23  VAL   4          HG23      VAL   4   5.825   5.681  -1.320
   31    H    GLU   5           H        GLU   5   3.498   5.950   1.188
   32    HA   GLU   5           HA       GLU   5   1.682   8.178   1.308
   33    HB2  GLU   5           HB2      GLU   5  -0.040   6.475   1.646
   34    HB3  GLU   5           HB3      GLU   5   1.041   6.037   0.326
   35    HG2  GLU   5           HG2      GLU   5   2.271   4.500   1.926
   36    HG3  GLU   5           HG3      GLU   5   1.056   4.880   3.148
   37    H    ARG   6           H        ARG   6   0.538   9.015   3.110
   38    HA   ARG   6           HA       ARG   6   1.712   8.793   5.745
   39    HB2  ARG   6           HB2      ARG   6  -0.511   9.818   6.488
   40    HB3  ARG   6           HB3      ARG   6   0.523  10.791   5.458
   41    HG2  ARG   6           HG2      ARG   6  -0.893  10.697   3.641
   42    HG3  ARG   6           HG3      ARG   6  -1.671   9.193   4.112
   43    HD2  ARG   6           HD2      ARG   6  -2.063  11.739   5.711
   44    HD3  ARG   6           HD3      ARG   6  -3.010  11.378   4.275
   45    HE   ARG   6           HE       ARG   6  -3.942   9.426   5.290
   46   HH11  ARG   6          HH11      ARG   6  -2.202  11.461   7.643
   47   HH12  ARG   6          HH12      ARG   6  -3.058  10.819   8.994
   48   HH21  ARG   6          HH21      ARG   6  -5.050   8.641   6.994
   49   HH22  ARG   6          HH22      ARG   6  -4.737   9.154   8.625
   50    H    ASP   7           H        ASP   7  -1.066   7.308   4.122
   51    HA   ASP   7           HA       ASP   7  -1.228   4.919   5.619
   52    HB2  ASP   7           HB2      ASP   7  -2.125   6.531   7.365
   53    HB3  ASP   7           HB3      ASP   7  -3.311   7.085   6.187
   54    H    GLU   8           H        GLU   8  -3.477   3.941   4.861
   55    HA   GLU   8           HA       GLU   8  -3.556   4.024   2.046
   56    HB2  GLU   8           HB2      GLU   8  -5.322   2.410   2.215
   57    HB3  GLU   8           HB3      GLU   8  -4.114   2.083   3.455
   58    HG2  GLU   8           HG2      GLU   8  -5.634   3.341   5.099
   59    HG3  GLU   8           HG3      GLU   8  -6.863   3.340   3.837
   60    H    THR   9           H        THR   9  -4.741   6.483   3.964
   61    HA   THR   9           HA       THR   9  -7.248   7.172   2.771
   62    HB   THR   9           HB       THR   9  -5.276   9.293   3.534
   63    HG1  THR   9           HG1      THR   9  -6.239   7.428   5.430
   64   HG21  THR   9          HG21      THR   9  -8.114   8.719   4.470
   65   HG22  THR   9          HG22      THR   9  -7.151  10.166   4.846
   66   HG23  THR   9          HG23      THR   9  -7.649   9.844   3.174
   67    H    ARG  10           H        ARG  10  -3.812   7.729   1.787
   68    HA   ARG  10           HA       ARG  10  -4.567   9.466  -0.429
   69    HB2  ARG  10           HB2      ARG  10  -1.998   7.905   0.125
   70    HB3  ARG  10           HB3      ARG  10  -2.256   8.969  -1.265
   71    HG2  ARG  10           HG2      ARG  10  -2.872  10.813   0.408
   72    HG3  ARG  10           HG3      ARG  10  -2.227   9.760   1.672
   73    HD2  ARG  10           HD2      ARG  10  -0.033   9.716   0.510
   74    HD3  ARG  10           HD3      ARG  10  -0.670  10.729  -0.777
   75    HE   ARG  10           HE       ARG  10   0.325  11.576   1.773
   76   HH11  ARG  10          HH11      ARG  10  -1.985  12.545  -0.788
   77   HH12  ARG  10          HH12      ARG  10  -2.190  14.153  -0.106
   78   HH21  ARG  10          HH21      ARG  10   0.079  13.747   2.535
   79   HH22  ARG  10          HH22      ARG  10  -0.928  14.863   1.666
   80    H    GLU  11           H        GLU  11  -3.970   5.950  -0.080
   81    HA   GLU  11           HA       GLU  11  -4.159   5.381  -2.854
   82    HB2  GLU  11           HB2      GLU  11  -4.912   3.533  -0.553
   83    HB3  GLU  11           HB3      GLU  11  -4.437   3.071  -2.188
   84    HG2  GLU  11           HG2      GLU  11  -2.679   4.349  -0.052
   85    HG3  GLU  11           HG3      GLU  11  -2.590   2.701  -0.661
   86    H    HIS  12           H        HIS  12  -6.659   5.592  -0.281
   87    HA   HIS  12           HA       HIS  12  -8.864   4.835  -1.944
   88    HB2  HIS  12           HB2      HIS  12  -8.658   6.509   0.586
   89    HB3  HIS  12           HB3      HIS  12 -10.182   6.276  -0.265
   90    HD1  HIS  12           HD1      HIS  12  -7.492   4.039   1.412
   91    HD2  HIS  12           HD2      HIS  12 -11.528   4.103   0.216
   92    HE1  HIS  12           HE1      HIS  12  -8.540   1.872   2.279
   93    H    ARG  13           H        ARG  13  -7.446   8.135  -1.234
   94    HA   ARG  13           HA       ARG  13  -9.365   9.484  -2.876
   95    HB2  ARG  13           HB2      ARG  13  -6.534  10.237  -2.015
   96    HB3  ARG  13           HB3      ARG  13  -7.547  11.272  -3.030
   97    HG2  ARG  13           HG2      ARG  13  -9.343  11.178  -1.277
   98    HG3  ARG  13           HG3      ARG  13  -8.222  10.342  -0.197
   99    HD2  ARG  13           HD2      ARG  13  -7.586  13.032  -1.491
  100    HD3  ARG  13           HD3      ARG  13  -8.499  12.912   0.013
  101    HE   ARG  13           HE       ARG  13  -6.433  11.505   0.781
  102   HH11  ARG  13          HH11      ARG  13  -6.266  14.509  -1.177
  103   HH12  ARG  13          HH12      ARG  13  -4.829  15.061  -0.336
  104   HH21  ARG  13          HH21      ARG  13  -4.584  12.450   1.904
  105   HH22  ARG  13          HH22      ARG  13  -3.942  13.962   1.299
  106    H    ILE  14           H        ILE  14  -6.140   8.126  -3.710
  107    HA   ILE  14           HA       ILE  14  -6.073   8.907  -6.399
  108    HB   ILE  14           HB       ILE  14  -4.996   6.495  -4.920
  109   HG12  ILE  14          HG12      ILE  14  -3.486   8.814  -6.190
  110   HG13  ILE  14          HG13      ILE  14  -4.124   8.913  -4.558
  111   HG21  ILE  14          HG21      ILE  14  -4.393   7.211  -7.822
  112   HG22  ILE  14          HG22      ILE  14  -3.568   5.970  -6.851
  113   HG23  ILE  14          HG23      ILE  14  -5.259   5.761  -7.256
  114   HD11  ILE  14          HD11      ILE  14  -2.047   6.901  -5.513
  115   HD12  ILE  14          HD12      ILE  14  -1.788   8.295  -4.459
  116   HD13  ILE  14          HD13      ILE  14  -2.772   6.937  -3.892
  117    H    GLU  15           H        GLU  15  -7.394   5.839  -5.041
  118    HA   GLU  15           HA       GLU  15  -8.314   4.894  -7.535
  119    HB2  GLU  15           HB2      GLU  15  -7.789   3.463  -5.646
  120    HB3  GLU  15           HB3      GLU  15  -9.038   4.216  -4.645
  121    HG2  GLU  15           HG2      GLU  15 -10.803   3.301  -6.019
  122    HG3  GLU  15           HG3      GLU  15  -9.638   2.683  -7.201
  123    H    THR  16           H        THR  16 -10.060   6.783  -5.025
  124    HA   THR  16           HA       THR  16 -12.578   6.339  -6.473
  125    HB   THR  16           HB       THR  16 -13.651   7.259  -4.484
  126    HG1  THR  16           HG1      THR  16 -11.034   7.395  -3.399
  127   HG21  THR  16          HG21      THR  16 -13.114   5.448  -2.942
  128   HG22  THR  16          HG22      THR  16 -13.154   4.844  -4.606
  129   HG23  THR  16          HG23      THR  16 -11.595   5.110  -3.799
  130    H    GLU  17           H        GLU  17 -10.279   8.912  -6.442
  131    HA   GLU  17           HA       GLU  17 -12.252  10.461  -7.995
  132    HB2  GLU  17           HB2      GLU  17 -11.771  12.567  -6.831
  133    HB3  GLU  17           HB3      GLU  17 -12.627  11.378  -5.865
  134    HG2  GLU  17           HG2      GLU  17 -10.581  10.840  -4.625
  135    HG3  GLU  17           HG3      GLU  17  -9.652  11.972  -5.626
  136    H    ILE  18           H        ILE  18  -8.836   9.635  -7.623
  137    HA   ILE  18           HA       ILE  18  -8.165  11.754  -9.578
  138    HB   ILE  18           HB       ILE  18  -6.318   9.668  -8.394
  139   HG12  ILE  18          HG12      ILE  18  -7.065  12.476  -7.472
  140   HG13  ILE  18          HG13      ILE  18  -7.234  10.991  -6.561
  141   HG21  ILE  18          HG21      ILE  18  -5.726  12.326  -9.753
  142   HG22  ILE  18          HG22      ILE  18  -4.547  11.151  -9.138
  143   HG23  ILE  18          HG23      ILE  18  -5.545  10.733 -10.519
  144   HD11  ILE  18          HD11      ILE  18  -4.709  10.802  -6.528
  145   HD12  ILE  18          HD12      ILE  18  -4.657  12.448  -7.204
  146   HD13  ILE  18          HD13      ILE  18  -5.402  12.164  -5.626
  147    H    ILE  19           H        ILE  19  -8.116   8.125  -9.450
  148    HA   ILE  19           HA       ILE  19  -8.145   8.114 -12.440
  149    HB   ILE  19           HB       ILE  19  -6.956   5.989 -12.265
  150   HG12  ILE  19          HG12      ILE  19  -6.346   6.781  -9.391
  151   HG13  ILE  19          HG13      ILE  19  -7.647   5.639  -9.794
  152   HG21  ILE  19          HG21      ILE  19  -5.472   8.366 -11.067
  153   HG22  ILE  19          HG22      ILE  19  -4.777   7.018 -11.986
  154   HG23  ILE  19          HG23      ILE  19  -5.856   8.156 -12.790
  155   HD11  ILE  19          HD11      ILE  19  -4.705   5.356 -10.400
  156   HD12  ILE  19          HD12      ILE  19  -5.701   4.394  -9.267
  157   HD13  ILE  19          HD13      ILE  19  -5.979   4.274 -11.028
  158    H    VAL  20           H        VAL  20 -10.388   7.895 -10.205
  159    HA   VAL  20           HA       VAL  20 -11.577   5.413 -10.342
  160    HB   VAL  20           HB       VAL  20 -12.149   7.328  -8.910
  161   HG11  VAL  20          HG11      VAL  20 -13.800   8.427 -11.205
  162   HG12  VAL  20          HG12      VAL  20 -13.744   9.035  -9.545
  163   HG13  VAL  20          HG13      VAL  20 -12.306   9.150 -10.564
  164   HG21  VAL  20          HG21      VAL  20 -14.517   6.839  -8.652
  165   HG22  VAL  20          HG22      VAL  20 -14.579   6.129 -10.279
  166   HG23  VAL  20          HG23      VAL  20 -13.612   5.357  -9.000
  167    H    ASP  21           H        ASP  21 -11.687   7.951 -12.838
  168    HA   ASP  21           HA       ASP  21 -13.703   6.524 -14.422
  169    HB2  ASP  21           HB2      ASP  21 -13.666   8.997 -14.171
  170    HB3  ASP  21           HB3      ASP  21 -12.097   9.047 -14.977
  171    H    ALA  22           H        ALA  22 -10.368   6.128 -14.030
  172    HA   ALA  22           HA       ALA  22  -9.617   5.970 -16.841
  173    HB1  ALA  22           HB1      ALA  22  -7.427   5.383 -16.015
  174    HB2  ALA  22           HB2      ALA  22  -8.039   6.745 -15.070
  175    HB3  ALA  22           HB3      ALA  22  -8.050   5.098 -14.381
  176    H    GLU  23           H        GLU  23  -8.273   3.898 -17.440
  177    HA   GLU  23           HA       GLU  23  -9.543   1.382 -16.594
  178    HB2  GLU  23           HB2      GLU  23 -11.016   2.380 -18.394
  179    HB3  GLU  23           HB3      GLU  23  -9.634   2.364 -19.484
  180    HG2  GLU  23           HG2      GLU  23 -10.982   0.455 -19.982
  181    HG3  GLU  23           HG3      GLU  23  -9.512  -0.139 -19.230
  182    H    ASP  24           H        ASP  24  -7.249   3.022 -18.882
  183    HA   ASP  24           HA       ASP  24  -5.194   0.956 -18.321
  184    HB2  ASP  24           HB2      ASP  24  -6.500   0.522 -20.505
  185    HB3  ASP  24           HB3      ASP  24  -5.758   2.028 -21.081
  186    H    LYS  25           H        LYS  25  -3.060   1.822 -19.387
  187    HA   LYS  25           HA       LYS  25  -2.087   3.717 -17.806
  188    HB2  LYS  25           HB2      LYS  25  -1.116   2.015 -19.548
  189    HB3  LYS  25           HB3      LYS  25  -1.093   3.429 -20.629
  190    HG2  LYS  25           HG2      LYS  25   0.320   4.624 -19.050
  191    HG3  LYS  25           HG3      LYS  25   0.080   3.327 -17.847
  192    HD2  LYS  25           HD2      LYS  25   2.322   3.210 -18.967
  193    HD3  LYS  25           HD3      LYS  25   1.328   1.744 -19.138
  194    HE2  LYS  25           HE2      LYS  25   0.613   2.432 -21.370
  195    HE3  LYS  25           HE3      LYS  25   1.516   3.947 -21.234
  196    HZ1  LYS  25           HZ1      LYS  25   2.733   1.238 -21.266
  197    HZ2  LYS  25           HZ2      LYS  25   2.750   2.295 -22.504
  198    HZ3  LYS  25           HZ3      LYS  25   3.568   2.638 -21.139
  199    H    GLU  26           H        GLU  26  -3.351   4.428 -21.069
  200    HA   GLU  26           HA       GLU  26  -2.486   7.194 -21.030
  201    HB2  GLU  26           HB2      GLU  26  -4.525   5.713 -22.751
  202    HB3  GLU  26           HB3      GLU  26  -4.035   7.395 -23.008
  203    HG2  GLU  26           HG2      GLU  26  -1.676   6.673 -23.294
  204    HG3  GLU  26           HG3      GLU  26  -2.154   4.992 -23.068
  205    H    GLU  27           H        GLU  27  -5.513   5.487 -20.225
  206    HA   GLU  27           HA       GLU  27  -7.040   7.895 -19.668
  207    HB2  GLU  27           HB2      GLU  27  -7.535   5.081 -18.647
  208    HB3  GLU  27           HB3      GLU  27  -8.691   6.403 -18.770
  209    HG2  GLU  27           HG2      GLU  27  -7.420   4.849 -21.055
  210    HG3  GLU  27           HG3      GLU  27  -9.092   4.777 -20.521
  211    H    ARG  28           H        ARG  28  -4.911   5.722 -17.804
  212    HA   ARG  28           HA       ARG  28  -5.547   6.854 -15.219
  213    HB2  ARG  28           HB2      ARG  28  -3.099   5.333 -16.215
  214    HB3  ARG  28           HB3      ARG  28  -3.391   5.745 -14.522
  215    HG2  ARG  28           HG2      ARG  28  -5.316   4.319 -14.387
  216    HG3  ARG  28           HG3      ARG  28  -5.401   4.133 -16.132
  217    HD2  ARG  28           HD2      ARG  28  -3.092   2.984 -15.982
  218    HD3  ARG  28           HD3      ARG  28  -3.402   2.874 -14.241
  219    HE   ARG  28           HE       ARG  28  -5.685   1.932 -15.643
  220   HH11  ARG  28          HH11      ARG  28  -2.303   0.871 -15.088
  221   HH12  ARG  28          HH12      ARG  28  -2.710  -0.803 -15.218
  222   HH21  ARG  28          HH21      ARG  28  -6.089  -0.267 -16.124
  223   HH22  ARG  28          HH22      ARG  28  -4.890  -1.464 -15.775
  224    H    ALA  29           H        ALA  29  -2.938   7.558 -17.633
  225    HA   ALA  29           HA       ALA  29  -1.817   9.746 -16.215
  226    HB1  ALA  29           HB1      ALA  29  -0.786   8.652 -18.186
  227    HB2  ALA  29           HB2      ALA  29  -2.054   9.336 -19.223
  228    HB3  ALA  29           HB3      ALA  29  -0.906  10.410 -18.382
  229    H    MET  30           H        MET  30  -4.573   9.677 -18.577
  230    HA   MET  30           HA       MET  30  -5.045  12.485 -18.392
  231    HB2  MET  30           HB2      MET  30  -6.852  10.204 -19.214
  232    HB3  MET  30           HB3      MET  30  -7.325  11.902 -19.283
  233    HG2  MET  30           HG2      MET  30  -4.952  10.700 -20.765
  234    HG3  MET  30           HG3      MET  30  -6.528  11.059 -21.443
  235    HE1  MET  30           HE1      MET  30  -3.056  12.128 -20.708
  236    HE2  MET  30           HE2      MET  30  -2.988  13.871 -21.041
  237    HE3  MET  30           HE3      MET  30  -3.516  13.296 -19.460
  238    H    GLY  31           H        GLY  31  -6.307   9.811 -16.355
  239    HA2  GLY  31           HA2      GLY  31  -8.182  11.307 -14.874
  240    HA3  GLY  31           HA3      GLY  31  -7.251   9.918 -14.273
  241    H    TRP  32           H        TRP  32  -4.679  10.713 -14.169
  242    HA   TRP  32           HA       TRP  32  -4.466  12.465 -11.952
  243    HB2  TRP  32           HB2      TRP  32  -2.518  11.340 -13.979
  244    HB3  TRP  32           HB3      TRP  32  -2.003  12.601 -12.870
  245    HD1  TRP  32           HD1      TRP  32  -2.712   8.917 -12.935
  246    HE1  TRP  32           HE1      TRP  32  -2.118   7.887 -10.659
  247    HE3  TRP  32           HE3      TRP  32  -2.113  13.234 -10.284
  248    HZ2  TRP  32           HZ2      TRP  32  -1.657   8.876  -7.935
  249    HZ3  TRP  32           HZ3      TRP  32  -1.599  13.172  -7.855
  250    HH2  TRP  32           HH2      TRP  32  -1.341  10.992  -6.693
  251    H    TYR  33           H        TYR  33  -3.932  13.117 -15.460
  252    HA   TYR  33           HA       TYR  33  -3.046  15.763 -15.131
  253    HB2  TYR  33           HB2      TYR  33  -2.689  14.597 -17.192
  254    HB3  TYR  33           HB3      TYR  33  -4.402  14.274 -17.381
  255    HD1  TYR  33           HD2      TYR  33  -2.375  17.417 -16.824
  256    HD2  TYR  33           HD1      TYR  33  -5.344  15.360 -19.162
  257    HE1  TYR  33           HE2      TYR  33  -2.694  19.454 -18.188
  258    HE2  TYR  33           HE1      TYR  33  -5.763  17.416 -20.455
  259    HH   TYR  33           HH       TYR  33  -3.835  20.422 -19.964
  260    H    TYR  34           H        TYR  34  -6.428  14.552 -15.721
  261    HA   TYR  34           HA       TYR  34  -7.540  17.187 -15.855
  262    HB2  TYR  34           HB2      TYR  34  -8.840  14.531 -15.149
  263    HB3  TYR  34           HB3      TYR  34  -9.690  16.007 -15.574
  264    HD1  TYR  34           HD2      TYR  34  -7.275  16.360 -17.969
  265    HD2  TYR  34           HD1      TYR  34 -10.334  13.515 -16.843
  266    HE1  TYR  34           HE2      TYR  34  -7.485  15.646 -20.316
  267    HE2  TYR  34           HE1      TYR  34 -10.512  12.773 -19.197
  268    HH   TYR  34           HH       TYR  34  -8.532  14.219 -21.827
  269    H    TYR  35           H        TYR  35  -7.104  14.831 -13.151
  270    HA   TYR  35           HA       TYR  35  -8.627  16.290 -11.242
  271    HB2  TYR  35           HB2      TYR  35  -7.917  13.914 -11.052
  272    HB3  TYR  35           HB3      TYR  35  -6.248  14.429 -10.848
  273    HD1  TYR  35           HD2      TYR  35  -9.629  14.362  -9.308
  274    HD2  TYR  35           HD1      TYR  35  -5.463  15.282  -8.706
  275    HE1  TYR  35           HE2      TYR  35 -10.012  14.474  -6.873
  276    HE2  TYR  35           HE1      TYR  35  -5.835  15.433  -6.264
  277    HH   TYR  35           HH       TYR  35  -9.038  14.683  -4.787
  278    H    LEU  36           H        LEU  36  -5.104  16.364 -12.034
  279    HA   LEU  36           HA       LEU  36  -4.430  18.342 -10.058
  280    HB2  LEU  36           HB2      LEU  36  -3.112  17.100 -12.468
  281    HB3  LEU  36           HB3      LEU  36  -2.490  18.629 -11.897
  282    HG   LEU  36           HG       LEU  36  -1.815  17.829  -9.825
  283   HD11  LEU  36          HD11      LEU  36  -2.193  15.503  -9.002
  284   HD12  LEU  36          HD12      LEU  36  -3.656  16.479  -9.057
  285   HD13  LEU  36          HD13      LEU  36  -3.366  15.261 -10.320
  286   HD21  LEU  36          HD21      LEU  36  -0.432  17.127 -11.788
  287   HD22  LEU  36          HD22      LEU  36  -0.269  16.031 -10.403
  288   HD23  LEU  36          HD23      LEU  36  -1.279  15.569 -11.791
  289    H    ASP  37           H        ASP  37  -5.301  18.549 -13.564
  290    HA   ASP  37           HA       ASP  37  -4.968  21.331 -13.794
  291    HB2  ASP  37           HB2      ASP  37  -5.251  19.897 -15.737
  292    HB3  ASP  37           HB3      ASP  37  -6.862  19.415 -15.204
  293    H    ASP  38           H        ASP  38  -7.706  19.470 -12.470
  294    HA   ASP  38           HA       ASP  38  -9.411  21.823 -12.221
  295    HB2  ASP  38           HB2      ASP  38 -10.330  19.562 -12.551
  296    HB3  ASP  38           HB3      ASP  38  -9.603  19.027 -11.035
  297    H    THR  39           H        THR  39  -6.851  20.401 -10.310
  298    HA   THR  39           HA       THR  39  -7.961  21.526  -7.778
  299    HB   THR  39           HB       THR  39  -5.689  19.587  -8.360
  300    HG1  THR  39           HG1      THR  39  -7.531  18.595  -8.752
  301   HG21  THR  39          HG21      THR  39  -5.965  19.109  -5.843
  302   HG22  THR  39          HG22      THR  39  -5.123  20.603  -6.303
  303   HG23  THR  39          HG23      THR  39  -6.802  20.675  -5.761
  304    H    LEU  40           H        LEU  40  -4.997  21.725  -9.799
  305    HA   LEU  40           HA       LEU  40  -3.464  23.129  -7.836
  306    HB2  LEU  40           HB2      LEU  40  -3.185  22.844 -10.843
  307    HB3  LEU  40           HB3      LEU  40  -1.951  23.572  -9.823
  308    HG   LEU  40           HG       LEU  40  -2.902  20.697  -9.475
  309   HD11  LEU  40          HD11      LEU  40  -0.497  21.770 -11.038
  310   HD12  LEU  40          HD12      LEU  40  -0.860  20.058 -10.744
  311   HD13  LEU  40          HD13      LEU  40  -1.948  21.031 -11.747
  312   HD21  LEU  40          HD21      LEU  40  -1.768  21.521  -7.507
  313   HD22  LEU  40          HD22      LEU  40  -0.783  20.334  -8.351
  314   HD23  LEU  40          HD23      LEU  40  -0.379  22.058  -8.492
  315    H    GLU  41           H        GLU  41  -3.516  25.226  -7.283
  316    HA   GLU  41           HA       GLU  41  -5.203  27.133  -8.683
  317    HB2  GLU  41           HB2      GLU  41  -3.471  27.268  -6.176
  318    HB3  GLU  41           HB3      GLU  41  -4.459  28.612  -6.744
  319    HG2  GLU  41           HG2      GLU  41  -5.619  25.890  -6.028
  320    HG3  GLU  41           HG3      GLU  41  -5.492  27.245  -4.920
  321    H    PHE  42           H        PHE  42  -3.258  26.395 -10.494
  322    HA   PHE  42           HA       PHE  42  -1.025  28.239 -10.513
  323    HB2  PHE  42           HB2      PHE  42  -0.876  27.585 -12.945
  324    HB3  PHE  42           HB3      PHE  42  -0.705  26.306 -11.769
  325    HD1  PHE  42           HD1      PHE  42  -3.358  27.922 -13.946
  326    HD2  PHE  42           HD2      PHE  42  -1.823  24.307 -12.157
  327    HE1  PHE  42           HE1      PHE  42  -5.093  26.600 -15.117
  328    HE2  PHE  42           HE2      PHE  42  -3.575  22.996 -13.315
  329    HZ   PHE  42           HZ       PHE  42  -5.219  24.139 -14.791
  330    HA   PRO  43           HA       PRO  43   0.047  29.489 -12.536
  331    HB2  PRO  43           HB2      PRO  43   0.790  32.117 -12.553
  332    HB3  PRO  43           HB3      PRO  43   0.003  31.319 -13.946
  333    HG2  PRO  43           HG2      PRO  43  -1.308  33.028 -11.820
  334    HG3  PRO  43           HG3      PRO  43  -1.487  33.136 -13.602
  335    HD2  PRO  43           HD2      PRO  43  -3.288  31.799 -12.053
  336    HD3  PRO  43           HD3      PRO  43  -2.839  31.200 -13.676
  337    H    PHE  44           H        PHE  44   1.823  29.512 -11.069
  338    HA   PHE  44           HA       PHE  44   1.569  30.970  -8.544
  339    HB2  PHE  44           HB2      PHE  44   1.869  29.063  -7.103
  340    HB3  PHE  44           HB3      PHE  44   0.322  29.026  -7.912
  341    HD1  PHE  44           HD1      PHE  44   3.801  27.577  -8.251
  342    HD2  PHE  44           HD2      PHE  44  -0.428  26.941  -8.693
  343    HE1  PHE  44           HE1      PHE  44   4.228  25.210  -8.722
  344    HE2  PHE  44           HE2      PHE  44   0.001  24.560  -9.224
  345    HZ   PHE  44           HZ       PHE  44   2.323  23.675  -9.235
  346    H    MET  45           H        MET  45   3.641  30.753  -7.260
  347    HA   MET  45           HA       MET  45   5.919  30.685  -9.149
  348    HB2  MET  45           HB2      MET  45   5.617  32.566  -7.512
  349    HB3  MET  45           HB3      MET  45   5.672  31.404  -6.178
  350    HG2  MET  45           HG2      MET  45   8.000  30.795  -6.865
  351    HG3  MET  45           HG3      MET  45   7.926  32.047  -8.112
  352    HE1  MET  45           HE1      MET  45  10.157  33.045  -7.129
  353    HE2  MET  45           HE2      MET  45  10.429  33.342  -5.395
  354    HE3  MET  45           HE3      MET  45  10.135  31.685  -5.987
  355    H    GLY  46           H        GLY  46   7.674  29.148  -8.920
  356    HA2  GLY  46           HA2      GLY  46   7.642  27.363  -6.604
  357    HA3  GLY  46           HA3      GLY  46   7.332  26.570  -8.154
  358    H    LYS  47           H        LYS  47   9.451  25.797  -6.760
  359    HA   LYS  47           HA       LYS  47  11.795  27.009  -8.154
  360    HB2  LYS  47           HB2      LYS  47  11.791  26.408  -5.559
  361    HB3  LYS  47           HB3      LYS  47  11.922  24.747  -6.114
  362    HG2  LYS  47           HG2      LYS  47  14.151  25.383  -5.774
  363    HG3  LYS  47           HG3      LYS  47  13.955  25.543  -7.512
  364    HD2  LYS  47           HD2      LYS  47  15.093  27.537  -6.900
  365    HD3  LYS  47           HD3      LYS  47  13.424  28.044  -7.053
  366    HE2  LYS  47           HE2      LYS  47  14.098  29.075  -5.085
  367    HE3  LYS  47           HE3      LYS  47  13.204  27.664  -4.513
  368    HZ1  LYS  47           HZ1      LYS  47  16.147  27.971  -4.632
  369    HZ2  LYS  47           HZ2      LYS  47  15.233  27.861  -3.293
  370    HZ3  LYS  47           HZ3      LYS  47  15.435  26.546  -4.251
  371    H    TRP  48           H        TRP  48  12.585  25.912  -9.903
  372    HA   TRP  48           HA       TRP  48  11.437  23.262 -10.621
  373    HB2  TRP  48           HB2      TRP  48  11.474  25.068 -12.346
  374    HB3  TRP  48           HB3      TRP  48  13.218  25.164 -12.203
  375    HD1  TRP  48           HD1      TRP  48  12.405  21.592 -12.125
  376    HE1  TRP  48           HE1      TRP  48  12.649  20.478 -14.384
  377    HE3  TRP  48           HE3      TRP  48  12.620  25.791 -15.040
  378    HZ2  TRP  48           HZ2      TRP  48  12.805  21.296 -17.170
  379    HZ3  TRP  48           HZ3      TRP  48  12.755  25.588 -17.509
  380    HH2  TRP  48           HH2      TRP  48  12.837  23.348 -18.582
  381    H    LYS  49           H        LYS  49  12.532  21.699  -9.526
  382    HA   LYS  49           HA       LYS  49  15.434  21.854  -8.999
  383    HB2  LYS  49           HB2      LYS  49  13.154  19.967  -8.254
  384    HB3  LYS  49           HB3      LYS  49  14.839  19.455  -8.123
  385    HG2  LYS  49           HG2      LYS  49  15.379  21.298  -6.655
  386    HG3  LYS  49           HG3      LYS  49  13.742  21.964  -6.785
  387    HD2  LYS  49           HD2      LYS  49  12.790  20.148  -5.571
  388    HD3  LYS  49           HD3      LYS  49  14.256  19.151  -5.737
  389    HE2  LYS  49           HE2      LYS  49  15.540  20.639  -4.339
  390    HE3  LYS  49           HE3      LYS  49  14.218  21.818  -4.267
  391    HZ1  LYS  49           HZ1      LYS  49  14.356  20.431  -2.270
  392    HZ2  LYS  49           HZ2      LYS  49  12.906  20.286  -3.009
  393    HZ3  LYS  49           HZ3      LYS  49  14.034  19.087  -3.138
  394    H    LYS  50           H        LYS  50  15.958  22.099 -11.246
  395    HA   LYS  50           HA       LYS  50  15.168  19.929 -13.124
  396    HB2  LYS  50           HB2      LYS  50  15.378  22.441 -13.729
  397    HB3  LYS  50           HB3      LYS  50  17.127  22.226 -13.588
  398    HG2  LYS  50           HG2      LYS  50  17.026  20.459 -15.358
  399    HG3  LYS  50           HG3      LYS  50  15.271  20.668 -15.453
  400    HD2  LYS  50           HD2      LYS  50  15.608  23.036 -16.155
  401    HD3  LYS  50           HD3      LYS  50  17.369  22.793 -16.077
  402    HE2  LYS  50           HE2      LYS  50  17.178  20.963 -17.762
  403    HE3  LYS  50           HE3      LYS  50  15.432  21.227 -17.849
  404    HZ1  LYS  50           HZ1      LYS  50  16.589  22.335 -19.649
  405    HZ2  LYS  50           HZ2      LYS  50  15.877  23.455 -18.705
  406    HZ3  LYS  50           HZ3      LYS  50  17.496  23.211 -18.621
  407    H    LYS  51           H        LYS  51  16.789  18.295 -13.837
  408    HA   LYS  51           HA       LYS  51  19.025  17.817 -12.182
  409    HB2  LYS  51           HB2      LYS  51  17.982  16.275 -13.993
  410    HB3  LYS  51           HB3      LYS  51  18.977  17.164 -15.159
  411    HG2  LYS  51           HG2      LYS  51  21.007  16.539 -13.694
  412    HG3  LYS  51           HG3      LYS  51  19.909  15.563 -12.730
  413    HD2  LYS  51           HD2      LYS  51  21.026  14.097 -14.250
  414    HD3  LYS  51           HD3      LYS  51  19.354  14.222 -14.770
  415    HE2  LYS  51           HE2      LYS  51  20.897  14.230 -16.668
  416    HE3  LYS  51           HE3      LYS  51  19.985  15.737 -16.603
  417    HZ1  LYS  51           HZ1      LYS  51  22.462  15.887 -17.035
  418    HZ2  LYS  51           HZ2      LYS  51  21.899  16.894 -15.884
  419    HZ3  LYS  51           HZ3      LYS  51  22.707  15.556 -15.442
  420    H    SER  52           H        SER  52  21.248  18.371 -12.419
  421    HA   SER  52           HA       SER  52  22.022  20.921 -13.306
  422    HB2  SER  52           HB2      SER  52  23.326  19.752 -11.676
  423    HB3  SER  52           HB3      SER  52  23.484  18.331 -12.711
  424    HG   SER  52           HG       SER  52  25.364  19.488 -12.713
  425    H    ARG  53           H        ARG  53  23.186  21.609 -15.064
  426    HA   ARG  53           HA       ARG  53  22.593  20.461 -17.640
  427    HB2  ARG  53           HB2      ARG  53  22.887  22.901 -17.093
  428    HB3  ARG  53           HB3      ARG  53  24.606  22.614 -16.824
  429    HG2  ARG  53           HG2      ARG  53  24.876  21.920 -19.191
  430    HG3  ARG  53           HG3      ARG  53  23.145  22.146 -19.473
  431    HD2  ARG  53           HD2      ARG  53  25.096  24.326 -18.605
  432    HD3  ARG  53           HD3      ARG  53  24.589  24.028 -20.277
  433    HE   ARG  53           HE       ARG  53  22.223  24.343 -18.862
  434   HH11  ARG  53          HH11      ARG  53  25.070  26.355 -19.533
  435   HH12  ARG  53          HH12      ARG  53  24.217  27.850 -19.433
  436   HH21  ARG  53          HH21      ARG  53  21.083  26.339 -18.718
  437   HH22  ARG  53          HH22      ARG  53  21.900  27.835 -18.963
  438    H    LYS  54           H        LYS  54  25.208  19.979 -15.303
  439    HA   LYS  54           HA       LYS  54  26.837  18.604 -17.417
  440    HB2  LYS  54           HB2      LYS  54  27.753  20.206 -14.995
  441    HB3  LYS  54           HB3      LYS  54  28.816  19.363 -16.112
  442    HG2  LYS  54           HG2      LYS  54  27.029  21.725 -16.836
  443    HG3  LYS  54           HG3      LYS  54  28.760  21.776 -16.513
  444    HD2  LYS  54           HD2      LYS  54  29.144  20.229 -18.469
  445    HD3  LYS  54           HD3      LYS  54  27.414  20.290 -18.811
  446    HE2  LYS  54           HE2      LYS  54  28.451  21.834 -20.287
  447    HE3  LYS  54           HE3      LYS  54  27.565  22.773 -19.084
  448    HZ1  LYS  54           HZ1      LYS  54  29.687  23.181 -17.956
  449    HZ2  LYS  54           HZ2      LYS  54  30.494  22.287 -19.065
  450    HZ3  LYS  54           HZ3      LYS  54  29.770  23.676 -19.504
  451    H    THR  55           H        THR  55  25.209  18.044 -14.408
  452    HA   THR  55           HA       THR  55  26.766  15.546 -14.002
  453    HB   THR  55           HB       THR  55  26.678  16.184 -11.499
  454    HG1  THR  55           HG1      THR  55  25.765  17.996 -11.099
  455   HG21  THR  55          HG21      THR  55  28.748  17.419 -11.560
  456   HG22  THR  55          HG22      THR  55  28.782  16.209 -12.853
  457   HG23  THR  55          HG23      THR  55  28.478  17.920 -13.239
  458    H    SER  56           H        SER  56  25.626  14.219 -12.172
  459    HA   SER  56           HA       SER  56  22.871  13.832 -12.954
  460    HB2  SER  56           HB2      SER  56  24.449  12.527 -10.706
  461    HB3  SER  56           HB3      SER  56  23.006  11.894 -11.517
  462    HG   SER  56           HG       SER  56  24.944  10.951 -12.308
  463    H    THR  57           H        THR  57  24.284  15.983 -10.697
  464    HA   THR  57           HA       THR  57  22.462  15.711  -8.493
  465    HB   THR  57           HB       THR  57  23.590  18.016  -7.989
  466    HG1  THR  57           HG1      THR  57  25.312  18.528  -9.207
  467   HG21  THR  57          HG21      THR  57  25.685  16.923  -7.294
  468   HG22  THR  57          HG22      THR  57  24.297  15.882  -6.944
  469   HG23  THR  57          HG23      THR  57  25.336  15.532  -8.343
  470    H    ILE  58           H        ILE  58  21.097  17.611  -7.778
  471    HA   ILE  58           HA       ILE  58  19.420  18.636  -9.983
  472    HB   ILE  58           HB       ILE  58  19.277  18.603  -6.962
  473   HG12  ILE  58          HG12      ILE  58  18.723  16.515  -8.208
  474   HG13  ILE  58          HG13      ILE  58  17.397  17.146  -7.244
  475   HG21  ILE  58          HG21      ILE  58  17.025  19.609  -7.060
  476   HG22  ILE  58          HG22      ILE  58  18.303  20.739  -7.488
  477   HG23  ILE  58          HG23      ILE  58  17.304  20.033  -8.774
  478   HD11  ILE  58          HD11      ILE  58  16.630  16.264  -9.395
  479   HD12  ILE  58          HD12      ILE  58  16.299  17.994  -9.291
  480   HD13  ILE  58          HD13      ILE  58  17.657  17.401 -10.275
  481    H    GLU  59           H        GLU  59  19.038  20.803 -10.326
  482    HA   GLU  59           HA       GLU  59  20.877  22.837  -9.230
  483    HB2  GLU  59           HB2      GLU  59  21.809  22.043 -11.373
  484    HB3  GLU  59           HB3      GLU  59  20.252  22.282 -12.167
  485    HG2  GLU  59           HG2      GLU  59  21.675  24.103 -12.763
  486    HG3  GLU  59           HG3      GLU  59  20.432  24.740 -11.690
  487    H    GLU  60           H        GLU  60  19.415  24.040  -8.145
  488    HA   GLU  60           HA       GLU  60  16.576  24.046  -8.806
  489    HB2  GLU  60           HB2      GLU  60  18.326  25.381  -6.701
  490    HB3  GLU  60           HB3      GLU  60  16.617  25.780  -6.886
  491    HG2  GLU  60           HG2      GLU  60  15.940  23.508  -6.449
  492    HG3  GLU  60           HG3      GLU  60  17.619  22.950  -6.412
  493    H    LYS  61           H        LYS  61  15.512  25.531 -10.057
  494    HA   LYS  61           HA       LYS  61  16.732  28.262 -10.362
  495    HB2  LYS  61           HB2      LYS  61  15.116  26.640 -12.392
  496    HB3  LYS  61           HB3      LYS  61  15.490  28.360 -12.526
  497    HG2  LYS  61           HG2      LYS  61  17.991  27.614 -12.299
  498    HG3  LYS  61           HG3      LYS  61  17.390  26.004 -12.734
  499    HD2  LYS  61           HD2      LYS  61  16.975  28.584 -14.308
  500    HD3  LYS  61           HD3      LYS  61  18.187  27.350 -14.692
  501    HE2  LYS  61           HE2      LYS  61  16.422  25.722 -15.205
  502    HE3  LYS  61           HE3      LYS  61  15.176  26.861 -14.669
  503    HZ1  LYS  61           HZ1      LYS  61  16.965  27.278 -16.988
  504    HZ2  LYS  61           HZ2      LYS  61  15.366  26.935 -17.056
  505    HZ3  LYS  61           HZ3      LYS  61  15.876  28.372 -16.432
  506    H    THR  62           H        THR  62  15.080  29.964 -10.467
  507    HA   THR  62           HA       THR  62  12.654  29.191  -8.907
  508    HB   THR  62           HB       THR  62  14.014  31.904  -9.157
  509    HG1  THR  62           HG1      THR  62  15.415  30.553  -8.089
  510   HG21  THR  62          HG21      THR  62  11.647  31.972  -8.462
  511   HG22  THR  62          HG22      THR  62  11.975  30.779  -7.184
  512   HG23  THR  62          HG23      THR  62  12.717  32.398  -7.115
  513    H    VAL  63           H        VAL  63  10.691  29.357  -9.934
  514    HA   VAL  63           HA       VAL  63  10.578  30.826 -12.499
  515    HB   VAL  63           HB       VAL  63   9.680  28.906 -13.652
  516   HG11  VAL  63          HG11      VAL  63  12.210  29.184 -13.591
  517   HG12  VAL  63          HG12      VAL  63  12.261  27.954 -12.324
  518   HG13  VAL  63          HG13      VAL  63  11.637  27.551 -13.931
  519   HG21  VAL  63          HG21      VAL  63  10.205  27.237 -11.151
  520   HG22  VAL  63          HG22      VAL  63   8.604  27.695 -11.767
  521   HG23  VAL  63          HG23      VAL  63   9.647  26.647 -12.730
  522    H    GLU  64           H        GLU  64   8.428  31.113 -13.280
  523    HA   GLU  64           HA       GLU  64   6.261  30.914 -11.214
  524    HB2  GLU  64           HB2      GLU  64   6.747  33.236 -11.945
  525    HB3  GLU  64           HB3      GLU  64   6.482  32.770 -13.627
  526    HG2  GLU  64           HG2      GLU  64   4.134  32.216 -13.137
  527    HG3  GLU  64           HG3      GLU  64   4.400  32.484 -11.413
  528    H    VAL  65           H        VAL  65   4.841  29.278 -11.654
  529    HA   VAL  65           HA       VAL  65   4.935  27.975 -14.293
  530    HB   VAL  65           HB       VAL  65   3.836  26.202 -13.481
  531   HG11  VAL  65          HG11      VAL  65   6.017  26.487 -12.254
  532   HG12  VAL  65          HG12      VAL  65   5.098  27.116 -10.871
  533   HG13  VAL  65          HG13      VAL  65   4.841  25.453 -11.429
  534   HG21  VAL  65          HG21      VAL  65   2.431  25.965 -11.526
  535   HG22  VAL  65          HG22      VAL  65   2.589  27.699 -11.195
  536   HG23  VAL  65          HG23      VAL  65   1.783  27.124 -12.678
  537    H    LEU  66           H        LEU  66   3.412  28.278 -15.863
  538    HA   LEU  66           HA       LEU  66   1.410  30.402 -15.347
  539    HB2  LEU  66           HB2      LEU  66   2.149  28.998 -17.944
  540    HB3  LEU  66           HB3      LEU  66   1.091  30.379 -17.759
  541    HG   LEU  66           HG       LEU  66   3.043  31.297 -18.559
  542   HD11  LEU  66          HD11      LEU  66   3.935  32.759 -16.844
  543   HD12  LEU  66          HD12      LEU  66   2.199  32.540 -16.566
  544   HD13  LEU  66          HD13      LEU  66   3.383  31.680 -15.552
  545   HD21  LEU  66          HD21      LEU  66   5.280  30.851 -17.899
  546   HD22  LEU  66          HD22      LEU  66   4.780  29.881 -16.512
  547   HD23  LEU  66          HD23      LEU  66   4.495  29.290 -18.166
  548    H    GLY  67           H        GLY  67   1.509  26.900 -15.793
  549    HA2  GLY  67           HA2      GLY  67  -1.023  26.228 -15.020
  550    HA3  GLY  67           HA3      GLY  67  -1.175  26.591 -16.750
  551    H    MET  68           H        MET  68  -1.651  24.059 -16.072
  552    HA   MET  68           HA       MET  68   0.675  22.330 -16.303
  553    HB2  MET  68           HB2      MET  68  -2.265  21.781 -16.801
  554    HB3  MET  68           HB3      MET  68  -0.965  20.586 -16.946
  555    HG2  MET  68           HG2      MET  68  -0.291  21.125 -14.564
  556    HG3  MET  68           HG3      MET  68  -1.755  22.100 -14.444
  557    HE1  MET  68           HE1      MET  68  -0.165  18.639 -14.047
  558    HE2  MET  68           HE2      MET  68  -1.440  17.504 -14.548
  559    HE3  MET  68           HE3      MET  68  -0.624  18.518 -15.761
  560    H    ALA  69           H        ALA  69   1.300  21.148 -18.130
  561    HA   ALA  69           HA       ALA  69   1.321  22.520 -20.682
  562    HB1  ALA  69           HB1      ALA  69   3.105  20.950 -19.781
  563    HB2  ALA  69           HB2      ALA  69   1.936  19.617 -20.024
  564    HB3  ALA  69           HB3      ALA  69   2.554  20.521 -21.403
  565    HA   PRO  70           HA       PRO  70  -2.400  20.726 -22.444
  566    HB2  PRO  70           HB2      PRO  70  -1.673  19.927 -24.990
  567    HB3  PRO  70           HB3      PRO  70  -1.939  21.628 -24.504
  568    HG2  PRO  70           HG2      PRO  70   0.691  20.124 -24.658
  569    HG3  PRO  70           HG3      PRO  70   0.301  21.745 -25.322
  570    HD2  PRO  70           HD2      PRO  70   1.569  21.493 -22.965
  571    HD3  PRO  70           HD3      PRO  70   0.294  22.723 -23.156
  572    H    ASP  71           H        ASP  71  -3.388  18.735 -23.105
  573    HA   ASP  71           HA       ASP  71  -2.643  16.533 -21.618
  574    HB2  ASP  71           HB2      ASP  71  -4.481  15.458 -22.488
  575    HB3  ASP  71           HB3      ASP  71  -4.915  17.149 -22.666
  576    H    ASP  72           H        ASP  72  -1.581  17.341 -24.861
  577    HA   ASP  72           HA       ASP  72  -0.799  14.755 -25.766
  578    HB2  ASP  72           HB2      ASP  72  -1.029  16.683 -27.265
  579    HB3  ASP  72           HB3      ASP  72   0.289  17.517 -26.435
  580    H    GLU  73           H        GLU  73   0.726  17.054 -23.579
  581    HA   GLU  73           HA       GLU  73   3.268  15.520 -23.502
  582    HB2  GLU  73           HB2      GLU  73   2.276  17.950 -21.943
  583    HB3  GLU  73           HB3      GLU  73   3.821  17.163 -21.661
  584    HG2  GLU  73           HG2      GLU  73   2.966  18.512 -24.250
  585    HG3  GLU  73           HG3      GLU  73   4.047  19.183 -23.034
  586    H    CYS  74           H        CYS  74   0.414  16.318 -21.493
  587    HA   CYS  74           HA       CYS  74   1.340  14.914 -19.247
  588    HB2  CYS  74           HB2      CYS  74  -1.436  15.925 -19.909
  589    HB3  CYS  74           HB3      CYS  74  -0.899  15.374 -18.312
  590    HG   CYS  74           HG       CYS  74  -0.989  18.088 -18.699
  591    H    LEU  75           H        LEU  75   0.796  13.257 -21.827
  592    HA   LEU  75           HA       LEU  75  -0.717  10.972 -20.682
  593    HB2  LEU  75           HB2      LEU  75   0.505  11.648 -23.381
  594    HB3  LEU  75           HB3      LEU  75   0.078   9.988 -23.001
  595    HG   LEU  75           HG       LEU  75  -1.968  12.213 -22.754
  596   HD11  LEU  75          HD11      LEU  75  -2.753  11.598 -25.004
  597   HD12  LEU  75          HD12      LEU  75  -1.107  12.245 -25.045
  598   HD13  LEU  75          HD13      LEU  75  -1.370  10.492 -25.194
  599   HD21  LEU  75          HD21      LEU  75  -3.573  10.365 -22.999
  600   HD22  LEU  75          HD22      LEU  75  -2.241   9.203 -23.170
  601   HD23  LEU  75          HD23      LEU  75  -2.503  10.046 -21.632
  602    H    LYS  76           H        LYS  76   2.413  12.256 -20.568
  603    HA   LYS  76           HA       LYS  76   3.757   9.570 -20.502
  604    HB2  LYS  76           HB2      LYS  76   4.817  12.326 -21.218
  605    HB3  LYS  76           HB3      LYS  76   5.786  10.853 -21.165
  606    HG2  LYS  76           HG2      LYS  76   4.492   9.848 -22.962
  607    HG3  LYS  76           HG3      LYS  76   3.372  11.211 -23.005
  608    HD2  LYS  76           HD2      LYS  76   6.345  11.413 -23.662
  609    HD3  LYS  76           HD3      LYS  76   5.040  11.224 -24.827
  610    HE2  LYS  76           HE2      LYS  76   5.026  13.452 -24.959
  611    HE3  LYS  76           HE3      LYS  76   4.063  13.376 -23.485
  612    HZ1  LYS  76           HZ1      LYS  76   6.128  13.773 -22.223
  613    HZ2  LYS  76           HZ2      LYS  76   7.000  13.785 -23.615
  614    HZ3  LYS  76           HZ3      LYS  76   5.893  14.953 -23.342
  615    H    ASP  77           H        ASP  77   3.400  12.653 -18.816
  616    HA   ASP  77           HA       ASP  77   4.298  11.693 -16.270
  617    HB2  ASP  77           HB2      ASP  77   6.457  12.406 -17.722
  618    HB3  ASP  77           HB3      ASP  77   5.905  14.030 -17.343
  619    H    MET  78           H        MET  78   4.175  13.984 -14.856
  620    HA   MET  78           HA       MET  78   1.832  15.520 -15.972
  621    HB2  MET  78           HB2      MET  78   3.034  15.409 -13.182
  622    HB3  MET  78           HB3      MET  78   1.793  16.565 -13.685
  623    HG2  MET  78           HG2      MET  78   1.497  13.539 -13.704
  624    HG3  MET  78           HG3      MET  78   0.860  14.629 -12.489
  625    HE1  MET  78           HE1      MET  78  -1.154  13.241 -16.275
  626    HE2  MET  78           HE2      MET  78   0.574  13.605 -16.374
  627    HE3  MET  78           HE3      MET  78  -0.023  12.428 -15.180
  628    H    TYR  79           H        TYR  79   2.187  17.718 -16.610
  629    HA   TYR  79           HA       TYR  79   4.928  18.802 -16.243
  630    HB2  TYR  79           HB2      TYR  79   3.413  18.598 -18.858
  631    HB3  TYR  79           HB3      TYR  79   4.904  19.487 -18.641
  632    HD1  TYR  79           HD1      TYR  79   3.351  16.162 -18.939
  633    HD2  TYR  79           HD2      TYR  79   7.055  18.359 -18.748
  634    HE1  TYR  79           HE1      TYR  79   4.546  14.229 -19.894
  635    HE2  TYR  79           HE2      TYR  79   8.255  16.428 -19.739
  636    HH   TYR  79           HH       TYR  79   8.060  14.202 -20.523
  637    H    VAL  80           H        VAL  80   5.107  21.029 -16.695
  638    HA   VAL  80           HA       VAL  80   2.644  22.662 -16.690
  639    HB   VAL  80           HB       VAL  80   3.773  24.023 -14.820
  640   HG11  VAL  80          HG11      VAL  80   1.688  22.847 -14.447
  641   HG12  VAL  80          HG12      VAL  80   2.554  21.326 -14.118
  642   HG13  VAL  80          HG13      VAL  80   2.718  22.721 -13.026
  643   HG21  VAL  80          HG21      VAL  80   5.957  22.802 -14.785
  644   HG22  VAL  80          HG22      VAL  80   5.160  22.838 -13.205
  645   HG23  VAL  80          HG23      VAL  80   5.126  21.354 -14.181
  646    H    GLU  81           H        GLU  81   2.947  24.705 -17.510
  647    HA   GLU  81           HA       GLU  81   5.416  25.160 -19.077
  648    HB2  GLU  81           HB2      GLU  81   2.790  26.703 -18.853
  649    HB3  GLU  81           HB3      GLU  81   4.175  27.190 -19.843
  650    HG2  GLU  81           HG2      GLU  81   4.007  25.016 -21.087
  651    HG3  GLU  81           HG3      GLU  81   2.543  24.634 -20.177
  652    H    VAL  82           H        VAL  82   6.930  26.705 -18.362
  653    HA   VAL  82           HA       VAL  82   6.313  28.198 -15.882
  654    HB   VAL  82           HB       VAL  82   8.287  27.466 -14.769
  655   HG11  VAL  82          HG11      VAL  82   6.226  26.043 -14.538
  656   HG12  VAL  82          HG12      VAL  82   6.920  24.928 -15.726
  657   HG13  VAL  82          HG13      VAL  82   7.745  25.207 -14.183
  658   HG21  VAL  82          HG21      VAL  82   8.894  25.650 -17.142
  659   HG22  VAL  82          HG22      VAL  82   9.845  27.057 -16.606
  660   HG23  VAL  82          HG23      VAL  82   9.738  25.630 -15.578
  661    H    ALA  83           H        ALA  83   7.584  30.062 -15.557
  662    HA   ALA  83           HA       ALA  83   9.185  30.969 -17.913
  663    HB1  ALA  83           HB1      ALA  83   7.294  32.545 -16.109
  664    HB2  ALA  83           HB2      ALA  83   8.410  33.262 -17.291
  665    HB3  ALA  83           HB3      ALA  83   7.097  32.217 -17.851
  666    H    ASP  84           H        ASP  84  11.179  31.685 -17.409
  667    HA   ASP  84           HA       ASP  84  12.152  30.960 -14.750
  668    HB2  ASP  84           HB2      ASP  84  13.158  30.243 -16.934
  669    HB3  ASP  84           HB3      ASP  84  13.664  31.905 -17.223
  670    H    ILE  85           H        ILE  85  11.368  32.539 -13.428
  671    HA   ILE  85           HA       ILE  85  11.290  35.283 -13.737
  672    HB   ILE  85           HB       ILE  85  11.904  33.827 -11.152
  673   HG12  ILE  85          HG12      ILE  85   9.152  34.547 -12.266
  674   HG13  ILE  85          HG13      ILE  85   9.848  32.935 -12.314
  675   HG21  ILE  85          HG21      ILE  85  10.503  36.501 -11.615
  676   HG22  ILE  85          HG22      ILE  85  10.891  35.771 -10.043
  677   HG23  ILE  85          HG23      ILE  85  12.190  36.332 -11.077
  678   HD11  ILE  85          HD11      ILE  85   8.366  33.019 -10.420
  679   HD12  ILE  85          HD12      ILE  85  10.020  32.946  -9.809
  680   HD13  ILE  85          HD13      ILE  85   9.117  34.481  -9.798
  681    H    GLY  86           H        GLY  86  12.896  36.568 -14.413
  682    HA2  GLY  86           HA2      GLY  86  14.757  37.900 -14.167
  683    HA3  GLY  86           HA3      GLY  86  15.307  36.896 -12.820
  684    H    GLY  87           H        GLY  87  15.029  34.397 -14.592
  685    HA2  GLY  87           HA2      GLY  87  17.720  34.447 -15.731
  686    HA3  GLY  87           HA3      GLY  87  16.577  33.098 -15.728
  687    H    LYS  88           H        LYS  88  14.357  34.446 -16.922
  688    HA   LYS  88           HA       LYS  88  15.323  35.492 -19.540
  689    HB2  LYS  88           HB2      LYS  88  13.060  33.468 -19.259
  690    HB3  LYS  88           HB3      LYS  88  13.602  34.258 -20.735
  691    HG2  LYS  88           HG2      LYS  88  15.276  32.304 -19.113
  692    HG3  LYS  88           HG3      LYS  88  14.285  31.862 -20.490
  693    HD2  LYS  88           HD2      LYS  88  16.547  33.892 -20.667
  694    HD3  LYS  88           HD3      LYS  88  16.790  32.178 -20.915
  695    HE2  LYS  88           HE2      LYS  88  14.927  33.928 -22.593
  696    HE3  LYS  88           HE3      LYS  88  16.582  33.486 -23.007
  697    HZ1  LYS  88           HZ1      LYS  88  15.686  31.077 -22.753
  698    HZ2  LYS  88           HZ2      LYS  88  14.211  31.755 -23.015
  699    HZ3  LYS  88           HZ3      LYS  88  15.383  31.925 -24.122
  700    H    ASP  89           H        ASP  89  12.692  35.083 -17.185
  701    HA   ASP  89           HA       ASP  89  11.034  36.298 -16.449
  702    HB2  ASP  89           HB2      ASP  89  12.867  37.900 -16.054
  703    HB3  ASP  89           HB3      ASP  89  12.502  38.688 -17.588
  704    H    ASP  90           H        ASP  90  11.530  36.620 -19.880
  705    HA   ASP  90           HA       ASP  90   8.659  37.311 -20.301
  706    HB2  ASP  90           HB2      ASP  90  10.226  39.263 -20.460
  707    HB3  ASP  90           HB3      ASP  90  11.096  38.411 -21.738
  708    H    ASP  91           H        ASP  91  10.195  34.739 -20.395
  709    HA   ASP  91           HA       ASP  91   9.286  33.780 -23.020
  710    HB2  ASP  91           HB2      ASP  91  11.669  34.330 -23.407
  711    HB3  ASP  91           HB3      ASP  91  12.110  33.369 -21.991
  712    H    VAL  92           H        VAL  92   9.240  31.325 -22.968
  713    HA   VAL  92           HA       VAL  92   8.695  30.343 -20.222
  714    HB   VAL  92           HB       VAL  92   6.728  31.378 -21.277
  715   HG11  VAL  92          HG11      VAL  92   5.553  30.358 -23.155
  716   HG12  VAL  92          HG12      VAL  92   7.154  30.905 -23.660
  717   HG13  VAL  92          HG13      VAL  92   6.858  29.176 -23.372
  718   HG21  VAL  92          HG21      VAL  92   6.361  28.380 -20.967
  719   HG22  VAL  92          HG22      VAL  92   6.426  29.569 -19.647
  720   HG23  VAL  92          HG23      VAL  92   5.116  29.636 -20.830
  721    H    TYR  93           H        TYR  93   8.709  28.171 -19.955
  722    HA   TYR  93           HA       TYR  93   9.806  26.362 -22.045
  723    HB2  TYR  93           HB2      TYR  93  10.628  26.556 -19.112
  724    HB3  TYR  93           HB3      TYR  93  11.233  25.382 -20.263
  725    HD1  TYR  93           HD1      TYR  93  12.196  26.626 -22.565
  726    HD2  TYR  93           HD2      TYR  93  12.206  28.178 -18.536
  727    HE1  TYR  93           HE1      TYR  93  14.211  27.966 -23.089
  728    HE2  TYR  93           HE2      TYR  93  14.236  29.497 -19.044
  729    HH   TYR  93           HH       TYR  93  15.919  29.905 -20.599
  730    H    THR  94           H        THR  94   9.731  24.061 -20.820
  731    HA   THR  94           HA       THR  94   7.198  23.759 -19.274
  732    HB   THR  94           HB       THR  94   7.988  21.708 -21.353
  733    HG1  THR  94           HG1      THR  94   7.562  23.636 -22.456
  734   HG21  THR  94          HG21      THR  94   6.403  21.021 -19.573
  735   HG22  THR  94          HG22      THR  94   5.322  22.359 -20.022
  736   HG23  THR  94          HG23      THR  94   5.638  21.036 -21.168
  737    H    ALA  95           H        ALA  95   7.380  22.403 -17.594
  738    HA   ALA  95           HA       ALA  95   9.925  20.915 -17.138
  739    HB1  ALA  95           HB1      ALA  95   9.936  23.047 -15.843
  740    HB2  ALA  95           HB2      ALA  95   8.353  22.637 -15.152
  741    HB3  ALA  95           HB3      ALA  95   9.768  21.645 -14.764
  742    H    LYS  96           H        LYS  96   9.535  19.139 -15.530
  743    HA   LYS  96           HA       LYS  96   6.847  17.929 -15.877
  744    HB2  LYS  96           HB2      LYS  96   9.323  16.908 -14.400
  745    HB3  LYS  96           HB3      LYS  96   7.736  16.156 -14.389
  746    HG2  LYS  96           HG2      LYS  96   8.905  14.905 -15.933
  747    HG3  LYS  96           HG3      LYS  96   7.810  15.907 -16.864
  748    HD2  LYS  96           HD2      LYS  96   9.961  15.721 -17.974
  749    HD3  LYS  96           HD3      LYS  96   9.732  17.398 -17.473
  750    HE2  LYS  96           HE2      LYS  96  11.176  16.991 -15.479
  751    HE3  LYS  96           HE3      LYS  96  11.332  15.293 -15.931
  752    HZ1  LYS  96           HZ1      LYS  96  12.530  15.966 -17.903
  753    HZ2  LYS  96           HZ2      LYS  96  12.327  17.556 -17.567
  754    HZ3  LYS  96           HZ3      LYS  96  13.238  16.625 -16.588
  755    H    LEU  97           H        LEU  97   5.400  17.865 -14.129
  756    HA   LEU  97           HA       LEU  97   5.676  19.780 -11.981
  757    HB2  LEU  97           HB2      LEU  97   3.473  18.847 -12.859
  758    HB3  LEU  97           HB3      LEU  97   3.892  17.316 -12.081
  759    HG   LEU  97           HG       LEU  97   3.972  18.523  -9.855
  760   HD11  LEU  97          HD11      LEU  97   2.827  20.761  -9.746
  761   HD12  LEU  97          HD12      LEU  97   4.372  20.837 -10.586
  762   HD13  LEU  97          HD13      LEU  97   2.854  20.834 -11.513
  763   HD21  LEU  97          HD21      LEU  97   1.983  17.272 -10.578
  764   HD22  LEU  97          HD22      LEU  97   1.534  18.687  -9.620
  765   HD23  LEU  97          HD23      LEU  97   1.352  18.727 -11.388
  766    H    SER  98           H        SER  98   6.500  16.398 -12.519
  767    HA   SER  98           HA       SER  98   7.286  15.504  -9.996
  768    HB2  SER  98           HB2      SER  98   8.468  14.928 -12.751
  769    HB3  SER  98           HB3      SER  98   8.554  13.874 -11.343
  770    HG   SER  98           HG       SER  98   6.631  13.884 -13.136
  771    H    ASP  99           H        ASP  99   8.788  17.991 -11.928
  772    HA   ASP  99           HA       ASP  99  11.335  17.827 -10.371
  773    HB2  ASP  99           HB2      ASP  99  10.698  18.809 -13.179
  774    HB3  ASP  99           HB3      ASP  99  12.110  19.376 -12.314
  775    H    ILE 100           H        ILE 100   8.442  19.272 -10.083
  776    HA   ILE 100           HA       ILE 100   9.548  21.995  -9.562
  777    HB   ILE 100           HB       ILE 100   6.993  21.007 -10.742
  778   HG12  ILE 100          HG12      ILE 100   9.070  22.012 -11.908
  779   HG13  ILE 100          HG13      ILE 100   7.460  22.508 -12.428
  780   HG21  ILE 100          HG21      ILE 100   6.012  22.202  -8.902
  781   HG22  ILE 100          HG22      ILE 100   7.058  23.610  -9.178
  782   HG23  ILE 100          HG23      ILE 100   5.827  23.153 -10.377
  783   HD11  ILE 100          HD11      ILE 100   9.203  24.144 -10.555
  784   HD12  ILE 100          HD12      ILE 100   9.130  24.346 -12.316
  785   HD13  ILE 100          HD13      ILE 100   7.688  24.651 -11.335
  786    H    GLU 101           H        GLU 101   9.142  22.962  -7.750
  787    HA   GLU 101           HA       GLU 101   7.679  21.546  -5.567
  788    HB2  GLU 101           HB2      GLU 101  10.147  21.274  -5.350
  789    HB3  GLU 101           HB3      GLU 101  10.334  23.031  -5.322
  790    HG2  GLU 101           HG2      GLU 101   8.913  23.137  -3.276
  791    HG3  GLU 101           HG3      GLU 101   8.712  21.383  -3.327
  792    H    ALA 102           H        ALA 102   5.862  22.794  -5.491
  793    HA   ALA 102           HA       ALA 102   5.790  25.508  -6.413
  794    HB1  ALA 102           HB1      ALA 102   3.764  23.960  -4.735
  795    HB2  ALA 102           HB2      ALA 102   3.481  25.477  -5.606
  796    HB3  ALA 102           HB3      ALA 102   3.837  24.016  -6.519
  797    H    ILE 103           H        ILE 103   5.505  27.415  -5.293
  798    HA   ILE 103           HA       ILE 103   6.252  27.434  -2.399
  799    HB   ILE 103           HB       ILE 103   6.957  29.333  -4.664
  800   HG12  ILE 103          HG12      ILE 103   8.829  27.678  -2.906
  801   HG13  ILE 103          HG13      ILE 103   8.299  27.158  -4.495
  802   HG21  ILE 103          HG21      ILE 103   8.245  30.633  -3.019
  803   HG22  ILE 103          HG22      ILE 103   6.550  30.602  -2.574
  804   HG23  ILE 103          HG23      ILE 103   7.701  29.551  -1.717
  805   HD11  ILE 103          HD11      ILE 103  10.464  28.125  -4.747
  806   HD12  ILE 103          HD12      ILE 103   9.299  29.228  -5.499
  807   HD13  ILE 103          HD13      ILE 103  10.000  29.604  -3.906
  808    H    ASP 104           H        ASP 104   4.926  28.465  -1.073
  809    HA   ASP 104           HA       ASP 104   3.072  29.404  -0.239
  810    HB2  ASP 104           HB2      ASP 104   4.585  31.283  -0.708
  811    HB3  ASP 104           HB3      ASP 104   3.780  31.545  -2.257
  812    H    VAL 105           H        VAL 105   2.243  27.444  -1.937
  813    HA   VAL 105           HA       VAL 105  -0.085  28.550  -3.429
  814    HB   VAL 105           HB       VAL 105  -0.408  26.231  -4.176
  815   HG11  VAL 105          HG11      VAL 105   1.359  26.243  -5.817
  816   HG12  VAL 105          HG12      VAL 105   0.754  27.874  -5.516
  817   HG13  VAL 105          HG13      VAL 105   2.316  27.378  -4.832
  818   HG21  VAL 105          HG21      VAL 105   2.291  25.575  -2.907
  819   HG22  VAL 105          HG22      VAL 105   0.705  25.020  -2.326
  820   HG23  VAL 105          HG23      VAL 105   1.285  24.511  -3.909
  821    H    ASP 106           H        ASP 106  -2.097  27.053  -3.150
  822    HA   ASP 106           HA       ASP 106  -2.937  27.149  -0.371
  823    HB2  ASP 106           HB2      ASP 106  -4.438  27.490  -2.436
  824    HB3  ASP 106           HB3      ASP 106  -4.310  25.732  -2.662
  825    H    ASP 107           H        ASP 107  -3.973  25.181   0.522
  826    HA   ASP 107           HA       ASP 107  -2.060  23.017   0.957
  827    HB2  ASP 107           HB2      ASP 107  -3.557  23.792   2.738
  828    HB3  ASP 107           HB3      ASP 107  -4.970  23.403   1.754
  829    H    ASP 108           H        ASP 108  -5.076  23.443  -1.002
  830    HA   ASP 108           HA       ASP 108  -5.213  20.643  -1.604
  831    HB2  ASP 108           HB2      ASP 108  -7.033  22.496  -1.693
  832    HB3  ASP 108           HB3      ASP 108  -6.407  22.845  -3.307
  833    H    THR 109           H        THR 109  -3.493  23.357  -3.078
  834    HA   THR 109           HA       THR 109  -2.788  22.000  -5.590
  835    HB   THR 109           HB       THR 109  -1.715  24.449  -4.122
  836    HG1  THR 109           HG1      THR 109  -3.925  24.473  -4.902
  837   HG21  THR 109          HG21      THR 109  -1.285  23.694  -7.040
  838   HG22  THR 109          HG22      THR 109  -0.788  25.191  -6.265
  839   HG23  THR 109          HG23      THR 109  -0.023  23.672  -5.783
  840    H    GLN 110           H        GLN 110  -1.205  22.745  -2.401
  841    HA   GLN 110           HA       GLN 110   1.188  21.389  -3.066
  842    HB2  GLN 110           HB2      GLN 110   0.900  23.113  -1.291
  843    HB3  GLN 110           HB3      GLN 110  -0.009  21.956  -0.323
  844    HG2  GLN 110           HG2      GLN 110   2.341  22.236   0.361
  845    HG3  GLN 110           HG3      GLN 110   1.950  20.562  -0.065
  846   HE21  GLN 110          HE22      GLN 110   2.863  19.663  -2.046
  847   HE22  GLN 110          HE21      GLN 110   4.293  20.397  -2.756
  848    H    GLU 111           H        GLU 111  -1.854  20.212  -1.581
  849    HA   GLU 111           HA       GLU 111  -0.949  17.584  -0.982
  850    HB2  GLU 111           HB2      GLU 111  -3.625  18.916  -1.454
  851    HB3  GLU 111           HB3      GLU 111  -3.569  17.167  -1.529
  852    HG2  GLU 111           HG2      GLU 111  -2.489  18.767   0.819
  853    HG3  GLU 111           HG3      GLU 111  -4.121  18.085   0.737
  854    H    ALA 112           H        ALA 112  -2.452  18.945  -3.968
  855    HA   ALA 112           HA       ALA 112  -2.576  16.450  -5.347
  856    HB1  ALA 112           HB1      ALA 112  -3.771  18.421  -6.112
  857    HB2  ALA 112           HB2      ALA 112  -2.249  19.294  -6.393
  858    HB3  ALA 112           HB3      ALA 112  -2.660  17.883  -7.388
  859    H    ILE 113           H        ILE 113   0.011  18.913  -5.131
  860    HA   ILE 113           HA       ILE 113   1.855  17.624  -6.894
  861    HB   ILE 113           HB       ILE 113   2.164  19.603  -4.618
  862   HG12  ILE 113          HG12      ILE 113   2.514  20.101  -7.593
  863   HG13  ILE 113          HG13      ILE 113   0.919  20.155  -6.856
  864   HG21  ILE 113          HG21      ILE 113   4.297  18.654  -6.581
  865   HG22  ILE 113          HG22      ILE 113   4.461  20.079  -5.534
  866   HG23  ILE 113          HG23      ILE 113   4.315  18.481  -4.813
  867   HD11  ILE 113          HD11      ILE 113   1.826  22.393  -6.972
  868   HD12  ILE 113          HD12      ILE 113   1.642  21.896  -5.281
  869   HD13  ILE 113          HD13      ILE 113   3.252  21.893  -6.034
  870    H    ALA 114           H        ALA 114   1.574  17.521  -3.278
  871    HA   ALA 114           HA       ALA 114   3.802  15.831  -2.885
  872    HB1  ALA 114           HB1      ALA 114   1.291  16.175  -1.178
  873    HB2  ALA 114           HB2      ALA 114   2.830  15.466  -0.647
  874    HB3  ALA 114           HB3      ALA 114   2.759  17.177  -1.093
  875    H    ASP 115           H        ASP 115   0.312  15.092  -3.236
  876    HA   ASP 115           HA       ASP 115   0.473  12.295  -2.831
  877    HB2  ASP 115           HB2      ASP 115  -1.548  13.898  -2.867
  878    HB3  ASP 115           HB3      ASP 115  -1.556  13.677  -4.617
  879    H    TRP 116           H        TRP 116   0.860  14.293  -5.773
  880    HA   TRP 116           HA       TRP 116   1.073  12.089  -7.633
  881    HB2  TRP 116           HB2      TRP 116   0.557  14.241  -8.532
  882    HB3  TRP 116           HB3      TRP 116   1.898  15.011  -7.695
  883    HD1  TRP 116           HD1      TRP 116   4.032  15.353  -9.018
  884    HE1  TRP 116           HE1      TRP 116   5.108  14.368 -11.141
  885    HE3  TRP 116           HE3      TRP 116   0.549  11.769 -10.135
  886    HZ2  TRP 116           HZ2      TRP 116   4.481  12.388 -13.113
  887    HZ3  TRP 116           HZ3      TRP 116   0.791  10.374 -12.157
  888    HH2  TRP 116           HH2      TRP 116   2.763  10.686 -13.667
  889    H    LEU 117           H        LEU 117   3.455  14.011  -5.723
  890    HA   LEU 117           HA       LEU 117   5.740  12.721  -6.848
  891    HB2  LEU 117           HB2      LEU 117   5.322  14.222  -4.243
  892    HB3  LEU 117           HB3      LEU 117   6.887  13.591  -4.736
  893    HG   LEU 117           HG       LEU 117   5.288  15.536  -6.459
  894   HD11  LEU 117          HD11      LEU 117   6.769  17.292  -5.602
  895   HD12  LEU 117          HD12      LEU 117   5.822  16.568  -4.294
  896   HD13  LEU 117          HD13      LEU 117   7.534  16.130  -4.491
  897   HD21  LEU 117          HD21      LEU 117   7.481  15.962  -7.527
  898   HD22  LEU 117          HD22      LEU 117   8.200  14.661  -6.554
  899   HD23  LEU 117          HD23      LEU 117   6.938  14.299  -7.754
  900    H    TYR 118           H        TYR 118   3.624  11.804  -4.090
  901    HA   TYR 118           HA       TYR 118   5.353   9.615  -3.314
  902    HB2  TYR 118           HB2      TYR 118   2.381   9.961  -2.819
  903    HB3  TYR 118           HB3      TYR 118   3.463   8.879  -1.955
  904    HD1  TYR 118           HD2      TYR 118   5.847  10.738  -1.476
  905    HD2  TYR 118           HD1      TYR 118   1.596  11.400  -1.140
  906    HE1  TYR 118           HE2      TYR 118   6.266  12.534   0.143
  907    HE2  TYR 118           HE1      TYR 118   2.011  13.273   0.411
  908    HH   TYR 118           HH       TYR 118   5.319  14.196   1.485
  909    H    TRP 119           H        TRP 119   2.605   9.890  -5.607
  910    HA   TRP 119           HA       TRP 119   2.500   7.082  -6.264
  911    HB2  TRP 119           HB2      TRP 119   0.660   8.412  -6.827
  912    HB3  TRP 119           HB3      TRP 119   1.635   9.661  -7.569
  913    HD1  TRP 119           HD1      TRP 119   2.728   9.106  -9.986
  914    HE1  TRP 119           HE1      TRP 119   1.758   7.857 -11.974
  915    HE3  TRP 119           HE3      TRP 119  -0.985   6.557  -7.559
  916    HZ2  TRP 119           HZ2      TRP 119  -0.492   6.077 -12.474
  917    HZ3  TRP 119           HZ3      TRP 119  -2.634   5.227  -8.856
  918    HH2  TRP 119           HH2      TRP 119  -2.389   4.977 -11.313
  919    H    LEU 120           H        LEU 120   4.414   9.861  -7.590
  920    HA   LEU 120           HA       LEU 120   5.803   8.406  -9.585
  921    HB2  LEU 120           HB2      LEU 120   5.713  10.849  -9.464
  922    HB3  LEU 120           HB3      LEU 120   6.509  10.833  -7.898
  923    HG   LEU 120           HG       LEU 120   8.579   9.879  -8.984
  924   HD11  LEU 120          HD11      LEU 120   7.064  10.555 -11.541
  925   HD12  LEU 120          HD12      LEU 120   8.779  10.100 -11.441
  926   HD13  LEU 120          HD13      LEU 120   7.528   8.921 -11.021
  927   HD21  LEU 120          HD21      LEU 120   8.390  12.240  -8.439
  928   HD22  LEU 120          HD22      LEU 120   9.203  12.070 -10.001
  929   HD23  LEU 120          HD23      LEU 120   7.488  12.552  -9.934
  930    H    ALA 121           H        ALA 121   6.785   9.214  -6.209
  931    HA   ALA 121           HA       ALA 121   9.219   7.805  -6.221
  932    HB1  ALA 121           HB1      ALA 121   9.081   8.021  -3.765
  933    HB2  ALA 121           HB2      ALA 121   8.605   9.532  -4.563
  934    HB3  ALA 121           HB3      ALA 121   7.359   8.447  -3.894
  935    H    ARG 122           H        ARG 122   5.971   6.541  -6.033
  936    HA   ARG 122           HA       ARG 122   6.617   4.020  -4.798
  937    HB2  ARG 122           HB2      ARG 122   4.289   5.324  -5.721
  938    HB3  ARG 122           HB3      ARG 122   4.467   4.002  -6.856
  939    HG2  ARG 122           HG2      ARG 122   3.124   3.127  -5.121
  940    HG3  ARG 122           HG3      ARG 122   4.727   2.468  -4.782
  941    HD2  ARG 122           HD2      ARG 122   3.855   3.286  -2.683
  942    HD3  ARG 122           HD3      ARG 122   5.096   4.423  -3.195
  943    HE   ARG 122           HE       ARG 122   3.527   6.071  -3.589
  944   HH11  ARG 122          HH21      ARG 122   1.862   3.002  -2.869
  945   HH12  ARG 122          HH22      ARG 122   0.286   3.732  -2.750
  946   HH21  ARG 122          HH11      ARG 122   1.374   7.031  -3.211
  947   HH22  ARG 122          HH12      ARG 122   0.062   5.971  -2.750
  948    H    GLY 123           H        GLY 123   7.801   5.268  -7.718
  949    HA2  GLY 123           HA2      GLY 123   8.902   4.249  -9.473
  950    HA3  GLY 123           HA3      GLY 123   8.580   2.642  -8.773
  951    H    TYR 124           H        TYR 124   6.309   5.297  -9.407
  952    HA   TYR 124           HA       TYR 124   4.245   5.393 -10.032
  953    HB2  TYR 124           HB2      TYR 124   5.649   4.137 -12.353
  954    HB3  TYR 124           HB3      TYR 124   3.937   4.505 -12.496
  955    HD1  TYR 124           HD2      TYR 124   4.085   7.202 -10.866
  956    HD2  TYR 124           HD1      TYR 124   6.320   5.551 -14.161
  957    HE1  TYR 124           HE2      TYR 124   4.532   9.483 -11.684
  958    HE2  TYR 124           HE1      TYR 124   6.734   7.837 -15.022
  959    HH   TYR 124           HH       TYR 124   6.397  10.119 -14.687
  960    H    LYS 125           H        LYS 125   2.226   4.553 -10.681
  961    HA   LYS 125           HA       LYS 125   1.859   1.636 -10.198
  962    HB2  LYS 125           HB2      LYS 125  -0.023   3.850  -9.376
  963    HB3  LYS 125           HB3      LYS 125  -0.248   2.129  -9.092
  964    HG2  LYS 125           HG2      LYS 125   1.797   2.192  -7.581
  965    HG3  LYS 125           HG3      LYS 125   1.842   3.946  -7.820
  966    HD2  LYS 125           HD2      LYS 125   0.706   3.613  -5.753
  967    HD3  LYS 125           HD3      LYS 125  -0.532   4.058  -6.931
  968    HE2  LYS 125           HE2      LYS 125  -0.971   1.544  -7.234
  969    HE3  LYS 125           HE3      LYS 125   0.118   1.267  -5.873
  970    HZ1  LYS 125           HZ1      LYS 125  -2.162   1.321  -5.148
  971    HZ2  LYS 125           HZ2      LYS 125  -1.421   2.619  -4.493
  972    HZ3  LYS 125           HZ3      LYS 125  -2.419   2.798  -5.782
  973    H    PHE 126           H        PHE 126   1.749   4.032 -12.460
  974    HA   PHE 126           HA       PHE 126  -0.576   3.802 -13.950
  975    HB2  PHE 126           HB2      PHE 126   2.346   3.945 -14.757
  976    HB3  PHE 126           HB3      PHE 126   1.054   3.963 -15.943
  977    HD1  PHE 126           HD2      PHE 126  -0.974   5.711 -15.177
  978    HD2  PHE 126           HD1      PHE 126   3.254   6.098 -14.451
  979    HE1  PHE 126           HE2      PHE 126  -1.246   8.152 -14.863
  980    HE2  PHE 126           HE1      PHE 126   2.995   8.546 -14.258
  981    HZ   PHE 126           HZ       PHE 126   0.733   9.589 -14.448
  Start of MODEL   11
    1    H1   MET   1           H1       MET   1   9.090  -1.568  -5.305
    2    H2   MET   1           H2       MET   1   8.052  -2.678  -4.710
    3    H3   MET   1           H3       MET   1   8.015  -2.293  -6.306
    4    HA   MET   1           HA       MET   1   7.322  -0.054  -5.805
    5    HB2  MET   1           HB2      MET   1   5.626  -1.916  -6.165
    6    HB3  MET   1           HB3      MET   1   5.475  -2.040  -4.406
    7    HG2  MET   1           HG2      MET   1   4.843   0.393  -4.355
    8    HG3  MET   1           HG3      MET   1   4.925   0.419  -6.117
    9    HE1  MET   1           HE1      MET   1   1.813  -1.600  -7.236
   10    HE2  MET   1           HE2      MET   1   3.158  -0.547  -7.725
   11    HE3  MET   1           HE3      MET   1   3.482  -2.195  -7.136
   12    H    ALA   2           H        ALA   2   7.296   1.617  -4.346
   13    HA   ALA   2           HA       ALA   2   8.540   1.280  -1.763
   14    HB1  ALA   2           HB1      ALA   2   6.979   3.678  -2.814
   15    HB2  ALA   2           HB2      ALA   2   8.205   3.673  -1.541
   16    HB3  ALA   2           HB3      ALA   2   8.683   3.348  -3.213
   17    H    SER   3           H        SER   3   7.496   2.238   0.226
   18    HA   SER   3           HA       SER   3   4.600   1.593   0.519
   19    HB2  SER   3           HB2      SER   3   6.803   1.127   2.567
   20    HB3  SER   3           HB3      SER   3   5.084   0.726   2.739
   21    HG   SER   3           HG       SER   3   6.364  -1.085   2.142
   22    H    VAL   4           H        VAL   4   5.588   4.052  -0.288
   23    HA   VAL   4           HA       VAL   4   6.321   5.843   1.813
   24    HB   VAL   4           HB       VAL   4   7.096   5.984  -0.485
   25   HG11  VAL   4          HG11      VAL   4   4.256   6.707  -1.291
   26   HG12  VAL   4          HG12      VAL   4   5.697   6.778  -2.332
   27   HG13  VAL   4          HG13      VAL   4   5.123   5.225  -1.731
   28   HG21  VAL   4          HG21      VAL   4   7.060   8.065   0.856
   29   HG22  VAL   4          HG22      VAL   4   6.957   8.341  -0.891
   30   HG23  VAL   4          HG23      VAL   4   5.503   8.493   0.113
   31    H    GLU   5           H        GLU   5   3.219   4.644   0.851
   32    HA   GLU   5           HA       GLU   5   1.526   6.794   1.086
   33    HB2  GLU   5           HB2      GLU   5   0.959   4.002   2.193
   34    HB3  GLU   5           HB3      GLU   5  -0.222   5.241   1.791
   35    HG2  GLU   5           HG2      GLU   5  -0.388   4.007  -0.096
   36    HG3  GLU   5           HG3      GLU   5   0.873   5.125  -0.607
   37    H    ARG   6           H        ARG   6   0.638   8.043   2.668
   38    HA   ARG   6           HA       ARG   6   1.592   8.128   5.362
   39    HB2  ARG   6           HB2      ARG   6  -1.084   9.081   4.221
   40    HB3  ARG   6           HB3      ARG   6  -0.415   9.532   5.787
   41    HG2  ARG   6           HG2      ARG   6   1.465  10.687   4.700
   42    HG3  ARG   6           HG3      ARG   6   0.869  10.201   3.100
   43    HD2  ARG   6           HD2      ARG   6  -1.255  11.433   3.518
   44    HD3  ARG   6           HD3      ARG   6  -0.631  11.952   5.094
   45    HE   ARG   6           HE       ARG   6   1.307  12.683   3.198
   46   HH11  ARG   6          HH21      ARG   6  -2.055  13.632   3.952
   47   HH12  ARG   6          HH22      ARG   6  -1.882  15.206   3.219
   48   HH21  ARG   6          HH11      ARG   6   1.495  14.722   2.304
   49   HH22  ARG   6          HH12      ARG   6   0.177  15.881   2.397
   50    H    ASP   7           H        ASP   7  -1.235   6.598   3.826
   51    HA   ASP   7           HA       ASP   7  -1.665   4.524   5.746
   52    HB2  ASP   7           HB2      ASP   7  -2.570   6.407   7.089
   53    HB3  ASP   7           HB3      ASP   7  -3.491   6.981   5.701
   54    H    GLU   8           H        GLU   8  -3.685   3.293   4.907
   55    HA   GLU   8           HA       GLU   8  -3.817   3.117   2.098
   56    HB2  GLU   8           HB2      GLU   8  -5.712   1.656   2.428
   57    HB3  GLU   8           HB3      GLU   8  -4.441   1.296   3.595
   58    HG2  GLU   8           HG2      GLU   8  -5.695   2.531   5.349
   59    HG3  GLU   8           HG3      GLU   8  -6.963   2.915   4.182
   60    H    THR   9           H        THR   9  -5.404   5.409   4.204
   61    HA   THR   9           HA       THR   9  -7.482   6.435   2.717
   62    HB   THR   9           HB       THR   9  -5.209   7.791   4.190
   63    HG1  THR   9           HG1      THR   9  -6.382   6.517   5.496
   64   HG21  THR   9          HG21      THR   9  -7.824   9.063   3.296
   65   HG22  THR   9          HG22      THR   9  -6.704   9.749   4.505
   66   HG23  THR   9          HG23      THR   9  -6.171   9.548   2.839
   67    H    ARG  10           H        ARG  10  -3.960   6.754   1.923
   68    HA   ARG  10           HA       ARG  10  -4.319   8.652  -0.205
   69    HB2  ARG  10           HB2      ARG  10  -2.191   6.497   0.213
   70    HB3  ARG  10           HB3      ARG  10  -2.105   7.758  -1.008
   71    HG2  ARG  10           HG2      ARG  10  -2.126   8.255   2.009
   72    HG3  ARG  10           HG3      ARG  10  -0.708   8.194   0.969
   73    HD2  ARG  10           HD2      ARG  10  -1.058  10.471   1.150
   74    HD3  ARG  10           HD3      ARG  10  -1.781  10.071  -0.401
   75    HE   ARG  10           HE       ARG  10  -3.388  10.319   2.119
   76   HH11  ARG  10          HH21      ARG  10  -2.876  11.355  -1.274
   77   HH12  ARG  10          HH22      ARG  10  -4.295  12.348  -1.290
   78   HH21  ARG  10          HH11      ARG  10  -5.199  11.729   2.075
   79   HH22  ARG  10          HH12      ARG  10  -5.611  12.577   0.639
   80    H    GLU  11           H        GLU  11  -4.059   5.078  -0.248
   81    HA   GLU  11           HA       GLU  11  -4.464   4.774  -3.013
   82    HB2  GLU  11           HB2      GLU  11  -5.295   2.819  -0.815
   83    HB3  GLU  11           HB3      GLU  11  -4.982   2.438  -2.506
   84    HG2  GLU  11           HG2      GLU  11  -2.939   3.383  -0.450
   85    HG3  GLU  11           HG3      GLU  11  -3.106   1.759  -1.106
   86    H    HIS  12           H        HIS  12  -6.815   4.817  -0.319
   87    HA   HIS  12           HA       HIS  12  -9.123   4.220  -1.823
   88    HB2  HIS  12           HB2      HIS  12  -8.952   4.142   0.631
   89    HB3  HIS  12           HB3      HIS  12  -8.750   5.890   0.697
   90    HD1  HIS  12           HD1      HIS  12 -11.545   4.204  -1.411
   91    HD2  HIS  12           HD2      HIS  12 -10.888   6.377   2.138
   92    HE1  HIS  12           HE1      HIS  12 -13.842   4.827  -0.520
   93    H    ARG  13           H        ARG  13  -7.675   7.464  -1.029
   94    HA   ARG  13           HA       ARG  13  -9.717   8.897  -2.493
   95    HB2  ARG  13           HB2      ARG  13  -6.905   9.708  -1.654
   96    HB3  ARG  13           HB3      ARG  13  -8.072  10.798  -2.389
   97    HG2  ARG  13           HG2      ARG  13  -8.408   9.440   0.326
   98    HG3  ARG  13           HG3      ARG  13  -7.904  11.091   0.029
   99    HD2  ARG  13           HD2      ARG  13 -10.104  11.427   0.536
  100    HD3  ARG  13           HD3      ARG  13 -10.186  11.345  -1.219
  101    HE   ARG  13           HE       ARG  13 -10.830   9.109   0.681
  102   HH11  ARG  13          HH21      ARG  13 -11.788  10.926  -2.265
  103   HH12  ARG  13          HH22      ARG  13 -12.756   9.606  -2.853
  104   HH21  ARG  13          HH11      ARG  13 -12.386   7.524  -0.062
  105   HH22  ARG  13          HH12      ARG  13 -12.997   7.697  -1.668
  106    H    ILE  14           H        ILE  14  -6.436   7.712  -3.455
  107    HA   ILE  14           HA       ILE  14  -6.465   8.855  -6.035
  108    HB   ILE  14           HB       ILE  14  -5.192   6.341  -4.905
  109   HG12  ILE  14          HG12      ILE  14  -3.886   8.931  -5.839
  110   HG13  ILE  14          HG13      ILE  14  -4.456   8.720  -4.193
  111   HG21  ILE  14          HG21      ILE  14  -5.448   5.903  -7.292
  112   HG22  ILE  14          HG22      ILE  14  -4.766   7.499  -7.697
  113   HG23  ILE  14          HG23      ILE  14  -3.765   6.237  -6.949
  114   HD11  ILE  14          HD11      ILE  14  -2.942   6.727  -3.953
  115   HD12  ILE  14          HD12      ILE  14  -2.265   7.108  -5.558
  116   HD13  ILE  14          HD13      ILE  14  -2.101   8.264  -4.232
  117    H    GLU  15           H        GLU  15  -7.569   5.606  -5.008
  118    HA   GLU  15           HA       GLU  15  -8.439   4.747  -7.514
  119    HB2  GLU  15           HB2      GLU  15  -7.984   3.261  -5.648
  120    HB3  GLU  15           HB3      GLU  15  -9.290   3.971  -4.685
  121    HG2  GLU  15           HG2      GLU  15 -10.974   3.086  -6.184
  122    HG3  GLU  15           HG3      GLU  15  -9.738   2.509  -7.313
  123    H    THR  16           H        THR  16 -10.317   6.520  -5.000
  124    HA   THR  16           HA       THR  16 -12.722   6.231  -6.714
  125    HB   THR  16           HB       THR  16 -13.997   6.771  -4.725
  126    HG1  THR  16           HG1      THR  16 -11.504   6.763  -3.353
  127   HG21  THR  16          HG21      THR  16 -13.573   4.749  -3.452
  128   HG22  THR  16          HG22      THR  16 -13.387   4.410  -5.181
  129   HG23  THR  16          HG23      THR  16 -11.948   4.586  -4.154
  130    H    GLU  17           H        GLU  17 -10.394   8.631  -6.248
  131    HA   GLU  17           HA       GLU  17 -12.347  10.747  -7.022
  132    HB2  GLU  17           HB2      GLU  17 -11.266  10.537  -4.569
  133    HB3  GLU  17           HB3      GLU  17  -9.951  11.418  -5.345
  134    HG2  GLU  17           HG2      GLU  17 -11.615  13.166  -6.044
  135    HG3  GLU  17           HG3      GLU  17 -12.873  12.269  -5.191
  136    H    ILE  18           H        ILE  18  -9.218   9.281  -7.728
  137    HA   ILE  18           HA       ILE  18  -8.540  11.622  -9.462
  138    HB   ILE  18           HB       ILE  18  -6.657   9.589  -8.219
  139   HG12  ILE  18          HG12      ILE  18  -7.469  12.389  -7.343
  140   HG13  ILE  18          HG13      ILE  18  -7.617  10.899  -6.426
  141   HG21  ILE  18          HG21      ILE  18  -6.062  12.217  -9.629
  142   HG22  ILE  18          HG22      ILE  18  -4.883  11.059  -8.976
  143   HG23  ILE  18          HG23      ILE  18  -5.865  10.613 -10.358
  144   HD11  ILE  18          HD11      ILE  18  -5.054  12.391  -7.061
  145   HD12  ILE  18          HD12      ILE  18  -5.816  12.130  -5.486
  146   HD13  ILE  18          HD13      ILE  18  -5.100  10.760  -6.356
  147    H    ILE  19           H        ILE  19  -8.277   8.001  -9.334
  148    HA   ILE  19           HA       ILE  19  -8.304   8.012 -12.321
  149    HB   ILE  19           HB       ILE  19  -7.104   5.909 -12.180
  150   HG12  ILE  19          HG12      ILE  19  -6.706   6.608  -9.238
  151   HG13  ILE  19          HG13      ILE  19  -7.812   5.347  -9.820
  152   HG21  ILE  19          HG21      ILE  19  -6.046   8.146 -12.581
  153   HG22  ILE  19          HG22      ILE  19  -5.652   8.234 -10.849
  154   HG23  ILE  19          HG23      ILE  19  -4.955   6.963 -11.871
  155   HD11  ILE  19          HD11      ILE  19  -4.807   5.464 -10.155
  156   HD12  ILE  19          HD12      ILE  19  -5.774   4.312  -9.185
  157   HD13  ILE  19          HD13      ILE  19  -5.871   4.285 -10.972
  158    H    VAL  20           H        VAL  20 -10.561   7.774 -10.113
  159    HA   VAL  20           HA       VAL  20 -11.820   5.331 -10.353
  160    HB   VAL  20           HB       VAL  20 -12.351   7.208  -8.850
  161   HG11  VAL  20          HG11      VAL  20 -12.421   9.095 -10.435
  162   HG12  VAL  20          HG12      VAL  20 -13.935   8.454 -11.114
  163   HG13  VAL  20          HG13      VAL  20 -13.868   8.992  -9.429
  164   HG21  VAL  20          HG21      VAL  20 -13.877   5.291  -9.042
  165   HG22  VAL  20          HG22      VAL  20 -14.735   6.789  -8.643
  166   HG23  VAL  20          HG23      VAL  20 -14.799   6.148 -10.298
  167    H    ASP  21           H        ASP  21 -11.834   7.979 -12.744
  168    HA   ASP  21           HA       ASP  21 -13.852   6.695 -14.429
  169    HB2  ASP  21           HB2      ASP  21 -13.668   9.148 -14.178
  170    HB3  ASP  21           HB3      ASP  21 -12.046   9.103 -14.870
  171    H    ALA  22           H        ALA  22 -10.492   6.231 -13.986
  172    HA   ALA  22           HA       ALA  22  -9.801   5.888 -16.830
  173    HB1  ALA  22           HB1      ALA  22  -8.141   5.466 -14.301
  174    HB2  ALA  22           HB2      ALA  22  -7.549   5.519 -15.961
  175    HB3  ALA  22           HB3      ALA  22  -8.223   6.988 -15.222
  176    H    GLU  23           H        GLU  23  -8.578   3.891 -17.455
  177    HA   GLU  23           HA       GLU  23  -8.969   1.513 -15.799
  178    HB2  GLU  23           HB2      GLU  23 -11.003   1.611 -17.269
  179    HB3  GLU  23           HB3      GLU  23  -9.950   1.536 -18.687
  180    HG2  GLU  23           HG2      GLU  23  -9.090  -0.661 -17.953
  181    HG3  GLU  23           HG3      GLU  23 -10.056  -0.564 -16.479
  182    H    ASP  24           H        ASP  24  -7.591   3.039 -18.781
  183    HA   ASP  24           HA       ASP  24  -5.326   1.089 -18.645
  184    HB2  ASP  24           HB2      ASP  24  -6.908   1.316 -20.700
  185    HB3  ASP  24           HB3      ASP  24  -6.035   2.820 -21.014
  186    H    LYS  25           H        LYS  25  -3.239   2.221 -19.723
  187    HA   LYS  25           HA       LYS  25  -2.254   3.834 -17.587
  188    HB2  LYS  25           HB2      LYS  25  -1.088   3.676 -20.406
  189    HB3  LYS  25           HB3      LYS  25  -0.225   4.062 -18.922
  190    HG2  LYS  25           HG2      LYS  25  -1.465   1.387 -19.640
  191    HG3  LYS  25           HG3      LYS  25   0.241   1.817 -19.776
  192    HD2  LYS  25           HD2      LYS  25   0.465   2.089 -17.380
  193    HD3  LYS  25           HD3      LYS  25  -1.283   1.906 -17.132
  194    HE2  LYS  25           HE2      LYS  25  -1.190  -0.422 -17.872
  195    HE3  LYS  25           HE3      LYS  25   0.557  -0.286 -18.149
  196    HZ1  LYS  25           HZ1      LYS  25  -0.696   0.249 -15.515
  197    HZ2  LYS  25           HZ2      LYS  25  -0.058  -1.229 -15.933
  198    HZ3  LYS  25           HZ3      LYS  25   0.872   0.131 -15.824
  199    H    GLU  26           H        GLU  26  -3.410   4.685 -20.814
  200    HA   GLU  26           HA       GLU  26  -2.361   7.329 -20.722
  201    HB2  GLU  26           HB2      GLU  26  -4.554   6.080 -22.451
  202    HB3  GLU  26           HB3      GLU  26  -3.857   7.679 -22.733
  203    HG2  GLU  26           HG2      GLU  26  -1.595   6.629 -22.966
  204    HG3  GLU  26           HG3      GLU  26  -2.318   5.034 -22.762
  205    H    GLU  27           H        GLU  27  -5.498   5.817 -19.989
  206    HA   GLU  27           HA       GLU  27  -6.929   8.251 -19.390
  207    HB2  GLU  27           HB2      GLU  27  -7.460   5.400 -18.482
  208    HB3  GLU  27           HB3      GLU  27  -8.604   6.747 -18.447
  209    HG2  GLU  27           HG2      GLU  27  -8.637   6.881 -20.872
  210    HG3  GLU  27           HG3      GLU  27  -7.402   5.615 -21.009
  211    H    ARG  28           H        ARG  28  -5.027   5.877 -17.473
  212    HA   ARG  28           HA       ARG  28  -5.665   6.957 -14.892
  213    HB2  ARG  28           HB2      ARG  28  -3.234   5.435 -15.913
  214    HB3  ARG  28           HB3      ARG  28  -3.481   5.840 -14.214
  215    HG2  ARG  28           HG2      ARG  28  -5.415   4.436 -14.030
  216    HG3  ARG  28           HG3      ARG  28  -5.555   4.250 -15.771
  217    HD2  ARG  28           HD2      ARG  28  -3.261   3.091 -15.715
  218    HD3  ARG  28           HD3      ARG  28  -3.445   3.056 -13.954
  219    HE   ARG  28           HE       ARG  28  -5.594   1.923 -15.678
  220   HH11  ARG  28          HH11      ARG  28  -2.707   1.070 -13.802
  221   HH12  ARG  28          HH12      ARG  28  -3.364  -0.431 -13.234
  222   HH21  ARG  28          HH21      ARG  28  -6.233  -0.170 -15.311
  223   HH22  ARG  28          HH22      ARG  28  -5.390  -1.212 -14.203
  224    H    ALA  29           H        ALA  29  -2.994   7.726 -17.205
  225    HA   ALA  29           HA       ALA  29  -1.850   9.808 -15.663
  226    HB1  ALA  29           HB1      ALA  29  -0.884  10.553 -17.794
  227    HB2  ALA  29           HB2      ALA  29  -0.801   8.779 -17.662
  228    HB3  ALA  29           HB3      ALA  29  -2.031   9.522 -18.693
  229    H    MET  30           H        MET  30  -4.575   9.869 -18.065
  230    HA   MET  30           HA       MET  30  -5.015  12.682 -17.841
  231    HB2  MET  30           HB2      MET  30  -6.875  10.441 -18.654
  232    HB3  MET  30           HB3      MET  30  -7.319  12.142 -18.681
  233    HG2  MET  30           HG2      MET  30  -5.006  10.939 -20.249
  234    HG3  MET  30           HG3      MET  30  -6.601  11.312 -20.875
  235    HE1  MET  30           HE1      MET  30  -3.047  14.111 -20.510
  236    HE2  MET  30           HE2      MET  30  -3.535  13.492 -18.936
  237    HE3  MET  30           HE3      MET  30  -3.108  12.359 -20.228
  238    H    GLY  31           H        GLY  31  -6.274   9.988 -15.839
  239    HA2  GLY  31           HA2      GLY  31  -8.110  11.488 -14.303
  240    HA3  GLY  31           HA3      GLY  31  -7.217  10.050 -13.764
  241    H    TRP  32           H        TRP  32  -4.610  10.804 -13.692
  242    HA   TRP  32           HA       TRP  32  -4.327  12.450 -11.397
  243    HB2  TRP  32           HB2      TRP  32  -2.373  11.516 -13.530
  244    HB3  TRP  32           HB3      TRP  32  -1.892  12.514 -12.174
  245    HD1  TRP  32           HD1      TRP  32  -2.378   8.931 -13.057
  246    HE1  TRP  32           HE1      TRP  32  -1.876   7.444 -11.054
  247    HE3  TRP  32           HE3      TRP  32  -2.330  12.540  -9.445
  248    HZ2  TRP  32           HZ2      TRP  32  -1.562   7.784  -8.172
  249    HZ3  TRP  32           HZ3      TRP  32  -1.882  11.940  -7.086
  250    HH2  TRP  32           HH2      TRP  32  -1.500   9.578  -6.438
  251    H    TYR  33           H        TYR  33  -3.910  13.250 -14.902
  252    HA   TYR  33           HA       TYR  33  -2.993  15.889 -14.519
  253    HB2  TYR  33           HB2      TYR  33  -2.655  14.846 -16.618
  254    HB3  TYR  33           HB3      TYR  33  -4.334  14.381 -16.753
  255    HD1  TYR  33           HD2      TYR  33  -2.437  17.630 -16.380
  256    HD2  TYR  33           HD1      TYR  33  -5.541  15.427 -18.396
  257    HE1  TYR  33           HE2      TYR  33  -2.960  19.626 -17.751
  258    HE2  TYR  33           HE1      TYR  33  -6.110  17.424 -19.727
  259    HH   TYR  33           HH       TYR  33  -5.603  19.657 -20.186
  260    H    TYR  34           H        TYR  34  -6.382  14.670 -15.012
  261    HA   TYR  34           HA       TYR  34  -7.546  17.273 -15.110
  262    HB2  TYR  34           HB2      TYR  34  -8.742  14.616 -14.222
  263    HB3  TYR  34           HB3      TYR  34  -9.651  16.062 -14.625
  264    HD1  TYR  34           HD2      TYR  34  -7.512  16.432 -17.202
  265    HD2  TYR  34           HD1      TYR  34 -10.281  13.454 -15.754
  266    HE1  TYR  34           HE2      TYR  34  -7.867  15.644 -19.511
  267    HE2  TYR  34           HE1      TYR  34 -10.622  12.642 -18.067
  268    HH   TYR  34           HH       TYR  34  -8.969  14.126 -20.895
  269    H    TYR  35           H        TYR  35  -6.960  14.956 -12.409
  270    HA   TYR  35           HA       TYR  35  -8.380  16.458 -10.462
  271    HB2  TYR  35           HB2      TYR  35  -7.644  14.049 -10.332
  272    HB3  TYR  35           HB3      TYR  35  -6.001  14.606 -10.034
  273    HD1  TYR  35           HD2      TYR  35  -9.515  14.738  -8.760
  274    HD2  TYR  35           HD1      TYR  35  -5.336  15.184  -7.782
  275    HE1  TYR  35           HE2      TYR  35 -10.092  14.835  -6.366
  276    HE2  TYR  35           HE1      TYR  35  -5.905  15.271  -5.372
  277    HH   TYR  35           HH       TYR  35  -9.297  14.849  -4.208
  278    H    LEU  36           H        LEU  36  -4.881  16.471 -11.369
  279    HA   LEU  36           HA       LEU  36  -4.144  18.410  -9.377
  280    HB2  LEU  36           HB2      LEU  36  -2.861  17.097 -11.752
  281    HB3  LEU  36           HB3      LEU  36  -2.226  18.662 -11.295
  282    HG   LEU  36           HG       LEU  36  -1.674  17.950  -9.068
  283   HD11  LEU  36          HD11      LEU  36  -2.948  15.261  -9.736
  284   HD12  LEU  36          HD12      LEU  36  -1.928  15.586  -8.315
  285   HD13  LEU  36          HD13      LEU  36  -3.476  16.412  -8.487
  286   HD21  LEU  36          HD21      LEU  36   0.048  16.304  -9.600
  287   HD22  LEU  36          HD22      LEU  36  -0.853  15.785 -11.042
  288   HD23  LEU  36          HD23      LEU  36  -0.134  17.406 -10.978
  289    H    ASP  37           H        ASP  37  -5.035  18.685 -12.876
  290    HA   ASP  37           HA       ASP  37  -4.650  21.475 -13.052
  291    HB2  ASP  37           HB2      ASP  37  -4.981  20.060 -15.017
  292    HB3  ASP  37           HB3      ASP  37  -6.610  19.639 -14.482
  293    H    ASP  38           H        ASP  38  -7.407  19.618 -11.755
  294    HA   ASP  38           HA       ASP  38  -9.079  21.978 -11.434
  295    HB2  ASP  38           HB2      ASP  38 -10.020  19.725 -11.766
  296    HB3  ASP  38           HB3      ASP  38  -9.279  19.177 -10.261
  297    H    THR  39           H        THR  39  -6.509  20.516  -9.554
  298    HA   THR  39           HA       THR  39  -7.582  21.653  -7.014
  299    HB   THR  39           HB       THR  39  -5.315  19.709  -7.601
  300    HG1  THR  39           HG1      THR  39  -7.172  18.724  -7.992
  301   HG21  THR  39          HG21      THR  39  -5.568  19.239  -5.089
  302   HG22  THR  39          HG22      THR  39  -4.767  20.758  -5.539
  303   HG23  THR  39          HG23      THR  39  -6.448  20.780  -5.000
  304    H    LEU  40           H        LEU  40  -4.638  21.826  -9.060
  305    HA   LEU  40           HA       LEU  40  -3.077  23.247  -7.129
  306    HB2  LEU  40           HB2      LEU  40  -2.835  22.969 -10.144
  307    HB3  LEU  40           HB3      LEU  40  -1.579  23.658  -9.126
  308    HG   LEU  40           HG       LEU  40  -2.585  20.803  -8.763
  309   HD11  LEU  40          HD11      LEU  40  -1.747  21.100 -11.077
  310   HD12  LEU  40          HD12      LEU  40  -0.241  21.803 -10.455
  311   HD13  LEU  40          HD13      LEU  40  -0.632  20.102 -10.133
  312   HD21  LEU  40          HD21      LEU  40  -0.409  20.359  -7.767
  313   HD22  LEU  40          HD22      LEU  40   0.028  22.072  -7.910
  314   HD23  LEU  40          HD23      LEU  40  -1.322  21.553  -6.858
  315    H    GLU  41           H        GLU  41  -3.100  25.383  -6.618
  316    HA   GLU  41           HA       GLU  41  -4.977  27.167  -7.957
  317    HB2  GLU  41           HB2      GLU  41  -3.208  27.468  -5.492
  318    HB3  GLU  41           HB3      GLU  41  -4.342  28.695  -6.044
  319    HG2  GLU  41           HG2      GLU  41  -5.211  25.877  -5.285
  320    HG3  GLU  41           HG3      GLU  41  -5.165  27.235  -4.175
  321    H    PHE  42           H        PHE  42  -3.120  26.620  -9.840
  322    HA   PHE  42           HA       PHE  42  -0.911  28.461  -9.890
  323    HB2  PHE  42           HB2      PHE  42  -0.778  27.829 -12.287
  324    HB3  PHE  42           HB3      PHE  42  -0.790  26.469 -11.193
  325    HD1  PHE  42           HD2      PHE  42  -3.018  28.484 -13.478
  326    HD2  PHE  42           HD1      PHE  42  -2.306  24.697 -11.537
  327    HE1  PHE  42           HE2      PHE  42  -4.846  27.461 -14.796
  328    HE2  PHE  42           HE1      PHE  42  -4.143  23.683 -12.855
  329    HZ   PHE  42           HZ       PHE  42  -5.417  25.059 -14.487
  330    HA   PRO  43           HA       PRO  43   0.083  29.794 -12.039
  331    HB2  PRO  43           HB2      PRO  43   0.032  32.754 -11.442
  332    HB3  PRO  43           HB3      PRO  43   0.846  31.906 -12.784
  333    HG2  PRO  43           HG2      PRO  43  -1.457  33.256 -13.215
  334    HG3  PRO  43           HG3      PRO  43  -1.210  31.646 -13.967
  335    HD2  PRO  43           HD2      PRO  43  -2.766  32.327 -11.456
  336    HD3  PRO  43           HD3      PRO  43  -3.230  31.260 -12.815
  337    H    PHE  44           H        PHE  44   1.905  29.603 -10.581
  338    HA   PHE  44           HA       PHE  44   1.750  30.969  -7.995
  339    HB2  PHE  44           HB2      PHE  44   2.004  29.037  -6.620
  340    HB3  PHE  44           HB3      PHE  44   0.489  28.944  -7.485
  341    HD1  PHE  44           HD2      PHE  44   4.021  27.664  -7.581
  342    HD2  PHE  44           HD1      PHE  44  -0.100  26.861  -8.489
  343    HE1  PHE  44           HE2      PHE  44   4.620  25.345  -8.113
  344    HE2  PHE  44           HE1      PHE  44   0.499  24.517  -9.048
  345    HZ   PHE  44           HZ       PHE  44   2.849  23.742  -8.856
  346    H    MET  45           H        MET  45   3.853  30.726  -6.778
  347    HA   MET  45           HA       MET  45   6.054  30.760  -8.761
  348    HB2  MET  45           HB2      MET  45   5.773  32.640  -7.142
  349    HB3  MET  45           HB3      MET  45   5.890  31.502  -5.789
  350    HG2  MET  45           HG2      MET  45   8.205  30.930  -6.503
  351    HG3  MET  45           HG3      MET  45   8.074  32.106  -7.812
  352    HE1  MET  45           HE1      MET  45  10.670  33.607  -5.322
  353    HE2  MET  45           HE2      MET  45  10.398  31.934  -5.875
  354    HE3  MET  45           HE3      MET  45  10.298  33.277  -7.030
  355    H    GLY  46           H        GLY  46   7.878  29.310  -8.620
  356    HA2  GLY  46           HA2      GLY  46   8.051  27.511  -6.330
  357    HA3  GLY  46           HA3      GLY  46   7.668  26.716  -7.863
  358    H    LYS  47           H        LYS  47   9.897  25.989  -6.674
  359    HA   LYS  47           HA       LYS  47  12.090  27.302  -8.214
  360    HB2  LYS  47           HB2      LYS  47  12.358  26.749  -5.642
  361    HB3  LYS  47           HB3      LYS  47  12.413  25.074  -6.151
  362    HG2  LYS  47           HG2      LYS  47  14.679  25.714  -6.028
  363    HG3  LYS  47           HG3      LYS  47  14.320  25.758  -7.749
  364    HD2  LYS  47           HD2      LYS  47  15.581  27.722  -7.286
  365    HD3  LYS  47           HD3      LYS  47  13.925  28.283  -7.490
  366    HE2  LYS  47           HE2      LYS  47  13.610  28.476  -5.090
  367    HE3  LYS  47           HE3      LYS  47  15.160  27.686  -4.769
  368    HZ1  LYS  47           HZ1      LYS  47  14.939  30.272  -6.208
  369    HZ2  LYS  47           HZ2      LYS  47  15.216  30.145  -4.592
  370    HZ3  LYS  47           HZ3      LYS  47  16.301  29.565  -5.659
  371    H    TRP  48           H        TRP  48  12.596  26.296 -10.100
  372    HA   TRP  48           HA       TRP  48  11.571  23.566 -10.670
  373    HB2  TRP  48           HB2      TRP  48  11.444  25.323 -12.450
  374    HB3  TRP  48           HB3      TRP  48  13.179  25.520 -12.372
  375    HD1  TRP  48           HD1      TRP  48  12.720  21.929 -12.165
  376    HE1  TRP  48           HE1      TRP  48  12.940  20.746 -14.380
  377    HE3  TRP  48           HE3      TRP  48  12.240  26.004 -15.210
  378    HZ2  TRP  48           HZ2      TRP  48  12.907  21.493 -17.210
  379    HZ3  TRP  48           HZ3      TRP  48  12.294  25.732 -17.676
  380    HH2  TRP  48           HH2      TRP  48  12.638  23.485 -18.683
  381    H    LYS  49           H        LYS  49  12.826  22.056  -9.668
  382    HA   LYS  49           HA       LYS  49  15.674  22.621  -9.030
  383    HB2  LYS  49           HB2      LYS  49  13.647  20.530  -8.114
  384    HB3  LYS  49           HB3      LYS  49  15.363  20.456  -7.699
  385    HG2  LYS  49           HG2      LYS  49  15.266  22.532  -6.461
  386    HG3  LYS  49           HG3      LYS  49  13.665  22.916  -7.098
  387    HD2  LYS  49           HD2      LYS  49  13.339  22.209  -4.883
  388    HD3  LYS  49           HD3      LYS  49  12.732  20.925  -5.944
  389    HE2  LYS  49           HE2      LYS  49  14.917  19.695  -5.558
  390    HE3  LYS  49           HE3      LYS  49  15.354  20.962  -4.399
  391    HZ1  LYS  49           HZ1      LYS  49  14.386  19.213  -3.166
  392    HZ2  LYS  49           HZ2      LYS  49  13.206  20.361  -3.228
  393    HZ3  LYS  49           HZ3      LYS  49  13.123  19.039  -4.182
  394    H    LYS  50           H        LYS  50  15.821  22.670 -11.448
  395    HA   LYS  50           HA       LYS  50  14.973  20.557 -13.104
  396    HB2  LYS  50           HB2      LYS  50  15.519  22.877 -13.823
  397    HB3  LYS  50           HB3      LYS  50  17.222  22.538 -13.504
  398    HG2  LYS  50           HG2      LYS  50  17.027  20.612 -15.161
  399    HG3  LYS  50           HG3      LYS  50  15.440  21.228 -15.602
  400    HD2  LYS  50           HD2      LYS  50  16.341  23.236 -16.470
  401    HD3  LYS  50           HD3      LYS  50  17.892  23.039 -15.637
  402    HE2  LYS  50           HE2      LYS  50  16.894  21.163 -17.815
  403    HE3  LYS  50           HE3      LYS  50  17.945  22.555 -18.122
  404    HZ1  LYS  50           HZ1      LYS  50  19.268  20.583 -17.889
  405    HZ2  LYS  50           HZ2      LYS  50  19.599  21.547 -16.601
  406    HZ3  LYS  50           HZ3      LYS  50  18.650  20.227 -16.414
  407    H    LYS  51           H        LYS  51  15.849  18.454 -13.439
  408    HA   LYS  51           HA       LYS  51  18.203  17.561 -12.173
  409    HB2  LYS  51           HB2      LYS  51  16.512  16.075 -13.277
  410    HB3  LYS  51           HB3      LYS  51  17.111  16.610 -14.860
  411    HG2  LYS  51           HG2      LYS  51  19.380  15.707 -14.278
  412    HG3  LYS  51           HG3      LYS  51  18.768  15.224 -12.694
  413    HD2  LYS  51           HD2      LYS  51  18.862  13.284 -14.092
  414    HD3  LYS  51           HD3      LYS  51  17.156  13.674 -13.824
  415    HE2  LYS  51           HE2      LYS  51  17.050  14.757 -16.058
  416    HE3  LYS  51           HE3      LYS  51  18.774  14.450 -16.301
  417    HZ1  LYS  51           HZ1      LYS  51  16.701  12.350 -16.012
  418    HZ2  LYS  51           HZ2      LYS  51  17.410  12.795 -17.409
  419    HZ3  LYS  51           HZ3      LYS  51  18.295  12.073 -16.249
  420    H    SER  52           H        SER  52  20.359  17.963 -12.534
  421    HA   SER  52           HA       SER  52  20.984  20.182 -14.108
  422    HB2  SER  52           HB2      SER  52  22.183  19.545 -12.079
  423    HB3  SER  52           HB3      SER  52  22.815  18.095 -12.879
  424    HG   SER  52           HG       SER  52  24.290  19.834 -12.845
  425    H    ARG  53           H        ARG  53  22.186  20.462 -15.946
  426    HA   ARG  53           HA       ARG  53  21.804  18.956 -18.225
  427    HB2  ARG  53           HB2      ARG  53  22.649  21.278 -18.102
  428    HB3  ARG  53           HB3      ARG  53  24.201  20.698 -17.496
  429    HG2  ARG  53           HG2      ARG  53  24.566  19.451 -19.628
  430    HG3  ARG  53           HG3      ARG  53  22.990  20.010 -20.220
  431    HD2  ARG  53           HD2      ARG  53  23.756  22.355 -20.073
  432    HD3  ARG  53           HD3      ARG  53  25.322  21.830 -19.456
  433    HE   ARG  53           HE       ARG  53  24.305  21.692 -22.204
  434   HH11  ARG  53          HH11      ARG  53  26.865  20.584 -20.001
  435   HH12  ARG  53          HH12      ARG  53  27.963  20.169 -21.262
  436   HH21  ARG  53          HH21      ARG  53  25.768  21.140 -23.880
  437   HH22  ARG  53          HH22      ARG  53  27.323  20.496 -23.516
  438    H    LYS  54           H        LYS  54  22.151  16.841 -18.389
  439    HA   LYS  54           HA       LYS  54  22.986  14.785 -18.215
  440    HB2  LYS  54           HB2      LYS  54  24.236  16.054 -20.112
  441    HB3  LYS  54           HB3      LYS  54  25.652  15.951 -19.064
  442    HG2  LYS  54           HG2      LYS  54  25.407  13.443 -19.066
  443    HG3  LYS  54           HG3      LYS  54  23.973  13.607 -20.092
  444    HD2  LYS  54           HD2      LYS  54  25.356  14.671 -21.857
  445    HD3  LYS  54           HD3      LYS  54  26.793  14.518 -20.821
  446    HE2  LYS  54           HE2      LYS  54  26.506  12.048 -20.797
  447    HE3  LYS  54           HE3      LYS  54  25.076  12.201 -21.825
  448    HZ1  LYS  54           HZ1      LYS  54  26.502  13.123 -23.559
  449    HZ2  LYS  54           HZ2      LYS  54  27.825  12.983 -22.608
  450    HZ3  LYS  54           HZ3      LYS  54  27.037  11.652 -23.114
  451    H    THR  55           H        THR  55  23.033  16.078 -15.595
  452    HA   THR  55           HA       THR  55  25.166  14.474 -14.325
  453    HB   THR  55           HB       THR  55  24.769  17.411 -13.626
  454    HG1  THR  55           HG1      THR  55  25.646  17.398 -15.666
  455   HG21  THR  55          HG21      THR  55  26.985  17.147 -12.535
  456   HG22  THR  55          HG22      THR  55  25.797  16.050 -11.839
  457   HG23  THR  55          HG23      THR  55  27.004  15.426 -12.984
  458    H    SER  56           H        SER  56  24.606  13.816 -12.205
  459    HA   SER  56           HA       SER  56  21.833  13.584 -11.690
  460    HB2  SER  56           HB2      SER  56  24.140  13.004  -9.795
  461    HB3  SER  56           HB3      SER  56  22.551  12.221  -9.840
  462    HG   SER  56           HG       SER  56  24.177  10.953 -10.844
  463    H    THR  57           H        THR  57  23.796  16.283 -10.979
  464    HA   THR  57           HA       THR  57  22.770  16.987  -8.369
  465    HB   THR  57           HB       THR  57  23.889  19.215  -9.144
  466    HG1  THR  57           HG1      THR  57  25.267  18.976 -10.901
  467   HG21  THR  57          HG21      THR  57  26.144  18.318  -8.754
  468   HG22  THR  57          HG22      THR  57  24.988  17.570  -7.643
  469   HG23  THR  57          HG23      THR  57  25.570  16.664  -9.057
  470    H    ILE  58           H        ILE  58  21.761  19.377  -8.307
  471    HA   ILE  58           HA       ILE  58  19.459  19.463 -10.202
  472    HB   ILE  58           HB       ILE  58  19.649  19.652  -7.216
  473   HG12  ILE  58          HG12      ILE  58  17.523  18.600  -7.217
  474   HG13  ILE  58          HG13      ILE  58  17.240  18.963  -8.922
  475   HG21  ILE  58          HG21      ILE  58  17.557  20.996  -7.037
  476   HG22  ILE  58          HG22      ILE  58  18.934  21.922  -7.618
  477   HG23  ILE  58          HG23      ILE  58  17.694  21.387  -8.770
  478   HD11  ILE  58          HD11      ILE  58  17.733  16.564  -8.410
  479   HD12  ILE  58          HD12      ILE  58  18.758  17.300  -9.644
  480   HD13  ILE  58          HD13      ILE  58  19.392  17.045  -7.988
  481    H    GLU  59           H        GLU  59  19.355  21.218 -11.383
  482    HA   GLU  59           HA       GLU  59  21.035  23.618 -10.835
  483    HB2  GLU  59           HB2      GLU  59  19.447  22.604 -13.233
  484    HB3  GLU  59           HB3      GLU  59  19.963  24.289 -13.096
  485    HG2  GLU  59           HG2      GLU  59  22.314  23.596 -13.004
  486    HG3  GLU  59           HG3      GLU  59  21.843  21.905 -13.084
  487    H    GLU  60           H        GLU  60  19.903  24.620  -9.118
  488    HA   GLU  60           HA       GLU  60  16.999  24.744  -9.009
  489    HB2  GLU  60           HB2      GLU  60  19.234  26.291  -7.616
  490    HB3  GLU  60           HB3      GLU  60  17.522  26.631  -7.360
  491    HG2  GLU  60           HG2      GLU  60  17.161  24.275  -6.642
  492    HG3  GLU  60           HG3      GLU  60  18.899  23.986  -6.806
  493    H    LYS  61           H        LYS  61  15.663  26.065 -10.176
  494    HA   LYS  61           HA       LYS  61  16.728  28.737 -11.065
  495    HB2  LYS  61           HB2      LYS  61  16.695  27.054 -12.933
  496    HB3  LYS  61           HB3      LYS  61  14.978  26.784 -12.631
  497    HG2  LYS  61           HG2      LYS  61  14.623  29.283 -13.107
  498    HG3  LYS  61           HG3      LYS  61  16.308  29.329 -13.637
  499    HD2  LYS  61           HD2      LYS  61  14.023  27.698 -14.825
  500    HD3  LYS  61           HD3      LYS  61  14.830  29.094 -15.550
  501    HE2  LYS  61           HE2      LYS  61  16.973  27.759 -15.598
  502    HE3  LYS  61           HE3      LYS  61  16.074  26.356 -14.999
  503    HZ1  LYS  61           HZ1      LYS  61  14.741  26.413 -17.011
  504    HZ2  LYS  61           HZ2      LYS  61  15.520  27.749 -17.559
  505    HZ3  LYS  61           HZ3      LYS  61  16.320  26.341 -17.414
  506    H    THR  62           H        THR  62  15.192  30.391 -10.611
  507    HA   THR  62           HA       THR  62  12.856  29.506  -8.999
  508    HB   THR  62           HB       THR  62  14.012  32.302  -9.336
  509    HG1  THR  62           HG1      THR  62  15.632  31.175  -8.418
  510   HG21  THR  62          HG21      THR  62  11.744  32.179  -8.372
  511   HG22  THR  62          HG22      THR  62  12.303  31.000  -7.165
  512   HG23  THR  62          HG23      THR  62  12.930  32.667  -7.150
  513    H    VAL  63           H        VAL  63  10.778  29.609  -9.861
  514    HA   VAL  63           HA       VAL  63  10.445  31.070 -12.414
  515    HB   VAL  63           HB       VAL  63   9.453  29.111 -13.450
  516   HG11  VAL  63          HG11      VAL  63  11.411  27.820 -13.937
  517   HG12  VAL  63          HG12      VAL  63  11.904  29.505 -13.743
  518   HG13  VAL  63          HG13      VAL  63  12.217  28.334 -12.444
  519   HG21  VAL  63          HG21      VAL  63   9.607  26.869 -12.535
  520   HG22  VAL  63          HG22      VAL  63  10.348  27.475 -11.038
  521   HG23  VAL  63          HG23      VAL  63   8.665  27.876 -11.437
  522    H    GLU  64           H        GLU  64   8.319  31.404 -13.020
  523    HA   GLU  64           HA       GLU  64   6.237  31.141 -10.884
  524    HB2  GLU  64           HB2      GLU  64   6.695  33.478 -11.639
  525    HB3  GLU  64           HB3      GLU  64   6.335  33.007 -13.302
  526    HG2  GLU  64           HG2      GLU  64   4.024  32.428 -12.674
  527    HG3  GLU  64           HG3      GLU  64   4.386  32.706 -10.970
  528    H    VAL  65           H        VAL  65   4.919  29.423 -11.274
  529    HA   VAL  65           HA       VAL  65   4.891  28.171 -13.937
  530    HB   VAL  65           HB       VAL  65   3.902  26.352 -13.086
  531   HG11  VAL  65          HG11      VAL  65   5.030  25.612 -11.093
  532   HG12  VAL  65          HG12      VAL  65   6.133  26.688 -11.965
  533   HG13  VAL  65          HG13      VAL  65   5.266  27.275 -10.530
  534   HG21  VAL  65          HG21      VAL  65   2.605  26.045 -11.082
  535   HG22  VAL  65          HG22      VAL  65   2.729  27.774 -10.715
  536   HG23  VAL  65          HG23      VAL  65   1.864  27.209 -12.170
  537    H    LEU  66           H        LEU  66   3.204  28.381 -15.383
  538    HA   LEU  66           HA       LEU  66   1.217  30.500 -14.711
  539    HB2  LEU  66           HB2      LEU  66   1.883  29.208 -17.390
  540    HB3  LEU  66           HB3      LEU  66   0.796  30.550 -17.112
  541    HG   LEU  66           HG       LEU  66   2.666  31.565 -17.964
  542   HD11  LEU  66          HD11      LEU  66   3.176  31.824 -14.971
  543   HD12  LEU  66          HD12      LEU  66   3.616  32.977 -16.242
  544   HD13  LEU  66          HD13      LEU  66   1.907  32.690 -15.872
  545   HD21  LEU  66          HD21      LEU  66   4.538  30.055 -16.112
  546   HD22  LEU  66          HD22      LEU  66   4.212  29.625 -17.807
  547   HD23  LEU  66          HD23      LEU  66   4.964  31.176 -17.406
  548    H    GLY  67           H        GLY  67   1.371  27.008 -15.256
  549    HA2  GLY  67           HA2      GLY  67  -1.075  26.298 -14.340
  550    HA3  GLY  67           HA3      GLY  67  -1.377  26.689 -16.045
  551    H    MET  68           H        MET  68  -1.820  24.188 -15.408
  552    HA   MET  68           HA       MET  68   0.418  22.381 -15.750
  553    HB2  MET  68           HB2      MET  68  -2.558  22.053 -16.339
  554    HB3  MET  68           HB3      MET  68  -1.372  20.756 -16.473
  555    HG2  MET  68           HG2      MET  68  -1.923  22.273 -13.898
  556    HG3  MET  68           HG3      MET  68  -2.722  20.774 -14.345
  557    HE1  MET  68           HE1      MET  68  -0.596  18.773 -15.469
  558    HE2  MET  68           HE2      MET  68  -0.097  18.021 -13.942
  559    HE3  MET  68           HE3      MET  68  -1.801  18.442 -14.196
  560    H    ALA  69           H        ALA  69   1.090  21.347 -17.627
  561    HA   ALA  69           HA       ALA  69   1.051  22.875 -20.094
  562    HB1  ALA  69           HB1      ALA  69   2.511  21.130 -20.894
  563    HB2  ALA  69           HB2      ALA  69   2.935  21.374 -19.199
  564    HB3  ALA  69           HB3      ALA  69   1.903  19.996 -19.681
  565    HA   PRO  70           HA       PRO  70  -2.379  20.994 -22.279
  566    HB2  PRO  70           HB2      PRO  70  -0.381  19.803 -24.215
  567    HB3  PRO  70           HB3      PRO  70  -1.919  20.653 -24.569
  568    HG2  PRO  70           HG2      PRO  70   0.429  21.970 -24.811
  569    HG3  PRO  70           HG3      PRO  70  -0.955  22.775 -24.000
  570    HD2  PRO  70           HD2      PRO  70   1.409  21.374 -22.746
  571    HD3  PRO  70           HD3      PRO  70   0.672  22.946 -22.302
  572    H    ASP  71           H        ASP  71  -3.476  19.012 -22.631
  573    HA   ASP  71           HA       ASP  71  -2.827  16.811 -21.006
  574    HB2  ASP  71           HB2      ASP  71  -4.694  15.752 -21.885
  575    HB3  ASP  71           HB3      ASP  71  -5.106  17.458 -21.978
  576    H    ASP  72           H        ASP  72  -1.898  17.545 -24.338
  577    HA   ASP  72           HA       ASP  72  -1.142  14.924 -25.144
  578    HB2  ASP  72           HB2      ASP  72  -1.478  16.798 -26.710
  579    HB3  ASP  72           HB3      ASP  72  -0.068  17.625 -26.040
  580    H    GLU  73           H        GLU  73   0.478  17.316 -23.140
  581    HA   GLU  73           HA       GLU  73   3.056  15.850 -23.119
  582    HB2  GLU  73           HB2      GLU  73   2.068  18.151 -21.368
  583    HB3  GLU  73           HB3      GLU  73   3.695  17.498 -21.408
  584    HG2  GLU  73           HG2      GLU  73   2.275  19.013 -23.633
  585    HG3  GLU  73           HG3      GLU  73   3.578  19.606 -22.615
  586    H    CYS  74           H        CYS  74   0.208  16.543 -21.050
  587    HA   CYS  74           HA       CYS  74   1.254  15.159 -18.830
  588    HB2  CYS  74           HB2      CYS  74  -1.578  16.121 -19.303
  589    HB3  CYS  74           HB3      CYS  74  -0.875  15.615 -17.755
  590    HG   CYS  74           HG       CYS  74  -0.124  18.149 -19.727
  591    H    LEU  75           H        LEU  75   0.676  13.513 -21.372
  592    HA   LEU  75           HA       LEU  75  -0.878  11.245 -20.262
  593    HB2  LEU  75           HB2      LEU  75   0.419  11.909 -22.929
  594    HB3  LEU  75           HB3      LEU  75  -0.036  10.253 -22.564
  595    HG   LEU  75           HG       LEU  75  -2.063  12.498 -22.327
  596   HD11  LEU  75          HD11      LEU  75  -2.826  11.950 -24.592
  597   HD12  LEU  75          HD12      LEU  75  -1.163  12.552 -24.614
  598   HD13  LEU  75          HD13      LEU  75  -1.472  10.810 -24.792
  599   HD21  LEU  75          HD21      LEU  75  -2.630  10.316 -21.254
  600   HD22  LEU  75          HD22      LEU  75  -3.683  10.679 -22.624
  601   HD23  LEU  75          HD23      LEU  75  -2.361   9.505 -22.808
  602    H    LYS  76           H        LYS  76   2.301  12.459 -20.111
  603    HA   LYS  76           HA       LYS  76   3.520   9.724 -19.892
  604    HB2  LYS  76           HB2      LYS  76   4.779  12.350 -20.749
  605    HB3  LYS  76           HB3      LYS  76   5.614  10.808 -20.615
  606    HG2  LYS  76           HG2      LYS  76   3.336  11.425 -22.550
  607    HG3  LYS  76           HG3      LYS  76   5.056  11.389 -22.940
  608    HD2  LYS  76           HD2      LYS  76   5.138   8.971 -22.311
  609    HD3  LYS  76           HD3      LYS  76   3.383   9.007 -22.024
  610    HE2  LYS  76           HE2      LYS  76   3.005   9.712 -24.369
  611    HE3  LYS  76           HE3      LYS  76   4.748   9.696 -24.663
  612    HZ1  LYS  76           HZ1      LYS  76   3.125   7.320 -23.950
  613    HZ2  LYS  76           HZ2      LYS  76   3.704   7.664 -25.432
  614    HZ3  LYS  76           HZ3      LYS  76   4.737   7.310 -24.226
  615    H    ASP  77           H        ASP  77   3.376  12.949 -18.439
  616    HA   ASP  77           HA       ASP  77   4.126  12.000 -15.832
  617    HB2  ASP  77           HB2      ASP  77   6.343  12.621 -17.217
  618    HB3  ASP  77           HB3      ASP  77   5.838  14.266 -16.851
  619    H    MET  78           H        MET  78   4.098  14.297 -14.460
  620    HA   MET  78           HA       MET  78   1.724  15.811 -15.511
  621    HB2  MET  78           HB2      MET  78   3.053  15.734 -12.772
  622    HB3  MET  78           HB3      MET  78   1.771  16.865 -13.225
  623    HG2  MET  78           HG2      MET  78   1.548  13.836 -13.244
  624    HG3  MET  78           HG3      MET  78   0.938  14.892 -11.991
  625    HE1  MET  78           HE1      MET  78   0.010  12.652 -14.626
  626    HE2  MET  78           HE2      MET  78  -1.194  13.412 -15.677
  627    HE3  MET  78           HE3      MET  78   0.511  13.835 -15.855
  628    H    TYR  79           H        TYR  79   2.105  17.911 -16.304
  629    HA   TYR  79           HA       TYR  79   4.841  19.022 -15.972
  630    HB2  TYR  79           HB2      TYR  79   3.284  18.798 -18.563
  631    HB3  TYR  79           HB3      TYR  79   4.775  19.695 -18.365
  632    HD1  TYR  79           HD2      TYR  79   3.231  16.363 -18.615
  633    HD2  TYR  79           HD1      TYR  79   6.938  18.557 -18.481
  634    HE1  TYR  79           HE2      TYR  79   4.432  14.391 -19.490
  635    HE2  TYR  79           HE1      TYR  79   8.143  16.584 -19.375
  636    HH   TYR  79           HH       TYR  79   7.943  14.309 -20.083
  637    H    VAL  80           H        VAL  80   4.978  21.249 -16.345
  638    HA   VAL  80           HA       VAL  80   2.476  22.826 -16.226
  639    HB   VAL  80           HB       VAL  80   3.676  24.180 -14.396
  640   HG11  VAL  80          HG11      VAL  80   2.597  21.425 -13.683
  641   HG12  VAL  80          HG12      VAL  80   2.738  22.820 -12.587
  642   HG13  VAL  80          HG13      VAL  80   1.647  22.900 -13.970
  643   HG21  VAL  80          HG21      VAL  80   5.897  23.018 -14.511
  644   HG22  VAL  80          HG22      VAL  80   5.191  23.017 -12.889
  645   HG23  VAL  80          HG23      VAL  80   5.138  21.544 -13.880
  646    H    GLU  81           H        GLU  81   2.678  24.838 -17.077
  647    HA   GLU  81           HA       GLU  81   5.057  25.390 -18.760
  648    HB2  GLU  81           HB2      GLU  81   2.430  26.895 -18.352
  649    HB3  GLU  81           HB3      GLU  81   3.757  27.429 -19.398
  650    HG2  GLU  81           HG2      GLU  81   3.551  25.274 -20.683
  651    HG3  GLU  81           HG3      GLU  81   2.131  24.871 -19.715
  652    H    VAL  82           H        VAL  82   6.598  26.931 -18.114
  653    HA   VAL  82           HA       VAL  82   6.119  28.425 -15.604
  654    HB   VAL  82           HB       VAL  82   8.127  27.679 -14.575
  655   HG11  VAL  82          HG11      VAL  82   6.776  25.122 -15.496
  656   HG12  VAL  82          HG12      VAL  82   7.654  25.409 -13.985
  657   HG13  VAL  82          HG13      VAL  82   6.104  26.213 -14.274
  658   HG21  VAL  82          HG21      VAL  82   9.624  27.299 -16.463
  659   HG22  VAL  82          HG22      VAL  82   9.557  25.855 -15.454
  660   HG23  VAL  82          HG23      VAL  82   8.661  25.894 -16.986
  661    H    ALA  83           H        ALA  83   7.447  30.306 -15.362
  662    HA   ALA  83           HA       ALA  83   9.108  31.048 -17.737
  663    HB1  ALA  83           HB1      ALA  83   7.136  32.801 -16.204
  664    HB2  ALA  83           HB2      ALA  83   8.287  33.368 -17.435
  665    HB3  ALA  83           HB3      ALA  83   6.984  32.260 -17.895
  666    H    ASP  84           H        ASP  84  11.001  32.107 -17.199
  667    HA   ASP  84           HA       ASP  84  12.036  31.520 -14.550
  668    HB2  ASP  84           HB2      ASP  84  13.496  31.326 -16.494
  669    HB3  ASP  84           HB3      ASP  84  13.175  33.014 -16.938
  670    H    ILE  85           H        ILE  85  12.116  32.801 -12.789
  671    HA   ILE  85           HA       ILE  85  11.151  35.590 -12.978
  672    HB   ILE  85           HB       ILE  85  11.863  33.851 -10.600
  673   HG12  ILE  85          HG12      ILE  85   9.135  34.757 -11.658
  674   HG13  ILE  85          HG13      ILE  85   9.804  33.151 -11.872
  675   HG21  ILE  85          HG21      ILE  85  10.450  36.551 -10.620
  676   HG22  ILE  85          HG22      ILE  85  10.813  35.564  -9.189
  677   HG23  ILE  85          HG23      ILE  85  12.129  36.291 -10.073
  678   HD11  ILE  85          HD11      ILE  85   9.842  32.843  -9.389
  679   HD12  ILE  85          HD12      ILE  85   8.991  34.401  -9.216
  680   HD13  ILE  85          HD13      ILE  85   8.221  33.071 -10.053
  681    H    GLY  86           H        GLY  86  14.174  33.783 -12.884
  682    HA2  GLY  86           HA2      GLY  86  15.883  35.530 -11.504
  683    HA3  GLY  86           HA3      GLY  86  16.342  34.407 -12.796
  684    H    GLY  87           H        GLY  87  15.073  35.453 -15.022
  685    HA2  GLY  87           HA2      GLY  87  15.047  38.294 -15.251
  686    HA3  GLY  87           HA3      GLY  87  16.614  37.681 -15.812
  687    H    LYS  88           H        LYS  88  15.201  35.110 -16.834
  688    HA   LYS  88           HA       LYS  88  14.635  36.227 -19.492
  689    HB2  LYS  88           HB2      LYS  88  14.742  33.328 -18.564
  690    HB3  LYS  88           HB3      LYS  88  14.697  33.898 -20.230
  691    HG2  LYS  88           HG2      LYS  88  16.976  34.319 -18.252
  692    HG3  LYS  88           HG3      LYS  88  16.933  33.181 -19.598
  693    HD2  LYS  88           HD2      LYS  88  16.746  35.099 -21.197
  694    HD3  LYS  88           HD3      LYS  88  16.902  36.224 -19.826
  695    HE2  LYS  88           HE2      LYS  88  19.098  35.224 -19.252
  696    HE3  LYS  88           HE3      LYS  88  18.950  34.105 -20.612
  697    HZ1  LYS  88           HZ1      LYS  88  18.969  36.020 -22.104
  698    HZ2  LYS  88           HZ2      LYS  88  19.108  37.056 -20.846
  699    HZ3  LYS  88           HZ3      LYS  88  20.310  36.010 -21.182
  700    H    ASP  89           H        ASP  89  12.720  36.980 -17.563
  701    HA   ASP  89           HA       ASP  89  10.333  35.422 -17.529
  702    HB2  ASP  89           HB2      ASP  89  10.764  37.262 -15.971
  703    HB3  ASP  89           HB3      ASP  89  10.830  38.415 -17.303
  704    H    ASP  90           H        ASP  90  11.780  37.409 -19.995
  705    HA   ASP  90           HA       ASP  90   9.531  38.010 -21.624
  706    HB2  ASP  90           HB2      ASP  90  11.752  39.093 -21.767
  707    HB3  ASP  90           HB3      ASP  90  12.457  37.580 -22.338
  708    H    ASP  91           H        ASP  91  10.847  34.905 -20.908
  709    HA   ASP  91           HA       ASP  91   9.546  33.725 -23.291
  710    HB2  ASP  91           HB2      ASP  91  12.032  33.918 -23.665
  711    HB3  ASP  91           HB3      ASP  91  12.276  32.892 -22.248
  712    H    VAL  92           H        VAL  92   9.236  31.338 -22.947
  713    HA   VAL  92           HA       VAL  92   8.580  30.682 -20.127
  714    HB   VAL  92           HB       VAL  92   6.573  30.442 -22.386
  715   HG11  VAL  92          HG11      VAL  92   4.913  30.212 -20.564
  716   HG12  VAL  92          HG12      VAL  92   6.130  28.945 -20.483
  717   HG13  VAL  92          HG13      VAL  92   6.218  30.326 -19.367
  718   HG21  VAL  92          HG21      VAL  92   6.746  32.691 -20.335
  719   HG22  VAL  92          HG22      VAL  92   6.862  32.851 -22.102
  720   HG23  VAL  92          HG23      VAL  92   5.337  32.371 -21.369
  721    H    TYR  93           H        TYR  93   8.266  28.459 -19.828
  722    HA   TYR  93           HA       TYR  93   9.429  26.601 -21.838
  723    HB2  TYR  93           HB2      TYR  93  10.178  26.771 -18.892
  724    HB3  TYR  93           HB3      TYR  93  10.952  25.799 -20.130
  725    HD1  TYR  93           HD1      TYR  93  12.487  26.857 -21.798
  726    HD2  TYR  93           HD2      TYR  93  10.691  29.132 -18.601
  727    HE1  TYR  93           HE1      TYR  93  14.110  28.688 -22.192
  728    HE2  TYR  93           HE2      TYR  93  12.292  30.979 -19.004
  729    HH   TYR  93           HH       TYR  93  14.083  31.725 -20.275
  730    H    THR  94           H        THR  94   9.378  24.336 -20.639
  731    HA   THR  94           HA       THR  94   6.900  23.976 -19.032
  732    HB   THR  94           HB       THR  94   7.662  22.007 -21.210
  733    HG1  THR  94           HG1      THR  94   7.096  23.947 -22.215
  734   HG21  THR  94          HG21      THR  94   5.338  21.245 -20.924
  735   HG22  THR  94          HG22      THR  94   6.219  21.169 -19.390
  736   HG23  THR  94          HG23      THR  94   5.067  22.493 -19.683
  737    H    ALA  95           H        ALA  95   7.194  22.623 -17.355
  738    HA   ALA  95           HA       ALA  95   9.741  21.091 -17.091
  739    HB1  ALA  95           HB1      ALA  95   9.831  21.836 -14.730
  740    HB2  ALA  95           HB2      ALA  95   9.910  23.238 -15.820
  741    HB3  ALA  95           HB3      ALA  95   8.397  22.850 -14.975
  742    H    LYS  96           H        LYS  96   9.452  19.255 -15.602
  743    HA   LYS  96           HA       LYS  96   6.724  18.146 -15.613
  744    HB2  LYS  96           HB2      LYS  96   9.281  17.154 -14.294
  745    HB3  LYS  96           HB3      LYS  96   7.734  16.304 -14.314
  746    HG2  LYS  96           HG2      LYS  96   7.774  16.003 -16.661
  747    HG3  LYS  96           HG3      LYS  96   9.174  17.065 -16.887
  748    HD2  LYS  96           HD2      LYS  96   9.219  14.455 -15.337
  749    HD3  LYS  96           HD3      LYS  96   9.678  14.638 -17.042
  750    HE2  LYS  96           HE2      LYS  96  11.454  16.257 -16.386
  751    HE3  LYS  96           HE3      LYS  96  11.039  16.015 -14.683
  752    HZ1  LYS  96           HZ1      LYS  96  12.908  14.642 -15.332
  753    HZ2  LYS  96           HZ2      LYS  96  11.657  13.674 -14.941
  754    HZ3  LYS  96           HZ3      LYS  96  12.052  13.911 -16.509
  755    H    LEU  97           H        LEU  97   5.431  18.109 -13.754
  756    HA   LEU  97           HA       LEU  97   5.897  20.028 -11.639
  757    HB2  LEU  97           HB2      LEU  97   3.625  19.127 -12.328
  758    HB3  LEU  97           HB3      LEU  97   4.086  17.576 -11.617
  759    HG   LEU  97           HG       LEU  97   4.340  18.713  -9.380
  760   HD11  LEU  97          HD11      LEU  97   3.199  21.117 -10.884
  761   HD12  LEU  97          HD12      LEU  97   3.284  20.982  -9.120
  762   HD13  LEU  97          HD13      LEU  97   4.772  21.032 -10.059
  763   HD21  LEU  97          HD21      LEU  97   2.264  17.557  -9.999
  764   HD22  LEU  97          HD22      LEU  97   1.928  18.959  -8.975
  765   HD23  LEU  97          HD23      LEU  97   1.633  19.055 -10.726
  766    H    SER  98           H        SER  98   6.671  16.648 -12.240
  767    HA   SER  98           HA       SER  98   7.674  15.799  -9.762
  768    HB2  SER  98           HB2      SER  98   8.517  15.101 -12.612
  769    HB3  SER  98           HB3      SER  98   8.783  14.104 -11.182
  770    HG   SER  98           HG       SER  98   6.639  14.101 -12.731
  771    H    ASP  99           H        ASP  99   8.993  18.306 -11.802
  772    HA   ASP  99           HA       ASP  99  11.708  17.988 -10.631
  773    HB2  ASP  99           HB2      ASP  99  10.869  18.226 -13.302
  774    HB3  ASP  99           HB3      ASP  99  11.269  19.874 -12.875
  775    H    ILE 100           H        ILE 100   8.951  19.462  -9.839
  776    HA   ILE 100           HA       ILE 100  10.064  22.189  -9.399
  777    HB   ILE 100           HB       ILE 100   7.467  21.139 -10.437
  778   HG12  ILE 100          HG12      ILE 100   9.436  22.305 -11.682
  779   HG13  ILE 100          HG13      ILE 100   7.761  22.625 -12.133
  780   HG21  ILE 100          HG21      ILE 100   6.532  22.238  -8.520
  781   HG22  ILE 100          HG22      ILE 100   7.474  23.712  -8.830
  782   HG23  ILE 100          HG23      ILE 100   6.208  23.196  -9.964
  783   HD11  ILE 100          HD11      ILE 100   9.221  24.630 -12.102
  784   HD12  ILE 100          HD12      ILE 100   7.803  24.789 -11.059
  785   HD13  ILE 100          HD13      ILE 100   9.395  24.455 -10.342
  786    H    GLU 101           H        GLU 101   9.626  23.181  -7.523
  787    HA   GLU 101           HA       GLU 101   8.178  21.733  -5.361
  788    HB2  GLU 101           HB2      GLU 101  10.622  21.479  -5.060
  789    HB3  GLU 101           HB3      GLU 101  10.825  23.235  -5.099
  790    HG2  GLU 101           HG2      GLU 101   9.364  23.404  -3.069
  791    HG3  GLU 101           HG3      GLU 101   9.229  21.644  -3.041
  792    H    ALA 102           H        ALA 102   6.381  23.007  -5.031
  793    HA   ALA 102           HA       ALA 102   6.252  25.728  -5.995
  794    HB1  ALA 102           HB1      ALA 102   4.017  25.732  -4.996
  795    HB2  ALA 102           HB2      ALA 102   4.267  24.257  -5.922
  796    HB3  ALA 102           HB3      ALA 102   4.365  24.210  -4.144
  797    H    ILE 103           H        ILE 103   6.141  27.630  -4.839
  798    HA   ILE 103           HA       ILE 103   7.243  27.599  -2.058
  799    HB   ILE 103           HB       ILE 103   7.618  29.545  -4.359
  800   HG12  ILE 103          HG12      ILE 103   9.731  27.930  -2.854
  801   HG13  ILE 103          HG13      ILE 103   9.012  27.387  -4.360
  802   HG21  ILE 103          HG21      ILE 103   8.700  29.750  -1.514
  803   HG22  ILE 103          HG22      ILE 103   9.075  30.855  -2.856
  804   HG23  ILE 103          HG23      ILE 103   7.443  30.790  -2.219
  805   HD11  ILE 103          HD11      ILE 103  11.099  28.418  -4.892
  806   HD12  ILE 103          HD12      ILE 103   9.818  29.483  -5.486
  807   HD13  ILE 103          HD13      ILE 103  10.707  29.885  -3.996
  808    H    ASP 104           H        ASP 104   6.075  28.559  -0.550
  809    HA   ASP 104           HA       ASP 104   4.321  29.443   0.536
  810    HB2  ASP 104           HB2      ASP 104   5.824  31.325   0.040
  811    HB3  ASP 104           HB3      ASP 104   4.880  31.702  -1.403
  812    H    VAL 105           H        VAL 105   3.304  27.627  -1.261
  813    HA   VAL 105           HA       VAL 105   1.136  28.944  -2.750
  814    HB   VAL 105           HB       VAL 105   2.807  27.222  -3.670
  815   HG11  VAL 105          HG11      VAL 105   2.672  25.461  -1.999
  816   HG12  VAL 105          HG12      VAL 105   0.956  25.234  -2.352
  817   HG13  VAL 105          HG13      VAL 105   2.151  24.866  -3.587
  818   HG21  VAL 105          HG21      VAL 105   1.325  26.530  -5.326
  819   HG22  VAL 105          HG22      VAL 105  -0.103  26.804  -4.288
  820   HG23  VAL 105          HG23      VAL 105   0.887  28.165  -4.840
  821    H    ASP 106           H        ASP 106  -1.038  27.599  -2.772
  822    HA   ASP 106           HA       ASP 106  -2.099  27.712  -0.107
  823    HB2  ASP 106           HB2      ASP 106  -3.409  28.085  -2.274
  824    HB3  ASP 106           HB3      ASP 106  -3.347  26.317  -2.471
  825    H    ASP 107           H        ASP 107  -3.317  25.891   0.785
  826    HA   ASP 107           HA       ASP 107  -1.455  23.784   1.510
  827    HB2  ASP 107           HB2      ASP 107  -3.022  24.694   3.150
  828    HB3  ASP 107           HB3      ASP 107  -4.398  24.216   2.152
  829    H    ASP 108           H        ASP 108  -4.425  23.988  -0.557
  830    HA   ASP 108           HA       ASP 108  -4.524  21.127  -0.895
  831    HB2  ASP 108           HB2      ASP 108  -6.391  22.949  -1.078
  832    HB3  ASP 108           HB3      ASP 108  -5.824  23.148  -2.738
  833    H    THR 109           H        THR 109  -2.875  23.756  -2.524
  834    HA   THR 109           HA       THR 109  -2.196  22.311  -4.976
  835    HB   THR 109           HB       THR 109  -0.818  24.752  -3.706
  836    HG1  THR 109           HG1      THR 109  -3.113  25.002  -4.145
  837   HG21  THR 109          HG21      THR 109  -0.874  23.699  -6.552
  838   HG22  THR 109          HG22      THR 109  -0.323  25.287  -6.105
  839   HG23  THR 109          HG23      THR 109   0.557  23.874  -5.498
  840    H    GLN 110           H        GLN 110  -0.555  23.089  -1.834
  841    HA   GLN 110           HA       GLN 110   1.788  21.637  -2.498
  842    HB2  GLN 110           HB2      GLN 110   1.626  23.449  -0.817
  843    HB3  GLN 110           HB3      GLN 110   0.671  22.397   0.228
  844    HG2  GLN 110           HG2      GLN 110   3.037  22.560   0.885
  845    HG3  GLN 110           HG3      GLN 110   2.552  20.898   0.524
  846   HE21  GLN 110          HE22      GLN 110   3.401  19.869  -1.422
  847   HE22  GLN 110          HE21      GLN 110   4.862  20.497  -2.167
  848    H    GLU 111           H        GLU 111  -1.250  20.606  -0.861
  849    HA   GLU 111           HA       GLU 111  -0.312  17.988  -0.205
  850    HB2  GLU 111           HB2      GLU 111  -3.066  19.193  -0.652
  851    HB3  GLU 111           HB3      GLU 111  -2.869  17.476  -0.312
  852    HG2  GLU 111           HG2      GLU 111  -1.757  19.639   1.517
  853    HG3  GLU 111           HG3      GLU 111  -3.368  18.939   1.690
  854    H    ALA 112           H        ALA 112  -1.951  19.239  -3.182
  855    HA   ALA 112           HA       ALA 112  -2.101  16.691  -4.450
  856    HB1  ALA 112           HB1      ALA 112  -2.312  18.019  -6.533
  857    HB2  ALA 112           HB2      ALA 112  -3.340  18.644  -5.227
  858    HB3  ALA 112           HB3      ALA 112  -1.829  19.482  -5.642
  859    H    ILE 113           H        ILE 113   0.491  19.167  -4.391
  860    HA   ILE 113           HA       ILE 113   2.268  17.829  -6.187
  861    HB   ILE 113           HB       ILE 113   2.647  19.847  -3.964
  862   HG12  ILE 113          HG12      ILE 113   3.043  20.233  -6.952
  863   HG13  ILE 113          HG13      ILE 113   1.440  20.351  -6.238
  864   HG21  ILE 113          HG21      ILE 113   4.782  18.790  -5.867
  865   HG22  ILE 113          HG22      ILE 113   4.963  20.237  -4.854
  866   HG23  ILE 113          HG23      ILE 113   4.771  18.662  -4.094
  867   HD11  ILE 113          HD11      ILE 113   2.202  22.116  -4.702
  868   HD12  ILE 113          HD12      ILE 113   3.813  22.060  -5.451
  869   HD13  ILE 113          HD13      ILE 113   2.402  22.559  -6.410
  870    H    ALA 114           H        ALA 114   2.034  17.714  -2.568
  871    HA   ALA 114           HA       ALA 114   4.189  15.929  -2.193
  872    HB1  ALA 114           HB1      ALA 114   1.666  16.295  -0.509
  873    HB2  ALA 114           HB2      ALA 114   3.166  15.501   0.010
  874    HB3  ALA 114           HB3      ALA 114   3.170  17.236  -0.360
  875    H    ASP 115           H        ASP 115   0.672  15.312  -2.635
  876    HA   ASP 115           HA       ASP 115   0.813  12.495  -2.385
  877    HB2  ASP 115           HB2      ASP 115  -1.249  13.842  -2.212
  878    HB3  ASP 115           HB3      ASP 115  -1.176  14.164  -3.951
  879    H    TRP 116           H        TRP 116   1.191  14.614  -5.252
  880    HA   TRP 116           HA       TRP 116   1.373  12.467  -7.159
  881    HB2  TRP 116           HB2      TRP 116   0.899  14.720  -7.909
  882    HB3  TRP 116           HB3      TRP 116   2.391  15.335  -7.195
  883    HD1  TRP 116           HD1      TRP 116   4.459  15.381  -8.705
  884    HE1  TRP 116           HE1      TRP 116   5.212  14.281 -10.887
  885    HE3  TRP 116           HE3      TRP 116   0.355  12.451  -9.580
  886    HZ2  TRP 116           HZ2      TRP 116   4.200  12.299 -12.740
  887    HZ3  TRP 116           HZ3      TRP 116   0.283  10.960 -11.558
  888    HH2  TRP 116           HH2      TRP 116   2.189  10.869 -13.133
  889    H    LEU 117           H        LEU 117   3.794  14.183  -5.105
  890    HA   LEU 117           HA       LEU 117   6.047  12.870  -6.298
  891    HB2  LEU 117           HB2      LEU 117   5.656  14.259  -3.628
  892    HB3  LEU 117           HB3      LEU 117   7.199  13.578  -4.124
  893    HG   LEU 117           HG       LEU 117   5.724  15.655  -5.804
  894   HD11  LEU 117          HD11      LEU 117   6.206  16.595  -3.590
  895   HD12  LEU 117          HD12      LEU 117   7.909  16.098  -3.729
  896   HD13  LEU 117          HD13      LEU 117   7.237  17.327  -4.828
  897   HD21  LEU 117          HD21      LEU 117   7.394  14.395  -7.074
  898   HD22  LEU 117          HD22      LEU 117   7.958  16.041  -6.791
  899   HD23  LEU 117          HD23      LEU 117   8.618  14.705  -5.823
  900    H    TYR 118           H        TYR 118   3.909  11.955  -3.532
  901    HA   TYR 118           HA       TYR 118   5.398   9.624  -2.800
  902    HB2  TYR 118           HB2      TYR 118   2.369   9.860  -2.822
  903    HB3  TYR 118           HB3      TYR 118   3.333   8.761  -1.865
  904    HD1  TYR 118           HD2      TYR 118   5.410  10.948  -0.876
  905    HD2  TYR 118           HD1      TYR 118   1.101  10.725  -1.041
  906    HE1  TYR 118           HE2      TYR 118   5.258  12.544   1.000
  907    HE2  TYR 118           HE1      TYR 118   0.938  12.379   0.777
  908    HH   TYR 118           HH       TYR 118   3.850  13.735   2.414
  909    H    TRP 119           H        TRP 119   2.789  10.103  -5.262
  910    HA   TRP 119           HA       TRP 119   2.760   7.395  -6.143
  911    HB2  TRP 119           HB2      TRP 119   0.930   8.739  -6.719
  912    HB3  TRP 119           HB3      TRP 119   1.938  10.028  -7.380
  913    HD1  TRP 119           HD1      TRP 119   2.574   9.944  -9.843
  914    HE1  TRP 119           HE1      TRP 119   2.264   8.323 -11.788
  915    HE3  TRP 119           HE3      TRP 119   0.753   5.943  -7.232
  916    HZ2  TRP 119           HZ2      TRP 119   1.505   5.570 -12.138
  917    HZ3  TRP 119           HZ3      TRP 119   0.388   3.773  -8.376
  918    HH2  TRP 119           HH2      TRP 119   0.783   3.558 -10.813
  919    H    LEU 120           H        LEU 120   4.685  10.239  -7.317
  920    HA   LEU 120           HA       LEU 120   5.944   8.954  -9.454
  921    HB2  LEU 120           HB2      LEU 120   5.979  11.401  -8.929
  922    HB3  LEU 120           HB3      LEU 120   7.006  11.069  -7.536
  923    HG   LEU 120           HG       LEU 120   8.748  10.121  -9.145
  924   HD11  LEU 120          HD11      LEU 120   6.914  11.438 -11.205
  925   HD12  LEU 120          HD12      LEU 120   8.568  10.867 -11.512
  926   HD13  LEU 120          HD13      LEU 120   7.299   9.707 -11.103
  927   HD21  LEU 120          HD21      LEU 120   8.950  12.326  -8.126
  928   HD22  LEU 120          HD22      LEU 120   9.516  12.381  -9.800
  929   HD23  LEU 120          HD23      LEU 120   7.910  13.033  -9.377
  930    H    ALA 121           H        ALA 121   6.933   9.183  -6.006
  931    HA   ALA 121           HA       ALA 121   9.300   7.591  -6.281
  932    HB1  ALA 121           HB1      ALA 121   8.884   9.221  -4.433
  933    HB2  ALA 121           HB2      ALA 121   7.554   8.189  -3.848
  934    HB3  ALA 121           HB3      ALA 121   9.228   7.597  -3.802
  935    H    ARG 122           H        ARG 122   5.948   6.678  -6.187
  936    HA   ARG 122           HA       ARG 122   6.101   4.367  -4.627
  937    HB2  ARG 122           HB2      ARG 122   4.015   5.555  -5.582
  938    HB3  ARG 122           HB3      ARG 122   4.303   4.660  -7.071
  939    HG2  ARG 122           HG2      ARG 122   2.671   3.425  -5.887
  940    HG3  ARG 122           HG3      ARG 122   4.158   2.514  -5.713
  941    HD2  ARG 122           HD2      ARG 122   3.149   2.542  -3.542
  942    HD3  ARG 122           HD3      ARG 122   4.484   3.669  -3.440
  943    HE   ARG 122           HE       ARG 122   3.008   5.473  -3.311
  944   HH11  ARG 122          HH11      ARG 122   1.234   2.454  -3.897
  945   HH12  ARG 122          HH12      ARG 122  -0.332   3.144  -3.594
  946   HH21  ARG 122          HH21      ARG 122   0.850   6.415  -3.025
  947   HH22  ARG 122          HH22      ARG 122  -0.520   5.321  -3.037
  948    H    GLY 123           H        GLY 123   6.980   4.787  -8.007
  949    HA2  GLY 123           HA2      GLY 123   8.510   2.931  -8.867
  950    HA3  GLY 123           HA3      GLY 123   7.214   1.824  -8.376
  951    H    TYR 124           H        TYR 124   5.516   4.499  -9.307
  952    HA   TYR 124           HA       TYR 124   4.377   5.160 -11.059
  953    HB2  TYR 124           HB2      TYR 124   7.009   5.573 -11.482
  954    HB3  TYR 124           HB3      TYR 124   6.682   4.602 -12.902
  955    HD1  TYR 124           HD2      TYR 124   5.269   7.387 -10.876
  956    HD2  TYR 124           HD1      TYR 124   5.893   5.809 -14.842
  957    HE1  TYR 124           HE2      TYR 124   4.425   9.506 -11.831
  958    HE2  TYR 124           HE1      TYR 124   4.995   7.889 -15.824
  959    HH   TYR 124           HH       TYR 124   4.192   9.952 -15.436
  960    H    LYS 125           H        LYS 125   4.913   4.298 -13.879
  961    HA   LYS 125           HA       LYS 125   4.163   2.997 -15.480
  962    HB2  LYS 125           HB2      LYS 125   4.376   0.743 -13.489
  963    HB3  LYS 125           HB3      LYS 125   4.388   0.610 -15.256
  964    HG2  LYS 125           HG2      LYS 125   6.508   1.921 -15.321
  965    HG3  LYS 125           HG3      LYS 125   6.494   1.999 -13.557
  966    HD2  LYS 125           HD2      LYS 125   6.460  -0.589 -13.576
  967    HD3  LYS 125           HD3      LYS 125   6.824  -0.459 -15.302
  968    HE2  LYS 125           HE2      LYS 125   8.939  -0.700 -14.269
  969    HE3  LYS 125           HE3      LYS 125   8.815   1.019 -14.650
  970    HZ1  LYS 125           HZ1      LYS 125   9.632   0.748 -12.428
  971    HZ2  LYS 125           HZ2      LYS 125   8.112   1.343 -12.273
  972    HZ3  LYS 125           HZ3      LYS 125   8.412  -0.239 -11.998
  973    H    PHE 126           H        PHE 126   2.258   4.120 -13.451
  974    HA   PHE 126           HA       PHE 126   0.027   4.068 -12.871
  975    HB2  PHE 126           HB2      PHE 126  -0.152   3.712 -15.861
  976    HB3  PHE 126           HB3      PHE 126  -1.422   4.301 -14.805
  977    HD1  PHE 126           HD1      PHE 126  -0.885   6.423 -13.350
  978    HD2  PHE 126           HD2      PHE 126   1.305   5.279 -16.886
  979    HE1  PHE 126           HE1      PHE 126  -0.057   8.752 -13.600
  980    HE2  PHE 126           HE2      PHE 126   2.108   7.611 -17.139
  981    HZ   PHE 126           HZ       PHE 126   1.441   9.349 -15.490
  Start of MODEL   12
    1    H1   MET   1           H1       MET   1  13.441   2.350  -2.405
    2    H2   MET   1           H2       MET   1  14.084   3.037  -1.073
    3    H3   MET   1           H3       MET   1  14.140   1.405  -1.266
    4    HA   MET   1           HA       MET   1  11.739   1.265  -1.134
    5    HB2  MET   1           HB2      MET   1  13.054   2.699   1.223
    6    HB3  MET   1           HB3      MET   1  11.432   2.007   1.258
    7    HG2  MET   1           HG2      MET   1  12.359  -0.231   0.737
    8    HG3  MET   1           HG3      MET   1  13.994   0.444   0.776
    9    HE1  MET   1           HE1      MET   1  13.075  -2.103   2.448
   10    HE2  MET   1           HE2      MET   1  14.723  -1.433   2.485
   11    HE3  MET   1           HE3      MET   1  13.866  -1.773   4.004
   12    H    ALA   2           H        ALA   2   9.749   2.284  -1.293
   13    HA   ALA   2           HA       ALA   2   9.615   4.811  -2.513
   14    HB1  ALA   2           HB1      ALA   2   7.914   3.020  -2.718
   15    HB2  ALA   2           HB2      ALA   2   7.392   3.342  -1.043
   16    HB3  ALA   2           HB3      ALA   2   7.211   4.589  -2.298
   17    H    SER   3           H        SER   3   9.524   4.034   0.928
   18    HA   SER   3           HA       SER   3   9.563   5.307   2.772
   19    HB2  SER   3           HB2      SER   3  10.803   7.405   0.955
   20    HB3  SER   3           HB3      SER   3  11.012   7.241   2.705
   21    HG   SER   3           HG       SER   3  11.883   5.472   0.653
   22    H    VAL   4           H        VAL   4   7.076   5.512   1.133
   23    HA   VAL   4           HA       VAL   4   6.043   8.057   2.294
   24    HB   VAL   4           HB       VAL   4   5.883   8.344   0.014
   25   HG11  VAL   4          HG11      VAL   4   4.815   6.848  -1.613
   26   HG12  VAL   4          HG12      VAL   4   6.295   6.187  -0.956
   27   HG13  VAL   4          HG13      VAL   4   4.727   5.560  -0.392
   28   HG21  VAL   4          HG21      VAL   4   3.850   8.889   1.325
   29   HG22  VAL   4          HG22      VAL   4   3.509   8.525  -0.361
   30   HG23  VAL   4          HG23      VAL   4   3.150   7.313   0.858
   31    H    GLU   5           H        GLU   5   5.250   7.560   4.230
   32    HA   GLU   5           HA       GLU   5   4.075   5.033   4.891
   33    HB2  GLU   5           HB2      GLU   5   3.535   6.060   7.015
   34    HB3  GLU   5           HB3      GLU   5   5.177   6.477   6.529
   35    HG2  GLU   5           HG2      GLU   5   4.347   8.717   5.749
   36    HG3  GLU   5           HG3      GLU   5   2.731   8.293   6.315
   37    H    ARG   6           H        ARG   6   2.750   7.909   3.407
   38    HA   ARG   6           HA       ARG   6  -0.043   7.339   4.034
   39    HB2  ARG   6           HB2      ARG   6   1.210   9.215   1.971
   40    HB3  ARG   6           HB3      ARG   6  -0.508   9.150   2.383
   41    HG2  ARG   6           HG2      ARG   6   0.025   9.737   4.744
   42    HG3  ARG   6           HG3      ARG   6   1.734   9.834   4.306
   43    HD2  ARG   6           HD2      ARG   6   0.955  12.069   4.312
   44    HD3  ARG   6           HD3      ARG   6   1.140  11.605   2.612
   45    HE   ARG   6           HE       ARG   6  -1.547  11.168   3.521
   46   HH11  ARG   6          HH11      ARG   6   0.658  13.802   2.506
   47   HH12  ARG   6          HH12      ARG   6  -0.639  14.930   2.209
   48   HH21  ARG   6          HH21      ARG   6  -3.239  12.705   3.026
   49   HH22  ARG   6          HH22      ARG   6  -2.818  14.290   2.438
   50    H    ASP   7           H        ASP   7   1.949   5.493   2.275
   51    HA   ASP   7           HA       ASP   7   0.995   5.321  -0.302
   52    HB2  ASP   7           HB2      ASP   7   2.913   4.049   0.433
   53    HB3  ASP   7           HB3      ASP   7   1.904   3.060   1.499
   54    H    GLU   8           H        GLU   8  -0.435   3.639   2.496
   55    HA   GLU   8           HA       GLU   8  -2.475   2.343   0.923
   56    HB2  GLU   8           HB2      GLU   8  -2.236   2.960   3.904
   57    HB3  GLU   8           HB3      GLU   8  -3.599   2.067   3.235
   58    HG2  GLU   8           HG2      GLU   8  -0.697   1.178   2.930
   59    HG3  GLU   8           HG3      GLU   8  -1.759   0.657   4.230
   60    H    THR   9           H        THR   9  -2.429   5.384   2.786
   61    HA   THR   9           HA       THR   9  -5.105   6.200   2.456
   62    HB   THR   9           HB       THR   9  -2.650   7.968   2.366
   63    HG1  THR   9           HG1      THR   9  -3.745   6.689   4.645
   64   HG21  THR   9          HG21      THR   9  -3.878   9.536   3.711
   65   HG22  THR   9          HG22      THR   9  -4.767   9.177   2.224
   66   HG23  THR   9          HG23      THR   9  -5.294   8.446   3.757
   67    H    ARG  10           H        ARG  10  -2.271   6.340   0.270
   68    HA   ARG  10           HA       ARG  10  -3.711   8.074  -1.613
   69    HB2  ARG  10           HB2      ARG  10  -0.940   6.781  -1.744
   70    HB3  ARG  10           HB3      ARG  10  -1.626   7.813  -2.980
   71    HG2  ARG  10           HG2      ARG  10  -0.591   8.590  -0.300
   72    HG3  ARG  10           HG3      ARG  10  -0.277   9.278  -1.881
   73    HD2  ARG  10           HD2      ARG  10  -2.795   9.581  -0.215
   74    HD3  ARG  10           HD3      ARG  10  -1.555  10.818  -0.489
   75    HE   ARG  10           HE       ARG  10  -2.271  10.452  -2.993
   76   HH11  ARG  10          HH11      ARG  10  -4.351  10.852  -0.133
   77   HH12  ARG  10          HH12      ARG  10  -5.602  11.669  -0.989
   78   HH21  ARG  10          HH21      ARG  10  -3.919  11.571  -4.116
   79   HH22  ARG  10          HH22      ARG  10  -5.410  11.966  -3.328
   80    H    GLU  11           H        GLU  11  -2.587   4.641  -1.584
   81    HA   GLU  11           HA       GLU  11  -3.363   4.056  -4.209
   82    HB2  GLU  11           HB2      GLU  11  -3.339   2.390  -1.668
   83    HB3  GLU  11           HB3      GLU  11  -3.767   1.680  -3.222
   84    HG2  GLU  11           HG2      GLU  11  -1.167   3.211  -2.908
   85    HG3  GLU  11           HG3      GLU  11  -1.313   1.540  -2.368
   86    H    HIS  12           H        HIS  12  -5.388   4.063  -1.238
   87    HA   HIS  12           HA       HIS  12  -7.808   3.282  -2.539
   88    HB2  HIS  12           HB2      HIS  12  -7.509   3.286  -0.097
   89    HB3  HIS  12           HB3      HIS  12  -7.402   5.042  -0.085
   90    HD1  HIS  12           HD1      HIS  12 -10.156   5.114  -2.264
   91    HD2  HIS  12           HD2      HIS  12  -9.592   3.519   1.613
   92    HE1  HIS  12           HE1      HIS  12 -12.436   4.997  -1.199
   93    H    ARG  13           H        ARG  13  -6.694   6.651  -1.639
   94    HA   ARG  13           HA       ARG  13  -8.999   7.831  -2.815
   95    HB2  ARG  13           HB2      ARG  13  -6.252   8.957  -2.140
   96    HB3  ARG  13           HB3      ARG  13  -7.571   9.969  -2.712
   97    HG2  ARG  13           HG2      ARG  13  -7.768   8.220  -0.220
   98    HG3  ARG  13           HG3      ARG  13  -7.220   9.883  -0.190
   99    HD2  ARG  13           HD2      ARG  13  -9.970   8.930  -1.100
  100    HD3  ARG  13           HD3      ARG  13  -9.603   9.671   0.450
  101    HE   ARG  13           HE       ARG  13 -10.225  11.010  -1.977
  102   HH11  ARG  13          HH11      ARG  13  -8.280  11.459   0.965
  103   HH12  ARG  13          HH12      ARG  13  -8.142  13.164   0.754
  104   HH21  ARG  13          HH21      ARG  13  -9.957  13.188  -2.322
  105   HH22  ARG  13          HH22      ARG  13  -9.138  14.185  -1.154
  106    H    ILE  14           H        ILE  14  -5.784   7.204  -4.251
  107    HA   ILE  14           HA       ILE  14  -6.201   8.641  -6.661
  108    HB   ILE  14           HB       ILE  14  -4.501   6.248  -5.881
  109   HG12  ILE  14          HG12      ILE  14  -3.624   9.064  -6.649
  110   HG13  ILE  14          HG13      ILE  14  -4.112   8.681  -5.004
  111   HG21  ILE  14          HG21      ILE  14  -4.488   7.664  -8.575
  112   HG22  ILE  14          HG22      ILE  14  -3.246   6.527  -8.007
  113   HG23  ILE  14          HG23      ILE  14  -4.899   5.959  -8.248
  114   HD11  ILE  14          HD11      ILE  14  -1.760   8.569  -5.055
  115   HD12  ILE  14          HD12      ILE  14  -2.335   6.899  -4.943
  116   HD13  ILE  14          HD13      ILE  14  -1.747   7.525  -6.495
  117    H    GLU  15           H        GLU  15  -6.765   5.176  -5.846
  118    HA   GLU  15           HA       GLU  15  -7.805   4.469  -8.335
  119    HB2  GLU  15           HB2      GLU  15  -7.014   2.850  -6.715
  120    HB3  GLU  15           HB3      GLU  15  -8.290   3.287  -5.566
  121    HG2  GLU  15           HG2      GLU  15 -10.008   2.417  -7.043
  122    HG3  GLU  15           HG3      GLU  15  -8.820   2.111  -8.319
  123    H    THR  16           H        THR  16  -9.576   5.681  -5.411
  124    HA   THR  16           HA       THR  16 -12.110   5.313  -6.824
  125    HB   THR  16           HB       THR  16 -13.083   5.912  -4.612
  126    HG1  THR  16           HG1      THR  16 -11.545   7.185  -3.672
  127   HG21  THR  16          HG21      THR  16 -12.405   3.876  -3.484
  128   HG22  THR  16          HG22      THR  16 -12.500   3.561  -5.222
  129   HG23  THR  16          HG23      THR  16 -10.915   3.772  -4.446
  130    H    GLU  17           H        GLU  17  -9.962   7.935  -6.644
  131    HA   GLU  17           HA       GLU  17 -12.173   9.853  -7.226
  132    HB2  GLU  17           HB2      GLU  17 -11.036   9.715  -4.847
  133    HB3  GLU  17           HB3      GLU  17  -9.740  10.629  -5.628
  134    HG2  GLU  17           HG2      GLU  17 -11.394  12.391  -6.242
  135    HG3  GLU  17           HG3      GLU  17 -12.662  11.459  -5.437
  136    H    ILE  18           H        ILE  18  -8.947   8.800  -8.201
  137    HA   ILE  18           HA       ILE  18  -8.655  11.296  -9.828
  138    HB   ILE  18           HB       ILE  18  -6.487   9.461  -8.753
  139   HG12  ILE  18          HG12      ILE  18  -7.575  12.138  -7.784
  140   HG13  ILE  18          HG13      ILE  18  -7.545  10.620  -6.897
  141   HG21  ILE  18          HG21      ILE  18  -5.877  10.607 -10.877
  142   HG22  ILE  18          HG22      ILE  18  -6.268  12.167 -10.128
  143   HG23  ILE  18          HG23      ILE  18  -4.924  11.174  -9.520
  144   HD11  ILE  18          HD11      ILE  18  -5.042  10.741  -6.861
  145   HD12  ILE  18          HD12      ILE  18  -5.159  12.371  -7.561
  146   HD13  ILE  18          HD13      ILE  18  -5.871  12.033  -5.977
  147    H    ILE  19           H        ILE  19  -8.094   7.714  -9.923
  148    HA   ILE  19           HA       ILE  19  -8.325   7.889 -12.897
  149    HB   ILE  19           HB       ILE  19  -6.971   5.906 -12.992
  150   HG12  ILE  19          HG12      ILE  19  -6.491   6.328 -10.008
  151   HG13  ILE  19          HG13      ILE  19  -7.510   5.046 -10.691
  152   HG21  ILE  19          HG21      ILE  19  -4.876   7.070 -12.687
  153   HG22  ILE  19          HG22      ILE  19  -6.080   8.242 -13.210
  154   HG23  ILE  19          HG23      ILE  19  -5.589   8.181 -11.504
  155   HD11  ILE  19          HD11      ILE  19  -5.539   4.286 -12.017
  156   HD12  ILE  19          HD12      ILE  19  -4.547   5.460 -11.106
  157   HD13  ILE  19          HD13      ILE  19  -5.355   4.129 -10.244
  158    H    VAL  20           H        VAL  20 -10.383   7.421 -10.553
  159    HA   VAL  20           HA       VAL  20 -11.485   4.891 -10.797
  160    HB   VAL  20           HB       VAL  20 -12.016   6.631  -9.144
  161   HG11  VAL  20          HG11      VAL  20 -12.320   8.604 -10.592
  162   HG12  VAL  20          HG12      VAL  20 -13.838   7.907 -11.205
  163   HG13  VAL  20          HG13      VAL  20 -13.680   8.347  -9.497
  164   HG21  VAL  20          HG21      VAL  20 -13.439   4.637  -9.349
  165   HG22  VAL  20          HG22      VAL  20 -14.347   6.051  -8.788
  166   HG23  VAL  20          HG23      VAL  20 -14.504   5.511 -10.473
  167    H    ASP  21           H        ASP  21 -11.869   7.646 -13.021
  168    HA   ASP  21           HA       ASP  21 -13.915   6.277 -14.618
  169    HB2  ASP  21           HB2      ASP  21 -13.984   8.709 -14.147
  170    HB3  ASP  21           HB3      ASP  21 -12.453   8.917 -14.998
  171    H    ALA  22           H        ALA  22 -10.535   6.071 -14.453
  172    HA   ALA  22           HA       ALA  22  -9.962   6.157 -17.322
  173    HB1  ALA  22           HB1      ALA  22  -8.343   6.999 -15.599
  174    HB2  ALA  22           HB2      ALA  22  -8.181   5.328 -14.993
  175    HB3  ALA  22           HB3      ALA  22  -7.674   5.728 -16.636
  176    H    GLU  23           H        GLU  23  -8.576   4.279 -18.186
  177    HA   GLU  23           HA       GLU  23  -9.530   1.602 -17.314
  178    HB2  GLU  23           HB2      GLU  23  -9.706   2.711 -20.151
  179    HB3  GLU  23           HB3      GLU  23  -9.904   1.011 -19.712
  180    HG2  GLU  23           HG2      GLU  23 -11.835   1.644 -18.245
  181    HG3  GLU  23           HG3      GLU  23 -11.692   3.309 -18.818
  182    H    ASP  24           H        ASP  24  -7.235   3.520 -19.374
  183    HA   ASP  24           HA       ASP  24  -5.152   1.462 -18.921
  184    HB2  ASP  24           HB2      ASP  24  -6.418   1.122 -21.140
  185    HB3  ASP  24           HB3      ASP  24  -5.697   2.670 -21.631
  186    H    LYS  25           H        LYS  25  -3.035   2.412 -19.891
  187    HA   LYS  25           HA       LYS  25  -2.300   4.382 -18.146
  188    HB2  LYS  25           HB2      LYS  25  -0.191   4.491 -19.108
  189    HB3  LYS  25           HB3      LYS  25  -0.735   2.841 -19.299
  190    HG2  LYS  25           HG2      LYS  25  -0.695   4.981 -21.486
  191    HG3  LYS  25           HG3      LYS  25   0.583   3.825 -21.201
  192    HD2  LYS  25           HD2      LYS  25  -2.239   3.047 -22.028
  193    HD3  LYS  25           HD3      LYS  25  -0.873   3.262 -23.122
  194    HE2  LYS  25           HE2      LYS  25   0.399   1.493 -21.949
  195    HE3  LYS  25           HE3      LYS  25  -0.950   1.255 -20.827
  196    HZ1  LYS  25           HZ1      LYS  25  -2.329   0.589 -22.681
  197    HZ2  LYS  25           HZ2      LYS  25  -1.085   0.786 -23.746
  198    HZ3  LYS  25           HZ3      LYS  25  -1.001  -0.367 -22.592
  199    H    GLU  26           H        GLU  26  -3.467   5.096 -21.428
  200    HA   GLU  26           HA       GLU  26  -2.599   7.872 -21.347
  201    HB2  GLU  26           HB2      GLU  26  -4.644   6.397 -23.069
  202    HB3  GLU  26           HB3      GLU  26  -4.197   8.094 -23.288
  203    HG2  GLU  26           HG2      GLU  26  -1.825   7.423 -23.639
  204    HG3  GLU  26           HG3      GLU  26  -2.282   5.727 -23.478
  205    H    GLU  27           H        GLU  27  -5.629   6.100 -20.621
  206    HA   GLU  27           HA       GLU  27  -7.173   8.474 -20.024
  207    HB2  GLU  27           HB2      GLU  27  -7.625   5.596 -19.137
  208    HB3  GLU  27           HB3      GLU  27  -8.811   6.897 -19.139
  209    HG2  GLU  27           HG2      GLU  27  -7.535   5.566 -21.562
  210    HG3  GLU  27           HG3      GLU  27  -9.192   5.384 -21.006
  211    H    ARG  28           H        ARG  28  -5.094   6.248 -18.155
  212    HA   ARG  28           HA       ARG  28  -5.856   7.299 -15.567
  213    HB2  ARG  28           HB2      ARG  28  -3.351   5.814 -16.464
  214    HB3  ARG  28           HB3      ARG  28  -3.784   6.147 -14.783
  215    HG2  ARG  28           HG2      ARG  28  -5.748   4.738 -14.901
  216    HG3  ARG  28           HG3      ARG  28  -5.597   4.561 -16.645
  217    HD2  ARG  28           HD2      ARG  28  -3.244   3.531 -16.098
  218    HD3  ARG  28           HD3      ARG  28  -3.935   3.314 -14.476
  219    HE   ARG  28           HE       ARG  28  -5.811   2.313 -16.313
  220   HH11  ARG  28          HH21      ARG  28  -2.542   1.530 -15.187
  221   HH12  ARG  28          HH22      ARG  28  -2.638  -0.141 -15.618
  222   HH21  ARG  28          HH12      ARG  28  -5.920   0.116 -16.980
  223   HH22  ARG  28          HH11      ARG  28  -4.628  -0.974 -16.605
  224    H    ALA  29           H        ALA  29  -3.178   8.081 -17.858
  225    HA   ALA  29           HA       ALA  29  -2.020  10.136 -16.289
  226    HB1  ALA  29           HB1      ALA  29  -2.222   9.916 -19.327
  227    HB2  ALA  29           HB2      ALA  29  -1.068  10.913 -18.414
  228    HB3  ALA  29           HB3      ALA  29  -0.980   9.147 -18.316
  229    H    MET  30           H        MET  30  -4.775  10.214 -18.651
  230    HA   MET  30           HA       MET  30  -5.254  13.021 -18.340
  231    HB2  MET  30           HB2      MET  30  -7.072  10.773 -19.225
  232    HB3  MET  30           HB3      MET  30  -7.537  12.472 -19.215
  233    HG2  MET  30           HG2      MET  30  -5.195  11.328 -20.788
  234    HG3  MET  30           HG3      MET  30  -6.788  11.692 -21.422
  235    HE1  MET  30           HE1      MET  30  -3.320  12.786 -20.664
  236    HE2  MET  30           HE2      MET  30  -3.274  14.534 -20.974
  237    HE3  MET  30           HE3      MET  30  -3.795  13.935 -19.403
  238    H    GLY  31           H        GLY  31  -6.480  10.220 -16.462
  239    HA2  GLY  31           HA2      GLY  31  -8.309  11.589 -14.823
  240    HA3  GLY  31           HA3      GLY  31  -7.350  10.171 -14.353
  241    H    TRP  32           H        TRP  32  -4.776  11.019 -14.270
  242    HA   TRP  32           HA       TRP  32  -4.525  12.600 -11.927
  243    HB2  TRP  32           HB2      TRP  32  -2.596  11.752 -14.112
  244    HB3  TRP  32           HB3      TRP  32  -2.102  12.857 -12.843
  245    HD1  TRP  32           HD1      TRP  32  -2.555   9.203 -13.465
  246    HE1  TRP  32           HE1      TRP  32  -1.873   7.884 -11.390
  247    HE3  TRP  32           HE3      TRP  32  -2.251  13.079 -10.146
  248    HZ2  TRP  32           HZ2      TRP  32  -1.400   8.438  -8.572
  249    HZ3  TRP  32           HZ3      TRP  32  -1.651  12.661  -7.776
  250    HH2  TRP  32           HH2      TRP  32  -1.223  10.348  -6.980
  251    H    TYR  33           H        TYR  33  -4.106  13.504 -15.394
  252    HA   TYR  33           HA       TYR  33  -3.205  16.128 -14.944
  253    HB2  TYR  33           HB2      TYR  33  -2.884  15.123 -17.066
  254    HB3  TYR  33           HB3      TYR  33  -4.571  14.686 -17.205
  255    HD1  TYR  33           HD1      TYR  33  -2.740  17.963 -16.693
  256    HD2  TYR  33           HD2      TYR  33  -5.676  15.721 -18.910
  257    HE1  TYR  33           HE1      TYR  33  -3.279  19.977 -18.024
  258    HE2  TYR  33           HE2      TYR  33  -6.255  17.736 -20.203
  259    HH   TYR  33           HH       TYR  33  -5.801  19.998 -20.578
  260    H    TYR  34           H        TYR  34  -6.597  14.923 -15.450
  261    HA   TYR  34           HA       TYR  34  -7.748  17.546 -15.461
  262    HB2  TYR  34           HB2      TYR  34  -8.974  14.856 -14.739
  263    HB3  TYR  34           HB3      TYR  34  -9.865  16.328 -15.083
  264    HD1  TYR  34           HD1      TYR  34  -7.615  16.753 -17.617
  265    HD2  TYR  34           HD2      TYR  34 -10.562  13.852 -16.348
  266    HE1  TYR  34           HE1      TYR  34  -7.956  16.058 -19.960
  267    HE2  TYR  34           HE2      TYR  34 -10.882  13.143 -18.693
  268    HH   TYR  34           HH       TYR  34 -10.264  13.482 -20.917
  269    H    TYR  35           H        TYR  35  -7.248  15.074 -12.867
  270    HA   TYR  35           HA       TYR  35  -8.682  16.474 -10.857
  271    HB2  TYR  35           HB2      TYR  35  -8.006  14.067 -10.847
  272    HB3  TYR  35           HB3      TYR  35  -6.337  14.550 -10.588
  273    HD1  TYR  35           HD2      TYR  35  -9.738  14.390  -9.087
  274    HD2  TYR  35           HD1      TYR  35  -5.565  15.215  -8.376
  275    HE1  TYR  35           HE2      TYR  35 -10.126  14.243  -6.651
  276    HE2  TYR  35           HE1      TYR  35  -5.945  15.082  -5.936
  277    HH   TYR  35           HH       TYR  35  -9.138  14.148  -4.551
  278    H    LEU  36           H        LEU  36  -5.185  16.541 -11.750
  279    HA   LEU  36           HA       LEU  36  -4.426  18.363  -9.658
  280    HB2  LEU  36           HB2      LEU  36  -3.179  17.225 -12.149
  281    HB3  LEU  36           HB3      LEU  36  -2.516  18.724 -11.544
  282    HG   LEU  36           HG       LEU  36  -1.870  17.814  -9.461
  283   HD11  LEU  36          HD11      LEU  36  -3.410  15.281 -10.145
  284   HD12  LEU  36          HD12      LEU  36  -2.240  15.431  -8.812
  285   HD13  LEU  36          HD13      LEU  36  -3.705  16.406  -8.797
  286   HD21  LEU  36          HD21      LEU  36  -1.321  15.675 -11.568
  287   HD22  LEU  36          HD22      LEU  36  -0.496  17.241 -11.499
  288   HD23  LEU  36          HD23      LEU  36  -0.303  16.082 -10.169
  289    H    ASP  37           H        ASP  37  -5.310  18.845 -13.155
  290    HA   ASP  37           HA       ASP  37  -4.891  21.646 -13.111
  291    HB2  ASP  37           HB2      ASP  37  -5.192  20.356 -15.193
  292    HB3  ASP  37           HB3      ASP  37  -6.861  19.999 -14.744
  293    H    ASP  38           H        ASP  38  -7.694  19.713 -12.045
  294    HA   ASP  38           HA       ASP  38  -9.406  22.015 -11.631
  295    HB2  ASP  38           HB2      ASP  38 -10.299  19.766 -12.051
  296    HB3  ASP  38           HB3      ASP  38  -9.540  19.164 -10.575
  297    H    THR  39           H        THR  39  -6.867  20.465  -9.736
  298    HA   THR  39           HA       THR  39  -7.989  21.520  -7.190
  299    HB   THR  39           HB       THR  39  -5.629  19.688  -7.794
  300    HG1  THR  39           HG1      THR  39  -7.445  18.636  -8.242
  301   HG21  THR  39          HG21      THR  39  -5.892  19.141  -5.300
  302   HG22  THR  39          HG22      THR  39  -5.171  20.715  -5.683
  303   HG23  THR  39          HG23      THR  39  -6.862  20.625  -5.182
  304    H    LEU  40           H        LEU  40  -5.022  21.808  -9.184
  305    HA   LEU  40           HA       LEU  40  -3.520  23.257  -7.244
  306    HB2  LEU  40           HB2      LEU  40  -3.277  22.991 -10.261
  307    HB3  LEU  40           HB3      LEU  40  -2.041  23.726  -9.253
  308    HG   LEU  40           HG       LEU  40  -2.973  20.841  -8.873
  309   HD11  LEU  40          HD11      LEU  40  -2.053  21.115 -11.156
  310   HD12  LEU  40          HD12      LEU  40  -0.575  21.834 -10.473
  311   HD13  LEU  40          HD13      LEU  40  -0.982  20.140 -10.141
  312   HD21  LEU  40          HD21      LEU  40  -1.810  21.701  -6.948
  313   HD22  LEU  40          HD22      LEU  40  -0.828  20.505  -7.782
  314   HD23  LEU  40          HD23      LEU  40  -0.441  22.229  -7.960
  315    H    GLU  41           H        GLU  41  -3.755  25.343  -6.620
  316    HA   GLU  41           HA       GLU  41  -5.657  27.044  -8.033
  317    HB2  GLU  41           HB2      GLU  41  -4.130  27.483  -5.436
  318    HB3  GLU  41           HB3      GLU  41  -5.345  28.574  -6.131
  319    HG2  GLU  41           HG2      GLU  41  -6.968  26.620  -6.122
  320    HG3  GLU  41           HG3      GLU  41  -5.802  25.737  -5.137
  321    H    PHE  42           H        PHE  42  -4.077  26.894  -9.932
  322    HA   PHE  42           HA       PHE  42  -1.717  28.436 -10.037
  323    HB2  PHE  42           HB2      PHE  42  -3.755  27.988 -12.252
  324    HB3  PHE  42           HB3      PHE  42  -2.061  28.408 -12.456
  325    HD1  PHE  42           HD1      PHE  42  -0.401  26.705 -11.128
  326    HD2  PHE  42           HD2      PHE  42  -4.283  25.748 -12.727
  327    HE1  PHE  42           HE1      PHE  42   0.370  24.388 -11.600
  328    HE2  PHE  42           HE2      PHE  42  -3.540  23.435 -13.142
  329    HZ   PHE  42           HZ       PHE  42  -1.186  22.763 -12.631
  330    HA   PRO  43           HA       PRO  43  -0.623  29.828 -11.626
  331    HB2  PRO  43           HB2      PRO  43   0.616  32.245 -11.510
  332    HB3  PRO  43           HB3      PRO  43  -0.457  31.789 -12.867
  333    HG2  PRO  43           HG2      PRO  43  -1.139  33.472 -10.440
  334    HG3  PRO  43           HG3      PRO  43  -1.498  33.811 -12.163
  335    HD2  PRO  43           HD2      PRO  43  -3.332  32.679 -10.463
  336    HD3  PRO  43           HD3      PRO  43  -3.261  32.255 -12.198
  337    H    PHE  44           H        PHE  44   1.321  29.505 -10.282
  338    HA   PHE  44           HA       PHE  44   1.262  30.798  -7.628
  339    HB2  PHE  44           HB2      PHE  44   1.459  28.829  -6.323
  340    HB3  PHE  44           HB3      PHE  44  -0.036  28.759  -7.223
  341    HD1  PHE  44           HD1      PHE  44   3.477  27.487  -7.188
  342    HD2  PHE  44           HD2      PHE  44  -0.570  26.752  -8.438
  343    HE1  PHE  44           HE1      PHE  44   4.134  25.224  -7.859
  344    HE2  PHE  44           HE2      PHE  44   0.077  24.446  -9.093
  345    HZ   PHE  44           HZ       PHE  44   2.421  23.671  -8.830
  346    H    MET  45           H        MET  45   3.338  30.566  -6.448
  347    HA   MET  45           HA       MET  45   5.548  30.639  -8.413
  348    HB2  MET  45           HB2      MET  45   5.251  32.476  -6.750
  349    HB3  MET  45           HB3      MET  45   5.354  31.304  -5.425
  350    HG2  MET  45           HG2      MET  45   7.678  30.748  -6.144
  351    HG3  MET  45           HG3      MET  45   7.558  31.980  -7.401
  352    HE1  MET  45           HE1      MET  45  10.123  33.353  -4.798
  353    HE2  MET  45           HE2      MET  45   9.852  31.718  -5.460
  354    HE3  MET  45           HE3      MET  45   9.777  33.131  -6.530
  355    H    GLY  46           H        GLY  46   7.364  29.160  -8.308
  356    HA2  GLY  46           HA2      GLY  46   7.516  27.314  -6.060
  357    HA3  GLY  46           HA3      GLY  46   7.134  26.550  -7.613
  358    H    LYS  47           H        LYS  47   9.373  25.824  -6.401
  359    HA   LYS  47           HA       LYS  47  11.566  27.187  -7.893
  360    HB2  LYS  47           HB2      LYS  47  11.864  26.566  -5.362
  361    HB3  LYS  47           HB3      LYS  47  11.851  24.892  -5.894
  362    HG2  LYS  47           HG2      LYS  47  14.143  25.425  -5.837
  363    HG3  LYS  47           HG3      LYS  47  13.742  25.571  -7.537
  364    HD2  LYS  47           HD2      LYS  47  15.080  27.465  -7.046
  365    HD3  LYS  47           HD3      LYS  47  13.442  28.071  -7.190
  366    HE2  LYS  47           HE2      LYS  47  14.686  29.117  -5.356
  367    HE3  LYS  47           HE3      LYS  47  13.226  28.312  -4.786
  368    HZ1  LYS  47           HZ1      LYS  47  15.875  26.967  -4.658
  369    HZ2  LYS  47           HZ2      LYS  47  15.330  27.950  -3.457
  370    HZ3  LYS  47           HZ3      LYS  47  14.515  26.595  -3.842
  371    H    TRP  48           H        TRP  48  12.190  26.237  -9.763
  372    HA   TRP  48           HA       TRP  48  11.144  23.561 -10.507
  373    HB2  TRP  48           HB2      TRP  48  11.080  25.447 -12.161
  374    HB3  TRP  48           HB3      TRP  48  12.824  25.572 -12.066
  375    HD1  TRP  48           HD1      TRP  48  12.156  21.985 -12.072
  376    HE1  TRP  48           HE1      TRP  48  12.340  20.954 -14.361
  377    HE3  TRP  48           HE3      TRP  48  11.955  26.268 -14.860
  378    HZ2  TRP  48           HZ2      TRP  48  12.439  21.866 -17.135
  379    HZ3  TRP  48           HZ3      TRP  48  12.069  26.153 -17.336
  380    HH2  TRP  48           HH2      TRP  48  12.313  23.959 -18.479
  381    H    LYS  49           H        LYS  49  12.334  22.037  -9.417
  382    HA   LYS  49           HA       LYS  49  15.213  22.412  -8.867
  383    HB2  LYS  49           HB2      LYS  49  12.993  20.676  -7.683
  384    HB3  LYS  49           HB3      LYS  49  14.704  20.393  -7.347
  385    HG2  LYS  49           HG2      LYS  49  14.968  22.597  -6.363
  386    HG3  LYS  49           HG3      LYS  49  13.345  23.076  -6.863
  387    HD2  LYS  49           HD2      LYS  49  13.430  22.605  -4.481
  388    HD3  LYS  49           HD3      LYS  49  12.323  21.511  -5.320
  389    HE2  LYS  49           HE2      LYS  49  13.904  19.685  -5.208
  390    HE3  LYS  49           HE3      LYS  49  15.188  20.748  -4.611
  391    HZ1  LYS  49           HZ1      LYS  49  14.030  20.999  -2.564
  392    HZ2  LYS  49           HZ2      LYS  49  12.675  20.264  -3.105
  393    HZ3  LYS  49           HZ3      LYS  49  14.056  19.399  -2.872
  394    H    LYS  50           H        LYS  50  15.350  22.204 -11.221
  395    HA   LYS  50           HA       LYS  50  14.394  19.857 -12.616
  396    HB2  LYS  50           HB2      LYS  50  15.026  22.147 -13.615
  397    HB3  LYS  50           HB3      LYS  50  16.714  21.636 -13.477
  398    HG2  LYS  50           HG2      LYS  50  16.179  19.634 -14.899
  399    HG3  LYS  50           HG3      LYS  50  14.511  20.196 -15.038
  400    HD2  LYS  50           HD2      LYS  50  15.289  22.255 -16.168
  401    HD3  LYS  50           HD3      LYS  50  16.977  21.719 -15.991
  402    HE2  LYS  50           HE2      LYS  50  16.464  19.685 -17.329
  403    HE3  LYS  50           HE3      LYS  50  14.792  20.224 -17.519
  404    HZ1  LYS  50           HZ1      LYS  50  15.622  22.154 -18.741
  405    HZ2  LYS  50           HZ2      LYS  50  17.172  21.658 -18.558
  406    HZ3  LYS  50           HZ3      LYS  50  16.131  20.779 -19.448
  407    H    LYS  51           H        LYS  51  15.290  17.778 -12.711
  408    HA   LYS  51           HA       LYS  51  17.638  17.022 -11.330
  409    HB2  LYS  51           HB2      LYS  51  15.890  15.477 -12.257
  410    HB3  LYS  51           HB3      LYS  51  16.502  15.804 -13.888
  411    HG2  LYS  51           HG2      LYS  51  18.725  14.871 -13.210
  412    HG3  LYS  51           HG3      LYS  51  18.073  14.528 -11.596
  413    HD2  LYS  51           HD2      LYS  51  16.403  12.995 -12.611
  414    HD3  LYS  51           HD3      LYS  51  17.031  13.385 -14.230
  415    HE2  LYS  51           HE2      LYS  51  19.281  12.534 -13.527
  416    HE3  LYS  51           HE3      LYS  51  18.596  12.076 -11.962
  417    HZ1  LYS  51           HZ1      LYS  51  18.664  10.196 -13.475
  418    HZ2  LYS  51           HZ2      LYS  51  17.112  10.548 -13.132
  419    HZ3  LYS  51           HZ3      LYS  51  17.749  10.968 -14.578
  420    H    SER  52           H        SER  52  19.813  16.918 -11.899
  421    HA   SER  52           HA       SER  52  20.919  18.836 -13.612
  422    HB2  SER  52           HB2      SER  52  22.330  18.048 -11.956
  423    HB3  SER  52           HB3      SER  52  21.911  16.360 -12.225
  424    HG   SER  52           HG       SER  52  23.997  16.852 -12.956
  425    H    ARG  53           H        ARG  53  21.935  18.719 -15.595
  426    HA   ARG  53           HA       ARG  53  20.662  17.168 -17.644
  427    HB2  ARG  53           HB2      ARG  53  21.524  19.440 -17.994
  428    HB3  ARG  53           HB3      ARG  53  23.157  18.928 -17.592
  429    HG2  ARG  53           HG2      ARG  53  22.851  19.270 -20.007
  430    HG3  ARG  53           HG3      ARG  53  23.337  17.626 -19.628
  431    HD2  ARG  53           HD2      ARG  53  20.878  16.943 -19.836
  432    HD3  ARG  53           HD3      ARG  53  20.535  18.593 -20.349
  433    HE   ARG  53           HE       ARG  53  21.434  18.155 -22.411
  434   HH11  ARG  53          HH11      ARG  53  22.398  15.491 -20.234
  435   HH12  ARG  53          HH12      ARG  53  22.923  14.467 -21.524
  436   HH21  ARG  53          HH21      ARG  53  22.177  16.792 -24.098
  437   HH22  ARG  53          HH22      ARG  53  22.819  15.232 -23.756
  438    H    LYS  54           H        LYS  54  23.264  16.393 -15.477
  439    HA   LYS  54           HA       LYS  54  24.152  14.175 -17.283
  440    HB2  LYS  54           HB2      LYS  54  26.464  14.638 -16.543
  441    HB3  LYS  54           HB3      LYS  54  25.769  15.986 -17.446
  442    HG2  LYS  54           HG2      LYS  54  25.422  17.285 -15.444
  443    HG3  LYS  54           HG3      LYS  54  25.719  15.884 -14.419
  444    HD2  LYS  54           HD2      LYS  54  28.110  15.857 -15.172
  445    HD3  LYS  54           HD3      LYS  54  27.784  17.345 -16.079
  446    HE2  LYS  54           HE2      LYS  54  28.738  17.984 -13.957
  447    HE3  LYS  54           HE3      LYS  54  27.034  18.444 -13.952
  448    HZ1  LYS  54           HZ1      LYS  54  28.198  16.073 -12.604
  449    HZ2  LYS  54           HZ2      LYS  54  27.636  17.415 -11.875
  450    HZ3  LYS  54           HZ3      LYS  54  26.592  16.408 -12.623
  451    H    THR  55           H        THR  55  23.172  15.028 -14.023
  452    HA   THR  55           HA       THR  55  23.973  12.342 -13.059
  453    HB   THR  55           HB       THR  55  24.755  13.693 -10.932
  454    HG1  THR  55           HG1      THR  55  24.547  15.761 -11.317
  455   HG21  THR  55          HG21      THR  55  27.031  13.743 -11.709
  456   HG22  THR  55          HG22      THR  55  26.240  12.305 -12.369
  457   HG23  THR  55          HG23      THR  55  26.518  13.719 -13.410
  458    H    SER  56           H        SER  56  23.127  12.146 -10.645
  459    HA   SER  56           HA       SER  56  20.268  12.483 -10.685
  460    HB2  SER  56           HB2      SER  56  20.664  11.412  -8.339
  461    HB3  SER  56           HB3      SER  56  21.056  10.479  -9.787
  462    HG   SER  56           HG       SER  56  22.724  10.396  -8.216
  463    H    THR  57           H        THR  57  22.611  14.780 -10.059
  464    HA   THR  57           HA       THR  57  21.654  15.945  -7.607
  465    HB   THR  57           HB       THR  57  23.210  17.814  -8.483
  466    HG1  THR  57           HG1      THR  57  24.296  17.452 -10.273
  467   HG21  THR  57          HG21      THR  57  24.375  15.002  -8.231
  468   HG22  THR  57          HG22      THR  57  25.244  16.534  -8.008
  469   HG23  THR  57          HG23      THR  57  23.963  16.076  -6.875
  470    H    ILE  58           H        ILE  58  21.285  18.544  -7.963
  471    HA   ILE  58           HA       ILE  58  18.870  18.835  -9.707
  472    HB   ILE  58           HB       ILE  58  19.288  19.463  -6.770
  473   HG12  ILE  58          HG12      ILE  58  18.653  17.098  -7.264
  474   HG13  ILE  58          HG13      ILE  58  17.505  17.967  -6.266
  475   HG21  ILE  58          HG21      ILE  58  18.096  21.349  -7.666
  476   HG22  ILE  58          HG22      ILE  58  16.981  20.298  -8.552
  477   HG23  ILE  58          HG23      ILE  58  16.959  20.350  -6.767
  478   HD11  ILE  58          HD11      ILE  58  15.944  18.178  -8.118
  479   HD12  ILE  58          HD12      ILE  58  17.130  17.489  -9.250
  480   HD13  ILE  58          HD13      ILE  58  16.443  16.490  -7.959
  481    H    GLU  59           H        GLU  59  18.732  20.719 -10.721
  482    HA   GLU  59           HA       GLU  59  20.625  22.945 -10.134
  483    HB2  GLU  59           HB2      GLU  59  19.201  22.104 -12.713
  484    HB3  GLU  59           HB3      GLU  59  20.097  23.606 -12.514
  485    HG2  GLU  59           HG2      GLU  59  21.284  20.797 -12.327
  486    HG3  GLU  59           HG3      GLU  59  21.375  21.849 -13.729
  487    H    GLU  60           H        GLU  60  19.463  25.048 -10.080
  488    HA   GLU  60           HA       GLU  60  16.549  24.701  -9.496
  489    HB2  GLU  60           HB2      GLU  60  18.701  26.194  -7.956
  490    HB3  GLU  60           HB3      GLU  60  16.966  26.394  -7.702
  491    HG2  GLU  60           HG2      GLU  60  16.766  23.969  -7.175
  492    HG3  GLU  60           HG3      GLU  60  18.520  23.807  -7.365
  493    H    LYS  61           H        LYS  61  15.165  26.142 -10.320
  494    HA   LYS  61           HA       LYS  61  16.160  28.899 -10.916
  495    HB2  LYS  61           HB2      LYS  61  14.383  27.211 -12.746
  496    HB3  LYS  61           HB3      LYS  61  14.578  28.964 -12.863
  497    HG2  LYS  61           HG2      LYS  61  17.077  28.585 -13.132
  498    HG3  LYS  61           HG3      LYS  61  16.736  26.860 -13.302
  499    HD2  LYS  61           HD2      LYS  61  15.711  29.124 -15.070
  500    HD3  LYS  61           HD3      LYS  61  16.984  27.991 -15.497
  501    HE2  LYS  61           HE2      LYS  61  14.069  27.234 -14.972
  502    HE3  LYS  61           HE3      LYS  61  14.759  27.532 -16.565
  503    HZ1  LYS  61           HZ1      LYS  61  15.632  25.365 -14.741
  504    HZ2  LYS  61           HZ2      LYS  61  14.702  25.187 -16.076
  505    HZ3  LYS  61           HZ3      LYS  61  16.256  25.668 -16.226
  506    H    THR  62           H        THR  62  14.568  30.451 -10.350
  507    HA   THR  62           HA       THR  62  12.347  29.372  -8.673
  508    HB   THR  62           HB       THR  62  13.485  32.196  -8.801
  509    HG1  THR  62           HG1      THR  62  15.075  30.831  -8.020
  510   HG21  THR  62          HG21      THR  62  12.381  32.421  -6.609
  511   HG22  THR  62          HG22      THR  62  11.205  32.003  -7.866
  512   HG23  THR  62          HG23      THR  62  11.762  30.755  -6.730
  513    H    VAL  63           H        VAL  63  10.255  29.529  -9.491
  514    HA   VAL  63           HA       VAL  63   9.912  31.126 -11.972
  515    HB   VAL  63           HB       VAL  63   8.915  29.227 -13.095
  516   HG11  VAL  63          HG11      VAL  63  11.366  29.636 -13.373
  517   HG12  VAL  63          HG12      VAL  63  11.682  28.400 -12.138
  518   HG13  VAL  63          HG13      VAL  63  10.872  27.964 -13.654
  519   HG21  VAL  63          HG21      VAL  63   8.139  27.889 -11.138
  520   HG22  VAL  63          HG22      VAL  63   9.073  26.938 -12.294
  521   HG23  VAL  63          HG23      VAL  63   9.825  27.467 -10.776
  522    H    GLU  64           H        GLU  64   7.813  31.496 -12.585
  523    HA   GLU  64           HA       GLU  64   5.690  31.172 -10.502
  524    HB2  GLU  64           HB2      GLU  64   6.171  33.534 -11.137
  525    HB3  GLU  64           HB3      GLU  64   5.873  33.140 -12.833
  526    HG2  GLU  64           HG2      GLU  64   3.537  32.536 -12.311
  527    HG3  GLU  64           HG3      GLU  64   3.837  32.761 -10.588
  528    H    VAL  65           H        VAL  65   4.377  29.481 -10.993
  529    HA   VAL  65           HA       VAL  65   4.434  28.340 -13.701
  530    HB   VAL  65           HB       VAL  65   3.528  26.451 -12.917
  531   HG11  VAL  65          HG11      VAL  65   4.878  27.336 -10.338
  532   HG12  VAL  65          HG12      VAL  65   4.729  25.690 -10.975
  533   HG13  VAL  65          HG13      VAL  65   5.764  26.865 -11.802
  534   HG21  VAL  65          HG21      VAL  65   2.279  26.007 -10.929
  535   HG22  VAL  65          HG22      VAL  65   2.318  27.726 -10.492
  536   HG23  VAL  65          HG23      VAL  65   1.499  27.183 -11.981
  537    H    LEU  66           H        LEU  66   2.716  28.371 -15.123
  538    HA   LEU  66           HA       LEU  66   0.637  30.420 -14.490
  539    HB2  LEU  66           HB2      LEU  66   1.487  29.239 -17.168
  540    HB3  LEU  66           HB3      LEU  66   0.315  30.510 -16.911
  541    HG   LEU  66           HG       LEU  66   2.158  31.641 -17.660
  542   HD11  LEU  66          HD11      LEU  66   2.499  31.884 -14.643
  543   HD12  LEU  66          HD12      LEU  66   2.934  33.080 -15.875
  544   HD13  LEU  66          HD13      LEU  66   1.230  32.685 -15.599
  545   HD21  LEU  66          HD21      LEU  66   3.811  29.805 -17.466
  546   HD22  LEU  66          HD22      LEU  66   4.449  31.386 -16.990
  547   HD23  LEU  66          HD23      LEU  66   4.026  30.206 -15.747
  548    H    GLY  67           H        GLY  67   0.931  26.941 -15.049
  549    HA2  GLY  67           HA2      GLY  67  -1.588  26.156 -14.368
  550    HA3  GLY  67           HA3      GLY  67  -1.718  26.564 -16.085
  551    H    MET  68           H        MET  68  -2.145  24.028 -15.600
  552    HA   MET  68           HA       MET  68   0.188  22.304 -15.798
  553    HB2  MET  68           HB2      MET  68  -2.684  21.896 -16.735
  554    HB3  MET  68           HB3      MET  68  -1.421  20.669 -16.824
  555    HG2  MET  68           HG2      MET  68  -2.475  21.902 -14.275
  556    HG3  MET  68           HG3      MET  68  -2.949  20.345 -14.919
  557    HE1  MET  68           HE1      MET  68  -1.761  18.145 -14.588
  558    HE2  MET  68           HE2      MET  68  -0.550  18.717 -15.765
  559    HE3  MET  68           HE3      MET  68  -0.029  17.984 -14.233
  560    H    ALA  69           H        ALA  69   0.967  21.311 -17.713
  561    HA   ALA  69           HA       ALA  69   1.139  22.977 -20.087
  562    HB1  ALA  69           HB1      ALA  69   2.497  21.140 -20.934
  563    HB2  ALA  69           HB2      ALA  69   2.905  21.375 -19.233
  564    HB3  ALA  69           HB3      ALA  69   1.823  20.041 -19.722
  565    HA   PRO  70           HA       PRO  70  -2.287  21.362 -22.527
  566    HB2  PRO  70           HB2      PRO  70  -0.230  20.195 -24.416
  567    HB3  PRO  70           HB3      PRO  70  -1.723  21.107 -24.806
  568    HG2  PRO  70           HG2      PRO  70   0.673  22.358 -24.879
  569    HG3  PRO  70           HG3      PRO  70  -0.725  23.173 -24.100
  570    HD2  PRO  70           HD2      PRO  70   1.532  21.645 -22.797
  571    HD3  PRO  70           HD3      PRO  70   0.823  23.220 -22.319
  572    H    ASP  71           H        ASP  71  -3.431  19.411 -22.932
  573    HA   ASP  71           HA       ASP  71  -2.862  17.147 -21.395
  574    HB2  ASP  71           HB2      ASP  71  -4.722  16.166 -22.345
  575    HB3  ASP  71           HB3      ASP  71  -5.084  17.881 -22.453
  576    H    ASP  72           H        ASP  72  -1.786  17.961 -24.664
  577    HA   ASP  72           HA       ASP  72  -0.986  15.385 -25.537
  578    HB2  ASP  72           HB2      ASP  72  -1.174  17.324 -27.029
  579    HB3  ASP  72           HB3      ASP  72   0.158  18.125 -26.189
  580    H    GLU  73           H        GLU  73   0.548  17.668 -23.342
  581    HA   GLU  73           HA       GLU  73   3.078  16.120 -23.227
  582    HB2  GLU  73           HB2      GLU  73   2.082  18.567 -21.707
  583    HB3  GLU  73           HB3      GLU  73   3.635  17.792 -21.421
  584    HG2  GLU  73           HG2      GLU  73   2.830  18.969 -24.117
  585    HG3  GLU  73           HG3      GLU  73   3.676  19.860 -22.863
  586    H    CYS  74           H        CYS  74   0.155  16.884 -21.309
  587    HA   CYS  74           HA       CYS  74   1.044  15.403 -19.058
  588    HB2  CYS  74           HB2      CYS  74  -1.741  16.440 -19.648
  589    HB3  CYS  74           HB3      CYS  74  -1.114  15.884 -18.086
  590    HG   CYS  74           HG       CYS  74  -0.251  18.462 -19.947
  591    H    LEU  75           H        LEU  75   0.369  13.999 -21.801
  592    HA   LEU  75           HA       LEU  75  -1.147  11.649 -20.824
  593    HB2  LEU  75           HB2      LEU  75   0.032  12.576 -23.461
  594    HB3  LEU  75           HB3      LEU  75  -0.303  10.869 -23.242
  595    HG   LEU  75           HG       LEU  75  -2.453  12.960 -22.786
  596   HD11  LEU  75          HD11      LEU  75  -1.812  11.438 -25.343
  597   HD12  LEU  75          HD12      LEU  75  -3.229  12.481 -25.066
  598   HD13  LEU  75          HD13      LEU  75  -1.604  13.183 -25.071
  599   HD21  LEU  75          HD21      LEU  75  -2.882  10.713 -21.807
  600   HD22  LEU  75          HD22      LEU  75  -3.970  11.055 -23.154
  601   HD23  LEU  75          HD23      LEU  75  -2.579   9.975 -23.392
  602    H    LYS  76           H        LYS  76   2.071  12.828 -20.769
  603    HA   LYS  76           HA       LYS  76   3.252  10.072 -20.892
  604    HB2  LYS  76           HB2      LYS  76   4.445  12.808 -21.474
  605    HB3  LYS  76           HB3      LYS  76   5.330  11.283 -21.543
  606    HG2  LYS  76           HG2      LYS  76   3.972  10.462 -23.370
  607    HG3  LYS  76           HG3      LYS  76   2.876  11.843 -23.281
  608    HD2  LYS  76           HD2      LYS  76   5.834  12.068 -23.968
  609    HD3  LYS  76           HD3      LYS  76   4.519  11.967 -25.153
  610    HE2  LYS  76           HE2      LYS  76   3.478  14.010 -24.173
  611    HE3  LYS  76           HE3      LYS  76   4.824  14.149 -23.037
  612    HZ1  LYS  76           HZ1      LYS  76   6.305  14.421 -24.956
  613    HZ2  LYS  76           HZ2      LYS  76   5.027  14.358 -25.982
  614    HZ3  LYS  76           HZ3      LYS  76   5.157  15.587 -24.902
  615    H    ASP  77           H        ASP  77   3.242  13.152 -19.085
  616    HA   ASP  77           HA       ASP  77   3.857  11.859 -16.604
  617    HB2  ASP  77           HB2      ASP  77   6.187  12.338 -17.813
  618    HB3  ASP  77           HB3      ASP  77   5.853  14.011 -17.385
  619    H    MET  78           H        MET  78   3.887  13.965 -14.889
  620    HA   MET  78           HA       MET  78   1.726  15.755 -15.882
  621    HB2  MET  78           HB2      MET  78   3.027  15.428 -13.158
  622    HB3  MET  78           HB3      MET  78   1.834  16.671 -13.540
  623    HG2  MET  78           HG2      MET  78   1.377  13.669 -13.691
  624    HG3  MET  78           HG3      MET  78   0.814  14.751 -12.429
  625    HE1  MET  78           HE1      MET  78  -1.303  13.662 -16.269
  626    HE2  MET  78           HE2      MET  78   0.461  13.820 -16.291
  627    HE3  MET  78           HE3      MET  78  -0.318  12.687 -15.163
  628    H    TYR  79           H        TYR  79   2.080  17.902 -16.433
  629    HA   TYR  79           HA       TYR  79   4.787  19.059 -16.069
  630    HB2  TYR  79           HB2      TYR  79   3.234  18.755 -18.669
  631    HB3  TYR  79           HB3      TYR  79   4.575  19.866 -18.471
  632    HD1  TYR  79           HD1      TYR  79   6.897  19.074 -18.357
  633    HD2  TYR  79           HD2      TYR  79   3.589  16.395 -19.028
  634    HE1  TYR  79           HE1      TYR  79   8.455  17.385 -19.283
  635    HE2  TYR  79           HE2      TYR  79   5.127  14.698 -19.935
  636    HH   TYR  79           HH       TYR  79   7.355  14.166 -20.442
  637    H    VAL  80           H        VAL  80   4.819  21.326 -16.324
  638    HA   VAL  80           HA       VAL  80   2.237  22.783 -16.220
  639    HB   VAL  80           HB       VAL  80   3.346  24.120 -14.307
  640   HG11  VAL  80          HG11      VAL  80   2.302  21.317 -13.748
  641   HG12  VAL  80          HG12      VAL  80   2.389  22.662 -12.583
  642   HG13  VAL  80          HG13      VAL  80   1.336  22.792 -13.990
  643   HG21  VAL  80          HG21      VAL  80   5.592  23.028 -14.396
  644   HG22  VAL  80          HG22      VAL  80   4.838  22.923 -12.799
  645   HG23  VAL  80          HG23      VAL  80   4.862  21.500 -13.862
  646    H    GLU  81           H        GLU  81   2.373  24.884 -16.929
  647    HA   GLU  81           HA       GLU  81   4.732  25.594 -18.578
  648    HB2  GLU  81           HB2      GLU  81   2.059  26.998 -18.112
  649    HB3  GLU  81           HB3      GLU  81   3.364  27.599 -19.148
  650    HG2  GLU  81           HG2      GLU  81   3.196  25.459 -20.486
  651    HG3  GLU  81           HG3      GLU  81   1.770  25.036 -19.535
  652    H    VAL  82           H        VAL  82   6.212  27.147 -17.871
  653    HA   VAL  82           HA       VAL  82   5.667  28.570 -15.330
  654    HB   VAL  82           HB       VAL  82   7.685  27.839 -14.304
  655   HG11  VAL  82          HG11      VAL  82   6.403  25.279 -15.312
  656   HG12  VAL  82          HG12      VAL  82   7.259  25.544 -13.785
  657   HG13  VAL  82          HG13      VAL  82   5.694  26.319 -14.068
  658   HG21  VAL  82          HG21      VAL  82   9.175  26.089 -15.222
  659   HG22  VAL  82          HG22      VAL  82   8.282  26.131 -16.757
  660   HG23  VAL  82          HG23      VAL  82   9.201  27.552 -16.202
  661    H    ALA  83           H        ALA  83   6.949  30.471 -15.010
  662    HA   ALA  83           HA       ALA  83   8.637  31.320 -17.331
  663    HB1  ALA  83           HB1      ALA  83   6.498  32.516 -17.445
  664    HB2  ALA  83           HB2      ALA  83   6.648  32.994 -15.735
  665    HB3  ALA  83           HB3      ALA  83   7.794  33.615 -16.943
  666    H    ASP  84           H        ASP  84  10.530  32.346 -16.726
  667    HA   ASP  84           HA       ASP  84  11.531  31.662 -14.087
  668    HB2  ASP  84           HB2      ASP  84  13.007  31.521 -16.024
  669    HB3  ASP  84           HB3      ASP  84  12.713  33.228 -16.406
  670    H    ILE  85           H        ILE  85  11.590  32.881 -12.286
  671    HA   ILE  85           HA       ILE  85  10.655  35.681 -12.386
  672    HB   ILE  85           HB       ILE  85  11.346  33.862 -10.062
  673   HG12  ILE  85          HG12      ILE  85   8.622  34.795 -11.105
  674   HG13  ILE  85          HG13      ILE  85   9.297  33.198 -11.372
  675   HG21  ILE  85          HG21      ILE  85  10.281  35.530  -8.607
  676   HG22  ILE  85          HG22      ILE  85  11.607  36.281  -9.456
  677   HG23  ILE  85          HG23      ILE  85   9.935  36.563 -10.010
  678   HD11  ILE  85          HD11      ILE  85   8.470  34.352  -8.678
  679   HD12  ILE  85          HD12      ILE  85   7.709  33.049  -9.566
  680   HD13  ILE  85          HD13      ILE  85   9.329  32.805  -8.903
  681    H    GLY  86           H        GLY  86  13.663  33.842 -12.312
  682    HA2  GLY  86           HA2      GLY  86  15.371  35.523 -10.857
  683    HA3  GLY  86           HA3      GLY  86  15.836  34.445 -12.183
  684    H    GLY  87           H        GLY  87  14.602  35.584 -14.381
  685    HA2  GLY  87           HA2      GLY  87  14.581  38.425 -14.514
  686    HA3  GLY  87           HA3      GLY  87  16.165  37.842 -15.061
  687    H    LYS  88           H        LYS  88  14.763  35.297 -16.192
  688    HA   LYS  88           HA       LYS  88  14.278  36.498 -18.829
  689    HB2  LYS  88           HB2      LYS  88  14.339  33.572 -17.984
  690    HB3  LYS  88           HB3      LYS  88  14.348  34.187 -19.631
  691    HG2  LYS  88           HG2      LYS  88  16.556  34.501 -17.558
  692    HG3  LYS  88           HG3      LYS  88  16.570  33.446 -18.960
  693    HD2  LYS  88           HD2      LYS  88  16.586  36.496 -19.028
  694    HD3  LYS  88           HD3      LYS  88  17.962  35.426 -19.304
  695    HE2  LYS  88           HE2      LYS  88  16.798  34.429 -21.272
  696    HE3  LYS  88           HE3      LYS  88  15.448  35.544 -21.031
  697    HZ1  LYS  88           HZ1      LYS  88  16.982  36.364 -22.699
  698    HZ2  LYS  88           HZ2      LYS  88  16.988  37.384 -21.429
  699    HZ3  LYS  88           HZ3      LYS  88  18.231  36.346 -21.656
  700    H    ASP  89           H        ASP  89  12.314  37.186 -16.914
  701    HA   ASP  89           HA       ASP  89   9.921  35.646 -16.996
  702    HB2  ASP  89           HB2      ASP  89  10.329  37.428 -15.365
  703    HB3  ASP  89           HB3      ASP  89  10.426  38.626 -16.654
  704    H    ASP  90           H        ASP  90  11.433  37.703 -19.360
  705    HA   ASP  90           HA       ASP  90   9.235  38.396 -21.014
  706    HB2  ASP  90           HB2      ASP  90  11.482  39.427 -21.088
  707    HB3  ASP  90           HB3      ASP  90  12.163  37.912 -21.684
  708    H    ASP  91           H        ASP  91  10.481  35.238 -20.380
  709    HA   ASP  91           HA       ASP  91   9.168  34.161 -22.803
  710    HB2  ASP  91           HB2      ASP  91  11.656  34.332 -23.174
  711    HB3  ASP  91           HB3      ASP  91  11.887  33.254 -21.795
  712    H    VAL  92           H        VAL  92   8.843  31.755 -22.537
  713    HA   VAL  92           HA       VAL  92   8.178  31.015 -19.742
  714    HB   VAL  92           HB       VAL  92   6.192  30.807 -22.022
  715   HG11  VAL  92          HG11      VAL  92   5.803  30.636 -19.009
  716   HG12  VAL  92          HG12      VAL  92   4.522  30.507 -20.229
  717   HG13  VAL  92          HG13      VAL  92   5.766  29.266 -20.141
  718   HG21  VAL  92          HG21      VAL  92   6.453  33.213 -21.682
  719   HG22  VAL  92          HG22      VAL  92   4.929  32.701 -20.970
  720   HG23  VAL  92          HG23      VAL  92   6.328  33.012 -19.919
  721    H    TYR  93           H        TYR  93   7.922  28.787 -19.505
  722    HA   TYR  93           HA       TYR  93   9.130  27.009 -21.561
  723    HB2  TYR  93           HB2      TYR  93   9.849  27.110 -18.603
  724    HB3  TYR  93           HB3      TYR  93  10.653  26.188 -19.859
  725    HD1  TYR  93           HD1      TYR  93  12.200  27.306 -21.462
  726    HD2  TYR  93           HD2      TYR  93  10.283  29.490 -18.271
  727    HE1  TYR  93           HE1      TYR  93  13.780  29.186 -21.801
  728    HE2  TYR  93           HE2      TYR  93  11.837  31.387 -18.624
  729    HH   TYR  93           HH       TYR  93  13.618  32.200 -19.856
  730    H    THR  94           H        THR  94   9.125  24.708 -20.439
  731    HA   THR  94           HA       THR  94   6.629  24.234 -18.894
  732    HB   THR  94           HB       THR  94   7.501  22.351 -21.105
  733    HG1  THR  94           HG1      THR  94   6.914  24.300 -22.079
  734   HG21  THR  94          HG21      THR  94   4.851  22.741 -19.648
  735   HG22  THR  94          HG22      THR  94   5.197  21.519 -20.896
  736   HG23  THR  94          HG23      THR  94   6.027  21.444 -19.335
  737    H    ALA  95           H        ALA  95   6.949  22.892 -17.225
  738    HA   ALA  95           HA       ALA  95   9.596  21.544 -16.892
  739    HB1  ALA  95           HB1      ALA  95   9.427  22.191 -14.493
  740    HB2  ALA  95           HB2      ALA  95   9.484  23.626 -15.542
  741    HB3  ALA  95           HB3      ALA  95   7.943  23.096 -14.835
  742    H    LYS  96           H        LYS  96   9.441  19.573 -15.643
  743    HA   LYS  96           HA       LYS  96   6.880  18.156 -15.779
  744    HB2  LYS  96           HB2      LYS  96   9.550  17.539 -14.431
  745    HB3  LYS  96           HB3      LYS  96   8.142  16.476 -14.392
  746    HG2  LYS  96           HG2      LYS  96   8.191  16.074 -16.725
  747    HG3  LYS  96           HG3      LYS  96   9.399  17.339 -17.024
  748    HD2  LYS  96           HD2      LYS  96   9.976  14.997 -15.188
  749    HD3  LYS  96           HD3      LYS  96  10.189  14.859 -16.942
  750    HE2  LYS  96           HE2      LYS  96  11.944  16.377 -17.034
  751    HE3  LYS  96           HE3      LYS  96  11.446  17.221 -15.564
  752    HZ1  LYS  96           HZ1      LYS  96  13.448  15.873 -15.263
  753    HZ2  LYS  96           HZ2      LYS  96  12.251  15.501 -14.228
  754    HZ3  LYS  96           HZ3      LYS  96  12.588  14.498 -15.512
  755    H    LEU  97           H        LEU  97   5.444  18.033 -14.080
  756    HA   LEU  97           HA       LEU  97   5.655  19.819 -11.817
  757    HB2  LEU  97           HB2      LEU  97   3.493  18.890 -12.747
  758    HB3  LEU  97           HB3      LEU  97   3.959  17.310 -12.103
  759    HG   LEU  97           HG       LEU  97   3.948  18.250  -9.788
  760   HD11  LEU  97          HD11      LEU  97   4.444  20.604 -10.150
  761   HD12  LEU  97          HD12      LEU  97   3.023  20.793 -11.205
  762   HD13  LEU  97          HD13      LEU  97   2.821  20.505  -9.473
  763   HD21  LEU  97          HD21      LEU  97   1.385  18.751 -11.350
  764   HD22  LEU  97          HD22      LEU  97   1.945  17.177 -10.732
  765   HD23  LEU  97          HD23      LEU  97   1.515  18.466  -9.599
  766    H    SER  98           H        SER  98   6.696  16.568 -12.587
  767    HA   SER  98           HA       SER  98   7.426  15.505 -10.092
  768    HB2  SER  98           HB2      SER  98   8.821  15.101 -12.768
  769    HB3  SER  98           HB3      SER  98   8.606  13.921 -11.467
  770    HG   SER  98           HG       SER  98   7.049  14.038 -13.482
  771    H    ASP  99           H        ASP  99   8.783  18.232 -11.702
  772    HA   ASP  99           HA       ASP  99  11.337  18.063 -10.169
  773    HB2  ASP  99           HB2      ASP  99  10.802  18.998 -13.016
  774    HB3  ASP  99           HB3      ASP  99  12.210  19.510 -12.111
  775    H    ILE 100           H        ILE 100   8.452  19.393  -9.843
  776    HA   ILE 100           HA       ILE 100   9.434  22.160  -9.341
  777    HB   ILE 100           HB       ILE 100   6.921  21.116 -10.573
  778   HG12  ILE 100          HG12      ILE 100   8.968  22.287 -11.665
  779   HG13  ILE 100          HG13      ILE 100   7.333  22.676 -12.204
  780   HG21  ILE 100          HG21      ILE 100   6.857  23.663  -8.909
  781   HG22  ILE 100          HG22      ILE 100   5.651  23.186 -10.125
  782   HG23  ILE 100          HG23      ILE 100   5.883  22.196  -8.684
  783   HD11  ILE 100          HD11      ILE 100   8.920  24.383 -10.257
  784   HD12  ILE 100          HD12      ILE 100   8.854  24.625 -12.016
  785   HD13  ILE 100          HD13      ILE 100   7.382  24.797 -11.050
  786    H    GLU 101           H        GLU 101   8.947  23.043  -7.472
  787    HA   GLU 101           HA       GLU 101   7.388  21.523  -5.442
  788    HB2  GLU 101           HB2      GLU 101   9.844  21.131  -5.151
  789    HB3  GLU 101           HB3      GLU 101  10.087  22.873  -4.964
  790    HG2  GLU 101           HG2      GLU 101   8.566  22.840  -2.980
  791    HG3  GLU 101           HG3      GLU 101   8.358  21.096  -3.179
  792    H    ALA 102           H        ALA 102   5.706  22.882  -4.886
  793    HA   ALA 102           HA       ALA 102   5.704  25.633  -5.760
  794    HB1  ALA 102           HB1      ALA 102   3.610  24.381  -5.655
  795    HB2  ALA 102           HB2      ALA 102   3.804  24.145  -3.898
  796    HB3  ALA 102           HB3      ALA 102   3.543  25.766  -4.585
  797    H    ILE 103           H        ILE 103   5.631  27.476  -4.524
  798    HA   ILE 103           HA       ILE 103   6.817  27.338  -1.782
  799    HB   ILE 103           HB       ILE 103   7.130  29.383  -4.005
  800   HG12  ILE 103          HG12      ILE 103   9.289  27.731  -2.610
  801   HG13  ILE 103          HG13      ILE 103   8.532  27.219  -4.106
  802   HG21  ILE 103          HG21      ILE 103   6.991  30.531  -1.808
  803   HG22  ILE 103          HG22      ILE 103   8.263  29.466  -1.172
  804   HG23  ILE 103          HG23      ILE 103   8.615  30.631  -2.469
  805   HD11  ILE 103          HD11      ILE 103   9.292  29.327  -5.216
  806   HD12  ILE 103          HD12      ILE 103  10.204  29.731  -3.739
  807   HD13  ILE 103          HD13      ILE 103  10.603  28.279  -4.660
  808    H    ASP 104           H        ASP 104   5.663  28.188  -0.218
  809    HA   ASP 104           HA       ASP 104   3.948  29.006   0.962
  810    HB2  ASP 104           HB2      ASP 104   5.444  30.908   0.510
  811    HB3  ASP 104           HB3      ASP 104   4.441  31.371  -0.865
  812    H    VAL 105           H        VAL 105   2.876  27.307  -0.973
  813    HA   VAL 105           HA       VAL 105   0.582  28.739  -2.150
  814    HB   VAL 105           HB       VAL 105   2.190  27.139  -3.376
  815   HG11  VAL 105          HG11      VAL 105   0.351  25.033  -2.222
  816   HG12  VAL 105          HG12      VAL 105   1.476  24.805  -3.557
  817   HG13  VAL 105          HG13      VAL 105   2.092  25.182  -1.938
  818   HG21  VAL 105          HG21      VAL 105   0.614  26.695  -5.018
  819   HG22  VAL 105          HG22      VAL 105  -0.757  26.828  -3.884
  820   HG23  VAL 105          HG23      VAL 105   0.215  28.252  -4.306
  821    H    ASP 106           H        ASP 106  -1.555  27.351  -2.187
  822    HA   ASP 106           HA       ASP 106  -2.401  27.203   0.574
  823    HB2  ASP 106           HB2      ASP 106  -4.420  27.554  -0.222
  824    HB3  ASP 106           HB3      ASP 106  -3.692  27.810  -1.804
  825    H    ASP 107           H        ASP 107  -3.592  25.355   1.450
  826    HA   ASP 107           HA       ASP 107  -1.967  23.087   1.600
  827    HB2  ASP 107           HB2      ASP 107  -3.506  23.792   3.364
  828    HB3  ASP 107           HB3      ASP 107  -4.894  23.457   2.326
  829    H    ASP 108           H        ASP 108  -4.821  23.620  -0.565
  830    HA   ASP 108           HA       ASP 108  -5.035  20.780  -1.106
  831    HB2  ASP 108           HB2      ASP 108  -6.850  22.680  -1.186
  832    HB3  ASP 108           HB3      ASP 108  -6.247  22.953  -2.824
  833    H    THR 109           H        THR 109  -3.637  23.645  -2.776
  834    HA   THR 109           HA       THR 109  -2.661  22.283  -5.085
  835    HB   THR 109           HB       THR 109  -1.437  24.706  -3.642
  836    HG1  THR 109           HG1      THR 109  -3.568  25.117  -4.030
  837   HG21  THR 109          HG21      THR 109  -0.824  25.380  -5.963
  838   HG22  THR 109          HG22      THR 109   0.020  23.911  -5.444
  839   HG23  THR 109          HG23      THR 109  -1.369  23.837  -6.560
  840    H    GLN 110           H        GLN 110  -1.201  22.863  -1.822
  841    HA   GLN 110           HA       GLN 110   1.256  21.604  -2.435
  842    HB2  GLN 110           HB2      GLN 110   0.509  23.096  -0.400
  843    HB3  GLN 110           HB3      GLN 110   0.067  21.567   0.357
  844    HG2  GLN 110           HG2      GLN 110   2.809  22.376  -0.724
  845    HG3  GLN 110           HG3      GLN 110   2.341  22.351   0.970
  846   HE21  GLN 110          HE22      GLN 110   3.886  20.549  -1.456
  847   HE22  GLN 110          HE21      GLN 110   3.762  18.965  -0.735
  848    H    GLU 111           H        GLU 111  -1.786  20.231  -0.996
  849    HA   GLU 111           HA       GLU 111  -0.776  17.618  -0.644
  850    HB2  GLU 111           HB2      GLU 111  -3.553  18.771  -1.024
  851    HB3  GLU 111           HB3      GLU 111  -3.328  17.027  -0.922
  852    HG2  GLU 111           HG2      GLU 111  -2.195  18.888   1.189
  853    HG3  GLU 111           HG3      GLU 111  -3.855  18.297   1.246
  854    H    ALA 112           H        ALA 112  -2.332  19.073  -3.550
  855    HA   ALA 112           HA       ALA 112  -2.382  16.638  -5.045
  856    HB1  ALA 112           HB1      ALA 112  -3.663  18.583  -5.712
  857    HB2  ALA 112           HB2      ALA 112  -2.185  19.539  -5.939
  858    HB3  ALA 112           HB3      ALA 112  -2.533  18.164  -7.015
  859    H    ILE 113           H        ILE 113   0.171  19.148  -4.678
  860    HA   ILE 113           HA       ILE 113   1.987  17.963  -6.571
  861    HB   ILE 113           HB       ILE 113   2.293  19.899  -4.260
  862   HG12  ILE 113          HG12      ILE 113   2.610  20.412  -7.240
  863   HG13  ILE 113          HG13      ILE 113   1.025  20.446  -6.477
  864   HG21  ILE 113          HG21      ILE 113   4.453  19.033  -6.230
  865   HG22  ILE 113          HG22      ILE 113   4.575  20.427  -5.136
  866   HG23  ILE 113          HG23      ILE 113   4.460  18.806  -4.465
  867   HD11  ILE 113          HD11      ILE 113   1.852  22.684  -6.575
  868   HD12  ILE 113          HD12      ILE 113   1.798  22.165  -4.882
  869   HD13  ILE 113          HD13      ILE 113   3.356  22.213  -5.752
  870    H    ALA 114           H        ALA 114   1.726  17.746  -2.983
  871    HA   ALA 114           HA       ALA 114   3.883  16.010  -2.544
  872    HB1  ALA 114           HB1      ALA 114   1.245  16.188  -1.012
  873    HB2  ALA 114           HB2      ALA 114   2.766  15.489  -0.425
  874    HB3  ALA 114           HB3      ALA 114   2.662  17.227  -0.746
  875    H    ASP 115           H        ASP 115   0.423  15.303  -3.226
  876    HA   ASP 115           HA       ASP 115   0.570  12.495  -3.164
  877    HB2  ASP 115           HB2      ASP 115  -1.522  13.744  -3.176
  878    HB3  ASP 115           HB3      ASP 115  -1.209  14.292  -4.830
  879    H    TRP 116           H        TRP 116   1.190  14.737  -5.901
  880    HA   TRP 116           HA       TRP 116   1.582  12.610  -7.802
  881    HB2  TRP 116           HB2      TRP 116   1.127  14.894  -8.541
  882    HB3  TRP 116           HB3      TRP 116   2.627  15.466  -7.804
  883    HD1  TRP 116           HD1      TRP 116   4.605  15.598  -9.398
  884    HE1  TRP 116           HE1      TRP 116   5.400  14.405 -11.526
  885    HE3  TRP 116           HE3      TRP 116   0.691  12.343 -10.033
  886    HZ2  TRP 116           HZ2      TRP 116   4.518  12.253 -13.214
  887    HZ3  TRP 116           HZ3      TRP 116   0.708  10.723 -11.902
  888    HH2  TRP 116           HH2      TRP 116   2.620  10.653 -13.492
  889    H    LEU 117           H        LEU 117   3.779  14.338  -5.535
  890    HA   LEU 117           HA       LEU 117   6.149  13.016  -6.517
  891    HB2  LEU 117           HB2      LEU 117   5.560  14.486  -3.923
  892    HB3  LEU 117           HB3      LEU 117   7.150  13.870  -4.360
  893    HG   LEU 117           HG       LEU 117   5.609  15.909  -6.033
  894   HD11  LEU 117          HD11      LEU 117   7.150  17.579  -5.112
  895   HD12  LEU 117          HD12      LEU 117   6.189  16.827  -3.831
  896   HD13  LEU 117          HD13      LEU 117   7.886  16.345  -4.060
  897   HD21  LEU 117          HD21      LEU 117   7.811  16.321  -7.100
  898   HD22  LEU 117          HD22      LEU 117   8.495  14.951  -6.197
  899   HD23  LEU 117          HD23      LEU 117   7.215  14.691  -7.405
  900    H    TYR 118           H        TYR 118   3.781  12.213  -3.942
  901    HA   TYR 118           HA       TYR 118   5.183   9.985  -2.838
  902    HB2  TYR 118           HB2      TYR 118   2.194  10.404  -3.260
  903    HB3  TYR 118           HB3      TYR 118   2.879   9.162  -2.270
  904    HD1  TYR 118           HD2      TYR 118   5.072  11.196  -0.967
  905    HD2  TYR 118           HD1      TYR 118   0.797  11.233  -1.546
  906    HE1  TYR 118           HE2      TYR 118   4.826  12.760   0.922
  907    HE2  TYR 118           HE1      TYR 118   0.552  12.890   0.237
  908    HH   TYR 118           HH       TYR 118   3.343  14.020   2.223
  909    H    TRP 119           H        TRP 119   2.895  10.267  -5.609
  910    HA   TRP 119           HA       TRP 119   2.840   7.484  -6.246
  911    HB2  TRP 119           HB2      TRP 119   1.113   9.045  -6.888
  912    HB3  TRP 119           HB3      TRP 119   2.256  10.059  -7.752
  913    HD1  TRP 119           HD1      TRP 119   2.830   9.490 -10.167
  914    HE1  TRP 119           HE1      TRP 119   1.834   7.867 -11.914
  915    HE3  TRP 119           HE3      TRP 119   0.295   6.376  -7.002
  916    HZ2  TRP 119           HZ2      TRP 119   0.199   5.487 -11.896
  917    HZ3  TRP 119           HZ3      TRP 119  -0.940   4.413  -7.881
  918    HH2  TRP 119           HH2      TRP 119  -0.994   3.958 -10.326
  919    H    LEU 120           H        LEU 120   4.804  10.282  -7.408
  920    HA   LEU 120           HA       LEU 120   6.289   8.993  -9.313
  921    HB2  LEU 120           HB2      LEU 120   6.270  11.510  -8.376
  922    HB3  LEU 120           HB3      LEU 120   7.620  10.956  -7.408
  923    HG   LEU 120           HG       LEU 120   8.537  10.085  -9.762
  924   HD11  LEU 120          HD11      LEU 120   6.377  10.699 -10.935
  925   HD12  LEU 120          HD12      LEU 120   6.682  12.392 -10.546
  926   HD13  LEU 120          HD13      LEU 120   7.794  11.523 -11.617
  927   HD21  LEU 120          HD21      LEU 120   8.518  13.037  -8.974
  928   HD22  LEU 120          HD22      LEU 120   9.639  11.798  -8.369
  929   HD23  LEU 120          HD23      LEU 120   9.675  12.253 -10.077
  930    H    ALA 121           H        ALA 121   7.005   9.351  -5.800
  931    HA   ALA 121           HA       ALA 121   9.399   7.842  -5.695
  932    HB1  ALA 121           HB1      ALA 121   9.055   7.907  -3.276
  933    HB2  ALA 121           HB2      ALA 121   8.691   9.489  -3.989
  934    HB3  ALA 121           HB3      ALA 121   7.367   8.405  -3.498
  935    H    ARG 122           H        ARG 122   6.035   6.800  -5.699
  936    HA   ARG 122           HA       ARG 122   6.555   4.223  -4.545
  937    HB2  ARG 122           HB2      ARG 122   4.246   5.756  -5.509
  938    HB3  ARG 122           HB3      ARG 122   4.139   4.111  -6.079
  939    HG2  ARG 122           HG2      ARG 122   4.426   5.033  -3.190
  940    HG3  ARG 122           HG3      ARG 122   2.978   4.391  -3.958
  941    HD2  ARG 122           HD2      ARG 122   5.532   2.890  -3.275
  942    HD3  ARG 122           HD3      ARG 122   3.954   2.650  -2.579
  943    HE   ARG 122           HE       ARG 122   4.968   1.722  -5.181
  944   HH11  ARG 122          HH11      ARG 122   1.994   2.203  -3.241
  945   HH12  ARG 122          HH12      ARG 122   1.023   1.194  -4.284
  946   HH21  ARG 122          HH21      ARG 122   3.677   0.300  -6.444
  947   HH22  ARG 122          HH22      ARG 122   2.007   0.072  -6.074
  948    H    GLY 123           H        GLY 123   7.476   5.372  -7.557
  949    HA2  GLY 123           HA2      GLY 123   8.624   4.164  -9.195
  950    HA3  GLY 123           HA3      GLY 123   8.183   2.639  -8.404
  951    H    TYR 124           H        TYR 124   6.037   5.271  -9.416
  952    HA   TYR 124           HA       TYR 124   4.012   3.837 -10.586
  953    HB2  TYR 124           HB2      TYR 124   3.279   5.872 -11.472
  954    HB3  TYR 124           HB3      TYR 124   4.028   6.260  -9.941
  955    HD1  TYR 124           HD1      TYR 124   6.825   6.793 -10.379
  956    HD2  TYR 124           HD2      TYR 124   3.564   7.465 -13.111
  957    HE1  TYR 124           HE1      TYR 124   8.169   8.450 -11.572
  958    HE2  TYR 124           HE2      TYR 124   4.871   9.167 -14.281
  959    HH   TYR 124           HH       TYR 124   6.856  10.391 -14.320
  960    H    LYS 125           H        LYS 125   3.223   3.909 -12.809
  961    HA   LYS 125           HA       LYS 125   5.335   3.461 -14.877
  962    HB2  LYS 125           HB2      LYS 125   2.736   1.910 -14.553
  963    HB3  LYS 125           HB3      LYS 125   4.001   1.603 -15.733
  964    HG2  LYS 125           HG2      LYS 125   4.218   1.223 -12.722
  965    HG3  LYS 125           HG3      LYS 125   3.978  -0.046 -13.924
  966    HD2  LYS 125           HD2      LYS 125   6.182   0.552 -14.965
  967    HD3  LYS 125           HD3      LYS 125   6.468   1.702 -13.662
  968    HE2  LYS 125           HE2      LYS 125   6.136  -1.315 -13.395
  969    HE3  LYS 125           HE3      LYS 125   7.636  -0.399 -13.248
  970    HZ1  LYS 125           HZ1      LYS 125   6.608   0.725 -11.284
  971    HZ2  LYS 125           HZ2      LYS 125   5.347  -0.315 -11.381
  972    HZ3  LYS 125           HZ3      LYS 125   6.842  -0.884 -11.083
  973    H    PHE 126           H        PHE 126   2.450   5.212 -14.040
  974    HA   PHE 126           HA       PHE 126   2.177   6.297 -16.715
  975    HB2  PHE 126           HB2      PHE 126  -0.294   5.828 -16.724
  976    HB3  PHE 126           HB3      PHE 126   0.733   4.437 -17.020
  977    HD1  PHE 126           HD1      PHE 126  -1.359   6.090 -14.391
  978    HD2  PHE 126           HD2      PHE 126   0.626   2.481 -15.660
  979    HE1  PHE 126           HE1      PHE 126  -2.496   4.825 -12.581
  980    HE2  PHE 126           HE2      PHE 126  -0.471   1.229 -13.820
  981    HZ   PHE 126           HZ       PHE 126  -2.048   2.395 -12.285
  Start of MODEL   13
    1    H1   MET   1           H1       MET   1   6.386   1.082  -5.963
    2    H2   MET   1           H2       MET   1   6.982  -0.376  -5.513
    3    H3   MET   1           H3       MET   1   5.435  -0.251  -6.056
    4    HA   MET   1           HA       MET   1   4.858   1.134  -4.163
    5    HB2  MET   1           HB2      MET   1   4.470  -1.330  -4.110
    6    HB3  MET   1           HB3      MET   1   6.057  -1.562  -3.370
    7    HG2  MET   1           HG2      MET   1   5.339  -0.199  -1.425
    8    HG3  MET   1           HG3      MET   1   3.755   0.035  -2.164
    9    HE1  MET   1           HE1      MET   1   2.058  -3.449  -1.824
   10    HE2  MET   1           HE2      MET   1   1.863  -1.738  -2.257
   11    HE3  MET   1           HE3      MET   1   2.861  -2.809  -3.271
   12    H    ALA   2           H        ALA   2   5.555   2.402  -2.396
   13    HA   ALA   2           HA       ALA   2   8.156   1.959  -1.185
   14    HB1  ALA   2           HB1      ALA   2   8.775   3.479  -3.075
   15    HB2  ALA   2           HB2      ALA   2   7.526   4.632  -2.551
   16    HB3  ALA   2           HB3      ALA   2   8.922   4.294  -1.509
   17    H    SER   3           H        SER   3   8.112   2.781   0.946
   18    HA   SER   3           HA       SER   3   5.551   3.393   2.077
   19    HB2  SER   3           HB2      SER   3   8.302   3.530   3.381
   20    HB3  SER   3           HB3      SER   3   6.744   3.265   4.184
   21    HG   SER   3           HG       SER   3   7.912   1.316   3.879
   22    H    VAL   4           H        VAL   4   6.823   5.404   0.202
   23    HA   VAL   4           HA       VAL   4   7.573   7.750   1.683
   24    HB   VAL   4           HB       VAL   4   8.285   7.034  -0.641
   25   HG11  VAL   4          HG11      VAL   4   6.922   7.394  -2.549
   26   HG12  VAL   4          HG12      VAL   4   5.985   6.405  -1.427
   27   HG13  VAL   4          HG13      VAL   4   5.628   8.128  -1.586
   28   HG21  VAL   4          HG21      VAL   4   7.152   9.845  -0.457
   29   HG22  VAL   4          HG22      VAL   4   8.728   9.311   0.156
   30   HG23  VAL   4          HG23      VAL   4   8.403   9.282  -1.584
   31    H    GLU   5           H        GLU   5   4.513   6.356   0.767
   32    HA   GLU   5           HA       GLU   5   2.863   8.607   0.491
   33    HB2  GLU   5           HB2      GLU   5   1.025   7.029   0.996
   34    HB3  GLU   5           HB3      GLU   5   2.185   6.378  -0.159
   35    HG2  GLU   5           HG2      GLU   5   3.260   5.089   1.758
   36    HG3  GLU   5           HG3      GLU   5   1.964   5.674   2.802
   37    H    ARG   6           H        ARG   6   1.483   9.741   1.937
   38    HA   ARG   6           HA       ARG   6   2.424  10.230   4.591
   39    HB2  ARG   6           HB2      ARG   6  -0.419  10.676   3.553
   40    HB3  ARG   6           HB3      ARG   6   0.326  11.408   4.968
   41    HG2  ARG   6           HG2      ARG   6   2.002  12.524   3.373
   42    HG3  ARG   6           HG3      ARG   6   1.002  11.908   2.049
   43    HD2  ARG   6           HD2      ARG   6   0.251  14.115   2.383
   44    HD3  ARG   6           HD3      ARG   6  -0.989  13.100   3.148
   45    HE   ARG   6           HE       ARG   6   0.462  13.564   5.282
   46   HH11  ARG   6          HH11      ARG   6  -0.410  16.029   2.785
   47   HH12  ARG   6          HH12      ARG   6  -0.120  17.331   3.871
   48   HH21  ARG   6          HH21      ARG   6   0.734  15.344   6.661
   49   HH22  ARG   6          HH22      ARG   6   0.469  16.948   6.100
   50    H    ASP   7           H        ASP   7  -0.141   8.140   3.279
   51    HA   ASP   7           HA       ASP   7  -0.292   6.264   5.431
   52    HB2  ASP   7           HB2      ASP   7  -1.411   8.162   6.577
   53    HB3  ASP   7           HB3      ASP   7  -2.406   8.463   5.156
   54    H    GLU   8           H        GLU   8  -2.163   4.716   4.797
   55    HA   GLU   8           HA       GLU   8  -2.322   4.185   2.032
   56    HB2  GLU   8           HB2      GLU   8  -4.018   2.558   2.604
   57    HB3  GLU   8           HB3      GLU   8  -2.689   2.502   3.760
   58    HG2  GLU   8           HG2      GLU   8  -4.078   3.856   5.363
   59    HG3  GLU   8           HG3      GLU   8  -5.413   3.802   4.209
   60    H    THR   9           H        THR   9  -4.102   6.537   3.887
   61    HA   THR   9           HA       THR   9  -6.334   7.101   2.341
   62    HB   THR   9           HB       THR   9  -4.217   8.872   3.593
   63    HG1  THR   9           HG1      THR   9  -5.224   7.646   5.066
   64   HG21  THR   9          HG21      THR   9  -6.966   9.742   2.624
   65   HG22  THR   9          HG22      THR   9  -5.912  10.680   3.717
   66   HG23  THR   9          HG23      THR   9  -5.385  10.349   2.072
   67    H    ARG  10           H        ARG  10  -2.880   7.657   1.413
   68    HA   ARG  10           HA       ARG  10  -3.503   9.260  -0.911
   69    HB2  ARG  10           HB2      ARG  10  -1.083   7.516  -0.224
   70    HB3  ARG  10           HB3      ARG  10  -1.179   8.581  -1.623
   71    HG2  ARG  10           HG2      ARG  10  -1.308   9.514   1.276
   72    HG3  ARG  10           HG3      ARG  10   0.102   9.559   0.223
   73    HD2  ARG  10           HD2      ARG  10  -0.489  11.568  -0.467
   74    HD3  ARG  10           HD3      ARG  10  -1.864  10.856  -1.306
   75    HE   ARG  10           HE       ARG  10  -3.035  11.132   1.010
   76   HH11  ARG  10          HH11      ARG  10  -0.850  13.473  -0.555
   77   HH12  ARG  10          HH12      ARG  10  -1.400  14.812   0.410
   78   HH21  ARG  10          HH21      ARG  10  -3.912  12.997   2.090
   79   HH22  ARG  10          HH22      ARG  10  -3.255  14.572   1.762
   80    H    GLU  11           H        GLU  11  -2.813   5.751  -0.492
   81    HA   GLU  11           HA       GLU  11  -3.071   5.033  -3.219
   82    HB2  GLU  11           HB2      GLU  11  -3.733   3.397  -0.730
   83    HB3  GLU  11           HB3      GLU  11  -3.483   2.745  -2.343
   84    HG2  GLU  11           HG2      GLU  11  -1.356   4.221  -0.728
   85    HG3  GLU  11           HG3      GLU  11  -1.548   2.474  -0.780
   86    H    HIS  12           H        HIS  12  -5.493   5.265  -0.573
   87    HA   HIS  12           HA       HIS  12  -7.706   4.334  -2.135
   88    HB2  HIS  12           HB2      HIS  12  -7.556   6.050   0.373
   89    HB3  HIS  12           HB3      HIS  12  -9.074   5.568  -0.378
   90    HD1  HIS  12           HD1      HIS  12  -5.989   3.832   1.212
   91    HD2  HIS  12           HD2      HIS  12 -10.014   3.187   0.162
   92    HE1  HIS  12           HE1      HIS  12  -6.620   1.540   2.150
   93    H    ARG  13           H        ARG  13  -6.563   7.729  -1.469
   94    HA   ARG  13           HA       ARG  13  -8.638   8.969  -2.989
   95    HB2  ARG  13           HB2      ARG  13  -5.805   9.813  -2.244
   96    HB3  ARG  13           HB3      ARG  13  -6.849  10.856  -3.201
   97    HG2  ARG  13           HG2      ARG  13  -7.709   9.783  -0.485
   98    HG3  ARG  13           HG3      ARG  13  -6.790  11.282  -0.683
   99    HD2  ARG  13           HD2      ARG  13  -8.548  12.231  -2.099
  100    HD3  ARG  13           HD3      ARG  13  -9.498  10.738  -1.982
  101    HE   ARG  13           HE       ARG  13  -9.043  11.488   0.640
  102   HH11  ARG  13          HH11      ARG  13 -10.599  13.035  -2.183
  103   HH12  ARG  13          HH12      ARG  13 -11.713  13.940  -1.213
  104   HH21  ARG  13          HH21      ARG  13 -10.527  12.710   1.896
  105   HH22  ARG  13          HH22      ARG  13 -11.668  13.754   1.139
  106    H    ILE  14           H        ILE  14  -5.405   7.763  -4.000
  107    HA   ILE  14           HA       ILE  14  -5.556   8.620  -6.680
  108    HB   ILE  14           HB       ILE  14  -4.183   6.313  -5.283
  109   HG12  ILE  14          HG12      ILE  14  -3.001   8.748  -6.680
  110   HG13  ILE  14          HG13      ILE  14  -3.525   8.806  -5.003
  111   HG21  ILE  14          HG21      ILE  14  -2.849   5.873  -7.301
  112   HG22  ILE  14          HG22      ILE  14  -4.540   5.518  -7.583
  113   HG23  ILE  14          HG23      ILE  14  -3.839   7.026  -8.226
  114   HD11  ILE  14          HD11      ILE  14  -1.155   8.419  -5.081
  115   HD12  ILE  14          HD12      ILE  14  -1.962   6.976  -4.424
  116   HD13  ILE  14          HD13      ILE  14  -1.348   6.982  -6.093
  117    H    GLU  15           H        GLU  15  -6.494   5.412  -5.312
  118    HA   GLU  15           HA       GLU  15  -7.492   4.464  -7.767
  119    HB2  GLU  15           HB2      GLU  15  -6.714   3.028  -5.973
  120    HB3  GLU  15           HB3      GLU  15  -7.952   3.630  -4.861
  121    HG2  GLU  15           HG2      GLU  15  -9.719   2.592  -6.137
  122    HG3  GLU  15           HG3      GLU  15  -8.596   2.127  -7.424
  123    H    THR  16           H        THR  16  -9.236   6.120  -5.113
  124    HA   THR  16           HA       THR  16 -11.795   5.602  -6.496
  125    HB   THR  16           HB       THR  16 -12.851   6.038  -4.374
  126    HG1  THR  16           HG1      THR  16 -10.223   6.456  -3.380
  127   HG21  THR  16          HG21      THR  16 -12.057   4.120  -3.128
  128   HG22  THR  16          HG22      THR  16 -12.007   3.752  -4.859
  129   HG23  THR  16          HG23      THR  16 -10.504   4.129  -3.989
  130    H    GLU  17           H        GLU  17  -9.679   8.112  -6.625
  131    HA   GLU  17           HA       GLU  17 -11.879   9.940  -7.384
  132    HB2  GLU  17           HB2      GLU  17 -11.326  10.430  -5.028
  133    HB3  GLU  17           HB3      GLU  17  -9.655  10.786  -5.487
  134    HG2  GLU  17           HG2      GLU  17 -10.338  12.683  -6.817
  135    HG3  GLU  17           HG3      GLU  17 -12.044  12.244  -6.653
  136    H    ILE  18           H        ILE  18  -8.255   9.525  -7.388
  137    HA   ILE  18           HA       ILE  18  -8.064  11.525  -9.476
  138    HB   ILE  18           HB       ILE  18  -5.915   9.596  -8.542
  139   HG12  ILE  18          HG12      ILE  18  -6.752  12.354  -7.522
  140   HG13  ILE  18          HG13      ILE  18  -6.785  10.852  -6.618
  141   HG21  ILE  18          HG21      ILE  18  -5.689  12.299  -9.925
  142   HG22  ILE  18          HG22      ILE  18  -4.351  11.240  -9.434
  143   HG23  ILE  18          HG23      ILE  18  -5.434  10.731 -10.714
  144   HD11  ILE  18          HD11      ILE  18  -4.933  12.088  -5.823
  145   HD12  ILE  18          HD12      ILE  18  -4.276  10.745  -6.781
  146   HD13  ILE  18          HD13      ILE  18  -4.317  12.394  -7.452
  147    H    ILE  19           H        ILE  19  -7.693   7.916  -9.480
  148    HA   ILE  19           HA       ILE  19  -7.981   7.974 -12.452
  149    HB   ILE  19           HB       ILE  19  -6.604   5.973 -12.472
  150   HG12  ILE  19          HG12      ILE  19  -5.866   6.702  -9.611
  151   HG13  ILE  19          HG13      ILE  19  -7.019   5.408 -10.011
  152   HG21  ILE  19          HG21      ILE  19  -4.512   7.180 -12.354
  153   HG22  ILE  19          HG22      ILE  19  -5.755   8.274 -12.955
  154   HG23  ILE  19          HG23      ILE  19  -5.206   8.399 -11.270
  155   HD11  ILE  19          HD11      ILE  19  -5.217   4.402 -11.439
  156   HD12  ILE  19          HD12      ILE  19  -4.092   5.594 -10.718
  157   HD13  ILE  19          HD13      ILE  19  -4.929   4.400  -9.674
  158    H    VAL  20           H        VAL  20  -9.985   7.502 -10.014
  159    HA   VAL  20           HA       VAL  20 -11.041   4.944 -10.273
  160    HB   VAL  20           HB       VAL  20 -11.604   6.679  -8.617
  161   HG11  VAL  20          HG11      VAL  20 -12.001   8.625 -10.093
  162   HG12  VAL  20          HG12      VAL  20 -13.507   7.868 -10.658
  163   HG13  VAL  20          HG13      VAL  20 -13.326   8.336  -8.960
  164   HG21  VAL  20          HG21      VAL  20 -12.951   4.635  -8.791
  165   HG22  VAL  20          HG22      VAL  20 -13.911   6.017  -8.238
  166   HG23  VAL  20          HG23      VAL  20 -14.057   5.455  -9.916
  167    H    ASP  21           H        ASP  21 -11.470   7.710 -12.473
  168    HA   ASP  21           HA       ASP  21 -13.541   6.425 -14.063
  169    HB2  ASP  21           HB2      ASP  21 -13.377   8.873 -13.728
  170    HB3  ASP  21           HB3      ASP  21 -11.819   8.885 -14.558
  171    H    ALA  22           H        ALA  22 -10.150   6.007 -13.897
  172    HA   ALA  22           HA       ALA  22  -9.637   5.813 -16.762
  173    HB1  ALA  22           HB1      ALA  22  -7.947   6.690 -15.118
  174    HB2  ALA  22           HB2      ALA  22  -7.850   5.055 -14.412
  175    HB3  ALA  22           HB3      ALA  22  -7.362   5.326 -16.085
  176    H    GLU  23           H        GLU  23  -8.264   3.782 -17.385
  177    HA   GLU  23           HA       GLU  23  -9.147   1.256 -16.205
  178    HB2  GLU  23           HB2      GLU  23 -10.965   1.789 -17.816
  179    HB3  GLU  23           HB3      GLU  23  -9.778   1.938 -19.117
  180    HG2  GLU  23           HG2      GLU  23  -9.160  -0.444 -18.842
  181    HG3  GLU  23           HG3      GLU  23 -10.259  -0.586 -17.468
  182    H    ASP  24           H        ASP  24  -7.426   2.900 -18.944
  183    HA   ASP  24           HA       ASP  24  -5.196   0.947 -18.637
  184    HB2  ASP  24           HB2      ASP  24  -6.673   0.697 -20.706
  185    HB3  ASP  24           HB3      ASP  24  -6.039   2.271 -21.216
  186    H    LYS  25           H        LYS  25  -3.198   1.949 -19.820
  187    HA   LYS  25           HA       LYS  25  -2.204   3.758 -17.992
  188    HB2  LYS  25           HB2      LYS  25  -1.052   3.682 -20.793
  189    HB3  LYS  25           HB3      LYS  25  -0.217   3.932 -19.265
  190    HG2  LYS  25           HG2      LYS  25  -1.414   1.400 -20.376
  191    HG3  LYS  25           HG3      LYS  25   0.284   1.753 -20.100
  192    HD2  LYS  25           HD2      LYS  25   0.013   1.697 -17.698
  193    HD3  LYS  25           HD3      LYS  25  -1.737   1.537 -17.786
  194    HE2  LYS  25           HE2      LYS  25   0.174  -0.472 -18.984
  195    HE3  LYS  25           HE3      LYS  25  -0.410  -0.555 -17.312
  196    HZ1  LYS  25           HZ1      LYS  25  -2.591  -0.933 -18.049
  197    HZ2  LYS  25           HZ2      LYS  25  -2.308  -0.513 -19.597
  198    HZ3  LYS  25           HZ3      LYS  25  -1.684  -1.904 -18.985
  199    H    GLU  26           H        GLU  26  -3.499   4.535 -21.205
  200    HA   GLU  26           HA       GLU  26  -2.551   7.226 -21.149
  201    HB2  GLU  26           HB2      GLU  26  -4.774   5.945 -22.810
  202    HB3  GLU  26           HB3      GLU  26  -4.103   7.558 -23.092
  203    HG2  GLU  26           HG2      GLU  26  -1.847   6.535 -23.446
  204    HG3  GLU  26           HG3      GLU  26  -2.550   4.932 -23.238
  205    H    GLU  27           H        GLU  27  -5.562   5.592 -20.216
  206    HA   GLU  27           HA       GLU  27  -7.052   8.000 -19.598
  207    HB2  GLU  27           HB2      GLU  27  -7.519   5.166 -18.593
  208    HB3  GLU  27           HB3      GLU  27  -8.667   6.501 -18.607
  209    HG2  GLU  27           HG2      GLU  27  -7.548   5.022 -21.019
  210    HG3  GLU  27           HG3      GLU  27  -9.180   4.924 -20.379
  211    H    ARG  28           H        ARG  28  -4.889   5.773 -17.763
  212    HA   ARG  28           HA       ARG  28  -5.494   6.933 -15.182
  213    HB2  ARG  28           HB2      ARG  28  -3.040   5.436 -16.188
  214    HB3  ARG  28           HB3      ARG  28  -3.323   5.864 -14.495
  215    HG2  ARG  28           HG2      ARG  28  -5.269   4.437 -14.352
  216    HG3  ARG  28           HG3      ARG  28  -5.268   4.155 -16.090
  217    HD2  ARG  28           HD2      ARG  28  -2.927   3.118 -15.773
  218    HD3  ARG  28           HD3      ARG  28  -3.307   3.100 -14.038
  219    HE   ARG  28           HE       ARG  28  -5.382   1.945 -15.729
  220   HH11  ARG  28          HH11      ARG  28  -2.329   1.146 -14.016
  221   HH12  ARG  28          HH12      ARG  28  -2.610  -0.550 -14.115
  222   HH21  ARG  28          HH21      ARG  28  -5.676  -0.266 -15.906
  223   HH22  ARG  28          HH22      ARG  28  -4.579  -1.382 -15.155
  224    H    ALA  29           H        ALA  29  -2.948   7.645 -17.640
  225    HA   ALA  29           HA       ALA  29  -1.759   9.797 -16.242
  226    HB1  ALA  29           HB1      ALA  29  -2.121   9.472 -19.252
  227    HB2  ALA  29           HB2      ALA  29  -0.898  10.463 -18.416
  228    HB3  ALA  29           HB3      ALA  29  -0.849   8.694 -18.293
  229    H    MET  30           H        MET  30  -4.599   9.780 -18.500
  230    HA   MET  30           HA       MET  30  -5.029  12.598 -18.271
  231    HB2  MET  30           HB2      MET  30  -6.856  10.326 -19.095
  232    HB3  MET  30           HB3      MET  30  -7.358  12.015 -19.089
  233    HG2  MET  30           HG2      MET  30  -5.050  10.872 -20.709
  234    HG3  MET  30           HG3      MET  30  -6.637  11.323 -21.307
  235    HE1  MET  30           HE1      MET  30  -3.000  14.017 -20.811
  236    HE2  MET  30           HE2      MET  30  -3.359  12.924 -19.468
  237    HE3  MET  30           HE3      MET  30  -3.091  12.265 -21.091
  238    H    GLY  31           H        GLY  31  -6.233   9.901 -16.247
  239    HA2  GLY  31           HA2      GLY  31  -8.075  11.334 -14.679
  240    HA3  GLY  31           HA3      GLY  31  -7.084   9.969 -14.124
  241    H    TRP  32           H        TRP  32  -4.525  10.864 -14.144
  242    HA   TRP  32           HA       TRP  32  -4.275  12.663 -11.954
  243    HB2  TRP  32           HB2      TRP  32  -2.370  11.581 -14.044
  244    HB3  TRP  32           HB3      TRP  32  -1.867  12.873 -12.969
  245    HD1  TRP  32           HD1      TRP  32  -2.340   9.171 -13.008
  246    HE1  TRP  32           HE1      TRP  32  -1.544   8.192 -10.779
  247    HE3  TRP  32           HE3      TRP  32  -1.991  13.511 -10.349
  248    HZ2  TRP  32           HZ2      TRP  32  -1.018   9.207  -8.068
  249    HZ3  TRP  32           HZ3      TRP  32  -1.326  13.490  -7.955
  250    HH2  TRP  32           HH2      TRP  32  -0.819  11.336  -6.823
  251    H    TYR  33           H        TYR  33  -3.910  13.251 -15.504
  252    HA   TYR  33           HA       TYR  33  -3.038  15.895 -15.280
  253    HB2  TYR  33           HB2      TYR  33  -2.912  14.712 -17.391
  254    HB3  TYR  33           HB3      TYR  33  -4.666  14.542 -17.455
  255    HD1  TYR  33           HD1      TYR  33  -1.901  17.030 -17.637
  256    HD2  TYR  33           HD2      TYR  33  -6.103  16.291 -18.236
  257    HE1  TYR  33           HE1      TYR  33  -2.138  19.244 -18.706
  258    HE2  TYR  33           HE2      TYR  33  -6.375  18.541 -19.205
  259    HH   TYR  33           HH       TYR  33  -5.302  20.514 -19.856
  260    H    TYR  34           H        TYR  34  -6.478  14.771 -15.682
  261    HA   TYR  34           HA       TYR  34  -7.396  17.504 -15.651
  262    HB2  TYR  34           HB2      TYR  34  -8.860  14.851 -15.459
  263    HB3  TYR  34           HB3      TYR  34  -9.665  16.414 -15.486
  264    HD1  TYR  34           HD2      TYR  34  -8.849  18.070 -17.468
  265    HD2  TYR  34           HD1      TYR  34  -8.610  13.763 -17.556
  266    HE1  TYR  34           HE2      TYR  34  -8.873  18.129 -19.935
  267    HE2  TYR  34           HE1      TYR  34  -8.600  13.815 -20.037
  268    HH   TYR  34           HH       TYR  34  -8.798  16.880 -21.902
  269    H    TYR  35           H        TYR  35  -7.020  14.983 -13.111
  270    HA   TYR  35           HA       TYR  35  -8.503  16.373 -11.106
  271    HB2  TYR  35           HB2      TYR  35  -7.814  14.022 -10.916
  272    HB3  TYR  35           HB3      TYR  35  -6.118  14.495 -10.904
  273    HD1  TYR  35           HD1      TYR  35  -9.345  15.014  -9.028
  274    HD2  TYR  35           HD2      TYR  35  -5.039  14.847  -8.834
  275    HE1  TYR  35           HE1      TYR  35  -9.447  15.259  -6.567
  276    HE2  TYR  35           HE2      TYR  35  -5.124  15.119  -6.384
  277    HH   TYR  35           HH       TYR  35  -6.497  15.366  -4.510
  278    H    LEU  36           H        LEU  36  -5.015  16.526 -12.058
  279    HA   LEU  36           HA       LEU  36  -4.323  18.485 -10.066
  280    HB2  LEU  36           HB2      LEU  36  -3.035  17.259 -12.493
  281    HB3  LEU  36           HB3      LEU  36  -2.422  18.809 -11.969
  282    HG   LEU  36           HG       LEU  36  -1.743  18.033  -9.846
  283   HD11  LEU  36          HD11      LEU  36  -2.077  15.689  -9.052
  284   HD12  LEU  36          HD12      LEU  36  -3.566  16.628  -9.104
  285   HD13  LEU  36          HD13      LEU  36  -3.234  15.441 -10.384
  286   HD21  LEU  36          HD21      LEU  36  -0.341  17.373 -11.819
  287   HD22  LEU  36          HD22      LEU  36  -0.161  16.259 -10.447
  288   HD23  LEU  36          HD23      LEU  36  -1.165  15.804 -11.842
  289    H    ASP  37           H        ASP  37  -5.266  18.744 -13.553
  290    HA   ASP  37           HA       ASP  37  -4.966  21.552 -13.702
  291    HB2  ASP  37           HB2      ASP  37  -5.284  20.133 -15.681
  292    HB3  ASP  37           HB3      ASP  37  -6.894  19.671 -15.124
  293    H    ASP  38           H        ASP  38  -7.648  19.603 -12.362
  294    HA   ASP  38           HA       ASP  38  -9.363  21.930 -11.992
  295    HB2  ASP  38           HB2      ASP  38 -10.270  19.672 -12.373
  296    HB3  ASP  38           HB3      ASP  38  -9.504  19.099 -10.889
  297    H    THR  39           H        THR  39  -6.734  20.483 -10.185
  298    HA   THR  39           HA       THR  39  -7.805  21.507  -7.595
  299    HB   THR  39           HB       THR  39  -5.514  19.628  -8.287
  300    HG1  THR  39           HG1      THR  39  -7.355  18.618  -8.627
  301   HG21  THR  39          HG21      THR  39  -6.527  20.658  -5.622
  302   HG22  THR  39          HG22      THR  39  -5.687  19.098  -5.767
  303   HG23  THR  39          HG23      THR  39  -4.873  20.602  -6.232
  304    H    LEU  40           H        LEU  40  -4.895  21.810  -9.690
  305    HA   LEU  40           HA       LEU  40  -3.378  23.242  -7.710
  306    HB2  LEU  40           HB2      LEU  40  -3.071  23.008 -10.723
  307    HB3  LEU  40           HB3      LEU  40  -1.852  23.699  -9.658
  308    HG   LEU  40           HG       LEU  40  -2.817  20.820  -9.393
  309   HD11  LEU  40          HD11      LEU  40  -0.781  20.199 -10.693
  310   HD12  LEU  40          HD12      LEU  40  -1.878  21.196 -11.664
  311   HD13  LEU  40          HD13      LEU  40  -0.421  21.918 -10.953
  312   HD21  LEU  40          HD21      LEU  40  -0.289  22.145  -8.391
  313   HD22  LEU  40          HD22      LEU  40  -1.676  21.575  -7.419
  314   HD23  LEU  40          HD23      LEU  40  -0.687  20.416  -8.297
  315    H    GLU  41           H        GLU  41  -3.607  25.350  -7.138
  316    HA   GLU  41           HA       GLU  41  -5.401  27.061  -8.715
  317    HB2  GLU  41           HB2      GLU  41  -4.130  27.478  -5.979
  318    HB3  GLU  41           HB3      GLU  41  -5.263  28.579  -6.783
  319    HG2  GLU  41           HG2      GLU  41  -6.854  26.538  -6.956
  320    HG3  GLU  41           HG3      GLU  41  -5.812  25.783  -5.748
  321    H    PHE  42           H        PHE  42  -3.400  26.676 -10.337
  322    HA   PHE  42           HA       PHE  42  -1.231  28.553 -10.122
  323    HB2  PHE  42           HB2      PHE  42  -1.051  28.099 -12.633
  324    HB3  PHE  42           HB3      PHE  42  -0.802  26.772 -11.528
  325    HD1  PHE  42           HD2      PHE  42  -3.506  28.350 -13.648
  326    HD2  PHE  42           HD1      PHE  42  -1.874  24.742 -11.933
  327    HE1  PHE  42           HE2      PHE  42  -5.183  27.001 -14.878
  328    HE2  PHE  42           HE1      PHE  42  -3.570  23.402 -13.149
  329    HZ   PHE  42           HZ       PHE  42  -5.226  24.529 -14.622
  330    HA   PRO  43           HA       PRO  43  -0.088  29.881 -11.936
  331    HB2  PRO  43           HB2      PRO  43   0.779  32.470 -11.760
  332    HB3  PRO  43           HB3      PRO  43   0.054  31.773 -13.237
  333    HG2  PRO  43           HG2      PRO  43  -1.316  33.431 -11.100
  334    HG3  PRO  43           HG3      PRO  43  -1.408  33.622 -12.880
  335    HD2  PRO  43           HD2      PRO  43  -3.326  32.290 -11.456
  336    HD3  PRO  43           HD3      PRO  43  -2.846  31.762 -13.095
  337    H    PHE  44           H        PHE  44   1.630  29.758 -10.435
  338    HA   PHE  44           HA       PHE  44   1.366  30.975  -7.790
  339    HB2  PHE  44           HB2      PHE  44   1.494  28.936  -6.541
  340    HB3  PHE  44           HB3      PHE  44   0.037  28.918  -7.509
  341    HD1  PHE  44           HD1      PHE  44   3.491  27.545  -7.252
  342    HD2  PHE  44           HD2      PHE  44  -0.426  26.996  -8.907
  343    HE1  PHE  44           HE1      PHE  44   4.157  25.307  -8.020
  344    HE2  PHE  44           HE2      PHE  44   0.236  24.751  -9.717
  345    HZ   PHE  44           HZ       PHE  44   2.523  23.886  -9.271
  346    H    MET  45           H        MET  45   3.448  30.608  -6.525
  347    HA   MET  45           HA       MET  45   5.712  30.725  -8.427
  348    HB2  MET  45           HB2      MET  45   5.353  32.456  -6.649
  349    HB3  MET  45           HB3      MET  45   5.514  31.198  -5.411
  350    HG2  MET  45           HG2      MET  45   7.827  30.739  -6.247
  351    HG3  MET  45           HG3      MET  45   7.642  32.061  -7.404
  352    HE1  MET  45           HE1      MET  45   9.978  31.653  -5.483
  353    HE2  MET  45           HE2      MET  45   9.879  33.089  -6.521
  354    HE3  MET  45           HE3      MET  45  10.265  33.272  -4.791
  355    H    GLY  46           H        GLY  46   7.472  29.152  -8.414
  356    HA2  GLY  46           HA2      GLY  46   7.586  27.283  -6.176
  357    HA3  GLY  46           HA3      GLY  46   7.235  26.543  -7.749
  358    H    LYS  47           H        LYS  47   9.442  25.809  -6.454
  359    HA   LYS  47           HA       LYS  47  11.681  27.163  -7.885
  360    HB2  LYS  47           HB2      LYS  47  11.865  26.489  -5.334
  361    HB3  LYS  47           HB3      LYS  47  11.940  24.838  -5.923
  362    HG2  LYS  47           HG2      LYS  47  14.202  25.476  -5.710
  363    HG3  LYS  47           HG3      LYS  47  13.881  25.611  -7.436
  364    HD2  LYS  47           HD2      LYS  47  15.147  27.527  -6.835
  365    HD3  LYS  47           HD3      LYS  47  13.497  28.108  -7.079
  366    HE2  LYS  47           HE2      LYS  47  13.095  28.208  -4.687
  367    HE3  LYS  47           HE3      LYS  47  14.640  27.419  -4.341
  368    HZ1  LYS  47           HZ1      LYS  47  14.671  29.873  -4.086
  369    HZ2  LYS  47           HZ2      LYS  47  15.793  29.335  -5.138
  370    HZ3  LYS  47           HZ3      LYS  47  14.442  30.047  -5.706
  371    H    TRP  48           H        TRP  48  12.395  26.208  -9.715
  372    HA   TRP  48           HA       TRP  48  11.339  23.563 -10.546
  373    HB2  TRP  48           HB2      TRP  48  11.361  25.485 -12.162
  374    HB3  TRP  48           HB3      TRP  48  13.105  25.576 -12.009
  375    HD1  TRP  48           HD1      TRP  48  12.367  22.012 -12.092
  376    HE1  TRP  48           HE1      TRP  48  12.595  21.002 -14.384
  377    HE3  TRP  48           HE3      TRP  48  12.369  26.332 -14.834
  378    HZ2  TRP  48           HZ2      TRP  48  12.766  21.942 -17.146
  379    HZ3  TRP  48           HZ3      TRP  48  12.502  26.238 -17.307
  380    HH2  TRP  48           HH2      TRP  48  12.710  24.048 -18.471
  381    H    LYS  49           H        LYS  49  12.432  22.030  -9.422
  382    HA   LYS  49           HA       LYS  49  15.298  22.251  -8.777
  383    HB2  LYS  49           HB2      LYS  49  12.971  20.512  -7.834
  384    HB3  LYS  49           HB3      LYS  49  14.653  20.103  -7.483
  385    HG2  LYS  49           HG2      LYS  49  15.011  22.162  -6.274
  386    HG3  LYS  49           HG3      LYS  49  13.457  22.820  -6.788
  387    HD2  LYS  49           HD2      LYS  49  13.396  22.131  -4.463
  388    HD3  LYS  49           HD3      LYS  49  12.248  21.204  -5.438
  389    HE2  LYS  49           HE2      LYS  49  13.657  19.252  -5.416
  390    HE3  LYS  49           HE3      LYS  49  15.015  20.151  -4.722
  391    HZ1  LYS  49           HZ1      LYS  49  13.860  20.339  -2.677
  392    HZ2  LYS  49           HZ2      LYS  49  12.442  19.800  -3.282
  393    HZ3  LYS  49           HZ3      LYS  49  13.719  18.775  -3.112
  394    H    LYS  50           H        LYS  50  15.560  22.245 -11.124
  395    HA   LYS  50           HA       LYS  50  14.581  20.086 -12.802
  396    HB2  LYS  50           HB2      LYS  50  15.272  22.412 -13.599
  397    HB3  LYS  50           HB3      LYS  50  16.950  21.927 -13.314
  398    HG2  LYS  50           HG2      LYS  50  16.494  19.924 -14.844
  399    HG3  LYS  50           HG3      LYS  50  14.948  20.652 -15.244
  400    HD2  LYS  50           HD2      LYS  50  15.981  22.522 -16.291
  401    HD3  LYS  50           HD3      LYS  50  17.572  22.164 -15.599
  402    HE2  LYS  50           HE2      LYS  50  16.114  20.307 -17.532
  403    HE3  LYS  50           HE3      LYS  50  17.267  21.535 -18.057
  404    HZ1  LYS  50           HZ1      LYS  50  18.994  20.439 -16.843
  405    HZ2  LYS  50           HZ2      LYS  50  17.979  19.345 -16.167
  406    HZ3  LYS  50           HZ3      LYS  50  18.265  19.322 -17.782
  407    H    LYS  51           H        LYS  51  15.486  17.971 -13.008
  408    HA   LYS  51           HA       LYS  51  17.821  17.222 -11.574
  409    HB2  LYS  51           HB2      LYS  51  15.956  15.782 -12.694
  410    HB3  LYS  51           HB3      LYS  51  16.966  15.858 -14.148
  411    HG2  LYS  51           HG2      LYS  51  18.846  14.828 -12.884
  412    HG3  LYS  51           HG3      LYS  51  17.875  14.885 -11.396
  413    HD2  LYS  51           HD2      LYS  51  16.167  13.395 -12.511
  414    HD3  LYS  51           HD3      LYS  51  17.240  13.279 -13.906
  415    HE2  LYS  51           HE2      LYS  51  17.480  11.304 -12.553
  416    HE3  LYS  51           HE3      LYS  51  18.983  12.222 -12.498
  417    HZ1  LYS  51           HZ1      LYS  51  18.453  12.939 -10.283
  418    HZ2  LYS  51           HZ2      LYS  51  16.914  12.351 -10.371
  419    HZ3  LYS  51           HZ3      LYS  51  18.179  11.334 -10.323
  420    H    SER  52           H        SER  52  20.025  17.174 -12.097
  421    HA   SER  52           HA       SER  52  20.966  19.213 -13.763
  422    HB2  SER  52           HB2      SER  52  22.468  16.791 -12.712
  423    HB3  SER  52           HB3      SER  52  23.205  18.290 -13.286
  424    HG   SER  52           HG       SER  52  22.583  19.324 -11.529
  425    H    ARG  53           H        ARG  53  22.526  19.069 -15.496
  426    HA   ARG  53           HA       ARG  53  21.229  18.255 -17.788
  427    HB2  ARG  53           HB2      ARG  53  22.895  20.080 -17.491
  428    HB3  ARG  53           HB3      ARG  53  24.191  18.880 -17.417
  429    HG2  ARG  53           HG2      ARG  53  23.697  18.171 -19.738
  430    HG3  ARG  53           HG3      ARG  53  22.332  19.303 -19.805
  431    HD2  ARG  53           HD2      ARG  53  23.875  21.202 -19.490
  432    HD3  ARG  53           HD3      ARG  53  25.249  20.103 -19.370
  433    HE   ARG  53           HE       ARG  53  23.760  20.909 -21.769
  434   HH11  ARG  53          HH12      ARG  53  26.165  18.638 -20.468
  435   HH12  ARG  53          HH11      ARG  53  26.805  18.214 -22.011
  436   HH21  ARG  53          HH22      ARG  53  24.616  20.346 -23.820
  437   HH22  ARG  53          HH21      ARG  53  25.904  19.212 -23.957
  438    H    LYS  54           H        LYS  54  23.652  16.374 -16.003
  439    HA   LYS  54           HA       LYS  54  22.939  14.033 -17.644
  440    HB2  LYS  54           HB2      LYS  54  24.942  15.016 -18.763
  441    HB3  LYS  54           HB3      LYS  54  25.850  14.879 -17.251
  442    HG2  LYS  54           HG2      LYS  54  25.585  12.414 -17.306
  443    HG3  LYS  54           HG3      LYS  54  24.601  12.549 -18.778
  444    HD2  LYS  54           HD2      LYS  54  26.551  13.518 -19.987
  445    HD3  LYS  54           HD3      LYS  54  27.503  13.450 -18.501
  446    HE2  LYS  54           HE2      LYS  54  28.148  11.583 -19.850
  447    HE3  LYS  54           HE3      LYS  54  27.259  10.969 -18.455
  448    HZ1  LYS  54           HZ1      LYS  54  25.319  10.704 -19.897
  449    HZ2  LYS  54           HZ2      LYS  54  26.138  11.307 -21.182
  450    HZ3  LYS  54           HZ3      LYS  54  26.588   9.893 -20.514
  451    H    THR  55           H        THR  55  25.001  15.262 -14.929
  452    HA   THR  55           HA       THR  55  25.089  12.967 -13.396
  453    HB   THR  55           HB       THR  55  24.838  15.792 -12.306
  454    HG1  THR  55           HG1      THR  55  26.928  16.169 -12.946
  455   HG21  THR  55          HG21      THR  55  26.667  13.452 -11.562
  456   HG22  THR  55          HG22      THR  55  26.684  15.062 -10.805
  457   HG23  THR  55          HG23      THR  55  25.271  14.025 -10.621
  458    H    SER  56           H        SER  56  23.840  12.258 -11.527
  459    HA   SER  56           HA       SER  56  21.039  12.345 -11.877
  460    HB2  SER  56           HB2      SER  56  22.583  11.459  -9.410
  461    HB3  SER  56           HB3      SER  56  21.029  10.837  -9.986
  462    HG   SER  56           HG       SER  56  22.095   9.924 -11.759
  463    H    THR  57           H        THR  57  22.895  14.794 -10.525
  464    HA   THR  57           HA       THR  57  21.554  15.370  -8.078
  465    HB   THR  57           HB       THR  57  23.053  17.497  -8.426
  466    HG1  THR  57           HG1      THR  57  23.325  17.338 -10.630
  467   HG21  THR  57          HG21      THR  57  25.092  16.230  -7.896
  468   HG22  THR  57          HG22      THR  57  23.703  15.608  -6.991
  469   HG23  THR  57          HG23      THR  57  24.310  14.715  -8.401
  470    H    ILE  58           H        ILE  58  21.230  18.100  -8.074
  471    HA   ILE  58           HA       ILE  58  18.868  18.610  -9.824
  472    HB   ILE  58           HB       ILE  58  19.201  18.971  -6.828
  473   HG12  ILE  58          HG12      ILE  58  18.559  16.664  -7.478
  474   HG13  ILE  58          HG13      ILE  58  17.357  17.484  -6.502
  475   HG21  ILE  58          HG21      ILE  58  18.054  20.933  -7.597
  476   HG22  ILE  58          HG22      ILE  58  16.960  19.974  -8.605
  477   HG23  ILE  58          HG23      ILE  58  16.877  19.876  -6.824
  478   HD11  ILE  58          HD11      ILE  58  17.172  17.125  -9.520
  479   HD12  ILE  58          HD12      ILE  58  16.353  16.135  -8.305
  480   HD13  ILE  58          HD13      ILE  58  15.931  17.844  -8.468
  481    H    GLU  59           H        GLU  59  18.746  20.637 -10.549
  482    HA   GLU  59           HA       GLU  59  20.731  22.695  -9.757
  483    HB2  GLU  59           HB2      GLU  59  19.216  22.436 -12.380
  484    HB3  GLU  59           HB3      GLU  59  20.385  23.688 -11.962
  485    HG2  GLU  59           HG2      GLU  59  20.910  20.729 -12.286
  486    HG3  GLU  59           HG3      GLU  59  21.366  21.966 -13.452
  487    H    GLU  60           H        GLU  60  19.604  24.864  -9.490
  488    HA   GLU  60           HA       GLU  60  16.665  24.563  -9.004
  489    HB2  GLU  60           HB2      GLU  60  18.788  25.819  -7.228
  490    HB3  GLU  60           HB3      GLU  60  17.041  26.015  -7.009
  491    HG2  GLU  60           HG2      GLU  60  16.778  23.568  -6.806
  492    HG3  GLU  60           HG3      GLU  60  18.522  23.354  -6.987
  493    H    LYS  61           H        LYS  61  15.465  25.971 -10.057
  494    HA   LYS  61           HA       LYS  61  16.508  28.763 -10.455
  495    HB2  LYS  61           HB2      LYS  61  14.878  27.051 -12.392
  496    HB3  LYS  61           HB3      LYS  61  15.145  28.788 -12.569
  497    HG2  LYS  61           HG2      LYS  61  17.586  28.420 -12.708
  498    HG3  LYS  61           HG3      LYS  61  17.347  26.672 -12.578
  499    HD2  LYS  61           HD2      LYS  61  16.233  28.427 -14.808
  500    HD3  LYS  61           HD3      LYS  61  17.711  27.457 -14.911
  501    HE2  LYS  61           HE2      LYS  61  16.379  25.388 -14.481
  502    HE3  LYS  61           HE3      LYS  61  14.902  26.358 -14.437
  503    HZ1  LYS  61           HZ1      LYS  61  15.361  27.005 -16.750
  504    HZ2  LYS  61           HZ2      LYS  61  16.681  26.042 -16.787
  505    HZ3  LYS  61           HZ3      LYS  61  15.192  25.389 -16.605
  506    H    THR  62           H        THR  62  14.811  30.353 -10.194
  507    HA   THR  62           HA       THR  62  12.474  29.291  -8.667
  508    HB   THR  62           HB       THR  62  13.480  32.156  -8.763
  509    HG1  THR  62           HG1      THR  62  15.155  31.017  -7.894
  510   HG21  THR  62          HG21      THR  62  12.315  32.292  -6.607
  511   HG22  THR  62          HG22      THR  62  11.198  31.790  -7.892
  512   HG23  THR  62          HG23      THR  62  11.820  30.586  -6.740
  513    H    VAL  63           H        VAL  63  10.423  29.516  -9.537
  514    HA   VAL  63           HA       VAL  63  10.166  31.079 -12.035
  515    HB   VAL  63           HB       VAL  63   9.239  29.215 -13.219
  516   HG11  VAL  63          HG11      VAL  63  11.942  28.318 -12.148
  517   HG12  VAL  63          HG12      VAL  63  11.192  27.925 -13.707
  518   HG13  VAL  63          HG13      VAL  63  11.704  29.581 -13.374
  519   HG21  VAL  63          HG21      VAL  63   9.344  26.895 -12.438
  520   HG22  VAL  63          HG22      VAL  63   9.984  27.417 -10.865
  521   HG23  VAL  63          HG23      VAL  63   8.331  27.845 -11.351
  522    H    GLU  64           H        GLU  64   8.047  31.405 -12.700
  523    HA   GLU  64           HA       GLU  64   5.921  31.124 -10.622
  524    HB2  GLU  64           HB2      GLU  64   6.369  33.433 -11.553
  525    HB3  GLU  64           HB3      GLU  64   5.917  32.836 -13.152
  526    HG2  GLU  64           HG2      GLU  64   3.662  32.246 -12.308
  527    HG3  GLU  64           HG3      GLU  64   4.135  32.696 -10.673
  528    H    VAL  65           H        VAL  65   4.742  29.331 -10.930
  529    HA   VAL  65           HA       VAL  65   4.777  27.816 -13.447
  530    HB   VAL  65           HB       VAL  65   3.273  27.317 -10.822
  531   HG11  VAL  65          HG11      VAL  65   3.170  24.975 -11.662
  532   HG12  VAL  65          HG12      VAL  65   2.345  26.090 -12.756
  533   HG13  VAL  65          HG13      VAL  65   3.973  25.497 -13.157
  534   HG21  VAL  65          HG21      VAL  65   5.093  25.615 -10.386
  535   HG22  VAL  65          HG22      VAL  65   6.010  26.321 -11.733
  536   HG23  VAL  65          HG23      VAL  65   5.648  27.285 -10.284
  537    H    LEU  66           H        LEU  66   3.336  28.215 -14.991
  538    HA   LEU  66           HA       LEU  66   1.338  30.309 -14.475
  539    HB2  LEU  66           HB2      LEU  66   2.090  28.994 -17.103
  540    HB3  LEU  66           HB3      LEU  66   1.303  30.552 -16.859
  541    HG   LEU  66           HG       LEU  66   4.189  29.828 -16.197
  542   HD11  LEU  66          HD11      LEU  66   3.040  31.740 -18.253
  543   HD12  LEU  66          HD12      LEU  66   4.758  31.378 -17.959
  544   HD13  LEU  66          HD13      LEU  66   3.685  30.112 -18.571
  545   HD21  LEU  66          HD21      LEU  66   3.418  31.407 -14.504
  546   HD22  LEU  66          HD22      LEU  66   4.524  32.192 -15.618
  547   HD23  LEU  66          HD23      LEU  66   2.770  32.488 -15.761
  548    H    GLY  67           H        GLY  67   1.389  26.860 -15.393
  549    HA2  GLY  67           HA2      GLY  67  -1.216  26.212 -14.748
  550    HA3  GLY  67           HA3      GLY  67  -1.253  26.744 -16.440
  551    H    MET  68           H        MET  68  -1.875  24.202 -16.022
  552    HA   MET  68           HA       MET  68   0.344  22.344 -16.250
  553    HB2  MET  68           HB2      MET  68  -2.574  22.151 -17.133
  554    HB3  MET  68           HB3      MET  68  -1.424  20.818 -17.198
  555    HG2  MET  68           HG2      MET  68  -2.150  22.262 -14.627
  556    HG3  MET  68           HG3      MET  68  -3.004  20.843 -15.213
  557    HE1  MET  68           HE1      MET  68  -0.962  18.731 -16.210
  558    HE2  MET  68           HE2      MET  68  -0.660  17.894 -14.674
  559    HE3  MET  68           HE3      MET  68  -2.297  18.471 -15.061
  560    H    ALA  69           H        ALA  69   1.199  21.425 -18.099
  561    HA   ALA  69           HA       ALA  69   1.306  23.031 -20.534
  562    HB1  ALA  69           HB1      ALA  69   2.203  20.170 -20.032
  563    HB2  ALA  69           HB2      ALA  69   2.797  21.256 -21.295
  564    HB3  ALA  69           HB3      ALA  69   3.192  21.594 -19.604
  565    HA   PRO  70           HA       PRO  70  -2.032  21.131 -22.846
  566    HB2  PRO  70           HB2      PRO  70   0.038  19.955 -24.713
  567    HB3  PRO  70           HB3      PRO  70  -1.516  20.759 -25.108
  568    HG2  PRO  70           HG2      PRO  70   0.813  22.142 -25.298
  569    HG3  PRO  70           HG3      PRO  70  -0.621  22.915 -24.545
  570    HD2  PRO  70           HD2      PRO  70   1.754  21.631 -23.191
  571    HD3  PRO  70           HD3      PRO  70   0.917  23.160 -22.782
  572    H    ASP  71           H        ASP  71  -3.174  19.241 -22.827
  573    HA   ASP  71           HA       ASP  71  -2.350  17.122 -21.165
  574    HB2  ASP  71           HB2      ASP  71  -4.390  16.088 -21.634
  575    HB3  ASP  71           HB3      ASP  71  -4.736  17.808 -21.740
  576    H    ASP  72           H        ASP  72  -1.965  17.592 -24.626
  577    HA   ASP  72           HA       ASP  72  -1.510  14.941 -25.471
  578    HB2  ASP  72           HB2      ASP  72  -1.916  16.832 -26.988
  579    HB3  ASP  72           HB3      ASP  72  -0.386  17.571 -26.508
  580    H    GLU  73           H        GLU  73   0.585  17.088 -23.638
  581    HA   GLU  73           HA       GLU  73   2.964  15.364 -24.139
  582    HB2  GLU  73           HB2      GLU  73   2.622  17.941 -22.542
  583    HB3  GLU  73           HB3      GLU  73   4.123  17.018 -22.690
  584    HG2  GLU  73           HG2      GLU  73   3.964  17.277 -25.204
  585    HG3  GLU  73           HG3      GLU  73   2.598  18.368 -24.959
  586    H    CYS  74           H        CYS  74   0.345  15.807 -21.870
  587    HA   CYS  74           HA       CYS  74   1.870  14.879 -19.584
  588    HB2  CYS  74           HB2      CYS  74  -1.056  15.642 -19.868
  589    HB3  CYS  74           HB3      CYS  74  -0.221  15.279 -18.348
  590    HG   CYS  74           HG       CYS  74   0.366  17.698 -20.552
  591    H    LEU  75           H        LEU  75   1.439  12.940 -21.836
  592    HA   LEU  75           HA       LEU  75  -0.385  10.907 -20.756
  593    HB2  LEU  75           HB2      LEU  75   1.383  11.180 -23.197
  594    HB3  LEU  75           HB3      LEU  75   0.951   9.571 -22.680
  595    HG   LEU  75           HG       LEU  75  -0.505  10.298 -24.404
  596   HD11  LEU  75          HD11      LEU  75  -1.375   8.774 -22.630
  597   HD12  LEU  75          HD12      LEU  75  -2.121  10.168 -21.820
  598   HD13  LEU  75          HD13      LEU  75  -2.637   9.707 -23.449
  599   HD21  LEU  75          HD21      LEU  75  -1.457  12.532 -22.579
  600   HD22  LEU  75          HD22      LEU  75  -0.497  12.717 -24.052
  601   HD23  LEU  75          HD23      LEU  75  -2.152  12.097 -24.152
  602    H    LYS  76           H        LYS  76   2.891  11.735 -20.225
  603    HA   LYS  76           HA       LYS  76   3.524   8.991 -19.177
  604    HB2  LYS  76           HB2      LYS  76   5.335  10.873 -20.732
  605    HB3  LYS  76           HB3      LYS  76   5.843   9.364 -19.964
  606    HG2  LYS  76           HG2      LYS  76   4.244   8.095 -21.387
  607    HG3  LYS  76           HG3      LYS  76   3.796   9.601 -22.215
  608    HD2  LYS  76           HD2      LYS  76   6.153   9.917 -22.919
  609    HD3  LYS  76           HD3      LYS  76   6.602   8.392 -22.150
  610    HE2  LYS  76           HE2      LYS  76   4.560   8.694 -24.405
  611    HE3  LYS  76           HE3      LYS  76   6.255   8.265 -24.640
  612    HZ1  LYS  76           HZ1      LYS  76   5.876   6.260 -23.331
  613    HZ2  LYS  76           HZ2      LYS  76   4.295   6.636 -23.130
  614    HZ3  LYS  76           HZ3      LYS  76   4.877   6.306 -24.614
  615    H    ASP  77           H        ASP  77   3.753  12.456 -18.606
  616    HA   ASP  77           HA       ASP  77   4.504  12.019 -15.845
  617    HB2  ASP  77           HB2      ASP  77   6.677  12.327 -17.342
  618    HB3  ASP  77           HB3      ASP  77   6.164  14.006 -17.427
  619    H    MET  78           H        MET  78   4.134  14.217 -14.762
  620    HA   MET  78           HA       MET  78   1.923  15.680 -16.164
  621    HB2  MET  78           HB2      MET  78   2.957  15.764 -13.303
  622    HB3  MET  78           HB3      MET  78   1.728  16.866 -13.943
  623    HG2  MET  78           HG2      MET  78   1.490  13.834 -13.833
  624    HG3  MET  78           HG3      MET  78   0.785  14.952 -12.688
  625    HE1  MET  78           HE1      MET  78  -1.022  13.446 -16.553
  626    HE2  MET  78           HE2      MET  78   0.726  13.735 -16.491
  627    HE3  MET  78           HE3      MET  78  -0.036  12.626 -15.328
  628    H    TYR  79           H        TYR  79   2.252  17.856 -16.851
  629    HA   TYR  79           HA       TYR  79   4.970  18.990 -16.452
  630    HB2  TYR  79           HB2      TYR  79   3.450  18.670 -19.065
  631    HB3  TYR  79           HB3      TYR  79   4.840  19.720 -18.867
  632    HD1  TYR  79           HD2      TYR  79   3.688  16.231 -19.145
  633    HD2  TYR  79           HD1      TYR  79   7.112  18.829 -18.803
  634    HE1  TYR  79           HE2      TYR  79   5.134  14.406 -19.954
  635    HE2  TYR  79           HE1      TYR  79   8.574  17.013 -19.647
  636    HH   TYR  79           HH       TYR  79   7.306  13.750 -20.488
  637    H    VAL  80           H        VAL  80   5.067  21.224 -16.657
  638    HA   VAL  80           HA       VAL  80   2.517  22.743 -16.642
  639    HB   VAL  80           HB       VAL  80   3.506  23.990 -14.657
  640   HG11  VAL  80          HG11      VAL  80   2.510  21.159 -14.180
  641   HG12  VAL  80          HG12      VAL  80   2.506  22.495 -13.004
  642   HG13  VAL  80          HG13      VAL  80   1.520  22.611 -14.457
  643   HG21  VAL  80          HG21      VAL  80   4.957  22.786 -13.101
  644   HG22  VAL  80          HG22      VAL  80   5.074  21.403 -14.209
  645   HG23  VAL  80          HG23      VAL  80   5.782  22.971 -14.654
  646    H    GLU  81           H        GLU  81   2.719  24.839 -17.281
  647    HA   GLU  81           HA       GLU  81   5.158  25.568 -18.796
  648    HB2  GLU  81           HB2      GLU  81   2.460  26.955 -18.440
  649    HB3  GLU  81           HB3      GLU  81   3.814  27.593 -19.384
  650    HG2  GLU  81           HG2      GLU  81   3.749  25.508 -20.797
  651    HG3  GLU  81           HG3      GLU  81   2.291  25.012 -19.933
  652    H    VAL  82           H        VAL  82   6.548  27.184 -18.047
  653    HA   VAL  82           HA       VAL  82   5.893  28.544 -15.497
  654    HB   VAL  82           HB       VAL  82   7.948  27.854 -14.449
  655   HG11  VAL  82          HG11      VAL  82   6.031  26.257 -14.208
  656   HG12  VAL  82          HG12      VAL  82   6.728  25.279 -15.509
  657   HG13  VAL  82          HG13      VAL  82   7.620  25.517 -13.997
  658   HG21  VAL  82          HG21      VAL  82   9.477  27.640 -16.352
  659   HG22  VAL  82          HG22      VAL  82   9.491  26.159 -15.398
  660   HG23  VAL  82          HG23      VAL  82   8.597  26.205 -16.930
  661    H    ALA  83           H        ALA  83   7.159  30.436 -15.066
  662    HA   ALA  83           HA       ALA  83   8.783  31.453 -17.367
  663    HB1  ALA  83           HB1      ALA  83   7.912  33.698 -16.867
  664    HB2  ALA  83           HB2      ALA  83   6.593  32.610 -17.331
  665    HB3  ALA  83           HB3      ALA  83   6.841  33.029 -15.618
  666    H    ASP  84           H        ASP  84  10.676  32.449 -16.732
  667    HA   ASP  84           HA       ASP  84  11.756  31.619 -14.186
  668    HB2  ASP  84           HB2      ASP  84  13.079  31.768 -16.278
  669    HB3  ASP  84           HB3      ASP  84  12.787  33.516 -16.335
  670    H    ILE  85           H        ILE  85  12.098  32.730 -12.299
  671    HA   ILE  85           HA       ILE  85  11.533  35.655 -12.226
  672    HB   ILE  85           HB       ILE  85  11.333  33.891  -9.794
  673   HG12  ILE  85          HG12      ILE  85   8.890  34.686 -11.432
  674   HG13  ILE  85          HG13      ILE  85   9.611  33.083 -11.471
  675   HG21  ILE  85          HG21      ILE  85   9.989  36.556 -10.462
  676   HG22  ILE  85          HG22      ILE  85  10.141  35.801  -8.863
  677   HG23  ILE  85          HG23      ILE  85  11.564  36.454  -9.655
  678   HD11  ILE  85          HD11      ILE  85   8.450  34.428  -8.996
  679   HD12  ILE  85          HD12      ILE  85   7.798  33.045  -9.856
  680   HD13  ILE  85          HD13      ILE  85   9.337  32.883  -8.998
  681    H    GLY  86           H        GLY  86  13.960  35.074 -13.155
  682    HA2  GLY  86           HA2      GLY  86  15.716  35.947 -10.901
  683    HA3  GLY  86           HA3      GLY  86  16.228  34.673 -12.023
  684    H    GLY  87           H        GLY  87  15.307  35.615 -14.464
  685    HA2  GLY  87           HA2      GLY  87  15.527  38.391 -14.936
  686    HA3  GLY  87           HA3      GLY  87  17.107  37.639 -15.256
  687    H    LYS  88           H        LYS  88  14.582  35.423 -16.013
  688    HA   LYS  88           HA       LYS  88  14.617  36.289 -18.878
  689    HB2  LYS  88           HB2      LYS  88  14.639  33.431 -17.838
  690    HB3  LYS  88           HB3      LYS  88  14.694  33.968 -19.519
  691    HG2  LYS  88           HG2      LYS  88  16.889  35.152 -18.980
  692    HG3  LYS  88           HG3      LYS  88  16.826  34.401 -17.382
  693    HD2  LYS  88           HD2      LYS  88  18.266  33.048 -18.659
  694    HD3  LYS  88           HD3      LYS  88  16.750  32.139 -18.531
  695    HE2  LYS  88           HE2      LYS  88  16.105  32.948 -20.807
  696    HE3  LYS  88           HE3      LYS  88  17.615  33.860 -20.908
  697    HZ1  LYS  88           HZ1      LYS  88  17.791  31.743 -22.048
  698    HZ2  LYS  88           HZ2      LYS  88  18.821  31.759 -20.788
  699    HZ3  LYS  88           HZ3      LYS  88  17.427  30.910 -20.694
  700    H    ASP  89           H        ASP  89  12.687  36.950 -16.745
  701    HA   ASP  89           HA       ASP  89  10.255  35.559 -16.878
  702    HB2  ASP  89           HB2      ASP  89  10.723  37.340 -15.265
  703    HB3  ASP  89           HB3      ASP  89  10.866  38.521 -16.563
  704    H    ASP  90           H        ASP  90  11.752  37.630 -19.267
  705    HA   ASP  90           HA       ASP  90   9.513  38.356 -20.846
  706    HB2  ASP  90           HB2      ASP  90  11.759  39.389 -20.955
  707    HB3  ASP  90           HB3      ASP  90  12.421  37.891 -21.611
  708    H    ASP  91           H        ASP  91  10.784  35.186 -20.330
  709    HA   ASP  91           HA       ASP  91   9.432  34.166 -22.761
  710    HB2  ASP  91           HB2      ASP  91  11.923  34.386 -23.136
  711    HB3  ASP  91           HB3      ASP  91  12.166  33.242 -21.813
  712    H    VAL  92           H        VAL  92   9.190  31.730 -22.564
  713    HA   VAL  92           HA       VAL  92   8.473  30.927 -19.790
  714    HB   VAL  92           HB       VAL  92   6.677  30.844 -22.236
  715   HG11  VAL  92          HG11      VAL  92   6.030  29.973 -19.403
  716   HG12  VAL  92          HG12      VAL  92   4.878  30.083 -20.746
  717   HG13  VAL  92          HG13      VAL  92   6.187  28.914 -20.819
  718   HG21  VAL  92          HG21      VAL  92   6.470  32.550 -19.720
  719   HG22  VAL  92          HG22      VAL  92   6.746  33.134 -21.375
  720   HG23  VAL  92          HG23      VAL  92   5.198  32.410 -20.951
  721    H    TYR  93           H        TYR  93   8.390  28.721 -19.525
  722    HA   TYR  93           HA       TYR  93   9.644  26.961 -21.571
  723    HB2  TYR  93           HB2      TYR  93  10.380  27.161 -18.620
  724    HB3  TYR  93           HB3      TYR  93  11.165  26.163 -19.834
  725    HD1  TYR  93           HD2      TYR  93  12.507  27.256 -21.685
  726    HD2  TYR  93           HD1      TYR  93  10.977  29.489 -18.322
  727    HE1  TYR  93           HE2      TYR  93  14.033  29.121 -22.238
  728    HE2  TYR  93           HE1      TYR  93  12.505  31.369 -18.873
  729    HH   TYR  93           HH       TYR  93  14.692  31.269 -21.721
  730    H    THR  94           H        THR  94   9.649  24.643 -20.428
  731    HA   THR  94           HA       THR  94   7.093  24.181 -18.985
  732    HB   THR  94           HB       THR  94   7.999  22.263 -21.142
  733    HG1  THR  94           HG1      THR  94   7.586  24.223 -22.182
  734   HG21  THR  94          HG21      THR  94   5.275  22.823 -19.891
  735   HG22  THR  94          HG22      THR  94   5.657  21.547 -21.071
  736   HG23  THR  94          HG23      THR  94   6.355  21.483 -19.445
  737    H    ALA  95           H        ALA  95   7.303  22.796 -17.338
  738    HA   ALA  95           HA       ALA  95   9.897  21.370 -16.923
  739    HB1  ALA  95           HB1      ALA  95   9.668  21.969 -14.523
  740    HB2  ALA  95           HB2      ALA  95   9.772  23.431 -15.527
  741    HB3  ALA  95           HB3      ALA  95   8.205  22.902 -14.884
  742    H    LYS  96           H        LYS  96   9.613  19.460 -15.517
  743    HA   LYS  96           HA       LYS  96   6.986  18.138 -15.891
  744    HB2  LYS  96           HB2      LYS  96   9.395  17.127 -14.305
  745    HB3  LYS  96           HB3      LYS  96   7.917  16.275 -14.684
  746    HG2  LYS  96           HG2      LYS  96   9.376  15.318 -16.155
  747    HG3  LYS  96           HG3      LYS  96   8.508  16.470 -17.145
  748    HD2  LYS  96           HD2      LYS  96  10.895  16.405 -17.705
  749    HD3  LYS  96           HD3      LYS  96  10.479  18.000 -17.075
  750    HE2  LYS  96           HE2      LYS  96  11.334  17.307 -14.826
  751    HE3  LYS  96           HE3      LYS  96  11.740  15.717 -15.464
  752    HZ1  LYS  96           HZ1      LYS  96  12.932  18.198 -16.549
  753    HZ2  LYS  96           HZ2      LYS  96  13.552  17.404 -15.261
  754    HZ3  LYS  96           HZ3      LYS  96  13.467  16.658 -16.735
  755    H    LEU  97           H        LEU  97   5.559  17.940 -14.124
  756    HA   LEU  97           HA       LEU  97   5.850  19.702 -11.871
  757    HB2  LEU  97           HB2      LEU  97   3.666  18.678 -12.788
  758    HB3  LEU  97           HB3      LEU  97   4.143  17.193 -11.956
  759    HG   LEU  97           HG       LEU  97   4.182  18.473  -9.778
  760   HD11  LEU  97          HD11      LEU  97   4.556  20.766 -10.511
  761   HD12  LEU  97          HD12      LEU  97   3.118  20.718 -11.556
  762   HD13  LEU  97          HD13      LEU  97   2.949  20.710  -9.799
  763   HD21  LEU  97          HD21      LEU  97   1.565  18.639 -11.322
  764   HD22  LEU  97          HD22      LEU  97   2.195  17.189 -10.502
  765   HD23  LEU  97          HD23      LEU  97   1.745  18.614  -9.554
  766    H    SER  98           H        SER  98   6.826  16.401 -12.609
  767    HA   SER  98           HA       SER  98   7.721  15.454 -10.129
  768    HB2  SER  98           HB2      SER  98   8.777  15.054 -12.963
  769    HB3  SER  98           HB3      SER  98   9.189  14.035 -11.583
  770    HG   SER  98           HG       SER  98   6.984  13.953 -13.147
  771    H    ASP  99           H        ASP  99   9.010  18.176 -11.879
  772    HA   ASP  99           HA       ASP  99  11.540  18.096 -10.289
  773    HB2  ASP  99           HB2      ASP  99  11.037  18.745 -13.193
  774    HB3  ASP  99           HB3      ASP  99  12.223  19.697 -12.339
  775    H    ILE 100           H        ILE 100   8.609  19.362 -10.031
  776    HA   ILE 100           HA       ILE 100   9.564  22.128  -9.452
  777    HB   ILE 100           HB       ILE 100   7.061  21.089 -10.714
  778   HG12  ILE 100          HG12      ILE 100   9.105  22.212 -11.818
  779   HG13  ILE 100          HG13      ILE 100   7.477  22.683 -12.330
  780   HG21  ILE 100          HG21      ILE 100   6.021  22.198  -8.840
  781   HG22  ILE 100          HG22      ILE 100   7.013  23.653  -9.071
  782   HG23  ILE 100          HG23      ILE 100   5.813  23.176 -10.292
  783   HD11  ILE 100          HD11      ILE 100   7.639  24.770 -11.165
  784   HD12  ILE 100          HD12      ILE 100   9.157  24.284 -10.382
  785   HD13  ILE 100          HD13      ILE 100   9.099  24.547 -12.140
  786    H    GLU 101           H        GLU 101   8.984  23.008  -7.607
  787    HA   GLU 101           HA       GLU 101   7.376  21.478  -5.637
  788    HB2  GLU 101           HB2      GLU 101   9.814  21.012  -5.282
  789    HB3  GLU 101           HB3      GLU 101  10.091  22.741  -5.029
  790    HG2  GLU 101           HG2      GLU 101   8.521  22.690  -3.097
  791    HG3  GLU 101           HG3      GLU 101   8.235  20.968  -3.374
  792    H    ALA 102           H        ALA 102   5.733  22.862  -5.064
  793    HA   ALA 102           HA       ALA 102   5.801  25.618  -5.924
  794    HB1  ALA 102           HB1      ALA 102   3.687  24.391  -5.875
  795    HB2  ALA 102           HB2      ALA 102   3.837  24.154  -4.115
  796    HB3  ALA 102           HB3      ALA 102   3.618  25.779  -4.806
  797    H    ILE 103           H        ILE 103   5.650  27.461  -4.657
  798    HA   ILE 103           HA       ILE 103   6.711  27.319  -1.868
  799    HB   ILE 103           HB       ILE 103   7.173  29.367  -4.067
  800   HG12  ILE 103          HG12      ILE 103   9.256  27.648  -2.641
  801   HG13  ILE 103          HG13      ILE 103   8.538  27.180  -4.172
  802   HG21  ILE 103          HG21      ILE 103   6.976  30.463  -1.845
  803   HG22  ILE 103          HG22      ILE 103   8.212  29.365  -1.198
  804   HG23  ILE 103          HG23      ILE 103   8.621  30.554  -2.454
  805   HD11  ILE 103          HD11      ILE 103  10.226  29.664  -3.708
  806   HD12  ILE 103          HD12      ILE 103  10.641  28.220  -4.634
  807   HD13  ILE 103          HD13      ILE 103   9.360  29.287  -5.219
  808    H    ASP 104           H        ASP 104   5.456  28.215  -0.396
  809    HA   ASP 104           HA       ASP 104   3.675  29.084   0.642
  810    HB2  ASP 104           HB2      ASP 104   5.242  30.946   0.275
  811    HB3  ASP 104           HB3      ASP 104   4.352  31.411  -1.175
  812    H    VAL 105           H        VAL 105   2.719  27.383  -1.368
  813    HA   VAL 105           HA       VAL 105   0.490  28.829  -2.660
  814    HB   VAL 105           HB       VAL 105   2.112  27.256  -3.856
  815   HG11  VAL 105          HG11      VAL 105   0.364  25.098  -2.668
  816   HG12  VAL 105          HG12      VAL 105   1.507  24.891  -3.984
  817   HG13  VAL 105          HG13      VAL 105   2.091  25.324  -2.363
  818   HG21  VAL 105          HG21      VAL 105   0.070  28.257  -4.795
  819   HG22  VAL 105          HG22      VAL 105   0.569  26.719  -5.493
  820   HG23  VAL 105          HG23      VAL 105  -0.812  26.778  -4.371
  821    H    ASP 106           H        ASP 106  -1.636  27.368  -2.782
  822    HA   ASP 106           HA       ASP 106  -2.672  27.236  -0.098
  823    HB2  ASP 106           HB2      ASP 106  -4.006  27.760  -2.208
  824    HB3  ASP 106           HB3      ASP 106  -3.888  26.020  -2.574
  825    H    ASP 107           H        ASP 107  -3.818  25.301   0.629
  826    HA   ASP 107           HA       ASP 107  -1.903  23.182   1.139
  827    HB2  ASP 107           HB2      ASP 107  -3.491  23.896   2.856
  828    HB3  ASP 107           HB3      ASP 107  -4.855  23.476   1.816
  829    H    ASP 108           H        ASP 108  -4.849  23.529  -0.936
  830    HA   ASP 108           HA       ASP 108  -4.914  20.706  -1.513
  831    HB2  ASP 108           HB2      ASP 108  -6.808  22.499  -1.575
  832    HB3  ASP 108           HB3      ASP 108  -6.216  22.857  -3.201
  833    H    THR 109           H        THR 109  -3.404  23.533  -3.050
  834    HA   THR 109           HA       THR 109  -2.609  22.206  -5.523
  835    HB   THR 109           HB       THR 109  -1.418  24.664  -4.100
  836    HG1  THR 109           HG1      THR 109  -3.661  24.877  -4.651
  837   HG21  THR 109          HG21      THR 109  -1.219  23.708  -6.977
  838   HG22  THR 109          HG22      THR 109  -0.799  25.314  -6.443
  839   HG23  THR 109          HG23      THR 109   0.119  23.933  -5.821
  840    H    GLN 110           H        GLN 110  -1.055  22.877  -2.309
  841    HA   GLN 110           HA       GLN 110   1.371  21.616  -3.027
  842    HB2  GLN 110           HB2      GLN 110   1.072  23.294  -1.222
  843    HB3  GLN 110           HB3      GLN 110   0.183  22.106  -0.268
  844    HG2  GLN 110           HG2      GLN 110   2.521  22.367   0.440
  845    HG3  GLN 110           HG3      GLN 110   2.166  20.714  -0.074
  846   HE21  GLN 110          HE22      GLN 110   3.117  19.923  -2.071
  847   HE22  GLN 110          HE21      GLN 110   4.533  20.719  -2.739
  848    H    GLU 111           H        GLU 111  -1.594  20.281  -1.483
  849    HA   GLU 111           HA       GLU 111  -0.529  17.709  -0.898
  850    HB2  GLU 111           HB2      GLU 111  -3.302  18.827  -1.399
  851    HB3  GLU 111           HB3      GLU 111  -3.086  17.093  -1.208
  852    HG2  GLU 111           HG2      GLU 111  -1.922  18.958   0.874
  853    HG3  GLU 111           HG3      GLU 111  -3.647  18.574   0.872
  854    H    ALA 112           H        ALA 112  -2.089  18.979  -3.893
  855    HA   ALA 112           HA       ALA 112  -2.139  16.454  -5.237
  856    HB1  ALA 112           HB1      ALA 112  -2.379  17.863  -7.277
  857    HB2  ALA 112           HB2      ALA 112  -3.473  18.357  -5.968
  858    HB3  ALA 112           HB3      ALA 112  -2.009  19.306  -6.309
  859    H    ILE 113           H        ILE 113   0.289  19.104  -5.161
  860    HA   ILE 113           HA       ILE 113   2.166  17.905  -6.948
  861    HB   ILE 113           HB       ILE 113   2.451  19.867  -4.652
  862   HG12  ILE 113          HG12      ILE 113   2.638  20.438  -7.628
  863   HG13  ILE 113          HG13      ILE 113   1.084  20.420  -6.804
  864   HG21  ILE 113          HG21      ILE 113   4.553  19.086  -6.721
  865   HG22  ILE 113          HG22      ILE 113   4.684  20.477  -5.626
  866   HG23  ILE 113          HG23      ILE 113   4.647  18.851  -4.961
  867   HD11  ILE 113          HD11      ILE 113   3.407  22.226  -6.124
  868   HD12  ILE 113          HD12      ILE 113   1.866  22.685  -6.881
  869   HD13  ILE 113          HD13      ILE 113   1.891  22.120  -5.195
  870    H    ALA 114           H        ALA 114   1.944  17.832  -3.354
  871    HA   ALA 114           HA       ALA 114   4.208  16.264  -2.880
  872    HB1  ALA 114           HB1      ALA 114   3.155  15.777  -0.698
  873    HB2  ALA 114           HB2      ALA 114   3.012  17.491  -1.110
  874    HB3  ALA 114           HB3      ALA 114   1.607  16.411  -1.284
  875    H    ASP 115           H        ASP 115   0.766  15.199  -3.313
  876    HA   ASP 115           HA       ASP 115   1.376  12.424  -3.031
  877    HB2  ASP 115           HB2      ASP 115  -0.872  13.437  -2.752
  878    HB3  ASP 115           HB3      ASP 115  -0.945  13.706  -4.500
  879    H    TRP 116           H        TRP 116   1.572  14.577  -5.847
  880    HA   TRP 116           HA       TRP 116   1.824  12.426  -7.787
  881    HB2  TRP 116           HB2      TRP 116   1.145  14.599  -8.579
  882    HB3  TRP 116           HB3      TRP 116   2.578  15.367  -7.897
  883    HD1  TRP 116           HD1      TRP 116   4.708  15.432  -9.339
  884    HE1  TRP 116           HE1      TRP 116   5.539  14.317 -11.489
  885    HE3  TRP 116           HE3      TRP 116   0.749  12.328 -10.251
  886    HZ2  TRP 116           HZ2      TRP 116   4.563  12.425 -13.423
  887    HZ3  TRP 116           HZ3      TRP 116   0.716  10.882 -12.257
  888    HH2  TRP 116           HH2      TRP 116   2.625  10.914 -13.856
  889    H    LEU 117           H        LEU 117   4.128  14.455  -5.880
  890    HA   LEU 117           HA       LEU 117   6.488  13.241  -6.990
  891    HB2  LEU 117           HB2      LEU 117   5.981  14.690  -4.360
  892    HB3  LEU 117           HB3      LEU 117   7.576  14.161  -4.882
  893    HG   LEU 117           HG       LEU 117   5.844  16.078  -6.509
  894   HD11  LEU 117          HD11      LEU 117   6.400  17.074  -4.330
  895   HD12  LEU 117          HD12      LEU 117   8.121  16.712  -4.588
  896   HD13  LEU 117          HD13      LEU 117   7.279  17.872  -5.642
  897   HD21  LEU 117          HD21      LEU 117   7.959  16.628  -7.650
  898   HD22  LEU 117          HD22      LEU 117   8.806  15.386  -6.703
  899   HD23  LEU 117          HD23      LEU 117   7.544  14.927  -7.865
  900    H    TYR 118           H        TYR 118   4.423  12.421  -4.165
  901    HA   TYR 118           HA       TYR 118   5.998  10.174  -3.337
  902    HB2  TYR 118           HB2      TYR 118   3.005  10.619  -3.126
  903    HB3  TYR 118           HB3      TYR 118   3.917   9.445  -2.200
  904    HD1  TYR 118           HD2      TYR 118   6.282  11.669  -1.688
  905    HD2  TYR 118           HD1      TYR 118   1.999  11.508  -1.148
  906    HE1  TYR 118           HE2      TYR 118   6.443  13.392   0.056
  907    HE2  TYR 118           HE1      TYR 118   2.145  13.330   0.513
  908    HH   TYR 118           HH       TYR 118   5.282  14.729   1.578
  909    H    TRP 119           H        TRP 119   3.504  10.539  -5.911
  910    HA   TRP 119           HA       TRP 119   3.232   7.688  -6.429
  911    HB2  TRP 119           HB2      TRP 119   1.425   8.944  -7.104
  912    HB3  TRP 119           HB3      TRP 119   2.393  10.260  -7.713
  913    HD1  TRP 119           HD1      TRP 119   3.702   9.855 -10.069
  914    HE1  TRP 119           HE1      TRP 119   2.917   8.663 -12.168
  915    HE3  TRP 119           HE3      TRP 119  -0.126   7.068  -8.071
  916    HZ2  TRP 119           HZ2      TRP 119   0.798   6.934 -12.943
  917    HZ3  TRP 119           HZ3      TRP 119  -1.669   5.856  -9.581
  918    HH2  TRP 119           HH2      TRP 119  -1.224   5.765 -12.032
  919    H    LEU 120           H        LEU 120   5.229  10.324  -7.831
  920    HA   LEU 120           HA       LEU 120   6.655   8.808  -9.723
  921    HB2  LEU 120           HB2      LEU 120   6.709  11.246  -9.585
  922    HB3  LEU 120           HB3      LEU 120   7.417  11.176  -7.982
  923    HG   LEU 120           HG       LEU 120   9.489  10.120  -8.977
  924   HD11  LEU 120          HD11      LEU 120   9.844  10.453 -11.417
  925   HD12  LEU 120          HD12      LEU 120   8.574   9.271 -11.097
  926   HD13  LEU 120          HD13      LEU 120   8.143  10.929 -11.598
  927   HD21  LEU 120          HD21      LEU 120  10.257  12.326  -9.917
  928   HD22  LEU 120          HD22      LEU 120   8.563  12.878  -9.845
  929   HD23  LEU 120          HD23      LEU 120   9.426  12.453  -8.359
  930    H    ALA 121           H        ALA 121   7.446   9.437  -6.252
  931    HA   ALA 121           HA       ALA 121   9.739   7.745  -6.217
  932    HB1  ALA 121           HB1      ALA 121   9.422   9.512  -4.588
  933    HB2  ALA 121           HB2      ALA 121   7.922   8.769  -4.002
  934    HB3  ALA 121           HB3      ALA 121   9.484   7.957  -3.735
  935    H    ARG 122           H        ARG 122   6.283   6.987  -5.818
  936    HA   ARG 122           HA       ARG 122   6.751   4.320  -4.712
  937    HB2  ARG 122           HB2      ARG 122   4.342   5.791  -5.821
  938    HB3  ARG 122           HB3      ARG 122   4.259   4.051  -5.551
  939    HG2  ARG 122           HG2      ARG 122   4.723   4.258  -3.216
  940    HG3  ARG 122           HG3      ARG 122   5.108   5.966  -3.381
  941    HD2  ARG 122           HD2      ARG 122   2.342   4.811  -3.901
  942    HD3  ARG 122           HD3      ARG 122   2.883   5.485  -2.348
  943    HE   ARG 122           HE       ARG 122   3.470   7.402  -4.278
  944   HH11  ARG 122          HH11      ARG 122   0.481   5.921  -2.964
  945   HH12  ARG 122          HH12      ARG 122  -0.375   7.419  -2.963
  946   HH21  ARG 122          HH21      ARG 122   2.043   9.308  -4.630
  947   HH22  ARG 122          HH22      ARG 122   0.552   9.370  -3.812
  948    H    GLY 123           H        GLY 123   6.977   5.661  -7.909
  949    HA2  GLY 123           HA2      GLY 123   7.753   4.534  -9.784
  950    HA3  GLY 123           HA3      GLY 123   7.524   2.973  -8.979
  951    H    TYR 124           H        TYR 124   5.086   5.567  -9.257
  952    HA   TYR 124           HA       TYR 124   3.113   5.816 -10.251
  953    HB2  TYR 124           HB2      TYR 124   4.875   4.506 -12.290
  954    HB3  TYR 124           HB3      TYR 124   3.208   4.778 -12.700
  955    HD1  TYR 124           HD1      TYR 124   5.746   6.998 -10.948
  956    HD2  TYR 124           HD2      TYR 124   3.079   6.387 -14.293
  957    HE1  TYR 124           HE1      TYR 124   6.393   9.192 -11.881
  958    HE2  TYR 124           HE2      TYR 124   3.759   8.548 -15.235
  959    HH   TYR 124           HH       TYR 124   5.339  10.197 -15.170
  960    H    LYS 125           H        LYS 125   1.305   4.743 -11.606
  961    HA   LYS 125           HA       LYS 125   0.943   1.839 -11.043
  962    HB2  LYS 125           HB2      LYS 125  -1.377   3.781 -10.900
  963    HB3  LYS 125           HB3      LYS 125  -1.404   2.075 -10.556
  964    HG2  LYS 125           HG2      LYS 125   0.223   4.025  -8.889
  965    HG3  LYS 125           HG3      LYS 125  -1.487   3.698  -8.600
  966    HD2  LYS 125           HD2      LYS 125  -0.966   1.272  -8.304
  967    HD3  LYS 125           HD3      LYS 125   0.768   1.659  -8.424
  968    HE2  LYS 125           HE2      LYS 125   0.580   3.186  -6.489
  969    HE3  LYS 125           HE3      LYS 125  -1.168   2.941  -6.437
  970    HZ1  LYS 125           HZ1      LYS 125   0.873   0.895  -5.825
  971    HZ2  LYS 125           HZ2      LYS 125  -0.172   1.621  -4.775
  972    HZ3  LYS 125           HZ3      LYS 125  -0.737   0.594  -5.911
  973    H    PHE 126           H        PHE 126   1.524   3.997 -13.339
  974    HA   PHE 126           HA       PHE 126   0.282   2.269 -15.349
  975    HB2  PHE 126           HB2      PHE 126  -0.375   3.950 -16.818
  976    HB3  PHE 126           HB3      PHE 126  -1.126   4.309 -15.278
  977    HD1  PHE 126           HD1      PHE 126   1.753   5.287 -17.502
  978    HD2  PHE 126           HD2      PHE 126  -1.043   6.530 -14.467
  979    HE1  PHE 126           HE1      PHE 126   2.507   7.626 -17.755
  980    HE2  PHE 126           HE2      PHE 126  -0.265   8.867 -14.707
  981    HZ   PHE 126           HZ       PHE 126   1.506   9.429 -16.362
  Start of MODEL   14
    1    H1   MET   1           H1       MET   1   8.598  -1.622  -2.323
    2    H2   MET   1           H2       MET   1   9.993  -0.786  -2.487
    3    H3   MET   1           H3       MET   1   9.996  -2.256  -1.760
    4    HA   MET   1           HA       MET   1   8.668  -1.462   0.040
    5    HB2  MET   1           HB2      MET   1  11.167  -1.360   0.192
    6    HB3  MET   1           HB3      MET   1  11.107   0.323  -0.315
    7    HG2  MET   1           HG2      MET   1  11.273   0.189   2.101
    8    HG3  MET   1           HG3      MET   1   9.716   0.868   1.660
    9    HE1  MET   1           HE1      MET   1  10.454  -3.300   3.570
   10    HE2  MET   1           HE2      MET   1  11.051  -2.944   1.937
   11    HE3  MET   1           HE3      MET   1  11.678  -2.035   3.333
   12    H    ALA   2           H        ALA   2   9.881   1.659  -1.190
   13    HA   ALA   2           HA       ALA   2   8.904   3.677  -1.337
   14    HB1  ALA   2           HB1      ALA   2   7.322   3.843  -3.166
   15    HB2  ALA   2           HB2      ALA   2   8.585   2.661  -3.556
   16    HB3  ALA   2           HB3      ALA   2   6.964   2.105  -3.065
   17    H    SER   3           H        SER   3   8.293   3.142   1.107
   18    HA   SER   3           HA       SER   3   5.500   2.952   1.730
   19    HB2  SER   3           HB2      SER   3   7.809   3.793   3.524
   20    HB3  SER   3           HB3      SER   3   6.258   3.089   4.020
   21    HG   SER   3           HG       SER   3   7.918   1.532   3.992
   22    H    VAL   4           H        VAL   4   6.257   5.228   0.014
   23    HA   VAL   4           HA       VAL   4   6.355   7.683   1.466
   24    HB   VAL   4           HB       VAL   4   5.782   8.604  -0.881
   25   HG11  VAL   4          HG11      VAL   4   8.034   8.150  -1.731
   26   HG12  VAL   4          HG12      VAL   4   8.069   8.502   0.001
   27   HG13  VAL   4          HG13      VAL   4   8.230   6.822  -0.569
   28   HG21  VAL   4          HG21      VAL   4   5.972   7.208  -2.779
   29   HG22  VAL   4          HG22      VAL   4   6.306   5.778  -1.812
   30   HG23  VAL   4          HG23      VAL   4   4.691   6.538  -1.757
   31    H    GLU   5           H        GLU   5   3.600   5.631   0.790
   32    HA   GLU   5           HA       GLU   5   1.644   7.717   0.560
   33    HB2  GLU   5           HB2      GLU   5   0.014   6.046   0.834
   34    HB3  GLU   5           HB3      GLU   5   1.291   5.332  -0.128
   35    HG2  GLU   5           HG2      GLU   5   0.727   4.848   2.833
   36    HG3  GLU   5           HG3      GLU   5   0.356   3.761   1.510
   37    H    ARG   6           H        ARG   6   0.233   8.602   2.175
   38    HA   ARG   6           HA       ARG   6   1.327   8.921   4.826
   39    HB2  ARG   6           HB2      ARG   6   0.049  10.673   3.830
   40    HB3  ARG   6           HB3      ARG   6  -1.328   9.632   3.501
   41    HG2  ARG   6           HG2      ARG   6  -0.469  10.002   6.375
   42    HG3  ARG   6           HG3      ARG   6  -1.272  11.344   5.551
   43    HD2  ARG   6           HD2      ARG   6  -3.206  10.002   5.015
   44    HD3  ARG   6           HD3      ARG   6  -2.438   8.541   5.644
   45    HE   ARG   6           HE       ARG   6  -2.446  10.441   7.724
   46   HH11  ARG   6          HH12      ARG   6  -4.851   8.609   5.864
   47   HH12  ARG   6          HH11      ARG   6  -5.968   8.474   7.172
   48   HH21  ARG   6          HH21      ARG   6  -3.948  10.292   9.455
   49   HH22  ARG   6          HH22      ARG   6  -5.450   9.478   9.249
   50    H    ASP   7           H        ASP   7  -1.230   6.893   3.370
   51    HA   ASP   7           HA       ASP   7  -0.902   4.744   5.215
   52    HB2  ASP   7           HB2      ASP   7  -2.346   6.227   6.641
   53    HB3  ASP   7           HB3      ASP   7  -3.499   6.363   5.312
   54    H    GLU   8           H        GLU   8  -2.482   2.930   4.364
   55    HA   GLU   8           HA       GLU   8  -2.695   2.950   1.523
   56    HB2  GLU   8           HB2      GLU   8  -3.979   0.910   1.772
   57    HB3  GLU   8           HB3      GLU   8  -2.559   0.890   2.818
   58    HG2  GLU   8           HG2      GLU   8  -3.986   1.464   4.773
   59    HG3  GLU   8           HG3      GLU   8  -5.410   1.497   3.729
   60    H    THR   9           H        THR   9  -4.924   4.172   4.019
   61    HA   THR   9           HA       THR   9  -7.203   4.590   2.463
   62    HB   THR   9           HB       THR   9  -5.959   6.474   4.484
   63    HG1  THR   9           HG1      THR   9  -6.104   4.552   5.433
   64   HG21  THR   9          HG21      THR   9  -7.859   7.544   3.383
   65   HG22  THR   9          HG22      THR   9  -8.867   6.102   3.640
   66   HG23  THR   9          HG23      THR   9  -8.316   7.079   5.025
   67    H    ARG  10           H        ARG  10  -4.054   6.337   2.220
   68    HA   ARG  10           HA       ARG  10  -5.147   8.471   0.603
   69    HB2  ARG  10           HB2      ARG  10  -2.954   8.662   1.820
   70    HB3  ARG  10           HB3      ARG  10  -2.285   7.397   0.784
   71    HG2  ARG  10           HG2      ARG  10  -1.519   9.509  -0.062
   72    HG3  ARG  10           HG3      ARG  10  -2.665   8.839  -1.211
   73    HD2  ARG  10           HD2      ARG  10  -4.344  10.379   0.340
   74    HD3  ARG  10           HD3      ARG  10  -2.838  11.288   0.489
   75    HE   ARG  10           HE       ARG  10  -2.793  11.058  -2.098
   76   HH11  ARG  10          HH11      ARG  10  -5.687  11.749  -0.135
   77   HH12  ARG  10          HH12      ARG  10  -6.581  12.434  -1.440
   78   HH21  ARG  10          HH21      ARG  10  -3.933  12.023  -3.789
   79   HH22  ARG  10          HH22      ARG  10  -5.568  12.594  -3.574
   80    H    GLU  11           H        GLU  11  -3.539   5.337  -0.119
   81    HA   GLU  11           HA       GLU  11  -3.688   5.549  -2.929
   82    HB2  GLU  11           HB2      GLU  11  -3.846   2.995  -1.272
   83    HB3  GLU  11           HB3      GLU  11  -3.419   3.148  -2.978
   84    HG2  GLU  11           HG2      GLU  11  -1.494   4.676  -2.220
   85    HG3  GLU  11           HG3      GLU  11  -1.849   4.156  -0.567
   86    H    HIS  12           H        HIS  12  -6.102   4.335  -0.559
   87    HA   HIS  12           HA       HIS  12  -8.007   3.559  -2.537
   88    HB2  HIS  12           HB2      HIS  12  -8.037   2.866  -0.140
   89    HB3  HIS  12           HB3      HIS  12  -8.542   4.500   0.300
   90    HD1  HIS  12           HD1      HIS  12  -9.986   2.227  -2.574
   91    HD2  HIS  12           HD2      HIS  12 -11.029   4.219   1.009
   92    HE1  HIS  12           HE1      HIS  12 -12.485   1.920  -2.273
   93    H    ARG  13           H        ARG  13  -7.421   6.739  -0.907
   94    HA   ARG  13           HA       ARG  13  -9.704   8.021  -2.134
   95    HB2  ARG  13           HB2      ARG  13  -7.160   9.073  -0.843
   96    HB3  ARG  13           HB3      ARG  13  -8.400  10.137  -1.524
   97    HG2  ARG  13           HG2      ARG  13 -10.105   9.270  -0.042
   98    HG3  ARG  13           HG3      ARG  13  -9.024   8.017   0.580
   99    HD2  ARG  13           HD2      ARG  13  -7.541   9.746   1.533
  100    HD3  ARG  13           HD3      ARG  13  -8.632  11.015   0.926
  101    HE   ARG  13           HE       ARG  13 -10.213   9.270   2.432
  102   HH11  ARG  13          HH11      ARG  13  -7.498  11.473   3.070
  103   HH12  ARG  13          HH12      ARG  13  -7.927  11.749   4.715
  104   HH21  ARG  13          HH21      ARG  13 -10.787   9.644   4.623
  105   HH22  ARG  13          HH22      ARG  13  -9.844  10.691   5.612
  106    H    ILE  14           H        ILE  14  -6.262   7.704  -3.164
  107    HA   ILE  14           HA       ILE  14  -6.456   9.218  -5.564
  108    HB   ILE  14           HB       ILE  14  -4.829   6.785  -4.748
  109   HG12  ILE  14          HG12      ILE  14  -3.918   9.651  -5.194
  110   HG13  ILE  14          HG13      ILE  14  -4.430   9.041  -3.633
  111   HG21  ILE  14          HG21      ILE  14  -4.478   8.356  -7.327
  112   HG22  ILE  14          HG22      ILE  14  -3.398   7.085  -6.712
  113   HG23  ILE  14          HG23      ILE  14  -5.034   6.667  -7.188
  114   HD11  ILE  14          HD11      ILE  14  -2.031   8.084  -5.239
  115   HD12  ILE  14          HD12      ILE  14  -2.043   8.949  -3.700
  116   HD13  ILE  14          HD13      ILE  14  -2.628   7.286  -3.761
  117    H    GLU  15           H        GLU  15  -7.016   5.737  -4.963
  118    HA   GLU  15           HA       GLU  15  -7.815   4.994  -7.503
  119    HB2  GLU  15           HB2      GLU  15  -7.185   3.381  -5.871
  120    HB3  GLU  15           HB3      GLU  15  -8.371   3.962  -4.713
  121    HG2  GLU  15           HG2      GLU  15 -10.209   3.056  -6.078
  122    HG3  GLU  15           HG3      GLU  15  -9.024   2.431  -7.239
  123    H    THR  16           H        THR  16  -9.802   6.509  -4.961
  124    HA   THR  16           HA       THR  16 -12.239   6.055  -6.583
  125    HB   THR  16           HB       THR  16 -13.423   6.622  -4.463
  126    HG1  THR  16           HG1      THR  16 -10.878   6.297  -3.266
  127   HG21  THR  16          HG21      THR  16 -11.456   4.300  -4.267
  128   HG22  THR  16          HG22      THR  16 -12.991   4.482  -3.388
  129   HG23  THR  16          HG23      THR  16 -12.998   4.285  -5.146
  130    H    GLU  17           H        GLU  17 -10.047   8.453  -6.612
  131    HA   GLU  17           HA       GLU  17 -12.145  10.453  -7.277
  132    HB2  GLU  17           HB2      GLU  17 -11.284  10.782  -4.906
  133    HB3  GLU  17           HB3      GLU  17  -9.691  11.097  -5.595
  134    HG2  GLU  17           HG2      GLU  17 -10.705  13.202  -5.144
  135    HG3  GLU  17           HG3      GLU  17 -10.668  13.016  -6.890
  136    H    ILE  18           H        ILE  18  -8.578   9.742  -7.427
  137    HA   ILE  18           HA       ILE  18  -8.286  11.749  -9.527
  138    HB   ILE  18           HB       ILE  18  -6.251   9.752  -8.449
  139   HG12  ILE  18          HG12      ILE  18  -6.978  12.585  -7.588
  140   HG13  ILE  18          HG13      ILE  18  -7.028  11.128  -6.608
  141   HG21  ILE  18          HG21      ILE  18  -4.579  11.236  -9.435
  142   HG22  ILE  18          HG22      ILE  18  -5.692  10.744 -10.693
  143   HG23  ILE  18          HG23      ILE  18  -5.848  12.358  -9.977
  144   HD11  ILE  18          HD11      ILE  18  -4.498  10.976  -6.877
  145   HD12  ILE  18          HD12      ILE  18  -4.560  12.610  -7.569
  146   HD13  ILE  18          HD13      ILE  18  -5.110  12.341  -5.914
  147    H    ILE  19           H        ILE  19  -8.059   8.156  -9.317
  148    HA   ILE  19           HA       ILE  19  -8.124   8.044 -12.301
  149    HB   ILE  19           HB       ILE  19  -6.816   6.037 -12.120
  150   HG12  ILE  19          HG12      ILE  19  -6.548   6.729  -9.155
  151   HG13  ILE  19          HG13      ILE  19  -7.504   5.385  -9.812
  152   HG21  ILE  19          HG21      ILE  19  -4.722   7.180 -11.832
  153   HG22  ILE  19          HG22      ILE  19  -5.861   8.346 -12.493
  154   HG23  ILE  19          HG23      ILE  19  -5.444   8.396 -10.765
  155   HD11  ILE  19          HD11      ILE  19  -5.432   4.523 -10.898
  156   HD12  ILE  19          HD12      ILE  19  -4.520   5.786 -10.029
  157   HD13  ILE  19          HD13      ILE  19  -5.379   4.529  -9.110
  158    H    VAL  20           H        VAL  20 -10.337   7.763 -10.022
  159    HA   VAL  20           HA       VAL  20 -11.433   5.216 -10.208
  160    HB   VAL  20           HB       VAL  20 -12.034   7.043  -8.668
  161   HG11  VAL  20          HG11      VAL  20 -13.693   8.721  -9.182
  162   HG12  VAL  20          HG12      VAL  20 -12.296   8.927 -10.242
  163   HG13  VAL  20          HG13      VAL  20 -13.784   8.182 -10.868
  164   HG21  VAL  20          HG21      VAL  20 -13.428   5.026  -8.820
  165   HG22  VAL  20          HG22      VAL  20 -14.374   6.458  -8.379
  166   HG23  VAL  20          HG23      VAL  20 -14.451   5.822 -10.036
  167    H    ASP  21           H        ASP  21 -11.650   7.866 -12.566
  168    HA   ASP  21           HA       ASP  21 -13.627   6.461 -14.214
  169    HB2  ASP  21           HB2      ASP  21 -13.661   8.917 -13.857
  170    HB3  ASP  21           HB3      ASP  21 -12.088   9.049 -14.644
  171    H    ALA  22           H        ALA  22 -10.272   6.161 -13.837
  172    HA   ALA  22           HA       ALA  22  -9.541   6.119 -16.660
  173    HB1  ALA  22           HB1      ALA  22  -7.974   6.948 -14.897
  174    HB2  ALA  22           HB2      ALA  22  -7.903   5.294 -14.229
  175    HB3  ALA  22           HB3      ALA  22  -7.307   5.626 -15.863
  176    H    GLU  23           H        GLU  23  -8.124   4.132 -17.329
  177    HA   GLU  23           HA       GLU  23  -9.199   1.531 -16.518
  178    HB2  GLU  23           HB2      GLU  23 -10.888   2.504 -18.144
  179    HB3  GLU  23           HB3      GLU  23  -9.610   2.598 -19.350
  180    HG2  GLU  23           HG2      GLU  23 -10.902   0.637 -19.794
  181    HG3  GLU  23           HG3      GLU  23  -9.339   0.099 -19.204
  182    H    ASP  24           H        ASP  24  -7.177   3.466 -18.798
  183    HA   ASP  24           HA       ASP  24  -5.077   1.359 -18.712
  184    HB2  ASP  24           HB2      ASP  24  -6.503   1.439 -20.859
  185    HB3  ASP  24           HB3      ASP  24  -5.744   3.011 -21.150
  186    H    LYS  25           H        LYS  25  -3.014   2.434 -19.630
  187    HA   LYS  25           HA       LYS  25  -2.111   4.225 -17.701
  188    HB2  LYS  25           HB2      LYS  25  -0.046   4.342 -19.012
  189    HB3  LYS  25           HB3      LYS  25  -0.684   2.714 -18.863
  190    HG2  LYS  25           HG2      LYS  25  -1.702   3.099 -21.252
  191    HG3  LYS  25           HG3      LYS  25  -0.652   4.513 -21.309
  192    HD2  LYS  25           HD2      LYS  25   0.467   2.663 -22.397
  193    HD3  LYS  25           HD3      LYS  25   1.318   3.060 -20.908
  194    HE2  LYS  25           HE2      LYS  25   1.230   0.677 -21.063
  195    HE3  LYS  25           HE3      LYS  25   0.145   1.157 -19.756
  196    HZ1  LYS  25           HZ1      LYS  25  -0.777  -0.553 -21.236
  197    HZ2  LYS  25           HZ2      LYS  25  -1.738   0.758 -21.199
  198    HZ3  LYS  25           HZ3      LYS  25  -0.760   0.476 -22.497
  199    H    GLU  26           H        GLU  26  -3.288   5.022 -20.961
  200    HA   GLU  26           HA       GLU  26  -2.457   7.799 -20.883
  201    HB2  GLU  26           HB2      GLU  26  -4.564   6.314 -22.524
  202    HB3  GLU  26           HB3      GLU  26  -4.139   8.014 -22.759
  203    HG2  GLU  26           HG2      GLU  26  -1.785   7.366 -23.232
  204    HG3  GLU  26           HG3      GLU  26  -2.209   5.666 -23.031
  205    H    GLU  27           H        GLU  27  -5.417   5.982 -19.989
  206    HA   GLU  27           HA       GLU  27  -6.958   8.346 -19.356
  207    HB2  GLU  27           HB2      GLU  27  -7.398   5.505 -18.381
  208    HB3  GLU  27           HB3      GLU  27  -8.569   6.819 -18.448
  209    HG2  GLU  27           HG2      GLU  27  -7.337   5.342 -20.802
  210    HG3  GLU  27           HG3      GLU  27  -8.990   5.223 -20.224
  211    H    ARG  28           H        ARG  28  -4.791   6.151 -17.499
  212    HA   ARG  28           HA       ARG  28  -5.435   7.363 -14.946
  213    HB2  ARG  28           HB2      ARG  28  -3.066   5.703 -15.919
  214    HB3  ARG  28           HB3      ARG  28  -3.179   6.360 -14.273
  215    HG2  ARG  28           HG2      ARG  28  -5.309   5.198 -13.916
  216    HG3  ARG  28           HG3      ARG  28  -5.225   4.483 -15.529
  217    HD2  ARG  28           HD2      ARG  28  -3.008   4.069 -13.481
  218    HD3  ARG  28           HD3      ARG  28  -4.470   3.094 -13.440
  219    HE   ARG  28           HE       ARG  28  -2.247   2.814 -15.263
  220   HH11  ARG  28          HH11      ARG  28  -5.723   2.121 -14.909
  221   HH12  ARG  28          HH12      ARG  28  -5.732   0.933 -16.166
  222   HH21  ARG  28          HH21      ARG  28  -2.208   1.270 -16.723
  223   HH22  ARG  28          HH22      ARG  28  -3.594   0.260 -17.103
  224    H    ALA  29           H        ALA  29  -2.912   8.072 -17.427
  225    HA   ALA  29           HA       ALA  29  -1.694  10.196 -15.987
  226    HB1  ALA  29           HB1      ALA  29  -0.770  10.836 -18.145
  227    HB2  ALA  29           HB2      ALA  29  -0.748   9.076 -18.005
  228    HB3  ALA  29           HB3      ALA  29  -1.991   9.862 -19.000
  229    H    MET  30           H        MET  30  -4.512  10.184 -18.257
  230    HA   MET  30           HA       MET  30  -5.010  12.991 -18.004
  231    HB2  MET  30           HB2      MET  30  -6.809  10.691 -18.790
  232    HB3  MET  30           HB3      MET  30  -7.309  12.383 -18.813
  233    HG2  MET  30           HG2      MET  30  -4.979  11.238 -20.404
  234    HG3  MET  30           HG3      MET  30  -6.586  11.578 -21.017
  235    HE1  MET  30           HE1      MET  30  -3.102  14.488 -20.660
  236    HE2  MET  30           HE2      MET  30  -3.557  13.827 -19.096
  237    HE3  MET  30           HE3      MET  30  -3.093  12.732 -20.404
  238    H    GLY  31           H        GLY  31  -6.188  10.239 -16.022
  239    HA2  GLY  31           HA2      GLY  31  -8.010  11.660 -14.420
  240    HA3  GLY  31           HA3      GLY  31  -7.049  10.257 -13.907
  241    H    TRP  32           H        TRP  32  -4.476  11.101 -13.871
  242    HA   TRP  32           HA       TRP  32  -4.246  12.766 -11.580
  243    HB2  TRP  32           HB2      TRP  32  -2.301  11.733 -13.650
  244    HB3  TRP  32           HB3      TRP  32  -1.793  12.944 -12.484
  245    HD1  TRP  32           HD1      TRP  32  -2.564   9.265 -12.709
  246    HE1  TRP  32           HE1      TRP  32  -1.872   8.121 -10.529
  247    HE3  TRP  32           HE3      TRP  32  -1.809  13.433  -9.857
  248    HZ2  TRP  32           HZ2      TRP  32  -1.427   8.945  -7.750
  249    HZ3  TRP  32           HZ3      TRP  32  -1.250  13.229  -7.446
  250    HH2  TRP  32           HH2      TRP  32  -1.042  10.985  -6.399
  251    H    TYR  33           H        TYR  33  -3.801  13.535 -15.072
  252    HA   TYR  33           HA       TYR  33  -2.874  16.164 -14.722
  253    HB2  TYR  33           HB2      TYR  33  -2.628  15.059 -16.816
  254    HB3  TYR  33           HB3      TYR  33  -4.333  14.695 -16.911
  255    HD1  TYR  33           HD1      TYR  33  -2.431  17.941 -16.454
  256    HD2  TYR  33           HD2      TYR  33  -5.367  15.701 -18.671
  257    HE1  TYR  33           HE1      TYR  33  -2.910  19.939 -17.851
  258    HE2  TYR  33           HE2      TYR  33  -5.909  17.700 -20.001
  259    HH   TYR  33           HH       TYR  33  -5.417  19.944 -20.418
  260    H    TYR  34           H        TYR  34  -6.282  14.985 -15.184
  261    HA   TYR  34           HA       TYR  34  -7.403  17.614 -15.244
  262    HB2  TYR  34           HB2      TYR  34  -8.664  14.963 -14.448
  263    HB3  TYR  34           HB3      TYR  34  -9.532  16.434 -14.848
  264    HD1  TYR  34           HD2      TYR  34  -7.296  16.780 -17.391
  265    HD2  TYR  34           HD1      TYR  34 -10.209  13.886 -16.027
  266    HE1  TYR  34           HE2      TYR  34  -7.637  16.022 -19.707
  267    HE2  TYR  34           HE1      TYR  34 -10.523  13.106 -18.353
  268    HH   TYR  34           HH       TYR  34  -8.752  14.553 -21.127
  269    H    TYR  35           H        TYR  35  -6.872  15.226 -12.579
  270    HA   TYR  35           HA       TYR  35  -8.271  16.704 -10.593
  271    HB2  TYR  35           HB2      TYR  35  -7.657  14.317 -10.424
  272    HB3  TYR  35           HB3      TYR  35  -5.952  14.747 -10.351
  273    HD1  TYR  35           HD1      TYR  35  -9.231  15.174  -8.568
  274    HD2  TYR  35           HD2      TYR  35  -4.930  15.223  -8.258
  275    HE1  TYR  35           HE1      TYR  35  -9.412  15.360  -6.106
  276    HE2  TYR  35           HE2      TYR  35  -5.093  15.434  -5.805
  277    HH   TYR  35           HH       TYR  35  -6.529  15.586  -3.966
  278    H    LEU  36           H        LEU  36  -4.778  16.712 -11.530
  279    HA   LEU  36           HA       LEU  36  -3.984  18.613  -9.529
  280    HB2  LEU  36           HB2      LEU  36  -2.793  17.379 -11.998
  281    HB3  LEU  36           HB3      LEU  36  -2.126  18.913 -11.491
  282    HG   LEU  36           HG       LEU  36  -1.429  18.108  -9.372
  283   HD11  LEU  36          HD11      LEU  36  -3.238  16.691  -8.632
  284   HD12  LEU  36          HD12      LEU  36  -2.931  15.525  -9.940
  285   HD13  LEU  36          HD13      LEU  36  -1.752  15.746  -8.624
  286   HD21  LEU  36          HD21      LEU  36  -0.072  17.489 -11.398
  287   HD22  LEU  36          HD22      LEU  36   0.158  16.378 -10.035
  288   HD23  LEU  36          HD23      LEU  36  -0.869  15.907 -11.409
  289    H    ASP  37           H        ASP  37  -4.956  18.961 -12.995
  290    HA   ASP  37           HA       ASP  37  -4.569  21.755 -13.126
  291    HB2  ASP  37           HB2      ASP  37  -4.925  20.369 -15.110
  292    HB3  ASP  37           HB3      ASP  37  -6.545  19.935 -14.561
  293    H    ASP  38           H        ASP  38  -7.301  19.874 -11.819
  294    HA   ASP  38           HA       ASP  38  -8.973  22.228 -11.437
  295    HB2  ASP  38           HB2      ASP  38  -9.922  19.982 -11.799
  296    HB3  ASP  38           HB3      ASP  38  -9.163  19.407 -10.313
  297    H    THR  39           H        THR  39  -6.378  20.737  -9.623
  298    HA   THR  39           HA       THR  39  -7.414  21.819  -7.046
  299    HB   THR  39           HB       THR  39  -5.146  19.902  -7.719
  300    HG1  THR  39           HG1      THR  39  -7.004  18.916  -8.097
  301   HG21  THR  39          HG21      THR  39  -4.557  20.891  -5.640
  302   HG22  THR  39          HG22      THR  39  -6.230  20.906  -5.071
  303   HG23  THR  39          HG23      THR  39  -5.356  19.365  -5.215
  304    H    LEU  40           H        LEU  40  -4.491  22.037  -9.124
  305    HA   LEU  40           HA       LEU  40  -2.919  23.438  -7.179
  306    HB2  LEU  40           HB2      LEU  40  -2.687  23.222 -10.201
  307    HB3  LEU  40           HB3      LEU  40  -1.426  23.861  -9.160
  308    HG   LEU  40           HG       LEU  40  -2.467  21.010  -8.886
  309   HD11  LEU  40          HD11      LEU  40  -0.125  22.030 -10.569
  310   HD12  LEU  40          HD12      LEU  40  -0.527  20.325 -10.292
  311   HD13  LEU  40          HD13      LEU  40  -1.643  21.359 -11.197
  312   HD21  LEU  40          HD21      LEU  40   0.165  22.211  -8.007
  313   HD22  LEU  40          HD22      LEU  40  -1.189  21.668  -6.970
  314   HD23  LEU  40          HD23      LEU  40  -0.297  20.499  -7.929
  315    H    GLU  41           H        GLU  41  -2.868  25.616  -6.699
  316    HA   GLU  41           HA       GLU  41  -4.922  27.264  -7.795
  317    HB2  GLU  41           HB2      GLU  41  -4.388  28.806  -6.110
  318    HB3  GLU  41           HB3      GLU  41  -4.240  27.204  -5.406
  319    HG2  GLU  41           HG2      GLU  41  -1.787  27.331  -5.509
  320    HG3  GLU  41           HG3      GLU  41  -1.839  28.863  -6.341
  321    H    PHE  42           H        PHE  42  -2.845  26.652  -9.830
  322    HA   PHE  42           HA       PHE  42  -0.883  28.555 -10.069
  323    HB2  PHE  42           HB2      PHE  42  -0.643  27.850 -12.390
  324    HB3  PHE  42           HB3      PHE  42  -0.856  26.498 -11.305
  325    HD1  PHE  42           HD1      PHE  42  -2.669  28.680 -13.779
  326    HD2  PHE  42           HD2      PHE  42  -2.538  24.882 -11.741
  327    HE1  PHE  42           HE1      PHE  42  -4.473  27.830 -15.247
  328    HE2  PHE  42           HE2      PHE  42  -4.345  24.038 -13.216
  329    HZ   PHE  42           HZ       PHE  42  -5.317  25.506 -14.968
  330    HA   PRO  43           HA       PRO  43   0.264  29.836 -12.143
  331    HB2  PRO  43           HB2      PRO  43   0.299  32.786 -11.462
  332    HB3  PRO  43           HB3      PRO  43   1.201  31.941 -12.750
  333    HG2  PRO  43           HG2      PRO  43  -1.011  33.366 -13.354
  334    HG3  PRO  43           HG3      PRO  43  -0.762  31.754 -14.102
  335    HD2  PRO  43           HD2      PRO  43  -2.495  32.473 -11.723
  336    HD3  PRO  43           HD3      PRO  43  -2.879  31.429 -13.123
  337    H    PHE  44           H        PHE  44   2.029  29.519 -10.644
  338    HA   PHE  44           HA       PHE  44   1.861  30.800  -8.017
  339    HB2  PHE  44           HB2      PHE  44   1.942  28.866  -6.679
  340    HB3  PHE  44           HB3      PHE  44   0.489  28.788  -7.647
  341    HD1  PHE  44           HD2      PHE  44   3.982  27.470  -7.390
  342    HD2  PHE  44           HD1      PHE  44   0.000  26.751  -8.839
  343    HE1  PHE  44           HE2      PHE  44   4.652  25.191  -8.026
  344    HE2  PHE  44           HE1      PHE  44   0.665  24.437  -9.460
  345    HZ   PHE  44           HZ       PHE  44   2.978  23.643  -9.050
  346    H    MET  45           H        MET  45   3.927  30.611  -6.832
  347    HA   MET  45           HA       MET  45   6.125  30.636  -8.796
  348    HB2  MET  45           HB2      MET  45   5.799  32.472  -7.120
  349    HB3  MET  45           HB3      MET  45   6.026  31.302  -5.809
  350    HG2  MET  45           HG2      MET  45   8.326  30.847  -6.657
  351    HG3  MET  45           HG3      MET  45   8.081  32.059  -7.920
  352    HE1  MET  45           HE1      MET  45  10.489  31.885  -5.975
  353    HE2  MET  45           HE2      MET  45  10.332  33.196  -7.163
  354    HE3  MET  45           HE3      MET  45  10.727  33.578  -5.469
  355    H    GLY  46           H        GLY  46   7.954  29.196  -8.716
  356    HA2  GLY  46           HA2      GLY  46   8.223  27.415  -6.422
  357    HA3  GLY  46           HA3      GLY  46   7.806  26.598  -7.933
  358    H    LYS  47           H        LYS  47  10.060  25.872  -6.829
  359    HA   LYS  47           HA       LYS  47  12.201  27.173  -8.457
  360    HB2  LYS  47           HB2      LYS  47  12.578  26.696  -5.885
  361    HB3  LYS  47           HB3      LYS  47  12.614  25.004  -6.343
  362    HG2  LYS  47           HG2      LYS  47  14.881  25.600  -6.362
  363    HG3  LYS  47           HG3      LYS  47  14.448  25.691  -8.063
  364    HD2  LYS  47           HD2      LYS  47  15.669  27.696  -7.718
  365    HD3  LYS  47           HD3      LYS  47  13.999  28.211  -7.632
  366    HE2  LYS  47           HE2      LYS  47  14.968  29.315  -5.839
  367    HE3  LYS  47           HE3      LYS  47  14.162  27.940  -5.080
  368    HZ1  LYS  47           HZ1      LYS  47  17.056  28.216  -5.642
  369    HZ2  LYS  47           HZ2      LYS  47  16.347  28.164  -4.182
  370    HZ3  LYS  47           HZ3      LYS  47  16.408  26.811  -5.102
  371    H    TRP  48           H        TRP  48  12.668  26.119 -10.318
  372    HA   TRP  48           HA       TRP  48  11.658  23.384 -10.822
  373    HB2  TRP  48           HB2      TRP  48  11.523  25.162 -12.575
  374    HB3  TRP  48           HB3      TRP  48  13.260  25.344 -12.522
  375    HD1  TRP  48           HD1      TRP  48  12.693  21.744 -12.402
  376    HE1  TRP  48           HE1      TRP  48  12.875  20.650 -14.673
  377    HE3  TRP  48           HE3      TRP  48  12.344  25.936 -15.300
  378    HZ2  TRP  48           HZ2      TRP  48  12.887  21.486 -17.467
  379    HZ3  TRP  48           HZ3      TRP  48  12.361  25.750 -17.778
  380    HH2  TRP  48           HH2      TRP  48  12.653  23.534 -18.864
  381    H    LYS  49           H        LYS  49  12.900  21.877  -9.771
  382    HA   LYS  49           HA       LYS  49  15.807  22.281  -9.364
  383    HB2  LYS  49           HB2      LYS  49  13.837  20.264  -8.170
  384    HB3  LYS  49           HB3      LYS  49  15.571  20.310  -7.875
  385    HG2  LYS  49           HG2      LYS  49  15.083  22.799  -7.119
  386    HG3  LYS  49           HG3      LYS  49  13.439  22.195  -6.897
  387    HD2  LYS  49           HD2      LYS  49  16.019  21.331  -5.554
  388    HD3  LYS  49           HD3      LYS  49  14.597  22.010  -4.780
  389    HE2  LYS  49           HE2      LYS  49  14.729  19.249  -6.095
  390    HE3  LYS  49           HE3      LYS  49  14.996  19.556  -4.379
  391    HZ1  LYS  49           HZ1      LYS  49  12.742  20.382  -4.198
  392    HZ2  LYS  49           HZ2      LYS  49  12.457  20.085  -5.798
  393    HZ3  LYS  49           HZ3      LYS  49  12.751  18.850  -4.769
  394    H    LYS  50           H        LYS  50  15.697  22.120 -11.810
  395    HA   LYS  50           HA       LYS  50  14.835  19.826 -13.215
  396    HB2  LYS  50           HB2      LYS  50  15.521  22.011 -14.235
  397    HB3  LYS  50           HB3      LYS  50  17.210  21.624 -13.895
  398    HG2  LYS  50           HG2      LYS  50  17.080  19.636 -15.352
  399    HG3  LYS  50           HG3      LYS  50  15.348  19.912 -15.611
  400    HD2  LYS  50           HD2      LYS  50  15.853  22.086 -16.697
  401    HD3  LYS  50           HD3      LYS  50  17.591  21.815 -16.435
  402    HE2  LYS  50           HE2      LYS  50  17.493  19.769 -17.828
  403    HE3  LYS  50           HE3      LYS  50  15.753  19.991 -18.059
  404    HZ1  LYS  50           HZ1      LYS  50  17.012  20.819 -19.944
  405    HZ2  LYS  50           HZ2      LYS  50  16.235  22.058 -19.232
  406    HZ3  LYS  50           HZ3      LYS  50  17.846  21.864 -19.015
  407    H    LYS  51           H        LYS  51  15.387  17.741 -12.743
  408    HA   LYS  51           HA       LYS  51  17.999  17.133 -11.561
  409    HB2  LYS  51           HB2      LYS  51  15.765  16.156 -10.841
  410    HB3  LYS  51           HB3      LYS  51  15.721  15.269 -12.369
  411    HG2  LYS  51           HG2      LYS  51  17.729  14.004 -11.740
  412    HG3  LYS  51           HG3      LYS  51  17.998  15.050 -10.345
  413    HD2  LYS  51           HD2      LYS  51  17.067  12.935  -9.598
  414    HD3  LYS  51           HD3      LYS  51  15.931  14.241  -9.293
  415    HE2  LYS  51           HE2      LYS  51  14.675  12.368 -10.077
  416    HE3  LYS  51           HE3      LYS  51  14.645  13.590 -11.346
  417    HZ1  LYS  51           HZ1      LYS  51  16.393  11.189 -11.310
  418    HZ2  LYS  51           HZ2      LYS  51  15.056  11.368 -12.216
  419    HZ3  LYS  51           HZ3      LYS  51  16.358  12.299 -12.515
  420    H    SER  52           H        SER  52  16.605  17.176 -14.750
  421    HA   SER  52           HA       SER  52  18.246  15.135 -15.849
  422    HB2  SER  52           HB2      SER  52  16.834  17.399 -17.282
  423    HB3  SER  52           HB3      SER  52  17.277  15.803 -17.930
  424    HG   SER  52           HG       SER  52  15.793  14.852 -16.593
  425    H    ARG  53           H        ARG  53  19.412  18.065 -14.682
  426    HA   ARG  53           HA       ARG  53  21.157  18.802 -16.879
  427    HB2  ARG  53           HB2      ARG  53  20.505  20.341 -14.975
  428    HB3  ARG  53           HB3      ARG  53  21.443  19.327 -13.888
  429    HG2  ARG  53           HG2      ARG  53  22.760  21.209 -14.372
  430    HG3  ARG  53           HG3      ARG  53  23.515  19.877 -15.214
  431    HD2  ARG  53           HD2      ARG  53  21.579  21.797 -16.583
  432    HD3  ARG  53           HD3      ARG  53  23.279  22.189 -16.396
  433    HE   ARG  53           HE       ARG  53  22.098  20.396 -18.311
  434   HH11  ARG  53          HH11      ARG  53  25.121  21.249 -16.657
  435   HH12  ARG  53          HH12      ARG  53  26.140  20.548 -17.856
  436   HH21  ARG  53          HH21      ARG  53  23.460  19.417 -19.893
  437   HH22  ARG  53          HH22      ARG  53  25.169  19.471 -19.721
  438    H    LYS  54           H        LYS  54  23.224  17.977 -17.295
  439    HA   LYS  54           HA       LYS  54  24.615  16.220 -17.612
  440    HB2  LYS  54           HB2      LYS  54  24.891  16.271 -14.590
  441    HB3  LYS  54           HB3      LYS  54  26.020  15.549 -15.731
  442    HG2  LYS  54           HG2      LYS  54  26.466  17.759 -16.742
  443    HG3  LYS  54           HG3      LYS  54  25.371  18.525 -15.585
  444    HD2  LYS  54           HD2      LYS  54  27.891  16.987 -14.836
  445    HD3  LYS  54           HD3      LYS  54  27.763  18.749 -14.971
  446    HE2  LYS  54           HE2      LYS  54  25.989  18.745 -13.207
  447    HE3  LYS  54           HE3      LYS  54  26.176  17.002 -13.033
  448    HZ1  LYS  54           HZ1      LYS  54  27.450  18.199 -11.368
  449    HZ2  LYS  54           HZ2      LYS  54  28.476  17.382 -12.336
  450    HZ3  LYS  54           HZ3      LYS  54  28.302  18.999 -12.501
  451    H    THR  55           H        THR  55  21.919  15.533 -17.618
  452    HA   THR  55           HA       THR  55  20.523  13.865 -17.756
  453    HB   THR  55           HB       THR  55  22.750  11.941 -17.015
  454    HG1  THR  55           HG1      THR  55  23.422  13.248 -18.720
  455   HG21  THR  55          HG21      THR  55  20.231  11.611 -18.705
  456   HG22  THR  55          HG22      THR  55  21.523  10.400 -18.527
  457   HG23  THR  55          HG23      THR  55  20.552  10.862 -17.126
  458    H    SER  56           H        SER  56  22.389  13.796 -14.666
  459    HA   SER  56           HA       SER  56  19.867  13.079 -13.283
  460    HB2  SER  56           HB2      SER  56  22.482  11.544 -12.931
  461    HB3  SER  56           HB3      SER  56  20.912  11.156 -12.215
  462    HG   SER  56           HG       SER  56  21.409   9.836 -14.007
  463    H    THR  57           H        THR  57  21.313  15.654 -13.122
  464    HA   THR  57           HA       THR  57  21.911  15.568 -10.211
  465    HB   THR  57           HB       THR  57  23.675  17.254 -10.495
  466    HG1  THR  57           HG1      THR  57  23.057  16.889 -13.190
  467   HG21  THR  57          HG21      THR  57  25.456  15.776 -11.197
  468   HG22  THR  57          HG22      THR  57  24.260  14.835 -10.295
  469   HG23  THR  57          HG23      THR  57  24.320  14.725 -12.069
  470    H    ILE  58           H        ILE  58  21.094  17.290  -9.037
  471    HA   ILE  58           HA       ILE  58  18.907  18.728 -10.261
  472    HB   ILE  58           HB       ILE  58  20.195  19.028  -7.529
  473   HG12  ILE  58          HG12      ILE  58  19.235  16.759  -7.873
  474   HG13  ILE  58          HG13      ILE  58  18.451  17.675  -6.604
  475   HG21  ILE  58          HG21      ILE  58  18.989  21.051  -7.903
  476   HG22  ILE  58          HG22      ILE  58  17.634  20.206  -8.662
  477   HG23  ILE  58          HG23      ILE  58  17.919  20.059  -6.914
  478   HD11  ILE  58          HD11      ILE  58  16.503  18.104  -8.002
  479   HD12  ILE  58          HD12      ILE  58  17.308  17.385  -9.410
  480   HD13  ILE  58          HD13      ILE  58  16.868  16.374  -8.023
  481    H    GLU  59           H        GLU  59  18.835  20.774 -10.996
  482    HA   GLU  59           HA       GLU  59  20.934  22.733 -10.307
  483    HB2  GLU  59           HB2      GLU  59  21.432  21.934 -12.592
  484    HB3  GLU  59           HB3      GLU  59  19.755  22.221 -13.088
  485    HG2  GLU  59           HG2      GLU  59  20.025  24.640 -12.681
  486    HG3  GLU  59           HG3      GLU  59  21.651  24.376 -12.049
  487    H    GLU  60           H        GLU  60  19.901  24.772  -9.870
  488    HA   GLU  60           HA       GLU  60  16.949  24.501  -9.521
  489    HB2  GLU  60           HB2      GLU  60  19.073  25.923  -7.873
  490    HB3  GLU  60           HB3      GLU  60  17.332  26.117  -7.649
  491    HG2  GLU  60           HG2      GLU  60  17.128  23.654  -7.282
  492    HG3  GLU  60           HG3      GLU  60  18.883  23.513  -7.383
  493    H    LYS  61           H        LYS  61  15.648  25.895 -10.551
  494    HA   LYS  61           HA       LYS  61  16.711  28.603 -11.327
  495    HB2  LYS  61           HB2      LYS  61  16.740  26.928 -13.192
  496    HB3  LYS  61           HB3      LYS  61  15.014  26.651 -12.950
  497    HG2  LYS  61           HG2      LYS  61  14.683  29.160 -13.426
  498    HG3  LYS  61           HG3      LYS  61  16.379  29.183 -13.928
  499    HD2  LYS  61           HD2      LYS  61  14.079  27.603 -15.148
  500    HD3  LYS  61           HD3      LYS  61  14.977  28.937 -15.882
  501    HE2  LYS  61           HE2      LYS  61  17.048  27.505 -15.847
  502    HE3  LYS  61           HE3      LYS  61  16.080  26.165 -15.209
  503    HZ1  LYS  61           HZ1      LYS  61  16.373  26.040 -17.612
  504    HZ2  LYS  61           HZ2      LYS  61  14.792  26.179 -17.241
  505    HZ3  LYS  61           HZ3      LYS  61  15.622  27.466 -17.833
  506    H    THR  62           H        THR  62  15.394  30.125 -10.314
  507    HA   THR  62           HA       THR  62  12.879  29.331  -9.119
  508    HB   THR  62           HB       THR  62  14.006  32.133  -9.478
  509    HG1  THR  62           HG1      THR  62  15.251  31.756  -7.702
  510   HG21  THR  62          HG21      THR  62  11.722  31.947  -8.522
  511   HG22  THR  62          HG22      THR  62  12.328  30.832  -7.278
  512   HG23  THR  62          HG23      THR  62  12.883  32.524  -7.314
  513    H    VAL  63           H        VAL  63  10.812  29.553  -9.962
  514    HA   VAL  63           HA       VAL  63  10.481  31.024 -12.497
  515    HB   VAL  63           HB       VAL  63   9.361  29.062 -13.482
  516   HG11  VAL  63          HG11      VAL  63  11.725  29.496 -14.059
  517   HG12  VAL  63          HG12      VAL  63  12.233  28.372 -12.784
  518   HG13  VAL  63          HG13      VAL  63  11.284  27.791 -14.162
  519   HG21  VAL  63          HG21      VAL  63   9.643  26.811 -12.618
  520   HG22  VAL  63          HG22      VAL  63  10.531  27.410 -11.203
  521   HG23  VAL  63          HG23      VAL  63   8.808  27.789 -11.409
  522    H    GLU  64           H        GLU  64   8.351  31.368 -13.084
  523    HA   GLU  64           HA       GLU  64   6.258  31.192 -10.939
  524    HB2  GLU  64           HB2      GLU  64   6.752  33.472 -11.968
  525    HB3  GLU  64           HB3      GLU  64   6.369  32.801 -13.541
  526    HG2  GLU  64           HG2      GLU  64   4.392  33.848 -12.980
  527    HG3  GLU  64           HG3      GLU  64   4.043  32.199 -12.486
  528    H    VAL  65           H        VAL  65   4.994  29.301 -11.284
  529    HA   VAL  65           HA       VAL  65   4.997  28.092 -13.973
  530    HB   VAL  65           HB       VAL  65   3.973  26.278 -13.211
  531   HG11  VAL  65          HG11      VAL  65   5.031  25.444 -11.217
  532   HG12  VAL  65          HG12      VAL  65   6.171  26.528 -12.031
  533   HG13  VAL  65          HG13      VAL  65   5.287  27.082 -10.595
  534   HG21  VAL  65          HG21      VAL  65   1.914  27.128 -12.320
  535   HG22  VAL  65          HG22      VAL  65   2.607  25.886 -11.291
  536   HG23  VAL  65          HG23      VAL  65   2.739  27.586 -10.809
  537    H    LEU  66           H        LEU  66   3.410  28.491 -15.471
  538    HA   LEU  66           HA       LEU  66   1.381  30.542 -14.712
  539    HB2  LEU  66           HB2      LEU  66   2.725  29.675 -17.269
  540    HB3  LEU  66           HB3      LEU  66   1.117  30.385 -17.352
  541    HG   LEU  66           HG       LEU  66   1.843  32.404 -16.198
  542   HD11  LEU  66          HD11      LEU  66   4.279  32.861 -15.843
  543   HD12  LEU  66          HD12      LEU  66   3.646  31.622 -14.764
  544   HD13  LEU  66          HD13      LEU  66   4.621  31.146 -16.170
  545   HD21  LEU  66          HD21      LEU  66   3.222  33.333 -17.994
  546   HD22  LEU  66          HD22      LEU  66   3.681  31.701 -18.522
  547   HD23  LEU  66          HD23      LEU  66   1.997  32.247 -18.669
  548    H    GLY  67           H        GLY  67   1.554  27.100 -15.428
  549    HA2  GLY  67           HA2      GLY  67  -0.925  26.448 -14.548
  550    HA3  GLY  67           HA3      GLY  67  -1.186  26.800 -16.269
  551    H    MET  68           H        MET  68  -1.701  24.339 -15.655
  552    HA   MET  68           HA       MET  68   0.527  22.478 -15.883
  553    HB2  MET  68           HB2      MET  68  -2.437  22.174 -16.528
  554    HB3  MET  68           HB3      MET  68  -1.253  20.869 -16.619
  555    HG2  MET  68           HG2      MET  68  -1.890  22.420 -14.086
  556    HG3  MET  68           HG3      MET  68  -2.616  20.880 -14.521
  557    HE1  MET  68           HE1      MET  68  -1.553  18.572 -14.310
  558    HE2  MET  68           HE2      MET  68  -0.359  18.972 -15.573
  559    HE3  MET  68           HE3      MET  68   0.175  18.267 -14.034
  560    H    ALA  69           H        ALA  69   1.188  21.378 -17.752
  561    HA   ALA  69           HA       ALA  69   1.353  22.884 -20.206
  562    HB1  ALA  69           HB1      ALA  69   2.475  20.789 -21.000
  563    HB2  ALA  69           HB2      ALA  69   3.076  21.295 -19.416
  564    HB3  ALA  69           HB3      ALA  69   1.895  19.960 -19.556
  565    HA   PRO  70           HA       PRO  70  -2.258  21.290 -22.383
  566    HB2  PRO  70           HB2      PRO  70  -1.250  20.491 -24.845
  567    HB3  PRO  70           HB3      PRO  70  -1.604  22.183 -24.385
  568    HG2  PRO  70           HG2      PRO  70   1.057  20.735 -24.272
  569    HG3  PRO  70           HG3      PRO  70   0.707  22.363 -24.941
  570    HD2  PRO  70           HD2      PRO  70   1.729  22.097 -22.471
  571    HD3  PRO  70           HD3      PRO  70   0.439  23.290 -22.765
  572    H    ASP  71           H        ASP  71  -3.270  19.335 -22.891
  573    HA   ASP  71           HA       ASP  71  -2.595  17.288 -21.235
  574    HB2  ASP  71           HB2      ASP  71  -4.450  16.148 -21.994
  575    HB3  ASP  71           HB3      ASP  71  -4.847  17.834 -22.298
  576    H    ASP  72           H        ASP  72  -1.514  17.576 -24.601
  577    HA   ASP  72           HA       ASP  72  -0.938  14.829 -25.039
  578    HB2  ASP  72           HB2      ASP  72  -0.948  16.529 -26.842
  579    HB3  ASP  72           HB3      ASP  72   0.526  17.240 -26.176
  580    H    GLU  73           H        GLU  73   0.833  17.330 -23.305
  581    HA   GLU  73           HA       GLU  73   3.280  15.680 -23.023
  582    HB2  GLU  73           HB2      GLU  73   2.425  18.328 -21.783
  583    HB3  GLU  73           HB3      GLU  73   3.959  17.529 -21.453
  584    HG2  GLU  73           HG2      GLU  73   3.085  18.428 -24.232
  585    HG3  GLU  73           HG3      GLU  73   4.085  19.371 -23.139
  586    H    CYS  74           H        CYS  74   0.390  16.628 -21.193
  587    HA   CYS  74           HA       CYS  74   1.193  15.307 -18.811
  588    HB2  CYS  74           HB2      CYS  74  -1.559  16.225 -19.675
  589    HB3  CYS  74           HB3      CYS  74  -1.060  15.777 -18.035
  590    HG   CYS  74           HG       CYS  74  -1.260  18.446 -18.457
  591    H    LEU  75           H        LEU  75   0.656  13.772 -21.563
  592    HA   LEU  75           HA       LEU  75  -0.702  11.378 -20.434
  593    HB2  LEU  75           HB2      LEU  75   0.349  12.134 -23.185
  594    HB3  LEU  75           HB3      LEU  75  -0.114  10.487 -22.809
  595    HG   LEU  75           HG       LEU  75  -2.060  12.793 -22.484
  596   HD11  LEU  75          HD11      LEU  75  -1.710  10.934 -24.872
  597   HD12  LEU  75          HD12      LEU  75  -2.967  12.180 -24.668
  598   HD13  LEU  75          HD13      LEU  75  -1.267  12.652 -24.824
  599   HD21  LEU  75          HD21      LEU  75  -3.746  10.998 -22.594
  600   HD22  LEU  75          HD22      LEU  75  -2.463   9.784 -22.777
  601   HD23  LEU  75          HD23      LEU  75  -2.628  10.688 -21.262
  602    H    LYS  76           H        LYS  76   2.399  12.755 -20.508
  603    HA   LYS  76           HA       LYS  76   3.791  10.110 -20.757
  604    HB2  LYS  76           HB2      LYS  76   4.997  12.861 -21.194
  605    HB3  LYS  76           HB3      LYS  76   5.684  11.293 -21.604
  606    HG2  LYS  76           HG2      LYS  76   3.845  11.021 -23.330
  607    HG3  LYS  76           HG3      LYS  76   3.308  12.668 -22.941
  608    HD2  LYS  76           HD2      LYS  76   5.663  13.476 -23.508
  609    HD3  LYS  76           HD3      LYS  76   6.016  11.836 -24.055
  610    HE2  LYS  76           HE2      LYS  76   5.492  13.042 -26.018
  611    HE3  LYS  76           HE3      LYS  76   4.061  12.058 -25.684
  612    HZ1  LYS  76           HZ1      LYS  76   3.446  14.354 -26.243
  613    HZ2  LYS  76           HZ2      LYS  76   3.031  14.043 -24.717
  614    HZ3  LYS  76           HZ3      LYS  76   4.374  14.950 -25.036
  615    H    ASP  77           H        ASP  77   3.650  13.172 -18.945
  616    HA   ASP  77           HA       ASP  77   4.500  11.994 -16.450
  617    HB2  ASP  77           HB2      ASP  77   6.663  12.712 -17.850
  618    HB3  ASP  77           HB3      ASP  77   6.157  14.341 -17.428
  619    H    MET  78           H        MET  78   4.438  14.194 -14.874
  620    HA   MET  78           HA       MET  78   2.071  15.785 -15.824
  621    HB2  MET  78           HB2      MET  78   3.435  15.579 -13.119
  622    HB3  MET  78           HB3      MET  78   2.238  16.819 -13.520
  623    HG2  MET  78           HG2      MET  78   1.761  13.821 -13.558
  624    HG3  MET  78           HG3      MET  78   1.235  14.946 -12.317
  625    HE1  MET  78           HE1      MET  78   0.790  13.822 -16.089
  626    HE2  MET  78           HE2      MET  78  -0.002  12.776 -14.888
  627    HE3  MET  78           HE3      MET  78  -0.978  13.704 -16.042
  628    H    TYR  79           H        TYR  79   2.382  17.937 -16.485
  629    HA   TYR  79           HA       TYR  79   5.110  19.089 -16.268
  630    HB2  TYR  79           HB2      TYR  79   3.465  18.629 -18.783
  631    HB3  TYR  79           HB3      TYR  79   4.728  19.842 -18.694
  632    HD1  TYR  79           HD2      TYR  79   7.091  19.261 -18.670
  633    HD2  TYR  79           HD1      TYR  79   4.009  16.268 -19.006
  634    HE1  TYR  79           HE2      TYR  79   8.745  17.672 -19.601
  635    HE2  TYR  79           HE1      TYR  79   5.635  14.686 -19.957
  636    HH   TYR  79           HH       TYR  79   7.867  14.327 -20.584
  637    H    VAL  80           H        VAL  80   5.165  21.328 -16.590
  638    HA   VAL  80           HA       VAL  80   2.619  22.838 -16.407
  639    HB   VAL  80           HB       VAL  80   3.844  24.196 -14.576
  640   HG11  VAL  80          HG11      VAL  80   1.812  22.927 -14.145
  641   HG12  VAL  80          HG12      VAL  80   2.754  21.440 -13.890
  642   HG13  VAL  80          HG13      VAL  80   2.915  22.821 -12.777
  643   HG21  VAL  80          HG21      VAL  80   6.054  23.027 -14.723
  644   HG22  VAL  80          HG22      VAL  80   5.361  23.008 -13.095
  645   HG23  VAL  80          HG23      VAL  80   5.297  21.547 -14.104
  646    H    GLU  81           H        GLU  81   2.774  24.907 -17.196
  647    HA   GLU  81           HA       GLU  81   5.090  25.526 -18.925
  648    HB2  GLU  81           HB2      GLU  81   2.479  27.017 -18.373
  649    HB3  GLU  81           HB3      GLU  81   3.751  27.554 -19.480
  650    HG2  GLU  81           HG2      GLU  81   3.462  25.406 -20.770
  651    HG3  GLU  81           HG3      GLU  81   2.079  25.022 -19.742
  652    H    VAL  82           H        VAL  82   6.653  27.044 -18.239
  653    HA   VAL  82           HA       VAL  82   6.190  28.454 -15.679
  654    HB   VAL  82           HB       VAL  82   8.258  27.715 -14.745
  655   HG11  VAL  82          HG11      VAL  82   6.252  26.262 -14.378
  656   HG12  VAL  82          HG12      VAL  82   6.851  25.191 -15.654
  657   HG13  VAL  82          HG13      VAL  82   7.805  25.441 -14.180
  658   HG21  VAL  82          HG21      VAL  82   9.674  25.951 -15.705
  659   HG22  VAL  82          HG22      VAL  82   8.704  25.964 -17.196
  660   HG23  VAL  82          HG23      VAL  82   9.664  27.386 -16.722
  661    H    ALA  83           H        ALA  83   7.411  30.341 -15.381
  662    HA   ALA  83           HA       ALA  83   8.932  31.318 -17.762
  663    HB1  ALA  83           HB1      ALA  83   6.736  32.424 -17.599
  664    HB2  ALA  83           HB2      ALA  83   7.067  32.860 -15.905
  665    HB3  ALA  83           HB3      ALA  83   8.048  33.555 -17.213
  666    H    ASP  84           H        ASP  84  10.895  32.105 -17.312
  667    HA   ASP  84           HA       ASP  84  12.034  31.514 -14.684
  668    HB2  ASP  84           HB2      ASP  84  13.261  30.787 -16.580
  669    HB3  ASP  84           HB3      ASP  84  13.127  32.352 -17.374
  670    H    ILE  85           H        ILE  85  11.123  32.977 -13.333
  671    HA   ILE  85           HA       ILE  85  10.846  35.708 -13.481
  672    HB   ILE  85           HB       ILE  85  11.709  34.108 -11.054
  673   HG12  ILE  85          HG12      ILE  85   8.876  34.844 -11.919
  674   HG13  ILE  85          HG13      ILE  85   9.608  33.264 -12.164
  675   HG21  ILE  85          HG21      ILE  85  10.691  35.913  -9.702
  676   HG22  ILE  85          HG22      ILE  85  11.962  36.568 -10.704
  677   HG23  ILE  85          HG23      ILE  85  10.266  36.797 -11.183
  678   HD11  ILE  85          HD11      ILE  85   8.225  33.145 -10.192
  679   HD12  ILE  85          HD12      ILE  85   9.920  33.023  -9.695
  680   HD13  ILE  85          HD13      ILE  85   9.010  34.538  -9.465
  681    H    GLY  86           H        GLY  86  12.174  37.414 -13.667
  682    HA2  GLY  86           HA2      GLY  86  13.941  38.801 -13.386
  683    HA3  GLY  86           HA3      GLY  86  14.525  37.716 -12.118
  684    H    GLY  87           H        GLY  87  14.245  36.104 -15.165
  685    HA2  GLY  87           HA2      GLY  87  17.086  36.714 -15.914
  686    HA3  GLY  87           HA3      GLY  87  16.436  35.073 -15.901
  687    H    LYS  88           H        LYS  88  14.993  34.430 -17.570
  688    HA   LYS  88           HA       LYS  88  14.870  36.034 -19.992
  689    HB2  LYS  88           HB2      LYS  88  13.075  33.716 -19.153
  690    HB3  LYS  88           HB3      LYS  88  13.210  34.384 -20.770
  691    HG2  LYS  88           HG2      LYS  88  15.461  32.987 -19.254
  692    HG3  LYS  88           HG3      LYS  88  14.466  32.269 -20.509
  693    HD2  LYS  88           HD2      LYS  88  15.300  34.002 -22.126
  694    HD3  LYS  88           HD3      LYS  88  16.401  34.605 -20.884
  695    HE2  LYS  88           HE2      LYS  88  16.370  31.748 -21.962
  696    HE3  LYS  88           HE3      LYS  88  17.443  33.026 -22.536
  697    HZ1  LYS  88           HZ1      LYS  88  18.405  33.151 -20.318
  698    HZ2  LYS  88           HZ2      LYS  88  17.423  31.958 -19.772
  699    HZ3  LYS  88           HZ3      LYS  88  18.543  31.643 -20.913
  700    H    ASP  89           H        ASP  89  12.659  35.450 -17.299
  701    HA   ASP  89           HA       ASP  89  10.990  36.459 -16.354
  702    HB2  ASP  89           HB2      ASP  89  12.897  38.050 -16.104
  703    HB3  ASP  89           HB3      ASP  89  12.205  39.017 -17.407
  704    H    ASP  90           H        ASP  90  10.974  37.023 -19.757
  705    HA   ASP  90           HA       ASP  90   8.096  37.796 -19.711
  706    HB2  ASP  90           HB2      ASP  90   9.661  39.742 -19.959
  707    HB3  ASP  90           HB3      ASP  90  10.332  38.976 -21.400
  708    H    ASP  91           H        ASP  91   9.656  35.228 -20.244
  709    HA   ASP  91           HA       ASP  91   8.184  34.473 -22.651
  710    HB2  ASP  91           HB2      ASP  91  10.507  35.056 -23.451
  711    HB3  ASP  91           HB3      ASP  91  11.139  33.799 -22.383
  712    H    VAL  92           H        VAL  92   8.115  32.019 -22.765
  713    HA   VAL  92           HA       VAL  92   8.132  30.864 -20.026
  714    HB   VAL  92           HB       VAL  92   5.986  31.956 -20.622
  715   HG11  VAL  92          HG11      VAL  92   5.961  31.594 -23.067
  716   HG12  VAL  92          HG12      VAL  92   5.692  29.857 -22.804
  717   HG13  VAL  92          HG13      VAL  92   4.474  31.040 -22.293
  718   HG21  VAL  92          HG21      VAL  92   5.891  30.137 -19.031
  719   HG22  VAL  92          HG22      VAL  92   4.459  30.104 -20.062
  720   HG23  VAL  92          HG23      VAL  92   5.757  28.937 -20.340
  721    H    TYR  93           H        TYR  93   8.151  28.673 -19.923
  722    HA   TYR  93           HA       TYR  93   8.967  27.026 -22.259
  723    HB2  TYR  93           HB2      TYR  93  10.359  27.285 -19.549
  724    HB3  TYR  93           HB3      TYR  93  10.813  26.166 -20.825
  725    HD1  TYR  93           HD1      TYR  93  10.804  29.732 -19.793
  726    HD2  TYR  93           HD2      TYR  93  12.030  26.899 -22.812
  727    HE1  TYR  93           HE1      TYR  93  12.211  31.472 -20.841
  728    HE2  TYR  93           HE2      TYR  93  13.484  28.620 -23.840
  729    HH   TYR  93           HH       TYR  93  13.654  31.988 -22.619
  730    H    THR  94           H        THR  94   9.356  24.661 -20.954
  731    HA   THR  94           HA       THR  94   6.959  24.198 -19.236
  732    HB   THR  94           HB       THR  94   7.730  22.192 -21.357
  733    HG1  THR  94           HG1      THR  94   7.208  24.079 -22.475
  734   HG21  THR  94          HG21      THR  94   6.224  21.494 -19.500
  735   HG22  THR  94          HG22      THR  94   5.091  22.788 -19.947
  736   HG23  THR  94          HG23      THR  94   5.414  21.450 -21.074
  737    H    ALA  95           H        ALA  95   7.310  22.862 -17.572
  738    HA   ALA  95           HA       ALA  95   9.943  21.482 -17.294
  739    HB1  ALA  95           HB1      ALA  95   8.411  23.095 -15.194
  740    HB2  ALA  95           HB2      ALA  95   9.887  22.160 -14.903
  741    HB3  ALA  95           HB3      ALA  95   9.934  23.580 -15.970
  742    H    LYS  96           H        LYS  96   9.794  19.581 -15.921
  743    HA   LYS  96           HA       LYS  96   7.216  18.184 -15.980
  744    HB2  LYS  96           HB2      LYS  96   9.928  17.561 -14.722
  745    HB3  LYS  96           HB3      LYS  96   8.519  16.505 -14.621
  746    HG2  LYS  96           HG2      LYS  96   8.501  16.044 -16.936
  747    HG3  LYS  96           HG3      LYS  96   9.653  17.335 -17.316
  748    HD2  LYS  96           HD2      LYS  96  10.413  15.062 -15.461
  749    HD3  LYS  96           HD3      LYS  96  10.514  14.871 -17.218
  750    HE2  LYS  96           HE2      LYS  96  12.202  16.449 -17.480
  751    HE3  LYS  96           HE3      LYS  96  11.789  17.312 -15.993
  752    HZ1  LYS  96           HZ1      LYS  96  12.988  14.619 -15.955
  753    HZ2  LYS  96           HZ2      LYS  96  13.863  16.001 -15.864
  754    HZ3  LYS  96           HZ3      LYS  96  12.766  15.674 -14.689
  755    H    LEU  97           H        LEU  97   5.817  18.146 -14.241
  756    HA   LEU  97           HA       LEU  97   6.164  19.937 -11.995
  757    HB2  LEU  97           HB2      LEU  97   3.931  19.108 -12.866
  758    HB3  LEU  97           HB3      LEU  97   4.345  17.512 -12.227
  759    HG   LEU  97           HG       LEU  97   4.462  18.486  -9.914
  760   HD11  LEU  97          HD11      LEU  97   3.469  21.011 -11.321
  761   HD12  LEU  97          HD12      LEU  97   3.412  20.753  -9.572
  762   HD13  LEU  97          HD13      LEU  97   4.970  20.835 -10.384
  763   HD21  LEU  97          HD21      LEU  97   1.847  18.980 -11.388
  764   HD22  LEU  97          HD22      LEU  97   2.413  17.417 -10.748
  765   HD23  LEU  97          HD23      LEU  97   2.040  18.741  -9.636
  766    H    SER  98           H        SER  98   7.037  16.639 -12.787
  767    HA   SER  98           HA       SER  98   7.767  15.612 -10.241
  768    HB2  SER  98           HB2      SER  98   8.765  15.015 -13.063
  769    HB3  SER  98           HB3      SER  98   8.986  13.972 -11.659
  770    HG   SER  98           HG       SER  98   6.897  14.016 -13.271
  771    H    ASP  99           H        ASP  99   9.184  18.206 -11.950
  772    HA   ASP  99           HA       ASP  99  11.784  17.918 -10.510
  773    HB2  ASP  99           HB2      ASP  99  11.179  19.003 -13.291
  774    HB3  ASP  99           HB3      ASP  99  12.638  19.408 -12.412
  775    H    ILE 100           H        ILE 100   8.948  19.340 -10.028
  776    HA   ILE 100           HA       ILE 100  10.030  22.088  -9.589
  777    HB   ILE 100           HB       ILE 100   7.423  21.050 -10.597
  778   HG12  ILE 100          HG12      ILE 100   9.380  22.169 -11.880
  779   HG13  ILE 100          HG13      ILE 100   7.713  22.578 -12.286
  780   HG21  ILE 100          HG21      ILE 100   7.501  23.624  -8.986
  781   HG22  ILE 100          HG22      ILE 100   6.210  23.143 -10.107
  782   HG23  ILE 100          HG23      ILE 100   6.530  22.171  -8.669
  783   HD11  ILE 100          HD11      ILE 100   7.892  24.719 -11.169
  784   HD12  ILE 100          HD12      ILE 100   9.484  24.290 -10.505
  785   HD13  ILE 100          HD13      ILE 100   9.271  24.513 -12.255
  786    H    GLU 101           H        GLU 101   9.713  23.042  -7.726
  787    HA   GLU 101           HA       GLU 101   8.304  21.629  -5.509
  788    HB2  GLU 101           HB2      GLU 101  10.758  21.406  -5.273
  789    HB3  GLU 101           HB3      GLU 101  10.949  23.158  -5.367
  790    HG2  GLU 101           HG2      GLU 101   9.550  23.402  -3.310
  791    HG3  GLU 101           HG3      GLU 101   9.386  21.645  -3.223
  792    H    ALA 102           H        ALA 102   6.515  22.902  -5.133
  793    HA   ALA 102           HA       ALA 102   6.372  25.637  -6.077
  794    HB1  ALA 102           HB1      ALA 102   4.192  25.660  -4.968
  795    HB2  ALA 102           HB2      ALA 102   4.374  24.196  -5.922
  796    HB3  ALA 102           HB3      ALA 102   4.560  24.119  -4.152
  797    H    ILE 103           H        ILE 103   6.357  27.522  -4.894
  798    HA   ILE 103           HA       ILE 103   7.565  27.434  -2.160
  799    HB   ILE 103           HB       ILE 103   7.828  29.432  -4.432
  800   HG12  ILE 103          HG12      ILE 103  10.022  27.831  -3.032
  801   HG13  ILE 103          HG13      ILE 103   9.246  27.279  -4.503
  802   HG21  ILE 103          HG21      ILE 103   7.719  30.637  -2.265
  803   HG22  ILE 103          HG22      ILE 103   9.005  29.594  -1.621
  804   HG23  ILE 103          HG23      ILE 103   9.331  30.726  -2.953
  805   HD11  ILE 103          HD11      ILE 103   9.963  29.397  -5.657
  806   HD12  ILE 103          HD12      ILE 103  10.916  29.803  -4.209
  807   HD13  ILE 103          HD13      ILE 103  11.287  28.347  -5.133
  808    H    ASP 104           H        ASP 104   6.446  28.332  -0.582
  809    HA   ASP 104           HA       ASP 104   4.734  29.166   0.598
  810    HB2  ASP 104           HB2      ASP 104   6.185  31.083   0.082
  811    HB3  ASP 104           HB3      ASP 104   5.167  31.482  -1.304
  812    H    VAL 105           H        VAL 105   3.660  27.376  -1.190
  813    HA   VAL 105           HA       VAL 105   1.367  28.698  -2.501
  814    HB   VAL 105           HB       VAL 105   3.049  27.017  -3.556
  815   HG11  VAL 105          HG11      VAL 105   2.854  25.159  -1.989
  816   HG12  VAL 105          HG12      VAL 105   1.137  25.004  -2.387
  817   HG13  VAL 105          HG13      VAL 105   2.343  24.687  -3.622
  818   HG21  VAL 105          HG21      VAL 105   1.536  26.457  -5.237
  819   HG22  VAL 105          HG22      VAL 105   0.139  26.756  -4.160
  820   HG23  VAL 105          HG23      VAL 105   1.188  28.088  -4.667
  821    H    ASP 106           H        ASP 106  -0.769  27.548  -2.399
  822    HA   ASP 106           HA       ASP 106  -1.628  27.329   0.314
  823    HB2  ASP 106           HB2      ASP 106  -3.153  28.028  -1.451
  824    HB3  ASP 106           HB3      ASP 106  -3.006  26.422  -2.217
  825    H    ASP 107           H        ASP 107  -2.837  25.566   1.109
  826    HA   ASP 107           HA       ASP 107  -1.121  23.305   1.630
  827    HB2  ASP 107           HB2      ASP 107  -2.678  24.141   3.313
  828    HB3  ASP 107           HB3      ASP 107  -4.056  23.785   2.267
  829    H    ASP 108           H        ASP 108  -4.090  23.711  -0.437
  830    HA   ASP 108           HA       ASP 108  -4.191  20.868  -0.947
  831    HB2  ASP 108           HB2      ASP 108  -6.089  22.647  -0.925
  832    HB3  ASP 108           HB3      ASP 108  -5.581  23.009  -2.577
  833    H    THR 109           H        THR 109  -2.667  23.649  -2.502
  834    HA   THR 109           HA       THR 109  -2.032  22.321  -5.028
  835    HB   THR 109           HB       THR 109  -0.754  24.795  -3.693
  836    HG1  THR 109           HG1      THR 109  -3.063  24.888  -4.189
  837   HG21  THR 109          HG21      THR 109  -0.706  23.783  -6.563
  838   HG22  THR 109          HG22      THR 109  -0.225  25.381  -6.069
  839   HG23  THR 109          HG23      THR 109   0.695  23.982  -5.480
  840    H    GLN 110           H        GLN 110  -0.313  22.954  -1.899
  841    HA   GLN 110           HA       GLN 110   2.048  21.608  -2.673
  842    HB2  GLN 110           HB2      GLN 110   1.854  23.248  -0.826
  843    HB3  GLN 110           HB3      GLN 110   0.905  22.091   0.105
  844    HG2  GLN 110           HG2      GLN 110   3.252  22.201   0.812
  845    HG3  GLN 110           HG3      GLN 110   2.805  20.583   0.262
  846   HE21  GLN 110          HE22      GLN 110   3.672  19.813  -1.810
  847   HE22  GLN 110          HE21      GLN 110   5.135  20.540  -2.453
  848    H    GLU 111           H        GLU 111  -0.919  20.390  -1.023
  849    HA   GLU 111           HA       GLU 111   0.083  17.762  -0.582
  850    HB2  GLU 111           HB2      GLU 111  -2.705  18.937  -0.842
  851    HB3  GLU 111           HB3      GLU 111  -2.470  17.206  -0.628
  852    HG2  GLU 111           HG2      GLU 111  -1.317  19.268   1.289
  853    HG3  GLU 111           HG3      GLU 111  -2.901  18.521   1.489
  854    H    ALA 112           H        ALA 112  -1.678  19.154  -3.429
  855    HA   ALA 112           HA       ALA 112  -1.921  16.671  -4.796
  856    HB1  ALA 112           HB1      ALA 112  -1.653  19.510  -5.868
  857    HB2  ALA 112           HB2      ALA 112  -2.193  18.102  -6.811
  858    HB3  ALA 112           HB3      ALA 112  -3.158  18.671  -5.433
  859    H    ILE 113           H        ILE 113   0.714  19.088  -4.757
  860    HA   ILE 113           HA       ILE 113   2.365  17.815  -6.731
  861    HB   ILE 113           HB       ILE 113   2.988  19.678  -4.421
  862   HG12  ILE 113          HG12      ILE 113   3.031  20.382  -7.373
  863   HG13  ILE 113          HG13      ILE 113   1.514  20.398  -6.483
  864   HG21  ILE 113          HG21      ILE 113   5.175  20.129  -5.590
  865   HG22  ILE 113          HG22      ILE 113   5.053  18.501  -4.938
  866   HG23  ILE 113          HG23      ILE 113   4.827  18.772  -6.680
  867   HD11  ILE 113          HD11      ILE 113   3.967  22.003  -5.743
  868   HD12  ILE 113          HD12      ILE 113   2.456  22.620  -6.458
  869   HD13  ILE 113          HD13      ILE 113   2.455  21.940  -4.816
  870    H    ALA 114           H        ALA 114   2.412  17.695  -3.125
  871    HA   ALA 114           HA       ALA 114   4.550  15.877  -2.882
  872    HB1  ALA 114           HB1      ALA 114   3.660  17.188  -0.990
  873    HB2  ALA 114           HB2      ALA 114   2.143  16.258  -1.045
  874    HB3  ALA 114           HB3      ALA 114   3.666  15.453  -0.619
  875    H    ASP 115           H        ASP 115   1.017  15.272  -3.148
  876    HA   ASP 115           HA       ASP 115   1.140  12.466  -2.863
  877    HB2  ASP 115           HB2      ASP 115  -0.870  13.909  -2.611
  878    HB3  ASP 115           HB3      ASP 115  -0.903  14.132  -4.368
  879    H    TRP 116           H        TRP 116   1.371  14.536  -5.763
  880    HA   TRP 116           HA       TRP 116   1.460  12.382  -7.678
  881    HB2  TRP 116           HB2      TRP 116   1.010  14.567  -8.510
  882    HB3  TRP 116           HB3      TRP 116   2.412  15.265  -7.704
  883    HD1  TRP 116           HD1      TRP 116   4.521  15.524  -9.099
  884    HE1  TRP 116           HE1      TRP 116   5.509  14.473 -11.231
  885    HE3  TRP 116           HE3      TRP 116   0.817  12.147 -10.149
  886    HZ2  TRP 116           HZ2      TRP 116   4.790  12.446 -13.125
  887    HZ3  TRP 116           HZ3      TRP 116   0.992  10.669 -12.122
  888    HH2  TRP 116           HH2      TRP 116   2.996  10.798 -13.608
  889    H    LEU 117           H        LEU 117   3.967  14.091  -5.742
  890    HA   LEU 117           HA       LEU 117   6.156  12.711  -6.974
  891    HB2  LEU 117           HB2      LEU 117   5.923  14.172  -4.324
  892    HB3  LEU 117           HB3      LEU 117   7.427  13.484  -4.920
  893    HG   LEU 117           HG       LEU 117   5.824  15.572  -6.467
  894   HD11  LEU 117          HD11      LEU 117   8.250  15.954  -4.670
  895   HD12  LEU 117          HD12      LEU 117   7.477  17.201  -5.679
  896   HD13  LEU 117          HD13      LEU 117   6.589  16.489  -4.324
  897   HD21  LEU 117          HD21      LEU 117   8.657  14.523  -6.836
  898   HD22  LEU 117          HD22      LEU 117   7.281  14.298  -7.941
  899   HD23  LEU 117          HD23      LEU 117   7.950  15.909  -7.695
  900    H    TYR 118           H        TYR 118   4.012  11.831  -4.223
  901    HA   TYR 118           HA       TYR 118   5.565   9.546  -3.442
  902    HB2  TYR 118           HB2      TYR 118   2.539   9.796  -3.368
  903    HB3  TYR 118           HB3      TYR 118   3.522   8.682  -2.445
  904    HD1  TYR 118           HD2      TYR 118   5.689  10.882  -1.621
  905    HD2  TYR 118           HD1      TYR 118   1.376  10.671  -1.488
  906    HE1  TYR 118           HE2      TYR 118   5.682  12.459   0.255
  907    HE2  TYR 118           HE1      TYR 118   1.348  12.329   0.337
  908    HH   TYR 118           HH       TYR 118   4.371  13.690   1.754
  909    H    TRP 119           H        TRP 119   2.882   9.921  -5.829
  910    HA   TRP 119           HA       TRP 119   2.824   7.206  -6.677
  911    HB2  TRP 119           HB2      TRP 119   1.015   8.669  -7.130
  912    HB3  TRP 119           HB3      TRP 119   2.035   9.849  -7.925
  913    HD1  TRP 119           HD1      TRP 119   2.959   9.258 -10.364
  914    HE1  TRP 119           HE1      TRP 119   1.866   8.029 -12.293
  915    HE3  TRP 119           HE3      TRP 119  -0.589   6.711  -7.708
  916    HZ2  TRP 119           HZ2      TRP 119  -0.527   6.366 -12.664
  917    HZ3  TRP 119           HZ3      TRP 119  -2.384   5.485  -8.890
  918    HH2  TRP 119           HH2      TRP 119  -2.381   5.337 -11.372
  919    H    LEU 120           H        LEU 120   4.773  10.012  -7.855
  920    HA   LEU 120           HA       LEU 120   6.116   8.647  -9.936
  921    HB2  LEU 120           HB2      LEU 120   6.065  11.115  -9.560
  922    HB3  LEU 120           HB3      LEU 120   7.036  10.899  -8.106
  923    HG   LEU 120           HG       LEU 120   8.881   9.922  -9.553
  924   HD11  LEU 120          HD11      LEU 120   7.082  10.959 -11.795
  925   HD12  LEU 120          HD12      LEU 120   8.780  10.474 -11.988
  926   HD13  LEU 120          HD13      LEU 120   7.568   9.273 -11.532
  927   HD21  LEU 120          HD21      LEU 120   7.929  12.761 -10.069
  928   HD22  LEU 120          HD22      LEU 120   8.944  12.212  -8.722
  929   HD23  LEU 120          HD23      LEU 120   9.580  12.157 -10.371
  930    H    ALA 121           H        ALA 121   7.101   9.162  -6.491
  931    HA   ALA 121           HA       ALA 121   9.520   7.708  -6.639
  932    HB1  ALA 121           HB1      ALA 121   7.681   8.213  -4.259
  933    HB2  ALA 121           HB2      ALA 121   9.376   7.690  -4.166
  934    HB3  ALA 121           HB3      ALA 121   8.980   9.287  -4.829
  935    H    ARG 122           H        ARG 122   6.188   6.581  -6.267
  936    HA   ARG 122           HA       ARG 122   6.743   3.943  -5.382
  937    HB2  ARG 122           HB2      ARG 122   4.458   5.496  -6.209
  938    HB3  ARG 122           HB3      ARG 122   4.464   4.064  -7.221
  939    HG2  ARG 122           HG2      ARG 122   3.224   3.375  -5.413
  940    HG3  ARG 122           HG3      ARG 122   4.818   2.762  -4.950
  941    HD2  ARG 122           HD2      ARG 122   5.209   4.906  -3.687
  942    HD3  ARG 122           HD3      ARG 122   3.562   5.417  -4.046
  943    HE   ARG 122           HE       ARG 122   4.439   3.730  -1.941
  944   HH11  ARG 122          HH11      ARG 122   1.770   3.837  -4.282
  945   HH12  ARG 122          HH12      ARG 122   0.689   2.901  -3.288
  946   HH21  ARG 122          HH21      ARG 122   2.820   2.957  -0.476
  947   HH22  ARG 122          HH22      ARG 122   1.279   2.414  -1.099
  948    H    GLY 123           H        GLY 123   7.551   5.371  -8.428
  949    HA2  GLY 123           HA2      GLY 123   8.387   4.404 -10.345
  950    HA3  GLY 123           HA3      GLY 123   8.216   2.786  -9.631
  951    H    TYR 124           H        TYR 124   5.711   5.290  -9.854
  952    HA   TYR 124           HA       TYR 124   3.653   5.442 -10.612
  953    HB2  TYR 124           HB2      TYR 124   5.225   4.272 -12.894
  954    HB3  TYR 124           HB3      TYR 124   3.550   4.709 -13.141
  955    HD1  TYR 124           HD1      TYR 124   4.382   7.304 -11.062
  956    HD2  TYR 124           HD2      TYR 124   5.367   5.704 -14.941
  957    HE1  TYR 124           HE1      TYR 124   4.885   9.563 -11.847
  958    HE2  TYR 124           HE2      TYR 124   5.949   7.977 -15.732
  959    HH   TYR 124           HH       TYR 124   6.116  10.215 -15.180
  960    H    LYS 125           H        LYS 125   1.771   4.626 -11.632
  961    HA   LYS 125           HA       LYS 125   1.455   1.673 -11.633
  962    HB2  LYS 125           HB2      LYS 125  -0.725   3.503 -10.627
  963    HB3  LYS 125           HB3      LYS 125  -0.720   1.751 -10.666
  964    HG2  LYS 125           HG2      LYS 125   1.166   1.791  -8.970
  965    HG3  LYS 125           HG3      LYS 125   0.904   3.548  -8.835
  966    HD2  LYS 125           HD2      LYS 125  -1.492   3.115  -8.240
  967    HD3  LYS 125           HD3      LYS 125  -1.196   1.371  -8.365
  968    HE2  LYS 125           HE2      LYS 125   0.510   1.578  -6.527
  969    HE3  LYS 125           HE3      LYS 125   0.065   3.285  -6.361
  970    HZ1  LYS 125           HZ1      LYS 125  -1.741   0.971  -5.930
  971    HZ2  LYS 125           HZ2      LYS 125  -1.147   1.944  -4.759
  972    HZ3  LYS 125           HZ3      LYS 125  -2.213   2.535  -5.846
  973    H    PHE 126           H        PHE 126   1.458   4.395 -13.446
  974    HA   PHE 126           HA       PHE 126  -0.740   4.302 -15.187
  975    HB2  PHE 126           HB2      PHE 126   2.218   4.625 -15.774
  976    HB3  PHE 126           HB3      PHE 126   0.955   4.886 -16.967
  977    HD1  PHE 126           HD2      PHE 126  -0.991   6.411 -15.010
  978    HD2  PHE 126           HD1      PHE 126   3.165   6.827 -16.046
  979    HE1  PHE 126           HE2      PHE 126  -1.071   8.793 -14.368
  980    HE2  PHE 126           HE1      PHE 126   3.056   9.236 -15.490
  981    HZ   PHE 126           HZ       PHE 126   0.932  10.230 -14.642
  Start of MODEL   15
    1    H1   MET   1           H1       MET   1   9.453  -1.243  -1.687
    2    H2   MET   1           H2       MET   1   8.217  -1.552  -0.668
    3    H3   MET   1           H3       MET   1   8.157  -2.089  -2.220
    4    HA   MET   1           HA       MET   1   8.097   0.171  -3.048
    5    HB2  MET   1           HB2      MET   1   5.936  -0.594  -1.034
    6    HB3  MET   1           HB3      MET   1   5.861   0.884  -1.987
    7    HG2  MET   1           HG2      MET   1   6.043  -0.465  -4.081
    8    HG3  MET   1           HG3      MET   1   5.957  -1.938  -3.107
    9    HE1  MET   1           HE1      MET   1   4.049  -1.259  -5.586
   10    HE2  MET   1           HE2      MET   1   3.959  -2.767  -4.645
   11    HE3  MET   1           HE3      MET   1   2.487  -1.818  -4.947
   12    H    ALA   2           H        ALA   2   8.497   2.331  -2.728
   13    HA   ALA   2           HA       ALA   2   9.855   3.271  -0.425
   14    HB1  ALA   2           HB1      ALA   2   9.566   5.485  -1.436
   15    HB2  ALA   2           HB2      ALA   2   9.975   4.315  -2.700
   16    HB3  ALA   2           HB3      ALA   2   8.298   4.877  -2.510
   17    H    SER   3           H        SER   3   9.112   4.137   1.488
   18    HA   SER   3           HA       SER   3   6.288   3.870   2.140
   19    HB2  SER   3           HB2      SER   3   8.633   4.726   3.885
   20    HB3  SER   3           HB3      SER   3   7.057   4.122   4.427
   21    HG   SER   3           HG       SER   3   8.679   2.503   4.471
   22    H    VAL   4           H        VAL   4   6.911   5.954   0.289
   23    HA   VAL   4           HA       VAL   4   7.330   8.510   1.429
   24    HB   VAL   4           HB       VAL   4   6.342   9.218  -0.880
   25   HG11  VAL   4          HG11      VAL   4   8.675   9.295  -0.383
   26   HG12  VAL   4          HG12      VAL   4   8.848   7.535  -0.578
   27   HG13  VAL   4          HG13      VAL   4   8.479   8.561  -1.979
   28   HG21  VAL   4          HG21      VAL   4   5.140   7.079  -1.399
   29   HG22  VAL   4          HG22      VAL   4   6.305   7.568  -2.632
   30   HG23  VAL   4          HG23      VAL   4   6.709   6.255  -1.547
   31    H    GLU   5           H        GLU   5   4.334   6.679   1.101
   32    HA   GLU   5           HA       GLU   5   2.546   8.902   1.204
   33    HB2  GLU   5           HB2      GLU   5   0.843   7.290   1.581
   34    HB3  GLU   5           HB3      GLU   5   1.953   6.619   0.405
   35    HG2  GLU   5           HG2      GLU   5   1.766   5.883   3.357
   36    HG3  GLU   5           HG3      GLU   5   1.151   4.941   2.010
   37    H    ARG   6           H        ARG   6   1.238   9.645   2.997
   38    HA   ARG   6           HA       ARG   6   2.508   9.896   5.570
   39    HB2  ARG   6           HB2      ARG   6   1.008  11.586   4.833
   40    HB3  ARG   6           HB3      ARG   6  -0.279  10.451   4.456
   41    HG2  ARG   6           HG2      ARG   6   0.645  10.712   7.326
   42    HG3  ARG   6           HG3      ARG   6  -0.352  11.980   6.604
   43    HD2  ARG   6           HD2      ARG   6  -2.086  10.326   5.993
   44    HD3  ARG   6           HD3      ARG   6  -1.137   9.046   6.762
   45    HE   ARG   6           HE       ARG   6  -1.496  11.141   8.627
   46   HH11  ARG   6          HH11      ARG   6  -3.513   8.594   7.056
   47   HH12  ARG   6          HH12      ARG   6  -4.574   8.490   8.392
   48   HH21  ARG   6          HH21      ARG   6  -2.965  10.954  10.356
   49   HH22  ARG   6          HH22      ARG   6  -4.280   9.847  10.284
   50    H    ASP   7           H        ASP   7  -0.142   7.913   4.260
   51    HA   ASP   7           HA       ASP   7   0.590   5.542   5.589
   52    HB2  ASP   7           HB2      ASP   7  -0.603   6.662   7.513
   53    HB3  ASP   7           HB3      ASP   7  -2.020   6.850   6.488
   54    H    GLU   8           H        GLU   8  -1.341   3.926   4.900
   55    HA   GLU   8           HA       GLU   8  -1.677   4.116   2.104
   56    HB2  GLU   8           HB2      GLU   8  -3.013   2.127   2.280
   57    HB3  GLU   8           HB3      GLU   8  -1.649   2.015   3.390
   58    HG2  GLU   8           HG2      GLU   8  -3.158   2.641   5.284
   59    HG3  GLU   8           HG3      GLU   8  -4.516   2.735   4.165
   60    H    THR   9           H        THR   9  -3.327   5.999   4.359
   61    HA   THR   9           HA       THR   9  -5.961   6.225   3.340
   62    HB   THR   9           HB       THR   9  -4.377   8.639   4.176
   63    HG1  THR   9           HG1      THR   9  -4.997   6.551   5.983
   64   HG21  THR   9          HG21      THR   9  -7.064   7.537   5.095
   65   HG22  THR   9          HG22      THR   9  -6.345   9.093   5.572
   66   HG23  THR   9          HG23      THR   9  -6.815   8.815   3.885
   67    H    ARG  10           H        ARG  10  -2.800   7.581   2.213
   68    HA   ARG  10           HA       ARG  10  -4.066   9.333   0.273
   69    HB2  ARG  10           HB2      ARG  10  -1.204   8.272   0.275
   70    HB3  ARG  10           HB3      ARG  10  -1.861   9.556  -0.744
   71    HG2  ARG  10           HG2      ARG  10  -2.448  10.777   1.494
   72    HG3  ARG  10           HG3      ARG  10  -1.360   9.597   2.241
   73    HD2  ARG  10           HD2      ARG  10   0.203  11.242   1.759
   74    HD3  ARG  10           HD3      ARG  10   0.249  10.351   0.226
   75    HE   ARG  10           HE       ARG  10  -0.953  12.008  -0.858
   76   HH11  ARG  10          HH11      ARG  10  -0.497  13.011   2.590
   77   HH12  ARG  10          HH12      ARG  10  -0.813  14.689   2.192
   78   HH21  ARG  10          HH21      ARG  10  -1.347  14.308  -1.171
   79   HH22  ARG  10          HH22      ARG  10  -1.273  15.364   0.225
   80    H    GLU  11           H        GLU  11  -2.613   6.036   0.106
   81    HA   GLU  11           HA       GLU  11  -2.990   5.774  -2.722
   82    HB2  GLU  11           HB2      GLU  11  -2.723   3.664  -0.540
   83    HB3  GLU  11           HB3      GLU  11  -2.727   3.337  -2.282
   84    HG2  GLU  11           HG2      GLU  11  -0.786   4.947  -2.522
   85    HG3  GLU  11           HG3      GLU  11  -0.706   5.039  -0.759
   86    H    HIS  12           H        HIS  12  -5.070   4.985   0.084
   87    HA   HIS  12           HA       HIS  12  -7.185   3.791  -1.359
   88    HB2  HIS  12           HB2      HIS  12  -6.938   3.724   1.087
   89    HB3  HIS  12           HB3      HIS  12  -7.210   5.460   1.188
   90    HD1  HIS  12           HD1      HIS  12  -9.481   3.063  -0.873
   91    HD2  HIS  12           HD2      HIS  12  -9.391   5.390   2.635
   92    HE1  HIS  12           HE1      HIS  12 -11.850   3.059   0.049
   93    H    ARG  13           H        ARG  13  -6.642   7.311  -0.563
   94    HA   ARG  13           HA       ARG  13  -9.025   8.064  -2.042
   95    HB2  ARG  13           HB2      ARG  13  -6.728   9.673  -0.877
   96    HB3  ARG  13           HB3      ARG  13  -8.085  10.420  -1.728
   97    HG2  ARG  13           HG2      ARG  13  -8.426   8.597   0.690
   98    HG3  ARG  13           HG3      ARG  13  -8.303  10.350   0.801
   99    HD2  ARG  13           HD2      ARG  13 -10.358  10.714  -0.318
  100    HD3  ARG  13           HD3      ARG  13 -10.439   9.082  -0.961
  101    HE   ARG  13           HE       ARG  13 -11.017   9.950   1.801
  102   HH11  ARG  13          HH11      ARG  13 -11.088   7.251  -0.579
  103   HH12  ARG  13          HH12      ARG  13 -11.497   6.083   0.629
  104   HH21  ARG  13          HH21      ARG  13 -11.856   8.386   3.271
  105   HH22  ARG  13          HH22      ARG  13 -12.155   6.770   2.751
  106    H    ILE  14           H        ILE  14  -5.621   7.760  -3.011
  107    HA   ILE  14           HA       ILE  14  -5.915   8.984  -5.571
  108    HB   ILE  14           HB       ILE  14  -4.166   6.764  -4.468
  109   HG12  ILE  14          HG12      ILE  14  -3.297   9.454  -5.573
  110   HG13  ILE  14          HG13      ILE  14  -3.888   9.315  -3.925
  111   HG21  ILE  14          HG21      ILE  14  -4.070   7.844  -7.313
  112   HG22  ILE  14          HG22      ILE  14  -2.837   6.809  -6.564
  113   HG23  ILE  14          HG23      ILE  14  -4.465   6.179  -6.819
  114   HD11  ILE  14          HD11      ILE  14  -2.082   7.691  -3.394
  115   HD12  ILE  14          HD12      ILE  14  -1.445   7.881  -5.045
  116   HD13  ILE  14          HD13      ILE  14  -1.464   9.251  -3.916
  117    H    GLU  15           H        GLU  15  -6.435   5.580  -4.468
  118    HA   GLU  15           HA       GLU  15  -7.377   4.649  -6.946
  119    HB2  GLU  15           HB2      GLU  15  -6.497   3.220  -5.155
  120    HB3  GLU  15           HB3      GLU  15  -7.839   3.659  -4.103
  121    HG2  GLU  15           HG2      GLU  15  -8.206   1.456  -5.023
  122    HG3  GLU  15           HG3      GLU  15  -9.437   2.582  -5.582
  123    H    THR  16           H        THR  16  -9.222   5.950  -4.143
  124    HA   THR  16           HA       THR  16 -11.748   5.321  -5.485
  125    HB   THR  16           HB       THR  16 -12.764   6.172  -3.346
  126    HG1  THR  16           HG1      THR  16 -10.085   6.107  -2.419
  127   HG21  THR  16          HG21      THR  16 -12.314   3.783  -3.761
  128   HG22  THR  16          HG22      THR  16 -10.692   3.957  -3.062
  129   HG23  THR  16          HG23      THR  16 -12.141   4.214  -2.057
  130    H    GLU  17           H        GLU  17  -9.769   7.845  -6.000
  131    HA   GLU  17           HA       GLU  17 -12.039   9.467  -6.940
  132    HB2  GLU  17           HB2      GLU  17 -11.578  10.349  -4.685
  133    HB3  GLU  17           HB3      GLU  17  -9.899  10.670  -5.135
  134    HG2  GLU  17           HG2      GLU  17 -10.603  12.277  -6.828
  135    HG3  GLU  17           HG3      GLU  17 -12.303  11.881  -6.549
  136    H    ILE  18           H        ILE  18  -8.429   9.746  -6.672
  137    HA   ILE  18           HA       ILE  18  -8.303  11.355  -8.965
  138    HB   ILE  18           HB       ILE  18  -6.065   9.715  -7.726
  139   HG12  ILE  18          HG12      ILE  18  -7.155  12.521  -7.165
  140   HG13  ILE  18          HG13      ILE  18  -7.156  11.148  -6.058
  141   HG21  ILE  18          HG21      ILE  18  -4.546  11.346  -8.745
  142   HG22  ILE  18          HG22      ILE  18  -5.492  10.574  -9.999
  143   HG23  ILE  18          HG23      ILE  18  -5.922  12.212  -9.471
  144   HD11  ILE  18          HD11      ILE  18  -5.454  12.626  -5.334
  145   HD12  ILE  18          HD12      ILE  18  -4.643  11.220  -6.051
  146   HD13  ILE  18          HD13      ILE  18  -4.746  12.755  -6.949
  147    H    ILE  19           H        ILE  19  -7.790   7.779  -8.765
  148    HA   ILE  19           HA       ILE  19  -7.972   7.721 -11.749
  149    HB   ILE  19           HB       ILE  19  -6.534   5.766 -11.653
  150   HG12  ILE  19          HG12      ILE  19  -5.935   6.590  -8.780
  151   HG13  ILE  19          HG13      ILE  19  -7.026   5.251  -9.199
  152   HG21  ILE  19          HG21      ILE  19  -5.744   8.095 -12.165
  153   HG22  ILE  19          HG22      ILE  19  -5.225   8.248 -10.473
  154   HG23  ILE  19          HG23      ILE  19  -4.489   7.034 -11.533
  155   HD11  ILE  19          HD11      ILE  19  -4.098   5.508  -9.897
  156   HD12  ILE  19          HD12      ILE  19  -4.848   4.371  -8.751
  157   HD13  ILE  19          HD13      ILE  19  -5.188   4.230 -10.501
  158    H    VAL  20           H        VAL  20 -10.068   7.314  -9.414
  159    HA   VAL  20           HA       VAL  20 -10.896   4.666  -9.451
  160    HB   VAL  20           HB       VAL  20 -11.642   6.586  -8.001
  161   HG11  VAL  20          HG11      VAL  20 -12.418   8.145  -9.788
  162   HG12  VAL  20          HG12      VAL  20 -13.797   7.068 -10.081
  163   HG13  VAL  20          HG13      VAL  20 -13.605   7.862  -8.508
  164   HG21  VAL  20          HG21      VAL  20 -12.602   4.336  -7.804
  165   HG22  VAL  20          HG22      VAL  20 -13.794   5.595  -7.440
  166   HG23  VAL  20          HG23      VAL  20 -13.845   4.753  -9.004
  167    H    ASP  21           H        ASP  21 -11.524   7.150 -11.909
  168    HA   ASP  21           HA       ASP  21 -13.442   5.491 -13.376
  169    HB2  ASP  21           HB2      ASP  21 -13.658   7.951 -13.168
  170    HB3  ASP  21           HB3      ASP  21 -12.125   8.158 -14.017
  171    H    ALA  22           H        ALA  22 -10.045   5.549 -13.191
  172    HA   ALA  22           HA       ALA  22  -9.485   5.330 -16.057
  173    HB1  ALA  22           HB1      ALA  22  -7.970   6.549 -14.473
  174    HB2  ALA  22           HB2      ALA  22  -7.633   4.997 -13.661
  175    HB3  ALA  22           HB3      ALA  22  -7.172   5.236 -15.350
  176    H    GLU  23           H        GLU  23  -7.905   3.503 -16.678
  177    HA   GLU  23           HA       GLU  23  -8.564   0.882 -15.449
  178    HB2  GLU  23           HB2      GLU  23  -8.938   1.575 -18.398
  179    HB3  GLU  23           HB3      GLU  23  -8.920  -0.064 -17.736
  180    HG2  GLU  23           HG2      GLU  23 -10.879   0.528 -16.289
  181    HG3  GLU  23           HG3      GLU  23 -10.949   2.110 -17.075
  182    H    ASP  24           H        ASP  24  -6.623   2.672 -17.942
  183    HA   ASP  24           HA       ASP  24  -4.309   0.878 -17.382
  184    HB2  ASP  24           HB2      ASP  24  -5.648   0.325 -19.496
  185    HB3  ASP  24           HB3      ASP  24  -5.111   1.900 -20.105
  186    H    LYS  25           H        LYS  25  -2.338   1.904 -18.514
  187    HA   LYS  25           HA       LYS  25  -1.586   3.999 -16.905
  188    HB2  LYS  25           HB2      LYS  25   0.413   4.225 -18.272
  189    HB3  LYS  25           HB3      LYS  25  -0.011   2.547 -17.935
  190    HG2  LYS  25           HG2      LYS  25  -0.987   2.413 -20.286
  191    HG3  LYS  25           HG3      LYS  25  -0.402   4.059 -20.558
  192    HD2  LYS  25           HD2      LYS  25   1.165   2.523 -21.520
  193    HD3  LYS  25           HD3      LYS  25   1.927   3.301 -20.123
  194    HE2  LYS  25           HE2      LYS  25   1.451   1.294 -18.741
  195    HE3  LYS  25           HE3      LYS  25   0.619   0.537 -20.104
  196    HZ1  LYS  25           HZ1      LYS  25   2.886  -0.264 -19.893
  197    HZ2  LYS  25           HZ2      LYS  25   2.729   0.530 -21.304
  198    HZ3  LYS  25           HZ3      LYS  25   3.501   1.237 -20.048
  199    H    GLU  26           H        GLU  26  -2.905   4.432 -20.204
  200    HA   GLU  26           HA       GLU  26  -2.225   7.258 -20.298
  201    HB2  GLU  26           HB2      GLU  26  -4.192   5.551 -21.889
  202    HB3  GLU  26           HB3      GLU  26  -3.902   7.269 -22.197
  203    HG2  GLU  26           HG2      GLU  26  -1.505   6.812 -22.612
  204    HG3  GLU  26           HG3      GLU  26  -1.771   5.092 -22.320
  205    H    GLU  27           H        GLU  27  -5.124   5.354 -19.366
  206    HA   GLU  27           HA       GLU  27  -6.798   7.670 -18.923
  207    HB2  GLU  27           HB2      GLU  27  -7.065   4.841 -17.821
  208    HB3  GLU  27           HB3      GLU  27  -8.327   6.067 -17.901
  209    HG2  GLU  27           HG2      GLU  27  -6.997   4.638 -20.239
  210    HG3  GLU  27           HG3      GLU  27  -8.636   4.403 -19.649
  211    H    ARG  28           H        ARG  28  -4.600   5.678 -16.923
  212    HA   ARG  28           HA       ARG  28  -5.387   6.868 -14.406
  213    HB2  ARG  28           HB2      ARG  28  -2.897   5.351 -15.295
  214    HB3  ARG  28           HB3      ARG  28  -3.197   5.841 -13.620
  215    HG2  ARG  28           HG2      ARG  28  -5.155   4.447 -13.448
  216    HG3  ARG  28           HG3      ARG  28  -5.177   4.131 -15.185
  217    HD2  ARG  28           HD2      ARG  28  -2.986   2.960 -14.982
  218    HD3  ARG  28           HD3      ARG  28  -3.090   3.125 -13.225
  219    HE   ARG  28           HE       ARG  28  -4.817   1.491 -15.032
  220   HH11  ARG  28          HH11      ARG  28  -3.983   2.291 -11.664
  221   HH12  ARG  28          HH12      ARG  28  -4.894   0.983 -11.006
  222   HH21  ARG  28          HH21      ARG  28  -5.974  -0.186 -14.197
  223   HH22  ARG  28          HH22      ARG  28  -6.043  -0.496 -12.487
  224    H    ALA  29           H        ALA  29  -2.755   7.610 -16.764
  225    HA   ALA  29           HA       ALA  29  -1.678   9.810 -15.315
  226    HB1  ALA  29           HB1      ALA  29  -0.557   8.763 -17.249
  227    HB2  ALA  29           HB2      ALA  29  -1.858   9.323 -18.322
  228    HB3  ALA  29           HB3      ALA  29  -0.800  10.502 -17.517
  229    H    MET  30           H        MET  30  -4.435   9.587 -17.661
  230    HA   MET  30           HA       MET  30  -5.000  12.396 -17.554
  231    HB2  MET  30           HB2      MET  30  -6.659   9.992 -18.368
  232    HB3  MET  30           HB3      MET  30  -7.275  11.644 -18.425
  233    HG2  MET  30           HG2      MET  30  -4.793  10.669 -19.896
  234    HG3  MET  30           HG3      MET  30  -6.389  10.901 -20.597
  235    HE1  MET  30           HE1      MET  30  -2.941  12.686 -20.552
  236    HE2  MET  30           HE2      MET  30  -3.278  14.162 -19.642
  237    HE3  MET  30           HE3      MET  30  -3.338  12.584 -18.830
  238    H    GLY  31           H        GLY  31  -6.166   9.687 -15.512
  239    HA2  GLY  31           HA2      GLY  31  -8.056  11.113 -13.989
  240    HA3  GLY  31           HA3      GLY  31  -7.050   9.767 -13.411
  241    H    TRP  32           H        TRP  32  -4.516  10.653 -13.357
  242    HA   TRP  32           HA       TRP  32  -4.296  12.478 -11.204
  243    HB2  TRP  32           HB2      TRP  32  -2.359  11.460 -13.299
  244    HB3  TRP  32           HB3      TRP  32  -1.895  12.721 -12.171
  245    HD1  TRP  32           HD1      TRP  32  -2.249   9.005 -12.355
  246    HE1  TRP  32           HE1      TRP  32  -1.453   7.963 -10.156
  247    HE3  TRP  32           HE3      TRP  32  -2.028  13.252  -9.523
  248    HZ2  TRP  32           HZ2      TRP  32  -0.917   8.879  -7.434
  249    HZ3  TRP  32           HZ3      TRP  32  -1.322  13.148  -7.146
  250    HH2  TRP  32           HH2      TRP  32  -0.749  10.964  -6.107
  251    H    TYR  33           H        TYR  33  -3.965  13.070 -14.751
  252    HA   TYR  33           HA       TYR  33  -3.147  15.731 -14.547
  253    HB2  TYR  33           HB2      TYR  33  -3.037  14.455 -16.647
  254    HB3  TYR  33           HB3      TYR  33  -4.791  14.377 -16.716
  255    HD1  TYR  33           HD2      TYR  33  -1.872  16.642 -17.050
  256    HD2  TYR  33           HD1      TYR  33  -6.142  16.246 -17.419
  257    HE1  TYR  33           HE2      TYR  33  -1.961  18.788 -18.265
  258    HE2  TYR  33           HE1      TYR  33  -6.271  18.449 -18.516
  259    HH   TYR  33           HH       TYR  33  -3.279  20.293 -19.375
  260    H    TYR  34           H        TYR  34  -6.573  14.521 -14.948
  261    HA   TYR  34           HA       TYR  34  -7.476  17.250 -15.089
  262    HB2  TYR  34           HB2      TYR  34  -8.954  14.612 -14.918
  263    HB3  TYR  34           HB3      TYR  34  -9.767  16.170 -15.001
  264    HD1  TYR  34           HD2      TYR  34  -8.841  17.824 -16.948
  265    HD2  TYR  34           HD1      TYR  34  -8.582  13.515 -16.997
  266    HE1  TYR  34           HE2      TYR  34  -8.720  17.869 -19.408
  267    HE2  TYR  34           HE1      TYR  34  -8.420  13.556 -19.471
  268    HH   TYR  34           HH       TYR  34  -8.550  16.612 -21.360
  269    H    TYR  35           H        TYR  35  -7.281  14.900 -12.367
  270    HA   TYR  35           HA       TYR  35  -8.863  16.622 -10.636
  271    HB2  TYR  35           HB2      TYR  35  -7.045  14.261 -10.177
  272    HB3  TYR  35           HB3      TYR  35  -7.504  15.288  -8.824
  273    HD1  TYR  35           HD2      TYR  35  -9.873  15.635  -8.189
  274    HD2  TYR  35           HD1      TYR  35  -8.736  12.820 -11.233
  275    HE1  TYR  35           HE2      TYR  35 -12.129  14.613  -8.066
  276    HE2  TYR  35           HE1      TYR  35 -10.977  11.761 -11.113
  277    HH   TYR  35           HH       TYR  35 -13.552  12.964  -8.903
  278    H    LEU  36           H        LEU  36  -5.355  16.369 -11.381
  279    HA   LEU  36           HA       LEU  36  -4.590  18.391  -9.476
  280    HB2  LEU  36           HB2      LEU  36  -3.296  17.040 -11.826
  281    HB3  LEU  36           HB3      LEU  36  -2.673  18.600 -11.360
  282    HG   LEU  36           HG       LEU  36  -2.115  17.920  -9.159
  283   HD11  LEU  36          HD11      LEU  36  -2.399  15.603  -8.304
  284   HD12  LEU  36          HD12      LEU  36  -3.941  16.433  -8.505
  285   HD13  LEU  36          HD13      LEU  36  -3.430  15.227  -9.702
  286   HD21  LEU  36          HD21      LEU  36  -0.589  17.297 -11.041
  287   HD22  LEU  36          HD22      LEU  36  -0.416  16.243  -9.629
  288   HD23  LEU  36          HD23      LEU  36  -1.314  15.675 -11.055
  289    H    ASP  37           H        ASP  37  -5.520  18.559 -12.972
  290    HA   ASP  37           HA       ASP  37  -5.198  21.335 -13.258
  291    HB2  ASP  37           HB2      ASP  37  -5.592  19.866 -15.155
  292    HB3  ASP  37           HB3      ASP  37  -7.173  19.407 -14.526
  293    H    ASP  38           H        ASP  38  -7.867  19.517 -11.769
  294    HA   ASP  38           HA       ASP  38  -9.548  21.878 -11.447
  295    HB2  ASP  38           HB2      ASP  38 -10.492  19.616 -11.691
  296    HB3  ASP  38           HB3      ASP  38  -9.691  19.104 -10.206
  297    H    THR  39           H        THR  39  -6.880  20.493  -9.658
  298    HA   THR  39           HA       THR  39  -7.843  21.652  -7.085
  299    HB   THR  39           HB       THR  39  -5.595  19.722  -7.780
  300    HG1  THR  39           HG1      THR  39  -7.482  18.736  -8.043
  301   HG21  THR  39          HG21      THR  39  -6.555  20.804  -5.116
  302   HG22  THR  39          HG22      THR  39  -5.673  19.266  -5.260
  303   HG23  THR  39          HG23      THR  39  -4.912  20.785  -5.766
  304    H    LEU  40           H        LEU  40  -5.000  21.823  -9.281
  305    HA   LEU  40           HA       LEU  40  -3.383  23.286  -7.420
  306    HB2  LEU  40           HB2      LEU  40  -3.205  22.929 -10.428
  307    HB3  LEU  40           HB3      LEU  40  -1.925  23.637  -9.451
  308    HG   LEU  40           HG       LEU  40  -2.936  20.800  -8.994
  309   HD11  LEU  40          HD11      LEU  40  -0.613  21.746 -10.753
  310   HD12  LEU  40          HD12      LEU  40  -1.002  20.054 -10.380
  311   HD13  LEU  40          HD13      LEU  40  -2.130  21.030 -11.334
  312   HD21  LEU  40          HD21      LEU  40  -0.312  22.089  -8.225
  313   HD22  LEU  40          HD22      LEU  40  -1.647  21.607  -7.139
  314   HD23  LEU  40          HD23      LEU  40  -0.754  20.380  -8.023
  315    H    GLU  41           H        GLU  41  -3.409  25.413  -6.952
  316    HA   GLU  41           HA       GLU  41  -5.228  27.222  -8.322
  317    HB2  GLU  41           HB2      GLU  41  -3.376  27.527  -5.918
  318    HB3  GLU  41           HB3      GLU  41  -4.464  28.791  -6.481
  319    HG2  GLU  41           HG2      GLU  41  -5.440  26.047  -5.593
  320    HG3  GLU  41           HG3      GLU  41  -5.312  27.448  -4.544
  321    H    PHE  42           H        PHE  42  -3.370  26.498 -10.214
  322    HA   PHE  42           HA       PHE  42  -1.194  28.398 -10.392
  323    HB2  PHE  42           HB2      PHE  42  -1.178  27.712 -12.826
  324    HB3  PHE  42           HB3      PHE  42  -0.866  26.471 -11.637
  325    HD1  PHE  42           HD1      PHE  42  -3.722  27.902 -13.676
  326    HD2  PHE  42           HD2      PHE  42  -1.933  24.415 -11.867
  327    HE1  PHE  42           HE1      PHE  42  -5.472  26.472 -14.688
  328    HE2  PHE  42           HE2      PHE  42  -3.696  22.995 -12.874
  329    HZ   PHE  42           HZ       PHE  42  -5.474  24.021 -14.275
  330    HA   PRO  43           HA       PRO  43  -0.260  29.663 -12.465
  331    HB2  PRO  43           HB2      PRO  43   0.410  32.314 -12.502
  332    HB3  PRO  43           HB3      PRO  43  -0.416  31.497 -13.862
  333    HG2  PRO  43           HG2      PRO  43  -1.680  33.163 -11.675
  334    HG3  PRO  43           HG3      PRO  43  -1.940  33.268 -13.446
  335    HD2  PRO  43           HD2      PRO  43  -3.632  31.878 -11.824
  336    HD3  PRO  43           HD3      PRO  43  -3.235  31.292 -13.466
  337    H    PHE  44           H        PHE  44   1.563  29.685 -11.072
  338    HA   PHE  44           HA       PHE  44   1.400  31.104  -8.519
  339    HB2  PHE  44           HB2      PHE  44   1.721  29.182  -7.109
  340    HB3  PHE  44           HB3      PHE  44   0.190  29.066  -7.942
  341    HD1  PHE  44           HD1      PHE  44   3.742  27.838  -8.173
  342    HD2  PHE  44           HD2      PHE  44  -0.405  26.950  -8.840
  343    HE1  PHE  44           HE1      PHE  44   4.355  25.531  -8.710
  344    HE2  PHE  44           HE2      PHE  44   0.203  24.621  -9.431
  345    HZ   PHE  44           HZ       PHE  44   2.580  23.893  -9.373
  346    H    MET  45           H        MET  45   3.552  30.801  -7.299
  347    HA   MET  45           HA       MET  45   5.715  30.870  -9.334
  348    HB2  MET  45           HB2      MET  45   5.399  32.767  -7.727
  349    HB3  MET  45           HB3      MET  45   5.614  31.645  -6.374
  350    HG2  MET  45           HG2      MET  45   7.920  31.146  -7.220
  351    HG3  MET  45           HG3      MET  45   7.687  32.368  -8.477
  352    HE1  MET  45           HE1      MET  45  10.037  32.111  -6.479
  353    HE2  MET  45           HE2      MET  45   9.960  33.454  -7.639
  354    HE3  MET  45           HE3      MET  45  10.315  33.785  -5.925
  355    H    GLY  46           H        GLY  46   7.573  29.433  -9.179
  356    HA2  GLY  46           HA2      GLY  46   7.751  27.654  -6.872
  357    HA3  GLY  46           HA3      GLY  46   7.341  26.841  -8.387
  358    H    LYS  47           H        LYS  47   9.561  26.063  -7.221
  359    HA   LYS  47           HA       LYS  47  11.773  27.328  -8.774
  360    HB2  LYS  47           HB2      LYS  47  12.044  26.744  -6.209
  361    HB3  LYS  47           HB3      LYS  47  12.082  25.073  -6.744
  362    HG2  LYS  47           HG2      LYS  47  14.352  25.650  -6.674
  363    HG3  LYS  47           HG3      LYS  47  13.969  25.824  -8.379
  364    HD2  LYS  47           HD2      LYS  47  15.204  27.793  -7.902
  365    HD3  LYS  47           HD3      LYS  47  13.539  28.333  -7.852
  366    HE2  LYS  47           HE2      LYS  47  14.472  29.333  -5.970
  367    HE3  LYS  47           HE3      LYS  47  13.610  27.942  -5.308
  368    HZ1  LYS  47           HZ1      LYS  47  16.528  28.172  -5.758
  369    HZ2  LYS  47           HZ2      LYS  47  15.768  28.070  -4.326
  370    HZ3  LYS  47           HZ3      LYS  47  15.827  26.761  -5.310
  371    H    TRP  48           H        TRP  48  12.310  26.324 -10.634
  372    HA   TRP  48           HA       TRP  48  11.225  23.642 -11.283
  373    HB2  TRP  48           HB2      TRP  48  11.154  25.450 -13.001
  374    HB3  TRP  48           HB3      TRP  48  12.900  25.601 -12.921
  375    HD1  TRP  48           HD1      TRP  48  12.097  22.016 -12.809
  376    HE1  TRP  48           HE1      TRP  48  12.330  20.894 -15.068
  377    HE3  TRP  48           HE3      TRP  48  12.299  26.207 -15.735
  378    HZ2  TRP  48           HZ2      TRP  48  12.512  21.707 -17.857
  379    HZ3  TRP  48           HZ3      TRP  48  12.444  26.000 -18.203
  380    HH2  TRP  48           HH2      TRP  48  12.549  23.758 -19.271
  381    H    LYS  49           H        LYS  49  12.388  22.136 -10.189
  382    HA   LYS  49           HA       LYS  49  15.267  22.370  -9.649
  383    HB2  LYS  49           HB2      LYS  49  13.075  20.406  -8.830
  384    HB3  LYS  49           HB3      LYS  49  14.761  20.268  -8.334
  385    HG2  LYS  49           HG2      LYS  49  14.653  22.351  -7.077
  386    HG3  LYS  49           HG3      LYS  49  13.051  22.718  -7.724
  387    HD2  LYS  49           HD2      LYS  49  12.683  21.945  -5.558
  388    HD3  LYS  49           HD3      LYS  49  12.189  20.626  -6.637
  389    HE2  LYS  49           HE2      LYS  49  14.400  19.511  -6.180
  390    HE3  LYS  49           HE3      LYS  49  14.783  20.829  -5.057
  391    HZ1  LYS  49           HZ1      LYS  49  12.682  20.182  -3.852
  392    HZ2  LYS  49           HZ2      LYS  49  12.618  18.837  -4.778
  393    HZ3  LYS  49           HZ3      LYS  49  13.889  19.062  -3.783
  394    H    LYS  50           H        LYS  50  15.322  22.411 -12.123
  395    HA   LYS  50           HA       LYS  50  14.418  20.280 -13.760
  396    HB2  LYS  50           HB2      LYS  50  15.109  22.593 -14.486
  397    HB3  LYS  50           HB3      LYS  50  16.799  22.131 -14.240
  398    HG2  LYS  50           HG2      LYS  50  16.568  20.349 -15.940
  399    HG3  LYS  50           HG3      LYS  50  14.848  20.735 -16.134
  400    HD2  LYS  50           HD2      LYS  50  15.469  23.036 -16.886
  401    HD3  LYS  50           HD3      LYS  50  17.187  22.598 -16.747
  402    HE2  LYS  50           HE2      LYS  50  16.838  20.768 -18.406
  403    HE3  LYS  50           HE3      LYS  50  15.135  21.218 -18.543
  404    HZ1  LYS  50           HZ1      LYS  50  17.422  22.954 -19.288
  405    HZ2  LYS  50           HZ2      LYS  50  16.447  22.169 -20.328
  406    HZ3  LYS  50           HZ3      LYS  50  15.844  23.373 -19.413
  407    H    LYS  51           H        LYS  51  15.008  18.156 -13.601
  408    HA   LYS  51           HA       LYS  51  17.487  17.450 -12.289
  409    HB2  LYS  51           HB2      LYS  51  15.194  16.449 -11.918
  410    HB3  LYS  51           HB3      LYS  51  15.347  15.637 -13.478
  411    HG2  LYS  51           HG2      LYS  51  17.275  14.366 -12.669
  412    HG3  LYS  51           HG3      LYS  51  17.346  15.328 -11.183
  413    HD2  LYS  51           HD2      LYS  51  15.111  14.443 -10.528
  414    HD3  LYS  51           HD3      LYS  51  15.075  13.468 -12.015
  415    HE2  LYS  51           HE2      LYS  51  17.153  12.304 -11.292
  416    HE3  LYS  51           HE3      LYS  51  17.194  13.277  -9.821
  417    HZ1  LYS  51           HZ1      LYS  51  15.085  12.259  -9.167
  418    HZ2  LYS  51           HZ2      LYS  51  15.046  11.358 -10.532
  419    HZ3  LYS  51           HZ3      LYS  51  16.210  11.111  -9.420
  420    H    SER  52           H        SER  52  18.441  18.732 -14.374
  421    HA   SER  52           HA       SER  52  19.397  16.653 -16.276
  422    HB2  SER  52           HB2      SER  52  18.350  19.345 -17.203
  423    HB3  SER  52           HB3      SER  52  18.816  17.952 -18.190
  424    HG   SER  52           HG       SER  52  16.585  18.020 -18.045
  425    H    ARG  53           H        ARG  53  20.635  18.361 -13.977
  426    HA   ARG  53           HA       ARG  53  22.218  20.408 -15.087
  427    HB2  ARG  53           HB2      ARG  53  21.819  19.998 -12.660
  428    HB3  ARG  53           HB3      ARG  53  22.903  18.624 -12.707
  429    HG2  ARG  53           HG2      ARG  53  24.818  19.935 -13.078
  430    HG3  ARG  53           HG3      ARG  53  23.895  21.327 -13.658
  431    HD2  ARG  53           HD2      ARG  53  23.134  21.885 -11.452
  432    HD3  ARG  53           HD3      ARG  53  23.660  20.326 -10.808
  433    HE   ARG  53           HE       ARG  53  25.746  21.104 -10.508
  434   HH11  ARG  53          HH11      ARG  53  24.200  23.428 -12.801
  435   HH12  ARG  53          HH12      ARG  53  25.505  24.543 -12.663
  436   HH21  ARG  53          HH21      ARG  53  27.433  22.621 -10.411
  437   HH22  ARG  53          HH22      ARG  53  27.363  24.083 -11.315
  438    H    LYS  54           H        LYS  54  22.974  16.929 -14.782
  439    HA   LYS  54           HA       LYS  54  25.058  17.293 -16.896
  440    HB2  LYS  54           HB2      LYS  54  25.333  15.498 -14.439
  441    HB3  LYS  54           HB3      LYS  54  26.421  15.536 -15.826
  442    HG2  LYS  54           HG2      LYS  54  26.956  17.925 -15.339
  443    HG3  LYS  54           HG3      LYS  54  25.919  17.847 -13.900
  444    HD2  LYS  54           HD2      LYS  54  27.337  16.042 -12.965
  445    HD3  LYS  54           HD3      LYS  54  28.382  16.121 -14.402
  446    HE2  LYS  54           HE2      LYS  54  28.894  18.502 -13.889
  447    HE3  LYS  54           HE3      LYS  54  27.866  18.414 -12.452
  448    HZ1  LYS  54           HZ1      LYS  54  29.379  16.736 -11.557
  449    HZ2  LYS  54           HZ2      LYS  54  30.328  16.821 -12.886
  450    HZ3  LYS  54           HZ3      LYS  54  30.192  18.105 -11.896
  451    H    THR  55           H        THR  55  23.117  14.843 -15.079
  452    HA   THR  55           HA       THR  55  22.311  13.624 -17.682
  453    HB   THR  55           HB       THR  55  22.697  11.397 -16.441
  454    HG1  THR  55           HG1      THR  55  24.194  11.463 -14.773
  455   HG21  THR  55          HG21      THR  55  24.183  12.218 -18.291
  456   HG22  THR  55          HG22      THR  55  25.228  12.983 -17.072
  457   HG23  THR  55          HG23      THR  55  25.022  11.221 -17.094
  458    H    SER  56           H        SER  56  21.931  13.189 -14.161
  459    HA   SER  56           HA       SER  56  18.975  13.468 -14.333
  460    HB2  SER  56           HB2      SER  56  20.478  11.169 -12.999
  461    HB3  SER  56           HB3      SER  56  18.721  11.372 -13.098
  462    HG   SER  56           HG       SER  56  19.532   9.900 -14.659
  463    H    THR  57           H        THR  57  20.943  15.343 -13.413
  464    HA   THR  57           HA       THR  57  20.853  15.209 -10.454
  465    HB   THR  57           HB       THR  57  22.953  16.739 -10.910
  466    HG1  THR  57           HG1      THR  57  23.964  16.243 -12.847
  467   HG21  THR  57          HG21      THR  57  23.017  13.763 -11.598
  468   HG22  THR  57          HG22      THR  57  24.394  14.751 -11.066
  469   HG23  THR  57          HG23      THR  57  23.050  14.444  -9.955
  470    H    ILE  58           H        ILE  58  20.397  17.160  -9.302
  471    HA   ILE  58           HA       ILE  58  18.359  18.698 -10.699
  472    HB   ILE  58           HB       ILE  58  19.339  18.809  -7.828
  473   HG12  ILE  58          HG12      ILE  58  18.367  16.588  -8.407
  474   HG13  ILE  58          HG13      ILE  58  17.473  17.456  -7.180
  475   HG21  ILE  58          HG21      ILE  58  17.054  19.863  -7.376
  476   HG22  ILE  58          HG22      ILE  58  18.211  20.882  -8.232
  477   HG23  ILE  58          HG23      ILE  58  16.909  20.088  -9.132
  478   HD11  ILE  58          HD11      ILE  58  16.631  17.378 -10.104
  479   HD12  ILE  58          HD12      ILE  58  16.030  16.281  -8.846
  480   HD13  ILE  58          HD13      ILE  58  15.695  18.014  -8.738
  481    H    GLU  59           H        GLU  59  18.342  20.798 -11.179
  482    HA   GLU  59           HA       GLU  59  20.449  22.650 -10.290
  483    HB2  GLU  59           HB2      GLU  59  21.034  21.957 -12.609
  484    HB3  GLU  59           HB3      GLU  59  19.422  22.402 -13.172
  485    HG2  GLU  59           HG2      GLU  59  19.846  24.737 -12.739
  486    HG3  GLU  59           HG3      GLU  59  21.285  24.368 -11.780
  487    H    GLU  60           H        GLU  60  19.426  24.839 -10.109
  488    HA   GLU  60           HA       GLU  60  16.453  24.591  -9.865
  489    HB2  GLU  60           HB2      GLU  60  18.522  25.825  -8.014
  490    HB3  GLU  60           HB3      GLU  60  16.785  26.125  -7.899
  491    HG2  GLU  60           HG2      GLU  60  16.368  23.707  -7.623
  492    HG3  GLU  60           HG3      GLU  60  18.105  23.392  -7.700
  493    H    LYS  61           H        LYS  61  15.300  26.041 -10.985
  494    HA   LYS  61           HA       LYS  61  16.441  28.804 -11.273
  495    HB2  LYS  61           HB2      LYS  61  14.785  27.234 -13.310
  496    HB3  LYS  61           HB3      LYS  61  15.107  28.971 -13.372
  497    HG2  LYS  61           HG2      LYS  61  17.622  28.327 -13.274
  498    HG3  LYS  61           HG3      LYS  61  17.091  26.693 -13.711
  499    HD2  LYS  61           HD2      LYS  61  16.487  29.259 -15.235
  500    HD3  LYS  61           HD3      LYS  61  17.769  28.113 -15.663
  501    HE2  LYS  61           HE2      LYS  61  16.062  26.366 -16.105
  502    HE3  LYS  61           HE3      LYS  61  14.783  27.496 -15.626
  503    HZ1  LYS  61           HZ1      LYS  61  16.599  27.842 -17.937
  504    HZ2  LYS  61           HZ2      LYS  61  15.000  27.513 -18.007
  505    HZ3  LYS  61           HZ3      LYS  61  15.520  28.968 -17.427
  506    H    THR  62           H        THR  62  14.949  30.444 -10.858
  507    HA   THR  62           HA       THR  62  12.518  29.584  -9.430
  508    HB   THR  62           HB       THR  62  13.684  32.373  -9.781
  509    HG1  THR  62           HG1      THR  62  14.886  31.972  -7.976
  510   HG21  THR  62          HG21      THR  62  11.969  31.096  -7.595
  511   HG22  THR  62          HG22      THR  62  12.513  32.792  -7.656
  512   HG23  THR  62          HG23      THR  62  11.370  32.180  -8.867
  513    H    VAL  63           H        VAL  63  10.494  29.691 -10.375
  514    HA   VAL  63           HA       VAL  63  10.242  31.104 -12.954
  515    HB   VAL  63           HB       VAL  63   9.323  29.187 -14.043
  516   HG11  VAL  63          HG11      VAL  63  11.272  27.835 -14.377
  517   HG12  VAL  63          HG12      VAL  63  11.873  29.459 -14.027
  518   HG13  VAL  63          HG13      VAL  63  11.926  28.218 -12.777
  519   HG21  VAL  63          HG21      VAL  63   8.291  28.007 -12.116
  520   HG22  VAL  63          HG22      VAL  63   9.292  26.943 -13.104
  521   HG23  VAL  63          HG23      VAL  63   9.905  27.536 -11.545
  522    H    GLU  64           H        GLU  64   8.035  31.366 -13.612
  523    HA   GLU  64           HA       GLU  64   5.995  31.186 -11.424
  524    HB2  GLU  64           HB2      GLU  64   6.472  33.523 -12.161
  525    HB3  GLU  64           HB3      GLU  64   6.108  33.072 -13.824
  526    HG2  GLU  64           HG2      GLU  64   3.785  32.526 -13.204
  527    HG3  GLU  64           HG3      GLU  64   4.151  32.788 -11.498
  528    H    VAL  65           H        VAL  65   4.536  29.557 -11.830
  529    HA   VAL  65           HA       VAL  65   4.554  28.284 -14.487
  530    HB   VAL  65           HB       VAL  65   3.513  26.477 -13.654
  531   HG11  VAL  65          HG11      VAL  65   4.668  25.707 -11.689
  532   HG12  VAL  65          HG12      VAL  65   5.771  26.771 -12.575
  533   HG13  VAL  65          HG13      VAL  65   4.942  27.363 -11.120
  534   HG21  VAL  65          HG21      VAL  65   1.512  27.376 -12.679
  535   HG22  VAL  65          HG22      VAL  65   2.251  26.186 -11.616
  536   HG23  VAL  65          HG23      VAL  65   2.427  27.908 -11.242
  537    H    LEU  66           H        LEU  66   2.926  28.534 -15.965
  538    HA   LEU  66           HA       LEU  66   0.944  30.654 -15.343
  539    HB2  LEU  66           HB2      LEU  66   1.597  29.297 -17.987
  540    HB3  LEU  66           HB3      LEU  66   0.520  30.654 -17.743
  541    HG   LEU  66           HG       LEU  66   2.419  31.624 -18.604
  542   HD11  LEU  66          HD11      LEU  66   2.877  31.969 -15.608
  543   HD12  LEU  66          HD12      LEU  66   3.350  33.079 -16.905
  544   HD13  LEU  66          HD13      LEU  66   1.633  32.819 -16.558
  545   HD21  LEU  66          HD21      LEU  66   4.692  31.219 -18.029
  546   HD22  LEU  66          HD22      LEU  66   4.258  30.201 -16.654
  547   HD23  LEU  66          HD23      LEU  66   3.929  29.650 -18.314
  548    H    GLY  67           H        GLY  67   1.053  27.161 -15.775
  549    HA2  GLY  67           HA2      GLY  67  -1.424  26.470 -14.894
  550    HA3  GLY  67           HA3      GLY  67  -1.674  26.827 -16.614
  551    H    MET  68           H        MET  68  -2.072  24.279 -15.840
  552    HA   MET  68           HA       MET  68   0.257  22.589 -16.266
  553    HB2  MET  68           HB2      MET  68  -2.720  22.020 -16.430
  554    HB3  MET  68           HB3      MET  68  -1.456  20.819 -16.751
  555    HG2  MET  68           HG2      MET  68  -0.485  21.239 -14.492
  556    HG3  MET  68           HG3      MET  68  -1.788  22.376 -14.163
  557    HE1  MET  68           HE1      MET  68  -0.620  18.683 -14.096
  558    HE2  MET  68           HE2      MET  68  -2.129  17.775 -14.361
  559    HE3  MET  68           HE3      MET  68  -1.424  18.736 -15.681
  560    H    ALA  69           H        ALA  69   0.779  21.448 -18.136
  561    HA   ALA  69           HA       ALA  69   0.512  22.871 -20.655
  562    HB1  ALA  69           HB1      ALA  69   1.876  21.036 -21.517
  563    HB2  ALA  69           HB2      ALA  69   2.517  21.494 -19.934
  564    HB3  ALA  69           HB3      ALA  69   1.488  20.044 -20.107
  565    HA   PRO  70           HA       PRO  70  -3.089  20.796 -22.383
  566    HB2  PRO  70           HB2      PRO  70  -1.271  19.668 -24.521
  567    HB3  PRO  70           HB3      PRO  70  -2.879  20.438 -24.702
  568    HG2  PRO  70           HG2      PRO  70  -0.631  21.851 -25.242
  569    HG3  PRO  70           HG3      PRO  70  -1.957  22.614 -24.302
  570    HD2  PRO  70           HD2      PRO  70   0.602  21.372 -23.279
  571    HD3  PRO  70           HD3      PRO  70  -0.171  22.914 -22.796
  572    H    ASP  71           H        ASP  71  -4.113  18.800 -22.269
  573    HA   ASP  71           HA       ASP  71  -2.973  16.691 -20.790
  574    HB2  ASP  71           HB2      ASP  71  -4.948  15.492 -21.190
  575    HB3  ASP  71           HB3      ASP  71  -5.439  17.176 -21.075
  576    H    ASP  72           H        ASP  72  -2.932  17.347 -24.222
  577    HA   ASP  72           HA       ASP  72  -2.626  14.805 -25.326
  578    HB2  ASP  72           HB2      ASP  72  -3.111  16.846 -26.603
  579    HB3  ASP  72           HB3      ASP  72  -1.503  17.479 -26.244
  580    H    GLU  73           H        GLU  73  -0.245  16.670 -23.552
  581    HA   GLU  73           HA       GLU  73   1.843  14.663 -24.293
  582    HB2  GLU  73           HB2      GLU  73   3.529  16.305 -23.857
  583    HB3  GLU  73           HB3      GLU  73   2.410  16.886 -25.084
  584    HG2  GLU  73           HG2      GLU  73   1.286  18.315 -23.387
  585    HG3  GLU  73           HG3      GLU  73   2.412  17.741 -22.152
  586    H    CYS  74           H        CYS  74  -0.313  15.415 -21.850
  587    HA   CYS  74           HA       CYS  74   1.581  14.814 -19.666
  588    HB2  CYS  74           HB2      CYS  74  -1.328  15.683 -19.583
  589    HB3  CYS  74           HB3      CYS  74  -0.295  15.360 -18.179
  590    HG   CYS  74           HG       CYS  74  -0.016  17.647 -20.548
  591    H    LEU  75           H        LEU  75   0.765  12.774 -21.694
  592    HA   LEU  75           HA       LEU  75  -1.052  10.957 -20.279
  593    HB2  LEU  75           HB2      LEU  75   0.432  10.831 -22.932
  594    HB3  LEU  75           HB3      LEU  75  -0.534   9.486 -22.337
  595    HG   LEU  75           HG       LEU  75  -1.719  12.264 -22.650
  596   HD11  LEU  75          HD11      LEU  75  -2.630  11.551 -24.809
  597   HD12  LEU  75          HD12      LEU  75  -0.863  11.575 -24.841
  598   HD13  LEU  75          HD13      LEU  75  -1.719  10.023 -24.708
  599   HD21  LEU  75          HD21      LEU  75  -2.946  10.535 -21.233
  600   HD22  LEU  75          HD22      LEU  75  -3.848  11.141 -22.623
  601   HD23  LEU  75          HD23      LEU  75  -3.078   9.534 -22.683
  602    H    LYS  76           H        LYS  76   2.219  11.599 -19.934
  603    HA   LYS  76           HA       LYS  76   2.733   8.858 -18.866
  604    HB2  LYS  76           HB2      LYS  76   4.669  10.593 -20.438
  605    HB3  LYS  76           HB3      LYS  76   5.067   9.068 -19.637
  606    HG2  LYS  76           HG2      LYS  76   3.362   7.904 -21.066
  607    HG3  LYS  76           HG3      LYS  76   3.115   9.411 -21.958
  608    HD2  LYS  76           HD2      LYS  76   5.752   7.894 -21.741
  609    HD3  LYS  76           HD3      LYS  76   4.635   7.832 -23.112
  610    HE2  LYS  76           HE2      LYS  76   4.925  10.286 -23.456
  611    HE3  LYS  76           HE3      LYS  76   6.083  10.330 -22.119
  612    HZ1  LYS  76           HZ1      LYS  76   7.202  10.180 -24.247
  613    HZ2  LYS  76           HZ2      LYS  76   7.507   8.829 -23.390
  614    HZ3  LYS  76           HZ3      LYS  76   6.438   8.794 -24.627
  615    H    ASP  77           H        ASP  77   2.996  12.320 -18.388
  616    HA   ASP  77           HA       ASP  77   3.924  12.090 -15.657
  617    HB2  ASP  77           HB2      ASP  77   6.041  11.865 -17.017
  618    HB3  ASP  77           HB3      ASP  77   5.654  13.373 -17.827
  619    H    MET  78           H        MET  78   3.402  14.181 -14.650
  620    HA   MET  78           HA       MET  78   1.494  15.809 -16.193
  621    HB2  MET  78           HB2      MET  78   2.570  15.784 -13.350
  622    HB3  MET  78           HB3      MET  78   1.626  17.147 -13.954
  623    HG2  MET  78           HG2      MET  78   0.272  15.578 -12.736
  624    HG3  MET  78           HG3      MET  78  -0.281  15.767 -14.397
  625    HE1  MET  78           HE1      MET  78  -1.216  13.775 -15.641
  626    HE2  MET  78           HE2      MET  78   0.424  13.791 -16.323
  627    HE3  MET  78           HE3      MET  78  -0.312  12.261 -15.812
  628    H    TYR  79           H        TYR  79   1.826  18.039 -16.831
  629    HA   TYR  79           HA       TYR  79   4.552  19.141 -16.520
  630    HB2  TYR  79           HB2      TYR  79   3.044  18.856 -19.141
  631    HB3  TYR  79           HB3      TYR  79   4.476  19.840 -18.928
  632    HD1  TYR  79           HD2      TYR  79   3.167  16.395 -19.122
  633    HD2  TYR  79           HD1      TYR  79   6.697  18.858 -18.983
  634    HE1  TYR  79           HE2      TYR  79   4.523  14.456 -19.795
  635    HE2  TYR  79           HE1      TYR  79   8.073  16.926 -19.702
  636    HH   TYR  79           HH       TYR  79   6.653  13.645 -20.217
  637    H    VAL  80           H        VAL  80   4.693  21.372 -16.965
  638    HA   VAL  80           HA       VAL  80   2.204  22.963 -16.810
  639    HB   VAL  80           HB       VAL  80   3.430  24.319 -14.993
  640   HG11  VAL  80          HG11      VAL  80   2.296  21.589 -14.271
  641   HG12  VAL  80          HG12      VAL  80   2.525  22.953 -13.152
  642   HG13  VAL  80          HG13      VAL  80   1.398  23.111 -14.494
  643   HG21  VAL  80          HG21      VAL  80   4.866  21.673 -14.465
  644   HG22  VAL  80          HG22      VAL  80   5.633  23.133 -15.122
  645   HG23  VAL  80          HG23      VAL  80   4.942  23.158 -13.494
  646    H    GLU  81           H        GLU  81   2.419  25.007 -17.629
  647    HA   GLU  81           HA       GLU  81   4.785  25.531 -19.333
  648    HB2  GLU  81           HB2      GLU  81   2.144  27.015 -18.934
  649    HB3  GLU  81           HB3      GLU  81   3.464  27.558 -19.984
  650    HG2  GLU  81           HG2      GLU  81   3.281  25.414 -21.272
  651    HG3  GLU  81           HG3      GLU  81   1.886  24.964 -20.289
  652    H    VAL  82           H        VAL  82   6.289  27.124 -18.706
  653    HA   VAL  82           HA       VAL  82   5.823  28.529 -16.144
  654    HB   VAL  82           HB       VAL  82   7.879  27.809 -15.183
  655   HG11  VAL  82          HG11      VAL  82   7.429  25.524 -14.622
  656   HG12  VAL  82          HG12      VAL  82   5.868  26.328 -14.859
  657   HG13  VAL  82          HG13      VAL  82   6.515  25.260 -16.116
  658   HG21  VAL  82          HG21      VAL  82   9.310  26.026 -16.131
  659   HG22  VAL  82          HG22      VAL  82   8.364  26.063 -17.634
  660   HG23  VAL  82          HG23      VAL  82   9.319  27.480 -17.127
  661    H    ALA  83           H        ALA  83   7.134  30.385 -15.841
  662    HA   ALA  83           HA       ALA  83   8.550  31.381 -18.276
  663    HB1  ALA  83           HB1      ALA  83   6.806  32.901 -16.285
  664    HB2  ALA  83           HB2      ALA  83   7.843  33.652 -17.520
  665    HB3  ALA  83           HB3      ALA  83   6.482  32.636 -18.019
  666    H    ASP  84           H        ASP  84  10.595  32.006 -17.870
  667    HA   ASP  84           HA       ASP  84  11.669  31.127 -15.298
  668    HB2  ASP  84           HB2      ASP  84  12.560  30.356 -17.463
  669    HB3  ASP  84           HB3      ASP  84  13.057  32.007 -17.854
  670    H    ILE  85           H        ILE  85  11.135  32.683 -13.845
  671    HA   ILE  85           HA       ILE  85  11.538  35.486 -14.109
  672    HB   ILE  85           HB       ILE  85  11.753  34.001 -11.490
  673   HG12  ILE  85          HG12      ILE  85   9.084  34.770 -12.768
  674   HG13  ILE  85          HG13      ILE  85   9.698  33.130 -12.687
  675   HG21  ILE  85          HG21      ILE  85  12.121  36.512 -11.609
  676   HG22  ILE  85          HG22      ILE  85  10.439  36.662 -12.175
  677   HG23  ILE  85          HG23      ILE  85  10.796  36.035 -10.555
  678   HD11  ILE  85          HD11      ILE  85   8.927  34.870 -10.326
  679   HD12  ILE  85          HD12      ILE  85   8.207  33.349 -10.841
  680   HD13  ILE  85          HD13      ILE  85   9.835  33.345 -10.170
  681    H    GLY  86           H        GLY  86  13.645  32.777 -13.154
  682    HA2  GLY  86           HA2      GLY  86  15.945  34.438 -12.458
  683    HA3  GLY  86           HA3      GLY  86  15.861  32.672 -12.558
  684    H    GLY  87           H        GLY  87  14.644  34.360 -15.345
  685    HA2  GLY  87           HA2      GLY  87  17.169  34.206 -16.888
  686    HA3  GLY  87           HA3      GLY  87  15.783  33.213 -17.373
  687    H    LYS  88           H        LYS  88  14.938  34.213 -19.148
  688    HA   LYS  88           HA       LYS  88  15.233  36.956 -19.718
  689    HB2  LYS  88           HB2      LYS  88  13.053  35.150 -20.841
  690    HB3  LYS  88           HB3      LYS  88  13.696  36.633 -21.547
  691    HG2  LYS  88           HG2      LYS  88  15.982  35.413 -21.645
  692    HG3  LYS  88           HG3      LYS  88  15.071  33.936 -21.286
  693    HD2  LYS  88           HD2      LYS  88  13.557  34.652 -23.309
  694    HD3  LYS  88           HD3      LYS  88  14.848  35.786 -23.680
  695    HE2  LYS  88           HE2      LYS  88  15.375  33.977 -25.030
  696    HE3  LYS  88           HE3      LYS  88  16.427  33.718 -23.635
  697    HZ1  LYS  88           HZ1      LYS  88  15.290  31.688 -24.310
  698    HZ2  LYS  88           HZ2      LYS  88  14.750  32.105 -22.819
  699    HZ3  LYS  88           HZ3      LYS  88  13.809  32.370 -24.122
  700    H    ASP  89           H        ASP  89  12.738  35.352 -17.809
  701    HA   ASP  89           HA       ASP  89  10.742  35.928 -16.999
  702    HB2  ASP  89           HB2      ASP  89  12.333  37.193 -15.595
  703    HB3  ASP  89           HB3      ASP  89  12.080  38.612 -16.613
  704    H    ASP  90           H        ASP  90  11.040  36.298 -19.869
  705    HA   ASP  90           HA       ASP  90   8.661  37.931 -20.496
  706    HB2  ASP  90           HB2      ASP  90  10.679  39.439 -20.564
  707    HB3  ASP  90           HB3      ASP  90  11.391  38.372 -21.775
  708    H    ASP  91           H        ASP  91   9.705  35.006 -20.558
  709    HA   ASP  91           HA       ASP  91   8.811  34.254 -23.230
  710    HB2  ASP  91           HB2      ASP  91  11.257  34.731 -23.493
  711    HB3  ASP  91           HB3      ASP  91  11.601  33.546 -22.228
  712    H    VAL  92           H        VAL  92   8.554  31.822 -23.273
  713    HA   VAL  92           HA       VAL  92   8.016  30.765 -20.560
  714    HB   VAL  92           HB       VAL  92   6.087  31.932 -21.505
  715   HG11  VAL  92          HG11      VAL  92   6.425  31.554 -23.921
  716   HG12  VAL  92          HG12      VAL  92   6.050  29.830 -23.704
  717   HG13  VAL  92          HG13      VAL  92   4.811  31.063 -23.399
  718   HG21  VAL  92          HG21      VAL  92   4.391  30.249 -21.110
  719   HG22  VAL  92          HG22      VAL  92   5.582  28.947 -21.296
  720   HG23  VAL  92          HG23      VAL  92   5.710  30.101 -19.947
  721    H    TYR  93           H        TYR  93   7.865  28.605 -20.390
  722    HA   TYR  93           HA       TYR  93   9.087  26.841 -22.442
  723    HB2  TYR  93           HB2      TYR  93   9.909  26.980 -19.514
  724    HB3  TYR  93           HB3      TYR  93  10.708  26.107 -20.806
  725    HD1  TYR  93           HD2      TYR  93  10.118  29.438 -19.287
  726    HD2  TYR  93           HD1      TYR  93  12.319  27.251 -22.284
  727    HE1  TYR  93           HE2      TYR  93  11.555  31.412 -19.661
  728    HE2  TYR  93           HE1      TYR  93  13.823  29.198 -22.597
  729    HH   TYR  93           HH       TYR  93  13.417  32.241 -20.708
  730    H    THR  94           H        THR  94   9.127  24.535 -21.216
  731    HA   THR  94           HA       THR  94   6.654  24.148 -19.602
  732    HB   THR  94           HB       THR  94   7.400  22.140 -21.734
  733    HG1  THR  94           HG1      THR  94   6.941  24.064 -22.821
  734   HG21  THR  94          HG21      THR  94   4.769  22.782 -20.326
  735   HG22  THR  94          HG22      THR  94   5.051  21.466 -21.487
  736   HG23  THR  94          HG23      THR  94   5.862  21.442 -19.914
  737    H    ALA  95           H        ALA  95   6.928  22.784 -17.947
  738    HA   ALA  95           HA       ALA  95   9.488  21.277 -17.652
  739    HB1  ALA  95           HB1      ALA  95   9.604  23.392 -16.337
  740    HB2  ALA  95           HB2      ALA  95   8.055  22.998 -15.561
  741    HB3  ALA  95           HB3      ALA  95   9.474  21.980 -15.263
  742    H    LYS  96           H        LYS  96   9.187  19.399 -16.232
  743    HA   LYS  96           HA       LYS  96   6.416  18.369 -16.293
  744    HB2  LYS  96           HB2      LYS  96   7.305  16.412 -15.074
  745    HB3  LYS  96           HB3      LYS  96   7.760  16.585 -16.742
  746    HG2  LYS  96           HG2      LYS  96   9.642  17.525 -14.561
  747    HG3  LYS  96           HG3      LYS  96   9.483  15.816 -14.881
  748    HD2  LYS  96           HD2      LYS  96  10.464  17.893 -16.856
  749    HD3  LYS  96           HD3      LYS  96  11.407  16.650 -16.049
  750    HE2  LYS  96           HE2      LYS  96   9.268  16.261 -18.172
  751    HE3  LYS  96           HE3      LYS  96  10.999  15.976 -18.332
  752    HZ1  LYS  96           HZ1      LYS  96   9.875  13.908 -18.042
  753    HZ2  LYS  96           HZ2      LYS  96  10.724  14.163 -16.675
  754    HZ3  LYS  96           HZ3      LYS  96   9.085  14.382 -16.699
  755    H    LEU  97           H        LEU  97   5.179  18.168 -14.458
  756    HA   LEU  97           HA       LEU  97   5.592  19.994 -12.280
  757    HB2  LEU  97           HB2      LEU  97   3.367  19.038 -13.060
  758    HB3  LEU  97           HB3      LEU  97   3.852  17.499 -12.339
  759    HG   LEU  97           HG       LEU  97   3.987  18.625 -10.092
  760   HD11  LEU  97          HD11      LEU  97   2.849  20.871  -9.876
  761   HD12  LEU  97          HD12      LEU  97   4.392  20.957 -10.719
  762   HD13  LEU  97          HD13      LEU  97   2.871  21.015 -11.640
  763   HD21  LEU  97          HD21      LEU  97   1.322  18.922 -11.538
  764   HD22  LEU  97          HD22      LEU  97   1.959  17.427 -10.810
  765   HD23  LEU  97          HD23      LEU  97   1.558  18.807  -9.779
  766    H    SER  98           H        SER  98   6.495  16.650 -12.933
  767    HA   SER  98           HA       SER  98   7.393  15.802 -10.410
  768    HB2  SER  98           HB2      SER  98   8.274  15.169 -13.255
  769    HB3  SER  98           HB3      SER  98   8.723  14.207 -11.845
  770    HG   SER  98           HG       SER  98   6.483  14.067 -13.279
  771    H    ASP  99           H        ASP  99   8.751  18.363 -12.329
  772    HA   ASP  99           HA       ASP  99  11.312  18.232 -10.787
  773    HB2  ASP  99           HB2      ASP  99  10.762  19.209 -13.615
  774    HB3  ASP  99           HB3      ASP  99  12.141  19.753 -12.694
  775    H    ILE 100           H        ILE 100   8.421  19.561 -10.387
  776    HA   ILE 100           HA       ILE 100   9.451  22.327  -9.934
  777    HB   ILE 100           HB       ILE 100   6.871  21.274 -11.000
  778   HG12  ILE 100          HG12      ILE 100   8.878  22.352 -12.239
  779   HG13  ILE 100          HG13      ILE 100   7.231  22.783 -12.701
  780   HG21  ILE 100          HG21      ILE 100   5.952  22.435  -9.102
  781   HG22  ILE 100          HG22      ILE 100   6.950  23.869  -9.416
  782   HG23  ILE 100          HG23      ILE 100   5.673  23.392 -10.557
  783   HD11  ILE 100          HD11      ILE 100   8.982  24.485 -10.892
  784   HD12  ILE 100          HD12      ILE 100   8.830  24.684 -12.649
  785   HD13  ILE 100          HD13      ILE 100   7.419  24.934 -11.611
  786    H    GLU 101           H        GLU 101   9.163  23.240  -8.084
  787    HA   GLU 101           HA       GLU 101   7.686  21.848  -5.899
  788    HB2  GLU 101           HB2      GLU 101  10.129  21.478  -5.669
  789    HB3  GLU 101           HB3      GLU 101  10.400  23.227  -5.663
  790    HG2  GLU 101           HG2      GLU 101   8.979  23.398  -3.607
  791    HG3  GLU 101           HG3      GLU 101   8.762  21.646  -3.628
  792    H    ALA 102           H        ALA 102   5.951  23.185  -5.581
  793    HA   ALA 102           HA       ALA 102   5.931  25.905  -6.529
  794    HB1  ALA 102           HB1      ALA 102   3.882  24.561  -6.448
  795    HB2  ALA 102           HB2      ALA 102   4.002  24.444  -4.675
  796    HB3  ALA 102           HB3      ALA 102   3.714  26.012  -5.470
  797    H    ILE 103           H        ILE 103   5.851  27.802  -5.388
  798    HA   ILE 103           HA       ILE 103   6.962  27.790  -2.611
  799    HB   ILE 103           HB       ILE 103   7.365  29.701  -4.938
  800   HG12  ILE 103          HG12      ILE 103   9.462  28.070  -3.428
  801   HG13  ILE 103          HG13      ILE 103   8.723  27.515  -4.918
  802   HG21  ILE 103          HG21      ILE 103   7.222  30.967  -2.809
  803   HG22  ILE 103          HG22      ILE 103   8.464  29.911  -2.101
  804   HG23  ILE 103          HG23      ILE 103   8.854  30.996  -3.455
  805   HD11  ILE 103          HD11      ILE 103  10.469  29.983  -4.603
  806   HD12  ILE 103          HD12      ILE 103  10.813  28.503  -5.500
  807   HD13  ILE 103          HD13      ILE 103   9.546  29.598  -6.076
  808    H    ASP 104           H        ASP 104   5.800  28.808  -1.124
  809    HA   ASP 104           HA       ASP 104   4.055  29.734  -0.063
  810    HB2  ASP 104           HB2      ASP 104   5.576  31.587  -0.614
  811    HB3  ASP 104           HB3      ASP 104   4.628  31.939  -2.059
  812    H    VAL 105           H        VAL 105   3.025  27.885  -1.840
  813    HA   VAL 105           HA       VAL 105   0.747  29.189  -3.197
  814    HB   VAL 105           HB       VAL 105   2.386  27.540  -4.286
  815   HG11  VAL 105          HG11      VAL 105   2.446  25.733  -2.690
  816   HG12  VAL 105          HG12      VAL 105   0.704  25.478  -2.854
  817   HG13  VAL 105          HG13      VAL 105   1.764  25.161  -4.221
  818   HG21  VAL 105          HG21      VAL 105   0.366  28.453  -5.299
  819   HG22  VAL 105          HG22      VAL 105   0.810  26.841  -5.846
  820   HG23  VAL 105          HG23      VAL 105  -0.549  27.050  -4.709
  821    H    ASP 106           H        ASP 106  -1.386  27.760  -3.097
  822    HA   ASP 106           HA       ASP 106  -2.261  27.814  -0.359
  823    HB2  ASP 106           HB2      ASP 106  -3.803  28.226  -2.247
  824    HB3  ASP 106           HB3      ASP 106  -3.574  26.530  -2.753
  825    H    ASP 107           H        ASP 107  -3.327  26.038   0.599
  826    HA   ASP 107           HA       ASP 107  -1.449  23.944   1.278
  827    HB2  ASP 107           HB2      ASP 107  -3.018  24.842   2.921
  828    HB3  ASP 107           HB3      ASP 107  -4.393  24.309   1.951
  829    H    ASP 108           H        ASP 108  -4.471  23.989  -0.745
  830    HA   ASP 108           HA       ASP 108  -4.396  21.107  -1.008
  831    HB2  ASP 108           HB2      ASP 108  -6.414  22.735  -1.067
  832    HB3  ASP 108           HB3      ASP 108  -5.967  23.026  -2.749
  833    H    THR 109           H        THR 109  -3.006  23.819  -2.750
  834    HA   THR 109           HA       THR 109  -2.371  22.355  -5.212
  835    HB   THR 109           HB       THR 109  -1.123  24.926  -4.072
  836    HG1  THR 109           HG1      THR 109  -3.449  24.969  -4.442
  837   HG21  THR 109          HG21      THR 109  -1.193  23.771  -6.881
  838   HG22  THR 109          HG22      THR 109  -0.739  25.411  -6.501
  839   HG23  THR 109          HG23      THR 109   0.250  24.075  -5.884
  840    H    GLN 110           H        GLN 110  -0.675  23.275  -2.135
  841    HA   GLN 110           HA       GLN 110   1.762  22.010  -2.814
  842    HB2  GLN 110           HB2      GLN 110   1.119  23.695  -0.891
  843    HB3  GLN 110           HB3      GLN 110   0.777  22.244   0.049
  844    HG2  GLN 110           HG2      GLN 110   3.413  23.015  -1.290
  845    HG3  GLN 110           HG3      GLN 110   3.061  23.107   0.430
  846   HE21  GLN 110          HE22      GLN 110   4.397  21.133  -2.021
  847   HE22  GLN 110          HE21      GLN 110   4.384  19.610  -1.170
  848    H    GLU 111           H        GLU 111  -1.107  20.761  -0.958
  849    HA   GLU 111           HA       GLU 111  -0.015  18.198  -0.471
  850    HB2  GLU 111           HB2      GLU 111  -2.857  19.242  -0.704
  851    HB3  GLU 111           HB3      GLU 111  -2.549  17.533  -0.423
  852    HG2  GLU 111           HG2      GLU 111  -1.517  19.786   1.334
  853    HG3  GLU 111           HG3      GLU 111  -2.955  18.817   1.665
  854    H    ALA 112           H        ALA 112  -1.868  19.369  -3.328
  855    HA   ALA 112           HA       ALA 112  -2.009  16.801  -4.580
  856    HB1  ALA 112           HB1      ALA 112  -1.960  19.595  -5.790
  857    HB2  ALA 112           HB2      ALA 112  -2.428  18.108  -6.647
  858    HB3  ALA 112           HB3      ALA 112  -3.395  18.683  -5.274
  859    H    ILE 113           H        ILE 113   0.482  19.400  -4.754
  860    HA   ILE 113           HA       ILE 113   2.131  18.078  -6.689
  861    HB   ILE 113           HB       ILE 113   2.605  20.224  -4.608
  862   HG12  ILE 113          HG12      ILE 113   2.667  20.399  -7.649
  863   HG13  ILE 113          HG13      ILE 113   1.160  20.525  -6.749
  864   HG21  ILE 113          HG21      ILE 113   4.629  19.182  -6.638
  865   HG22  ILE 113          HG22      ILE 113   4.803  20.690  -5.715
  866   HG23  ILE 113          HG23      ILE 113   4.773  19.153  -4.864
  867   HD11  ILE 113          HD11      ILE 113   2.061  22.409  -5.440
  868   HD12  ILE 113          HD12      ILE 113   3.526  22.375  -6.462
  869   HD13  ILE 113          HD13      ILE 113   1.944  22.740  -7.181
  870    H    ALA 114           H        ALA 114   2.237  18.093  -3.073
  871    HA   ALA 114           HA       ALA 114   4.460  16.386  -2.788
  872    HB1  ALA 114           HB1      ALA 114   2.008  16.672  -0.988
  873    HB2  ALA 114           HB2      ALA 114   3.566  15.958  -0.532
  874    HB3  ALA 114           HB3      ALA 114   3.468  17.684  -0.924
  875    H    ASP 115           H        ASP 115   0.959  15.656  -3.036
  876    HA   ASP 115           HA       ASP 115   1.093  12.875  -2.711
  877    HB2  ASP 115           HB2      ASP 115  -0.968  14.400  -2.807
  878    HB3  ASP 115           HB3      ASP 115  -0.863  14.295  -4.558
  879    H    TRP 116           H        TRP 116   1.447  14.834  -5.661
  880    HA   TRP 116           HA       TRP 116   1.649  12.579  -7.463
  881    HB2  TRP 116           HB2      TRP 116   0.951  14.740  -8.299
  882    HB3  TRP 116           HB3      TRP 116   2.421  15.514  -7.705
  883    HD1  TRP 116           HD1      TRP 116   4.242  15.826  -9.450
  884    HE1  TRP 116           HE1      TRP 116   5.053  14.608 -11.555
  885    HE3  TRP 116           HE3      TRP 116   0.789  12.052  -9.611
  886    HZ2  TRP 116           HZ2      TRP 116   4.224  12.390 -13.189
  887    HZ3  TRP 116           HZ3      TRP 116   0.826  10.396 -11.444
  888    HH2  TRP 116           HH2      TRP 116   2.537  10.550 -13.240
  889    H    LEU 117           H        LEU 117   4.027  14.653  -5.718
  890    HA   LEU 117           HA       LEU 117   6.321  13.443  -6.929
  891    HB2  LEU 117           HB2      LEU 117   5.943  14.993  -4.345
  892    HB3  LEU 117           HB3      LEU 117   7.516  14.426  -4.896
  893    HG   LEU 117           HG       LEU 117   5.740  16.277  -6.552
  894   HD11  LEU 117          HD11      LEU 117   8.117  16.960  -4.774
  895   HD12  LEU 117          HD12      LEU 117   7.231  18.085  -5.832
  896   HD13  LEU 117          HD13      LEU 117   6.414  17.351  -4.444
  897   HD21  LEU 117          HD21      LEU 117   7.325  15.064  -7.953
  898   HD22  LEU 117          HD22      LEU 117   7.830  16.745  -7.795
  899   HD23  LEU 117          HD23      LEU 117   8.663  15.484  -6.860
  900    H    TYR 118           H        TYR 118   4.348  12.509  -4.075
  901    HA   TYR 118           HA       TYR 118   6.117  10.410  -3.244
  902    HB2  TYR 118           HB2      TYR 118   3.084  10.490  -3.056
  903    HB3  TYR 118           HB3      TYR 118   4.146   9.417  -2.167
  904    HD1  TYR 118           HD1      TYR 118   6.313  11.496  -1.364
  905    HD2  TYR 118           HD2      TYR 118   1.997  11.559  -1.250
  906    HE1  TYR 118           HE1      TYR 118   6.403  13.105   0.470
  907    HE2  TYR 118           HE2      TYR 118   2.071  13.283   0.517
  908    HH   TYR 118           HH       TYR 118   5.166  14.471   1.926
  909    H    TRP 119           H        TRP 119   3.291  10.366  -5.533
  910    HA   TRP 119           HA       TRP 119   3.591   7.635  -6.250
  911    HB2  TRP 119           HB2      TRP 119   1.597   8.753  -6.753
  912    HB3  TRP 119           HB3      TRP 119   2.410  10.063  -7.592
  913    HD1  TRP 119           HD1      TRP 119   3.606   9.370  -9.985
  914    HE1  TRP 119           HE1      TRP 119   2.705   7.950 -11.871
  915    HE3  TRP 119           HE3      TRP 119   0.035   6.766  -7.377
  916    HZ2  TRP 119           HZ2      TRP 119   0.467   6.162 -12.293
  917    HZ3  TRP 119           HZ3      TRP 119  -1.568   5.320  -8.593
  918    HH2  TRP 119           HH2      TRP 119  -1.367   5.004 -11.049
  919    H    LEU 120           H        LEU 120   5.214  10.583  -7.626
  920    HA   LEU 120           HA       LEU 120   6.639   9.248  -9.668
  921    HB2  LEU 120           HB2      LEU 120   6.441  11.704  -9.419
  922    HB3  LEU 120           HB3      LEU 120   7.381  11.630  -7.934
  923    HG   LEU 120           HG       LEU 120   9.326  10.684  -9.300
  924   HD11  LEU 120          HD11      LEU 120   8.102   9.927 -11.291
  925   HD12  LEU 120          HD12      LEU 120   7.542  11.584 -11.610
  926   HD13  LEU 120          HD13      LEU 120   9.266  11.176 -11.741
  927   HD21  LEU 120          HD21      LEU 120   9.309  12.955  -8.502
  928   HD22  LEU 120          HD22      LEU 120   9.912  12.952 -10.165
  929   HD23  LEU 120          HD23      LEU 120   8.239  13.466  -9.817
  930    H    ALA 121           H        ALA 121   7.684  10.028  -6.296
  931    HA   ALA 121           HA       ALA 121  10.182   8.683  -6.481
  932    HB1  ALA 121           HB1      ALA 121   9.726  10.453  -4.853
  933    HB2  ALA 121           HB2      ALA 121   8.475   9.457  -4.079
  934    HB3  ALA 121           HB3      ALA 121  10.184   8.964  -4.003
  935    H    ARG 122           H        ARG 122   6.949   7.443  -5.873
  936    HA   ARG 122           HA       ARG 122   7.748   4.972  -4.636
  937    HB2  ARG 122           HB2      ARG 122   5.481   5.997  -4.442
  938    HB3  ARG 122           HB3      ARG 122   5.233   5.782  -6.170
  939    HG2  ARG 122           HG2      ARG 122   3.973   4.144  -4.990
  940    HG3  ARG 122           HG3      ARG 122   5.238   3.342  -5.889
  941    HD2  ARG 122           HD2      ARG 122   5.479   2.221  -3.901
  942    HD3  ARG 122           HD3      ARG 122   6.580   3.564  -3.572
  943    HE   ARG 122           HE       ARG 122   5.327   4.136  -1.832
  944   HH11  ARG 122          HH11      ARG 122   3.156   2.296  -3.984
  945   HH12  ARG 122          HH12      ARG 122   1.811   2.371  -2.880
  946   HH21  ARG 122          HH21      ARG 122   3.580   4.064  -0.327
  947   HH22  ARG 122          HH22      ARG 122   2.112   3.228  -0.765
  948    H    GLY 123           H        GLY 123   8.177   6.140  -7.839
  949    HA2  GLY 123           HA2      GLY 123   8.979   5.060  -9.706
  950    HA3  GLY 123           HA3      GLY 123   8.900   3.495  -8.870
  951    H    TYR 124           H        TYR 124   6.298   5.934  -9.189
  952    HA   TYR 124           HA       TYR 124   4.177   5.881  -9.855
  953    HB2  TYR 124           HB2      TYR 124   5.731   4.607 -12.055
  954    HB3  TYR 124           HB3      TYR 124   3.993   4.513 -12.177
  955    HD1  TYR 124           HD2      TYR 124   5.792   7.486 -10.739
  956    HD2  TYR 124           HD1      TYR 124   3.742   5.751 -14.106
  957    HE1  TYR 124           HE2      TYR 124   5.800   9.691 -11.864
  958    HE2  TYR 124           HE1      TYR 124   3.825   7.927 -15.274
  959    HH   TYR 124           HH       TYR 124   4.710  10.010 -15.301
  960    H    LYS 125           H        LYS 125   2.392   4.211 -10.879
  961    HA   LYS 125           HA       LYS 125   2.722   1.608  -9.490
  962    HB2  LYS 125           HB2      LYS 125   0.116   3.171  -9.446
  963    HB3  LYS 125           HB3      LYS 125   0.381   1.540  -8.834
  964    HG2  LYS 125           HG2      LYS 125   2.149   2.503  -7.266
  965    HG3  LYS 125           HG3      LYS 125   1.646   4.110  -7.800
  966    HD2  LYS 125           HD2      LYS 125   0.599   3.611  -5.684
  967    HD3  LYS 125           HD3      LYS 125  -0.657   3.647  -6.932
  968    HE2  LYS 125           HE2      LYS 125  -0.691   1.189  -7.021
  969    HE3  LYS 125           HE3      LYS 125   0.683   1.095  -5.914
  970    HZ1  LYS 125           HZ1      LYS 125  -0.688   2.017  -4.169
  971    HZ2  LYS 125           HZ2      LYS 125  -1.971   2.194  -5.193
  972    HZ3  LYS 125           HZ3      LYS 125  -1.429   0.706  -4.800
  973    H    PHE 126           H        PHE 126   1.186   3.345 -12.254
  974    HA   PHE 126           HA       PHE 126   0.351   0.815 -13.416
  975    HB2  PHE 126           HB2      PHE 126  -0.028   1.987 -15.463
  976    HB3  PHE 126           HB3      PHE 126  -0.815   2.755 -14.111
  977    HD1  PHE 126           HD1      PHE 126   2.338   3.067 -16.191
  978    HD2  PHE 126           HD2      PHE 126  -0.788   5.080 -14.007
  979    HE1  PHE 126           HE1      PHE 126   3.098   5.243 -17.098
  980    HE2  PHE 126           HE2      PHE 126  -0.036   7.250 -14.931
  981    HZ   PHE 126           HZ       PHE 126   1.890   7.336 -16.501
  Start of MODEL   16
    1    H1   MET   1           H1       MET   1   8.565  -1.314  -6.022
    2    H2   MET   1           H2       MET   1   9.014  -0.720  -7.475
    3    H3   MET   1           H3       MET   1   9.776  -2.037  -6.856
    4    HA   MET   1           HA       MET   1  10.650  -0.737  -5.040
    5    HB2  MET   1           HB2      MET   1  12.014  -1.010  -7.100
    6    HB3  MET   1           HB3      MET   1  11.298   0.454  -7.776
    7    HG2  MET   1           HG2      MET   1  13.521   0.881  -6.832
    8    HG3  MET   1           HG3      MET   1  12.282   1.815  -6.014
    9    HE1  MET   1           HE1      MET   1  14.669  -1.726  -4.195
   10    HE2  MET   1           HE2      MET   1  13.535  -1.995  -5.533
   11    HE3  MET   1           HE3      MET   1  14.975  -0.979  -5.776
   12    H    ALA   2           H        ALA   2  10.418   1.039  -3.720
   13    HA   ALA   2           HA       ALA   2   9.318   3.547  -4.697
   14    HB1  ALA   2           HB1      ALA   2   7.890   1.944  -2.514
   15    HB2  ALA   2           HB2      ALA   2   7.519   3.615  -2.976
   16    HB3  ALA   2           HB3      ALA   2   7.234   2.306  -4.126
   17    H    SER   3           H        SER   3   9.455   5.154  -2.927
   18    HA   SER   3           HA       SER   3  11.574   4.566  -0.921
   19    HB2  SER   3           HB2      SER   3  11.128   7.149  -2.472
   20    HB3  SER   3           HB3      SER   3  12.470   6.787  -1.371
   21    HG   SER   3           HG       SER   3  13.048   6.514  -3.572
   22    H    VAL   4           H        VAL   4   8.536   4.635  -0.834
   23    HA   VAL   4           HA       VAL   4   8.413   5.730   1.813
   24    HB   VAL   4           HB       VAL   4   7.769   7.708   0.427
   25   HG11  VAL   4          HG11      VAL   4   5.305   6.145  -0.418
   26   HG12  VAL   4          HG12      VAL   4   5.698   7.828  -0.804
   27   HG13  VAL   4          HG13      VAL   4   6.679   6.521  -1.482
   28   HG21  VAL   4          HG21      VAL   4   5.501   6.580   2.106
   29   HG22  VAL   4          HG22      VAL   4   6.917   7.470   2.704
   30   HG23  VAL   4          HG23      VAL   4   5.740   8.282   1.661
   31    H    GLU   5           H        GLU   5   7.032   4.345   2.993
   32    HA   GLU   5           HA       GLU   5   5.655   2.184   1.461
   33    HB2  GLU   5           HB2      GLU   5   7.726   1.874   3.675
   34    HB3  GLU   5           HB3      GLU   5   6.777   0.557   2.976
   35    HG2  GLU   5           HG2      GLU   5   7.769   1.058   0.734
   36    HG3  GLU   5           HG3      GLU   5   8.818   2.258   1.493
   37    H    ARG   6           H        ARG   6   4.861   4.589   3.486
   38    HA   ARG   6           HA       ARG   6   2.698   3.091   4.574
   39    HB2  ARG   6           HB2      ARG   6   4.593   3.133   6.367
   40    HB3  ARG   6           HB3      ARG   6   4.261   4.857   6.503
   41    HG2  ARG   6           HG2      ARG   6   2.364   2.519   6.994
   42    HG3  ARG   6           HG3      ARG   6   2.990   3.651   8.201
   43    HD2  ARG   6           HD2      ARG   6   1.724   5.496   7.146
   44    HD3  ARG   6           HD3      ARG   6   1.202   4.412   5.866
   45    HE   ARG   6           HE       ARG   6  -0.344   3.362   7.189
   46   HH11  ARG   6          HH11      ARG   6   1.440   5.638   9.277
   47   HH12  ARG   6          HH12      ARG   6   0.269   5.549  10.541
   48   HH21  ARG   6          HH21      ARG   6  -1.784   3.254   8.708
   49   HH22  ARG   6          HH22      ARG   6  -1.668   4.115  10.232
   50    H    ASP   7           H        ASP   7   1.952   4.194   2.753
   51    HA   ASP   7           HA       ASP   7   1.431   7.118   3.086
   52    HB2  ASP   7           HB2      ASP   7   3.260   6.528   1.426
   53    HB3  ASP   7           HB3      ASP   7   2.048   5.648   0.496
   54    H    GLU   8           H        GLU   8  -0.102   4.507   3.623
   55    HA   GLU   8           HA       GLU   8  -1.886   3.968   1.575
   56    HB2  GLU   8           HB2      GLU   8  -3.096   2.621   3.175
   57    HB3  GLU   8           HB3      GLU   8  -1.373   2.493   3.534
   58    HG2  GLU   8           HG2      GLU   8  -1.684   4.249   5.334
   59    HG3  GLU   8           HG3      GLU   8  -3.421   4.194   5.034
   60    H    THR   9           H        THR   9  -2.113   6.564   3.889
   61    HA   THR   9           HA       THR   9  -4.875   7.251   3.671
   62    HB   THR   9           HB       THR   9  -3.655   9.570   4.075
   63    HG1  THR   9           HG1      THR   9  -1.572   9.383   4.810
   64   HG21  THR   9          HG21      THR   9  -3.357   9.012   6.481
   65   HG22  THR   9          HG22      THR   9  -4.843   8.285   5.848
   66   HG23  THR   9          HG23      THR   9  -3.399   7.277   6.088
   67    H    ARG  10           H        ARG  10  -1.986   8.037   1.708
   68    HA   ARG  10           HA       ARG  10  -3.641   9.759  -0.037
   69    HB2  ARG  10           HB2      ARG  10  -0.686   9.069  -0.134
   70    HB3  ARG  10           HB3      ARG  10  -1.524  10.117  -1.286
   71    HG2  ARG  10           HG2      ARG  10  -2.248  11.575   0.660
   72    HG3  ARG  10           HG3      ARG  10  -1.200  10.605   1.712
   73    HD2  ARG  10           HD2      ARG  10   0.751  11.194   0.317
   74    HD3  ARG  10           HD3      ARG  10  -0.270  12.133  -0.760
   75    HE   ARG  10           HE       ARG  10   0.745  12.857   1.874
   76   HH11  ARG  10          HH11      ARG  10  -1.787  13.686  -0.530
   77   HH12  ARG  10          HH12      ARG  10  -2.006  15.293   0.160
   78   HH21  ARG  10          HH21      ARG  10   0.454  15.047   2.607
   79   HH22  ARG  10          HH22      ARG  10  -0.644  16.104   1.765
   80    H    GLU  11           H        GLU  11  -2.089   6.500  -0.113
   81    HA   GLU  11           HA       GLU  11  -2.743   5.983  -2.841
   82    HB2  GLU  11           HB2      GLU  11  -2.615   4.046  -0.499
   83    HB3  GLU  11           HB3      GLU  11  -2.735   3.585  -2.201
   84    HG2  GLU  11           HG2      GLU  11  -0.617   4.859  -2.660
   85    HG3  GLU  11           HG3      GLU  11  -0.429   5.115  -0.927
   86    H    HIS  12           H        HIS  12  -4.758   5.686   0.142
   87    HA   HIS  12           HA       HIS  12  -7.067   4.670  -1.182
   88    HB2  HIS  12           HB2      HIS  12  -6.725   4.666   1.273
   89    HB3  HIS  12           HB3      HIS  12  -6.889   6.420   1.307
   90    HD1  HIS  12           HD1      HIS  12  -9.458   7.363   0.713
   91    HD2  HIS  12           HD2      HIS  12  -8.930   3.211   1.200
   92    HE1  HIS  12           HE1      HIS  12 -11.780   6.377   0.996
   93    H    ARG  13           H        ARG  13  -6.080   8.110  -0.475
   94    HA   ARG  13           HA       ARG  13  -8.363   9.338  -1.655
   95    HB2  ARG  13           HB2      ARG  13  -5.462  10.288  -1.636
   96    HB3  ARG  13           HB3      ARG  13  -6.832  11.257  -2.150
   97    HG2  ARG  13           HG2      ARG  13  -7.777  11.219   0.127
   98    HG3  ARG  13           HG3      ARG  13  -6.410  10.227   0.691
   99    HD2  ARG  13           HD2      ARG  13  -4.830  11.978  -0.155
  100    HD3  ARG  13           HD3      ARG  13  -6.220  12.966  -0.642
  101    HE   ARG  13           HE       ARG  13  -6.386  12.341   2.148
  102   HH11  ARG  13          HH11      ARG  13  -4.638  14.328  -0.186
  103   HH12  ARG  13          HH12      ARG  13  -4.118  15.538   0.938
  104   HH21  ARG  13          HH21      ARG  13  -5.766  13.983   3.704
  105   HH22  ARG  13          HH22      ARG  13  -4.837  15.345   3.200
  106    H    ILE  14           H        ILE  14  -5.231   8.404  -3.159
  107    HA   ILE  14           HA       ILE  14  -5.757   9.334  -5.746
  108    HB   ILE  14           HB       ILE  14  -4.046   7.089  -4.630
  109   HG12  ILE  14          HG12      ILE  14  -3.156   9.694  -5.910
  110   HG13  ILE  14          HG13      ILE  14  -3.610   9.637  -4.221
  111   HG21  ILE  14          HG21      ILE  14  -2.860   6.980  -6.811
  112   HG22  ILE  14          HG22      ILE  14  -4.519   6.406  -6.914
  113   HG23  ILE  14          HG23      ILE  14  -4.103   8.028  -7.528
  114   HD11  ILE  14          HD11      ILE  14  -1.205   9.461  -4.407
  115   HD12  ILE  14          HD12      ILE  14  -1.854   7.943  -3.772
  116   HD13  ILE  14          HD13      ILE  14  -1.341   8.045  -5.464
  117    H    GLU  15           H        GLU  15  -6.315   6.053  -4.376
  118    HA   GLU  15           HA       GLU  15  -7.423   4.946  -6.686
  119    HB2  GLU  15           HB2      GLU  15  -6.568   3.630  -4.851
  120    HB3  GLU  15           HB3      GLU  15  -7.757   4.296  -3.723
  121    HG2  GLU  15           HG2      GLU  15  -9.575   3.182  -4.856
  122    HG3  GLU  15           HG3      GLU  15  -8.505   2.637  -6.158
  123    H    THR  16           H        THR  16  -9.058   6.754  -4.050
  124    HA   THR  16           HA       THR  16 -11.679   6.103  -5.230
  125    HB   THR  16           HB       THR  16 -12.563   6.974  -3.091
  126    HG1  THR  16           HG1      THR  16  -9.840   7.073  -2.280
  127   HG21  THR  16          HG21      THR  16 -11.834   5.102  -1.723
  128   HG22  THR  16          HG22      THR  16 -12.028   4.570  -3.398
  129   HG23  THR  16          HG23      THR  16 -10.401   4.849  -2.742
  130    H    GLU  17           H        GLU  17  -9.585   8.824  -5.275
  131    HA   GLU  17           HA       GLU  17 -11.835  10.560  -6.193
  132    HB2  GLU  17           HB2      GLU  17  -9.412  11.394  -4.557
  133    HB3  GLU  17           HB3      GLU  17 -10.688  12.449  -5.111
  134    HG2  GLU  17           HG2      GLU  17 -10.998  10.186  -3.100
  135    HG3  GLU  17           HG3      GLU  17 -10.924  11.902  -2.742
  136    H    ILE  18           H        ILE  18  -8.707   9.321  -7.129
  137    HA   ILE  18           HA       ILE  18  -8.432  11.578  -9.083
  138    HB   ILE  18           HB       ILE  18  -6.214   9.919  -7.849
  139   HG12  ILE  18          HG12      ILE  18  -7.272  12.697  -7.151
  140   HG13  ILE  18          HG13      ILE  18  -7.221  11.287  -6.097
  141   HG21  ILE  18          HG21      ILE  18  -4.724  11.552  -8.873
  142   HG22  ILE  18          HG22      ILE  18  -5.720  10.817 -10.114
  143   HG23  ILE  18          HG23      ILE  18  -6.110  12.450  -9.533
  144   HD11  ILE  18          HD11      ILE  18  -5.490  12.753  -5.397
  145   HD12  ILE  18          HD12      ILE  18  -4.710  11.367  -6.182
  146   HD13  ILE  18          HD13      ILE  18  -4.845  12.920  -7.036
  147    H    ILE  19           H        ILE  19  -7.762   8.025  -8.687
  148    HA   ILE  19           HA       ILE  19  -8.123   7.770 -11.643
  149    HB   ILE  19           HB       ILE  19  -6.724   5.819 -11.515
  150   HG12  ILE  19          HG12      ILE  19  -6.119   6.682  -8.655
  151   HG13  ILE  19          HG13      ILE  19  -7.153   5.304  -9.083
  152   HG21  ILE  19          HG21      ILE  19  -4.649   7.053 -11.464
  153   HG22  ILE  19          HG22      ILE  19  -5.900   8.118 -12.097
  154   HG23  ILE  19          HG23      ILE  19  -5.344   8.308 -10.420
  155   HD11  ILE  19          HD11      ILE  19  -4.973   4.484  -8.605
  156   HD12  ILE  19          HD12      ILE  19  -5.237   4.366 -10.371
  157   HD13  ILE  19          HD13      ILE  19  -4.219   5.672  -9.700
  158    H    VAL  20           H        VAL  20 -10.086   7.590  -9.179
  159    HA   VAL  20           HA       VAL  20 -11.148   5.028  -9.058
  160    HB   VAL  20           HB       VAL  20 -11.662   6.963  -7.626
  161   HG11  VAL  20          HG11      VAL  20 -13.374   8.590  -8.154
  162   HG12  VAL  20          HG12      VAL  20 -12.048   8.724  -9.312
  163   HG13  VAL  20          HG13      VAL  20 -13.567   7.926  -9.784
  164   HG21  VAL  20          HG21      VAL  20 -13.048   4.937  -7.524
  165   HG22  VAL  20          HG22      VAL  20 -13.970   6.396  -7.127
  166   HG23  VAL  20          HG23      VAL  20 -14.163   5.636  -8.721
  167    H    ASP  21           H        ASP  21 -11.632   7.472 -11.603
  168    HA   ASP  21           HA       ASP  21 -13.701   5.900 -12.959
  169    HB2  ASP  21           HB2      ASP  21 -13.751   8.377 -12.825
  170    HB3  ASP  21           HB3      ASP  21 -12.242   8.454 -13.736
  171    H    ALA  22           H        ALA  22 -10.318   5.699 -12.842
  172    HA   ALA  22           HA       ALA  22  -9.816   5.342 -15.700
  173    HB1  ALA  22           HB1      ALA  22  -7.517   5.000 -15.026
  174    HB2  ALA  22           HB2      ALA  22  -8.146   6.402 -14.148
  175    HB3  ALA  22           HB3      ALA  22  -7.975   4.826 -13.329
  176    H    GLU  23           H        GLU  23  -8.375   3.312 -16.197
  177    HA   GLU  23           HA       GLU  23  -9.239   0.841 -14.870
  178    HB2  GLU  23           HB2      GLU  23 -11.037   1.296 -16.530
  179    HB3  GLU  23           HB3      GLU  23  -9.832   1.357 -17.822
  180    HG2  GLU  23           HG2      GLU  23  -9.238  -1.007 -17.399
  181    HG3  GLU  23           HG3      GLU  23 -10.351  -1.059 -16.029
  182    H    ASP  24           H        ASP  24  -7.443   2.383 -17.609
  183    HA   ASP  24           HA       ASP  24  -5.177   0.501 -17.140
  184    HB2  ASP  24           HB2      ASP  24  -6.626   0.059 -19.222
  185    HB3  ASP  24           HB3      ASP  24  -5.999   1.603 -19.824
  186    H    LYS  25           H        LYS  25  -3.221   1.455 -18.248
  187    HA   LYS  25           HA       LYS  25  -2.396   3.544 -16.654
  188    HB2  LYS  25           HB2      LYS  25  -0.320   3.551 -17.974
  189    HB3  LYS  25           HB3      LYS  25  -0.898   1.947 -17.546
  190    HG2  LYS  25           HG2      LYS  25  -1.928   1.891 -19.967
  191    HG3  LYS  25           HG3      LYS  25  -0.955   3.328 -20.261
  192    HD2  LYS  25           HD2      LYS  25   0.252   1.385 -21.055
  193    HD3  LYS  25           HD3      LYS  25   1.091   2.060 -19.663
  194    HE2  LYS  25           HE2      LYS  25   1.124  -0.321 -19.436
  195    HE3  LYS  25           HE3      LYS  25   0.035   0.312 -18.201
  196    HZ1  LYS  25           HZ1      LYS  25  -0.823  -1.656 -19.366
  197    HZ2  LYS  25           HZ2      LYS  25  -1.846  -0.402 -19.525
  198    HZ3  LYS  25           HZ3      LYS  25  -0.870  -0.847 -20.777
  199    H    GLU  26           H        GLU  26  -3.595   3.908 -19.996
  200    HA   GLU  26           HA       GLU  26  -2.775   6.672 -20.229
  201    HB2  GLU  26           HB2      GLU  26  -4.958   5.102 -21.677
  202    HB3  GLU  26           HB3      GLU  26  -4.392   6.719 -22.122
  203    HG2  GLU  26           HG2      GLU  26  -2.097   5.795 -22.483
  204    HG3  GLU  26           HG3      GLU  26  -2.698   4.181 -22.111
  205    H    GLU  27           H        GLU  27  -5.730   4.991 -19.124
  206    HA   GLU  27           HA       GLU  27  -7.271   7.409 -18.726
  207    HB2  GLU  27           HB2      GLU  27  -7.681   4.671 -17.465
  208    HB3  GLU  27           HB3      GLU  27  -8.862   5.966 -17.618
  209    HG2  GLU  27           HG2      GLU  27  -7.664   4.300 -19.865
  210    HG3  GLU  27           HG3      GLU  27  -9.304   4.213 -19.242
  211    H    ARG  28           H        ARG  28  -5.036   5.454 -16.725
  212    HA   ARG  28           HA       ARG  28  -5.687   6.792 -14.237
  213    HB2  ARG  28           HB2      ARG  28  -3.205   5.293 -15.149
  214    HB3  ARG  28           HB3      ARG  28  -3.475   5.836 -13.486
  215    HG2  ARG  28           HG2      ARG  28  -5.392   4.364 -13.232
  216    HG3  ARG  28           HG3      ARG  28  -5.364   3.949 -14.943
  217    HD2  ARG  28           HD2      ARG  28  -2.952   3.054 -14.476
  218    HD3  ARG  28           HD3      ARG  28  -3.450   3.078 -12.775
  219    HE   ARG  28           HE       ARG  28  -5.459   1.795 -14.340
  220   HH11  ARG  28          HH11      ARG  28  -2.171   1.152 -13.101
  221   HH12  ARG  28          HH12      ARG  28  -2.305  -0.556 -13.312
  222   HH21  ARG  28          HH21      ARG  28  -5.592  -0.456 -14.672
  223   HH22  ARG  28          HH22      ARG  28  -4.304  -1.493 -14.158
  224    H    ALA  29           H        ALA  29  -3.182   7.365 -16.770
  225    HA   ALA  29           HA       ALA  29  -2.037   9.648 -15.542
  226    HB1  ALA  29           HB1      ALA  29  -1.138  10.127 -17.751
  227    HB2  ALA  29           HB2      ALA  29  -1.064   8.384 -17.464
  228    HB3  ALA  29           HB3      ALA  29  -2.332   9.047 -18.515
  229    H    MET  30           H        MET  30  -4.883   9.353 -17.767
  230    HA   MET  30           HA       MET  30  -5.424  12.165 -17.795
  231    HB2  MET  30           HB2      MET  30  -7.220   9.764 -18.273
  232    HB3  MET  30           HB3      MET  30  -7.747  11.434 -18.455
  233    HG2  MET  30           HG2      MET  30  -5.529  10.089 -20.039
  234    HG3  MET  30           HG3      MET  30  -7.140  10.499 -20.600
  235    HE1  MET  30           HE1      MET  30  -3.573  11.367 -20.566
  236    HE2  MET  30           HE2      MET  30  -3.439  13.139 -20.596
  237    HE3  MET  30           HE3      MET  30  -3.784  12.307 -19.077
  238    H    GLY  31           H        GLY  31  -6.538   9.608 -15.529
  239    HA2  GLY  31           HA2      GLY  31  -8.375  11.138 -14.055
  240    HA3  GLY  31           HA3      GLY  31  -7.378   9.813 -13.416
  241    H    TRP  32           H        TRP  32  -4.828  10.716 -13.505
  242    HA   TRP  32           HA       TRP  32  -4.558  12.646 -11.432
  243    HB2  TRP  32           HB2      TRP  32  -2.692  11.431 -13.483
  244    HB3  TRP  32           HB3      TRP  32  -2.164  12.784 -12.500
  245    HD1  TRP  32           HD1      TRP  32  -2.568   9.090 -12.316
  246    HE1  TRP  32           HE1      TRP  32  -1.702   8.261 -10.047
  247    HE3  TRP  32           HE3      TRP  32  -2.418  13.569  -9.872
  248    HZ2  TRP  32           HZ2      TRP  32  -1.157   9.431  -7.426
  249    HZ3  TRP  32           HZ3      TRP  32  -1.740  13.690  -7.485
  250    HH2  TRP  32           HH2      TRP  32  -1.083  11.623  -6.271
  251    H    TYR  33           H        TYR  33  -4.224  13.007 -15.011
  252    HA   TYR  33           HA       TYR  33  -3.345  15.652 -14.958
  253    HB2  TYR  33           HB2      TYR  33  -3.216  14.324 -16.983
  254    HB3  TYR  33           HB3      TYR  33  -4.970  14.169 -17.051
  255    HD1  TYR  33           HD1      TYR  33  -2.164  16.596 -17.387
  256    HD2  TYR  33           HD2      TYR  33  -6.375  15.889 -17.957
  257    HE1  TYR  33           HE1      TYR  33  -2.352  18.734 -18.617
  258    HE2  TYR  33           HE2      TYR  33  -6.597  18.057 -19.111
  259    HH   TYR  33           HH       TYR  33  -5.483  19.952 -19.907
  260    H    TYR  34           H        TYR  34  -6.789  14.504 -15.273
  261    HA   TYR  34           HA       TYR  34  -7.690  17.230 -15.460
  262    HB2  TYR  34           HB2      TYR  34  -9.176  14.618 -15.066
  263    HB3  TYR  34           HB3      TYR  34  -9.967  16.180 -15.232
  264    HD1  TYR  34           HD1      TYR  34  -9.058  17.663 -17.332
  265    HD2  TYR  34           HD2      TYR  34  -8.944  13.359 -17.063
  266    HE1  TYR  34           HE1      TYR  34  -9.042  17.515 -19.799
  267    HE2  TYR  34           HE2      TYR  34  -8.900  13.203 -19.535
  268    HH   TYR  34           HH       TYR  34  -8.905  14.377 -21.548
  269    H    TYR  35           H        TYR  35  -7.285  14.977 -12.700
  270    HA   TYR  35           HA       TYR  35  -8.804  16.534 -10.835
  271    HB2  TYR  35           HB2      TYR  35  -8.094  14.204 -10.454
  272    HB3  TYR  35           HB3      TYR  35  -6.405  14.699 -10.454
  273    HD1  TYR  35           HD2      TYR  35  -9.669  15.279  -8.671
  274    HD2  TYR  35           HD1      TYR  35  -5.364  15.265  -8.404
  275    HE1  TYR  35           HE2      TYR  35  -9.825  15.679  -6.239
  276    HE2  TYR  35           HE1      TYR  35  -5.504  15.689  -5.973
  277    HH   TYR  35           HH       TYR  35  -8.647  16.000  -4.248
  278    H    LEU  36           H        LEU  36  -5.336  16.600 -11.816
  279    HA   LEU  36           HA       LEU  36  -4.599  18.730 -10.017
  280    HB2  LEU  36           HB2      LEU  36  -3.369  17.303 -12.369
  281    HB3  LEU  36           HB3      LEU  36  -2.729  18.877 -11.944
  282    HG   LEU  36           HG       LEU  36  -1.991  18.229  -9.826
  283   HD11  LEU  36          HD11      LEU  36  -2.344  15.974  -8.824
  284   HD12  LEU  36          HD12      LEU  36  -3.824  16.925  -8.920
  285   HD13  LEU  36          HD13      LEU  36  -3.538  15.625 -10.099
  286   HD21  LEU  36          HD21      LEU  36  -1.517  15.839 -11.657
  287   HD22  LEU  36          HD22      LEU  36  -0.668  17.390 -11.776
  288   HD23  LEU  36          HD23      LEU  36  -0.466  16.383 -10.329
  289    H    ASP  37           H        ASP  37  -5.595  18.637 -13.494
  290    HA   ASP  37           HA       ASP  37  -5.312  21.397 -13.965
  291    HB2  ASP  37           HB2      ASP  37  -5.670  19.790 -15.771
  292    HB3  ASP  37           HB3      ASP  37  -7.259  19.372 -15.125
  293    H    ASP  38           H        ASP  38  -8.004  19.608 -12.446
  294    HA   ASP  38           HA       ASP  38  -9.740  21.926 -12.319
  295    HB2  ASP  38           HB2      ASP  38 -10.612  19.626 -12.325
  296    HB3  ASP  38           HB3      ASP  38  -9.776  19.285 -10.808
  297    H    THR  39           H        THR  39  -7.079  20.738 -10.341
  298    HA   THR  39           HA       THR  39  -8.101  22.185  -7.954
  299    HB   THR  39           HB       THR  39  -5.742  20.306  -8.378
  300    HG1  THR  39           HG1      THR  39  -7.551  19.172  -8.589
  301   HG21  THR  39          HG21      THR  39  -5.965  20.142  -5.797
  302   HG22  THR  39          HG22      THR  39  -5.172  21.576  -6.478
  303   HG23  THR  39          HG23      THR  39  -6.840  21.683  -5.913
  304    H    LEU  40           H        LEU  40  -5.215  22.226 -10.094
  305    HA   LEU  40           HA       LEU  40  -3.686  23.949  -8.411
  306    HB2  LEU  40           HB2      LEU  40  -3.484  23.257 -11.362
  307    HB3  LEU  40           HB3      LEU  40  -2.248  24.155 -10.487
  308    HG   LEU  40           HG       LEU  40  -3.110  21.345  -9.681
  309   HD11  LEU  40          HD11      LEU  40  -2.234  21.337 -12.008
  310   HD12  LEU  40          HD12      LEU  40  -0.775  22.195 -11.467
  311   HD13  LEU  40          HD13      LEU  40  -1.104  20.544 -10.900
  312   HD21  LEU  40          HD21      LEU  40  -1.959  22.445  -7.892
  313   HD22  LEU  40          HD22      LEU  40  -0.912  21.230  -8.607
  314   HD23  LEU  40          HD23      LEU  40  -0.632  22.943  -8.980
  315    H    GLU  41           H        GLU  41  -3.746  26.094  -8.159
  316    HA   GLU  41           HA       GLU  41  -5.733  27.674  -9.451
  317    HB2  GLU  41           HB2      GLU  41  -5.103  29.333  -7.809
  318    HB3  GLU  41           HB3      GLU  41  -5.055  27.747  -7.054
  319    HG2  GLU  41           HG2      GLU  41  -2.502  27.760  -7.542
  320    HG3  GLU  41           HG3      GLU  41  -2.682  29.463  -7.938
  321    H    PHE  42           H        PHE  42  -3.480  26.840 -11.300
  322    HA   PHE  42           HA       PHE  42  -1.553  28.806 -11.575
  323    HB2  PHE  42           HB2      PHE  42  -1.092  27.863 -13.800
  324    HB3  PHE  42           HB3      PHE  42  -1.218  26.681 -12.526
  325    HD1  PHE  42           HD1      PHE  42  -3.202  28.232 -15.336
  326    HD2  PHE  42           HD2      PHE  42  -2.531  24.763 -12.863
  327    HE1  PHE  42           HE1      PHE  42  -4.733  26.911 -16.765
  328    HE2  PHE  42           HE2      PHE  42  -4.068  23.447 -14.295
  329    HZ   PHE  42           HZ       PHE  42  -5.169  24.519 -16.251
  330    HA   PRO  43           HA       PRO  43  -0.240  29.854 -13.563
  331    HB2  PRO  43           HB2      PRO  43  -0.197  32.848 -13.323
  332    HB3  PRO  43           HB3      PRO  43   0.754  31.795 -14.413
  333    HG2  PRO  43           HG2      PRO  43  -1.394  33.199 -15.329
  334    HG3  PRO  43           HG3      PRO  43  -1.097  31.522 -15.882
  335    HD2  PRO  43           HD2      PRO  43  -3.021  32.482 -13.750
  336    HD3  PRO  43           HD3      PRO  43  -3.287  31.290 -15.056
  337    H    PHE  44           H        PHE  44   1.426  29.944 -11.945
  338    HA   PHE  44           HA       PHE  44   1.053  31.502  -9.509
  339    HB2  PHE  44           HB2      PHE  44   1.153  29.677  -7.967
  340    HB3  PHE  44           HB3      PHE  44  -0.291  29.542  -8.939
  341    HD1  PHE  44           HD1      PHE  44   3.135  28.148  -8.453
  342    HD2  PHE  44           HD2      PHE  44  -0.789  27.457 -10.043
  343    HE1  PHE  44           HE1      PHE  44   3.746  25.802  -8.876
  344    HE2  PHE  44           HE2      PHE  44  -0.175  25.101 -10.511
  345    HZ   PHE  44           HZ       PHE  44   2.084  24.255  -9.918
  346    H    MET  45           H        MET  45   3.106  31.238  -8.084
  347    HA   MET  45           HA       MET  45   5.438  31.107  -9.908
  348    HB2  MET  45           HB2      MET  45   5.033  33.072  -8.402
  349    HB3  MET  45           HB3      MET  45   5.166  31.997  -7.000
  350    HG2  MET  45           HG2      MET  45   7.502  31.433  -7.724
  351    HG3  MET  45           HG3      MET  45   7.341  32.598  -9.043
  352    HE1  MET  45           HE1      MET  45   9.581  33.733  -8.223
  353    HE2  MET  45           HE2      MET  45   9.906  34.146  -6.523
  354    HE3  MET  45           HE3      MET  45   9.653  32.448  -7.001
  355    H    GLY  46           H        GLY  46   7.225  29.605  -9.576
  356    HA2  GLY  46           HA2      GLY  46   7.243  28.038  -7.112
  357    HA3  GLY  46           HA3      GLY  46   6.955  27.094  -8.581
  358    H    LYS  47           H        LYS  47   9.110  26.540  -7.126
  359    HA   LYS  47           HA       LYS  47  11.404  27.670  -8.664
  360    HB2  LYS  47           HB2      LYS  47  11.499  27.402  -6.040
  361    HB3  LYS  47           HB3      LYS  47  11.587  25.679  -6.360
  362    HG2  LYS  47           HG2      LYS  47  13.841  26.362  -6.156
  363    HG3  LYS  47           HG3      LYS  47  13.592  26.188  -7.889
  364    HD2  LYS  47           HD2      LYS  47  14.838  28.193  -7.574
  365    HD3  LYS  47           HD3      LYS  47  13.206  28.714  -7.993
  366    HE2  LYS  47           HE2      LYS  47  12.690  29.248  -5.691
  367    HE3  LYS  47           HE3      LYS  47  14.187  28.500  -5.119
  368    HZ1  LYS  47           HZ1      LYS  47  15.444  30.227  -6.155
  369    HZ2  LYS  47           HZ2      LYS  47  14.151  30.864  -6.915
  370    HZ3  LYS  47           HZ3      LYS  47  14.281  30.957  -5.279
  371    H    TRP  48           H        TRP  48  12.110  26.455 -10.345
  372    HA   TRP  48           HA       TRP  48  11.062  23.702 -10.743
  373    HB2  TRP  48           HB2      TRP  48  11.030  25.299 -12.649
  374    HB3  TRP  48           HB3      TRP  48  12.761  25.505 -12.510
  375    HD1  TRP  48           HD1      TRP  48  12.071  21.931 -12.075
  376    HE1  TRP  48           HE1      TRP  48  12.438  20.602 -14.183
  377    HE3  TRP  48           HE3      TRP  48  12.263  25.811 -15.395
  378    HZ2  TRP  48           HZ2      TRP  48  12.671  21.132 -17.045
  379    HZ3  TRP  48           HZ3      TRP  48  12.509  25.366 -17.822
  380    HH2  TRP  48           HH2      TRP  48  12.700  23.033 -18.656
  381    H    LYS  49           H        LYS  49  12.176  22.344  -9.425
  382    HA   LYS  49           HA       LYS  49  15.055  22.624  -8.883
  383    HB2  LYS  49           HB2      LYS  49  12.755  20.980  -7.743
  384    HB3  LYS  49           HB3      LYS  49  14.432  20.478  -7.512
  385    HG2  LYS  49           HG2      LYS  49  15.018  22.582  -6.480
  386    HG3  LYS  49           HG3      LYS  49  13.366  23.204  -6.697
  387    HD2  LYS  49           HD2      LYS  49  12.466  21.636  -5.136
  388    HD3  LYS  49           HD3      LYS  49  13.933  20.630  -5.165
  389    HE2  LYS  49           HE2      LYS  49  15.245  22.370  -4.103
  390    HE3  LYS  49           HE3      LYS  49  13.876  23.498  -4.150
  391    HZ1  LYS  49           HZ1      LYS  49  13.931  20.980  -2.590
  392    HZ2  LYS  49           HZ2      LYS  49  14.090  22.483  -1.974
  393    HZ3  LYS  49           HZ3      LYS  49  12.669  22.035  -2.655
  394    H    LYS  50           H        LYS  50  15.184  22.437 -11.303
  395    HA   LYS  50           HA       LYS  50  14.341  20.131 -12.725
  396    HB2  LYS  50           HB2      LYS  50  15.107  22.325 -13.707
  397    HB3  LYS  50           HB3      LYS  50  16.778  21.855 -13.364
  398    HG2  LYS  50           HG2      LYS  50  16.558  19.888 -14.828
  399    HG3  LYS  50           HG3      LYS  50  14.835  20.203 -15.051
  400    HD2  LYS  50           HD2      LYS  50  15.352  22.367 -16.152
  401    HD3  LYS  50           HD3      LYS  50  17.083  22.069 -15.949
  402    HE2  LYS  50           HE2      LYS  50  16.922  20.035 -17.354
  403    HE3  LYS  50           HE3      LYS  50  15.173  20.248 -17.491
  404    HZ1  LYS  50           HZ1      LYS  50  17.190  22.144 -18.564
  405    HZ2  LYS  50           HZ2      LYS  50  16.313  21.087 -19.443
  406    HZ3  LYS  50           HZ3      LYS  50  15.569  22.319 -18.685
  407    H    LYS  51           H        LYS  51  14.812  18.085 -12.141
  408    HA   LYS  51           HA       LYS  51  17.301  17.293 -10.860
  409    HB2  LYS  51           HB2      LYS  51  15.071  16.280 -10.393
  410    HB3  LYS  51           HB3      LYS  51  14.918  15.808 -12.078
  411    HG2  LYS  51           HG2      LYS  51  15.401  13.893 -10.750
  412    HG3  LYS  51           HG3      LYS  51  16.762  14.187 -11.827
  413    HD2  LYS  51           HD2      LYS  51  18.102  15.072  -9.994
  414    HD3  LYS  51           HD3      LYS  51  16.697  15.057  -8.901
  415    HE2  LYS  51           HE2      LYS  51  16.532  12.632  -9.019
  416    HE3  LYS  51           HE3      LYS  51  17.810  12.553 -10.235
  417    HZ1  LYS  51           HZ1      LYS  51  18.231  13.513  -7.462
  418    HZ2  LYS  51           HZ2      LYS  51  18.588  12.013  -7.994
  419    HZ3  LYS  51           HZ3      LYS  51  19.388  13.289  -8.622
  420    H    SER  52           H        SER  52  15.986  17.402 -14.118
  421    HA   SER  52           HA       SER  52  17.863  15.650 -15.344
  422    HB2  SER  52           HB2      SER  52  16.090  17.777 -16.599
  423    HB3  SER  52           HB3      SER  52  16.682  16.285 -17.353
  424    HG   SER  52           HG       SER  52  15.383  15.104 -15.959
  425    H    ARG  53           H        ARG  53  19.589  17.260 -13.964
  426    HA   ARG  53           HA       ARG  53  21.038  18.687 -16.107
  427    HB2  ARG  53           HB2      ARG  53  20.325  19.857 -13.375
  428    HB3  ARG  53           HB3      ARG  53  21.674  20.459 -14.320
  429    HG2  ARG  53           HG2      ARG  53  18.780  20.513 -15.251
  430    HG3  ARG  53           HG3      ARG  53  19.635  21.839 -14.485
  431    HD2  ARG  53           HD2      ARG  53  19.744  22.396 -16.727
  432    HD3  ARG  53           HD3      ARG  53  21.342  21.718 -16.387
  433    HE   ARG  53           HE       ARG  53  19.528  19.683 -17.315
  434   HH11  ARG  53          HH21      ARG  53  21.456  22.396 -18.564
  435   HH12  ARG  53          HH22      ARG  53  21.635  21.719 -20.139
  436   HH21  ARG  53          HH11      ARG  53  19.760  18.788 -19.375
  437   HH22  ARG  53          HH12      ARG  53  20.634  19.610 -20.615
  438    H    LYS  54           H        LYS  54  23.274  19.057 -15.474
  439    HA   LYS  54           HA       LYS  54  25.289  18.170 -15.183
  440    HB2  LYS  54           HB2      LYS  54  25.035  18.821 -12.873
  441    HB3  LYS  54           HB3      LYS  54  24.171  17.325 -12.501
  442    HG2  LYS  54           HG2      LYS  54  26.193  16.005 -13.040
  443    HG3  LYS  54           HG3      LYS  54  27.083  17.490 -13.381
  444    HD2  LYS  54           HD2      LYS  54  27.293  18.045 -11.165
  445    HD3  LYS  54           HD3      LYS  54  25.709  17.425 -10.716
  446    HE2  LYS  54           HE2      LYS  54  28.134  15.673 -11.307
  447    HE3  LYS  54           HE3      LYS  54  27.597  16.165  -9.696
  448    HZ1  LYS  54           HZ1      LYS  54  26.705  14.020 -10.152
  449    HZ2  LYS  54           HZ2      LYS  54  25.440  15.068 -10.211
  450    HZ3  LYS  54           HZ3      LYS  54  26.058  14.471 -11.587
  451    H    THR  55           H        THR  55  23.427  15.582 -13.580
  452    HA   THR  55           HA       THR  55  23.753  13.777 -15.875
  453    HB   THR  55           HB       THR  55  24.513  11.961 -14.227
  454    HG1  THR  55           HG1      THR  55  25.123  12.512 -12.307
  455   HG21  THR  55          HG21      THR  55  26.562  14.160 -14.733
  456   HG22  THR  55          HG22      THR  55  26.875  12.436 -14.460
  457   HG23  THR  55          HG23      THR  55  26.043  12.957 -15.936
  458    H    SER  56           H        SER  56  22.782  13.986 -12.421
  459    HA   SER  56           HA       SER  56  19.954  13.948 -13.025
  460    HB2  SER  56           HB2      SER  56  21.256  11.544 -11.652
  461    HB3  SER  56           HB3      SER  56  19.521  11.899 -11.593
  462    HG   SER  56           HG       SER  56  20.681  11.873 -14.109
  463    H    THR  57           H        THR  57  21.139  16.039 -12.007
  464    HA   THR  57           HA       THR  57  21.058  15.822  -9.028
  465    HB   THR  57           HB       THR  57  23.036  17.455 -10.648
  466    HG1  THR  57           HG1      THR  57  23.199  14.821  -9.642
  467   HG21  THR  57          HG21      THR  57  24.345  17.446  -8.543
  468   HG22  THR  57          HG22      THR  57  22.778  18.243  -8.351
  469   HG23  THR  57          HG23      THR  57  23.017  16.592  -7.727
  470    H    ILE  58           H        ILE  58  20.265  17.677  -7.960
  471    HA   ILE  58           HA       ILE  58  18.207  19.063  -9.426
  472    HB   ILE  58           HB       ILE  58  19.267  19.480  -6.611
  473   HG12  ILE  58          HG12      ILE  58  18.353  17.213  -6.881
  474   HG13  ILE  58          HG13      ILE  58  17.389  18.194  -5.798
  475   HG21  ILE  58          HG21      ILE  58  17.007  20.563  -6.178
  476   HG22  ILE  58          HG22      ILE  58  18.095  21.488  -7.209
  477   HG23  ILE  58          HG23      ILE  58  16.763  20.582  -7.942
  478   HD11  ILE  58          HD11      ILE  58  15.989  16.798  -7.260
  479   HD12  ILE  58          HD12      ILE  58  15.673  18.511  -7.543
  480   HD13  ILE  58          HD13      ILE  58  16.660  17.588  -8.696
  481    H    GLU  59           H        GLU  59  18.191  21.058 -10.232
  482    HA   GLU  59           HA       GLU  59  20.260  23.055  -9.564
  483    HB2  GLU  59           HB2      GLU  59  20.859  22.078 -11.770
  484    HB3  GLU  59           HB3      GLU  59  19.207  22.364 -12.336
  485    HG2  GLU  59           HG2      GLU  59  20.747  24.079 -13.173
  486    HG3  GLU  59           HG3      GLU  59  19.506  24.775 -12.139
  487    H    GLU  60           H        GLU  60  19.243  25.222  -9.682
  488    HA   GLU  60           HA       GLU  60  16.276  25.011  -9.278
  489    HB2  GLU  60           HB2      GLU  60  18.394  26.470  -7.663
  490    HB3  GLU  60           HB3      GLU  60  16.655  26.767  -7.514
  491    HG2  GLU  60           HG2      GLU  60  16.266  24.407  -6.961
  492    HG3  GLU  60           HG3      GLU  60  17.995  24.067  -7.083
  493    H    LYS  61           H        LYS  61  15.155  26.139 -10.683
  494    HA   LYS  61           HA       LYS  61  16.180  28.835 -11.570
  495    HB2  LYS  61           HB2      LYS  61  14.456  26.760 -12.989
  496    HB3  LYS  61           HB3      LYS  61  14.672  28.408 -13.574
  497    HG2  LYS  61           HG2      LYS  61  16.931  28.062 -14.138
  498    HG3  LYS  61           HG3      LYS  61  17.101  26.673 -13.069
  499    HD2  LYS  61           HD2      LYS  61  17.088  25.831 -15.308
  500    HD3  LYS  61           HD3      LYS  61  15.623  25.318 -14.484
  501    HE2  LYS  61           HE2      LYS  61  15.073  25.890 -16.740
  502    HE3  LYS  61           HE3      LYS  61  14.319  27.071 -15.667
  503    HZ1  LYS  61           HZ1      LYS  61  15.455  27.972 -17.694
  504    HZ2  LYS  61           HZ2      LYS  61  15.878  28.695 -16.302
  505    HZ3  LYS  61           HZ3      LYS  61  16.897  27.606 -17.024
  506    H    THR  62           H        THR  62  14.619  30.508 -11.417
  507    HA   THR  62           HA       THR  62  12.281  29.850  -9.678
  508    HB   THR  62           HB       THR  62  13.507  32.567 -10.298
  509    HG1  THR  62           HG1      THR  62  15.032  31.441  -9.185
  510   HG21  THR  62          HG21      THR  62  12.324  33.221  -8.228
  511   HG22  THR  62          HG22      THR  62  11.188  32.624  -9.450
  512   HG23  THR  62          HG23      THR  62  11.646  31.579  -8.087
  513    H    VAL  63           H        VAL  63  10.266  29.774 -10.646
  514    HA   VAL  63           HA       VAL  63  10.047  30.970 -13.347
  515    HB   VAL  63           HB       VAL  63   9.208  28.946 -14.272
  516   HG11  VAL  63          HG11      VAL  63  11.769  28.147 -12.828
  517   HG12  VAL  63          HG12      VAL  63  11.148  27.540 -14.370
  518   HG13  VAL  63          HG13      VAL  63  11.715  29.206 -14.247
  519   HG21  VAL  63          HG21      VAL  63   8.104  27.924 -12.291
  520   HG22  VAL  63          HG22      VAL  63   9.162  26.788 -13.125
  521   HG23  VAL  63          HG23      VAL  63   9.699  27.539 -11.609
  522    H    GLU  64           H        GLU  64   7.941  31.212 -14.112
  523    HA   GLU  64           HA       GLU  64   5.776  31.183 -12.051
  524    HB2  GLU  64           HB2      GLU  64   6.248  33.389 -13.180
  525    HB3  GLU  64           HB3      GLU  64   5.832  32.644 -14.730
  526    HG2  GLU  64           HG2      GLU  64   3.559  32.121 -13.870
  527    HG3  GLU  64           HG3      GLU  64   3.999  32.751 -12.286
  528    H    VAL  65           H        VAL  65   4.531  29.410 -12.238
  529    HA   VAL  65           HA       VAL  65   4.646  27.605 -14.555
  530    HB   VAL  65           HB       VAL  65   3.057  27.575 -11.934
  531   HG11  VAL  65          HG11      VAL  65   2.573  25.177 -12.586
  532   HG12  VAL  65          HG12      VAL  65   1.759  26.387 -13.580
  533   HG13  VAL  65          HG13      VAL  65   3.199  25.567 -14.206
  534   HG21  VAL  65          HG21      VAL  65   4.549  25.686 -11.331
  535   HG22  VAL  65          HG22      VAL  65   5.474  25.936 -12.819
  536   HG23  VAL  65          HG23      VAL  65   5.456  27.183 -11.552
  537    H    LEU  66           H        LEU  66   3.505  28.263 -16.316
  538    HA   LEU  66           HA       LEU  66   1.371  30.257 -16.053
  539    HB2  LEU  66           HB2      LEU  66   2.874  28.928 -18.299
  540    HB3  LEU  66           HB3      LEU  66   1.271  29.568 -18.645
  541    HG   LEU  66           HG       LEU  66   1.864  31.792 -17.942
  542   HD11  LEU  66          HD11      LEU  66   4.192  32.413 -17.313
  543   HD12  LEU  66          HD12      LEU  66   3.426  31.384 -16.104
  544   HD13  LEU  66          HD13      LEU  66   4.613  30.688 -17.230
  545   HD21  LEU  66          HD21      LEU  66   4.023  30.622 -19.745
  546   HD22  LEU  66          HD22      LEU  66   2.391  31.101 -20.259
  547   HD23  LEU  66          HD23      LEU  66   3.528  32.327 -19.674
  548    H    GLY  67           H        GLY  67   1.568  26.714 -16.559
  549    HA2  GLY  67           HA2      GLY  67  -0.894  26.138 -15.531
  550    HA3  GLY  67           HA3      GLY  67  -1.174  26.356 -17.274
  551    H    MET  68           H        MET  68  -1.674  23.942 -16.528
  552    HA   MET  68           HA       MET  68   0.574  22.095 -16.583
  553    HB2  MET  68           HB2      MET  68  -2.378  21.688 -17.170
  554    HB3  MET  68           HB3      MET  68  -1.150  20.410 -17.181
  555    HG2  MET  68           HG2      MET  68  -0.550  20.991 -14.818
  556    HG3  MET  68           HG3      MET  68  -1.851  22.183 -14.810
  557    HE1  MET  68           HE1      MET  68  -2.380  17.593 -14.807
  558    HE2  MET  68           HE2      MET  68  -1.457  18.432 -16.071
  559    HE3  MET  68           HE3      MET  68  -0.867  18.432 -14.394
  560    H    ALA  69           H        ALA  69   1.252  20.841 -18.336
  561    HA   ALA  69           HA       ALA  69   1.355  22.123 -20.947
  562    HB1  ALA  69           HB1      ALA  69   3.170  20.664 -19.954
  563    HB2  ALA  69           HB2      ALA  69   2.049  19.281 -20.108
  564    HB3  ALA  69           HB3      ALA  69   2.637  20.119 -21.549
  565    HA   PRO  70           HA       PRO  70  -2.232  20.226 -22.897
  566    HB2  PRO  70           HB2      PRO  70  -0.322  18.732 -24.705
  567    HB3  PRO  70           HB3      PRO  70  -1.824  19.609 -25.135
  568    HG2  PRO  70           HG2      PRO  70   0.588  20.773 -25.550
  569    HG3  PRO  70           HG3      PRO  70  -0.753  21.733 -24.843
  570    HD2  PRO  70           HD2      PRO  70   1.570  20.418 -23.432
  571    HD3  PRO  70           HD3      PRO  70   0.875  22.048 -23.174
  572    H    ASP  71           H        ASP  71  -3.449  18.319 -22.725
  573    HA   ASP  71           HA       ASP  71  -2.673  16.388 -20.841
  574    HB2  ASP  71           HB2      ASP  71  -4.684  15.282 -21.282
  575    HB3  ASP  71           HB3      ASP  71  -5.037  16.978 -21.573
  576    H    ASP  72           H        ASP  72  -2.228  16.445 -24.354
  577    HA   ASP  72           HA       ASP  72  -1.605  13.712 -24.756
  578    HB2  ASP  72           HB2      ASP  72  -2.159  15.299 -26.559
  579    HB3  ASP  72           HB3      ASP  72  -0.652  16.172 -26.264
  580    H    GLU  73           H        GLU  73   0.330  16.302 -23.373
  581    HA   GLU  73           HA       GLU  73   2.888  14.837 -23.642
  582    HB2  GLU  73           HB2      GLU  73   2.143  17.287 -21.971
  583    HB3  GLU  73           HB3      GLU  73   3.759  16.640 -22.182
  584    HG2  GLU  73           HG2      GLU  73   2.012  17.886 -24.345
  585    HG3  GLU  73           HG3      GLU  73   3.413  18.615 -23.574
  586    H    CYS  74           H        CYS  74   0.197  15.258 -21.397
  587    HA   CYS  74           HA       CYS  74   1.707  14.377 -19.092
  588    HB2  CYS  74           HB2      CYS  74  -1.219  15.132 -19.407
  589    HB3  CYS  74           HB3      CYS  74  -0.373  14.852 -17.876
  590    HG   CYS  74           HG       CYS  74   0.156  17.156 -20.203
  591    H    LEU  75           H        LEU  75   1.361  12.363 -21.232
  592    HA   LEU  75           HA       LEU  75  -0.522  10.378 -20.145
  593    HB2  LEU  75           HB2      LEU  75   1.141  10.715 -22.619
  594    HB3  LEU  75           HB3      LEU  75   0.992   9.069 -22.069
  595    HG   LEU  75           HG       LEU  75  -0.648   9.542 -23.716
  596   HD11  LEU  75          HD11      LEU  75  -2.118   9.239 -21.061
  597   HD12  LEU  75          HD12      LEU  75  -2.615   8.653 -22.655
  598   HD13  LEU  75          HD13      LEU  75  -1.200   7.944 -21.860
  599   HD21  LEU  75          HD21      LEU  75  -2.531  11.097 -23.361
  600   HD22  LEU  75          HD22      LEU  75  -1.767  11.666 -21.860
  601   HD23  LEU  75          HD23      LEU  75  -0.967  11.925 -23.412
  602    H    LYS  76           H        LYS  76   2.746  11.187 -19.612
  603    HA   LYS  76           HA       LYS  76   3.375   8.466 -18.502
  604    HB2  LYS  76           HB2      LYS  76   5.187  10.243 -20.178
  605    HB3  LYS  76           HB3      LYS  76   5.673   8.747 -19.374
  606    HG2  LYS  76           HG2      LYS  76   3.985   7.484 -20.716
  607    HG3  LYS  76           HG3      LYS  76   3.589   8.979 -21.589
  608    HD2  LYS  76           HD2      LYS  76   5.933   9.154 -22.372
  609    HD3  LYS  76           HD3      LYS  76   6.331   7.649 -21.510
  610    HE2  LYS  76           HE2      LYS  76   4.645   6.430 -22.874
  611    HE3  LYS  76           HE3      LYS  76   4.255   7.924 -23.734
  612    HZ1  LYS  76           HZ1      LYS  76   6.894   6.576 -23.776
  613    HZ2  LYS  76           HZ2      LYS  76   5.803   6.563 -24.983
  614    HZ3  LYS  76           HZ3      LYS  76   6.533   7.959 -24.571
  615    H    ASP  77           H        ASP  77   3.531  11.905 -17.997
  616    HA   ASP  77           HA       ASP  77   4.359  11.606 -15.266
  617    HB2  ASP  77           HB2      ASP  77   6.532  11.913 -16.784
  618    HB3  ASP  77           HB3      ASP  77   5.979  13.576 -16.902
  619    H    MET  78           H        MET  78   4.172  14.120 -14.451
  620    HA   MET  78           HA       MET  78   1.864  15.360 -15.926
  621    HB2  MET  78           HB2      MET  78   2.812  15.623 -13.049
  622    HB3  MET  78           HB3      MET  78   1.670  16.745 -13.801
  623    HG2  MET  78           HG2      MET  78   1.241  13.751 -13.505
  624    HG3  MET  78           HG3      MET  78   0.593  14.980 -12.439
  625    HE1  MET  78           HE1      MET  78  -0.412  12.529 -14.804
  626    HE2  MET  78           HE2      MET  78  -1.296  13.284 -16.143
  627    HE3  MET  78           HE3      MET  78   0.470  13.421 -16.066
  628    H    TYR  79           H        TYR  79   2.227  17.440 -16.781
  629    HA   TYR  79           HA       TYR  79   4.963  18.568 -16.445
  630    HB2  TYR  79           HB2      TYR  79   3.493  18.021 -19.041
  631    HB3  TYR  79           HB3      TYR  79   4.923  19.029 -18.912
  632    HD1  TYR  79           HD1      TYR  79   7.151  18.038 -18.468
  633    HD2  TYR  79           HD2      TYR  79   3.637  15.592 -18.979
  634    HE1  TYR  79           HE1      TYR  79   8.582  16.100 -19.051
  635    HE2  TYR  79           HE2      TYR  79   5.051  13.656 -19.550
  636    HH   TYR  79           HH       TYR  79   7.233  12.873 -19.860
  637    H    VAL  80           H        VAL  80   5.120  20.783 -17.014
  638    HA   VAL  80           HA       VAL  80   2.610  22.362 -17.071
  639    HB   VAL  80           HB       VAL  80   3.819  23.806 -15.282
  640   HG11  VAL  80          HG11      VAL  80   2.699  22.620 -13.430
  641   HG12  VAL  80          HG12      VAL  80   1.675  22.772 -14.850
  642   HG13  VAL  80          HG13      VAL  80   2.448  21.209 -14.485
  643   HG21  VAL  80          HG21      VAL  80   5.029  21.131 -14.470
  644   HG22  VAL  80          HG22      VAL  80   5.930  22.490 -15.177
  645   HG23  VAL  80          HG23      VAL  80   5.133  22.679 -13.609
  646    H    GLU  81           H        GLU  81   2.838  24.359 -18.000
  647    HA   GLU  81           HA       GLU  81   5.275  24.861 -19.587
  648    HB2  GLU  81           HB2      GLU  81   2.583  26.300 -19.398
  649    HB3  GLU  81           HB3      GLU  81   3.943  26.815 -20.406
  650    HG2  GLU  81           HG2      GLU  81   3.865  24.582 -21.572
  651    HG3  GLU  81           HG3      GLU  81   2.401  24.199 -20.664
  652    H    VAL  82           H        VAL  82   6.751  26.404 -18.870
  653    HA   VAL  82           HA       VAL  82   6.034  28.025 -16.493
  654    HB   VAL  82           HB       VAL  82   8.009  27.396 -15.317
  655   HG11  VAL  82          HG11      VAL  82   6.738  24.778 -16.177
  656   HG12  VAL  82          HG12      VAL  82   7.519  25.158 -14.632
  657   HG13  VAL  82          HG13      VAL  82   5.983  25.926 -15.062
  658   HG21  VAL  82          HG21      VAL  82   9.608  26.947 -17.117
  659   HG22  VAL  82          HG22      VAL  82   9.527  25.576 -16.015
  660   HG23  VAL  82          HG23      VAL  82   8.706  25.487 -17.589
  661    H    ALA  83           H        ALA  83   7.214  29.979 -16.290
  662    HA   ALA  83           HA       ALA  83   8.896  30.737 -18.656
  663    HB1  ALA  83           HB1      ALA  83   8.028  33.018 -18.324
  664    HB2  ALA  83           HB2      ALA  83   6.703  31.884 -18.658
  665    HB3  ALA  83           HB3      ALA  83   6.991  32.452 -16.997
  666    H    ASP  84           H        ASP  84  10.962  31.227 -18.073
  667    HA   ASP  84           HA       ASP  84  11.709  31.072 -15.252
  668    HB2  ASP  84           HB2      ASP  84  13.067  30.063 -17.083
  669    HB3  ASP  84           HB3      ASP  84  13.483  31.688 -17.639
  670    H    ILE  85           H        ILE  85  11.453  32.724 -13.950
  671    HA   ILE  85           HA       ILE  85  10.795  35.354 -14.880
  672    HB   ILE  85           HB       ILE  85  11.426  34.353 -12.087
  673   HG12  ILE  85          HG12      ILE  85   8.704  34.613 -13.460
  674   HG13  ILE  85          HG13      ILE  85   9.544  33.098 -13.180
  675   HG21  ILE  85          HG21      ILE  85  10.132  36.279 -11.273
  676   HG22  ILE  85          HG22      ILE  85  11.446  36.853 -12.271
  677   HG23  ILE  85          HG23      ILE  85   9.798  36.786 -12.943
  678   HD11  ILE  85          HD11      ILE  85   8.418  34.924 -11.031
  679   HD12  ILE  85          HD12      ILE  85   7.875  33.314 -11.480
  680   HD13  ILE  85          HD13      ILE  85   9.456  33.510 -10.713
  681    H    GLY  86           H        GLY  86  13.822  33.785 -13.878
  682    HA2  GLY  86           HA2      GLY  86  15.236  36.371 -13.516
  683    HA3  GLY  86           HA3      GLY  86  15.876  34.737 -13.274
  684    H    GLY  87           H        GLY  87  15.014  33.570 -15.707
  685    HA2  GLY  87           HA2      GLY  87  17.242  34.203 -17.346
  686    HA3  GLY  87           HA3      GLY  87  15.924  33.087 -17.732
  687    H    LYS  88           H        LYS  88  13.691  34.773 -17.883
  688    HA   LYS  88           HA       LYS  88  14.377  36.798 -19.964
  689    HB2  LYS  88           HB2      LYS  88  12.650  34.319 -20.420
  690    HB3  LYS  88           HB3      LYS  88  12.653  35.712 -21.491
  691    HG2  LYS  88           HG2      LYS  88  15.083  33.959 -20.948
  692    HG3  LYS  88           HG3      LYS  88  13.998  33.817 -22.325
  693    HD2  LYS  88           HD2      LYS  88  14.572  36.100 -23.072
  694    HD3  LYS  88           HD3      LYS  88  15.689  36.277 -21.703
  695    HE2  LYS  88           HE2      LYS  88  16.986  34.318 -22.504
  696    HE3  LYS  88           HE3      LYS  88  15.883  34.144 -23.875
  697    HZ1  LYS  88           HZ1      LYS  88  17.882  35.342 -24.493
  698    HZ2  LYS  88           HZ2      LYS  88  16.599  36.333 -24.644
  699    HZ3  LYS  88           HZ3      LYS  88  17.619  36.494 -23.374
  700    H    ASP  89           H        ASP  89  11.809  35.213 -18.014
  701    HA   ASP  89           HA       ASP  89   9.708  35.764 -17.525
  702    HB2  ASP  89           HB2      ASP  89  10.965  37.386 -16.131
  703    HB3  ASP  89           HB3      ASP  89  10.752  38.606 -17.384
  704    H    ASP  90           H        ASP  90  10.511  35.820 -20.386
  705    HA   ASP  90           HA       ASP  90   8.160  37.106 -21.614
  706    HB2  ASP  90           HB2      ASP  90   9.971  38.847 -21.439
  707    HB3  ASP  90           HB3      ASP  90  11.030  37.797 -22.379
  708    H    ASP  91           H        ASP  91   9.623  34.329 -21.221
  709    HA   ASP  91           HA       ASP  91   9.027  33.298 -23.855
  710    HB2  ASP  91           HB2      ASP  91  11.469  33.897 -24.046
  711    HB3  ASP  91           HB3      ASP  91  11.793  32.848 -22.660
  712    H    VAL  92           H        VAL  92   8.964  30.835 -23.672
  713    HA   VAL  92           HA       VAL  92   8.343  30.007 -20.889
  714    HB   VAL  92           HB       VAL  92   6.512  29.647 -23.278
  715   HG11  VAL  92          HG11      VAL  92   6.179  27.911 -21.565
  716   HG12  VAL  92          HG12      VAL  92   6.018  29.160 -20.309
  717   HG13  VAL  92          HG13      VAL  92   4.807  29.009 -21.600
  718   HG21  VAL  92          HG21      VAL  92   4.978  31.282 -22.162
  719   HG22  VAL  92          HG22      VAL  92   6.277  31.670 -21.013
  720   HG23  VAL  92          HG23      VAL  92   6.459  32.026 -22.746
  721    H    TYR  93           H        TYR  93   8.472  27.878 -20.530
  722    HA   TYR  93           HA       TYR  93   9.698  26.024 -22.507
  723    HB2  TYR  93           HB2      TYR  93  10.432  26.314 -19.564
  724    HB3  TYR  93           HB3      TYR  93  11.254  25.345 -20.771
  725    HD1  TYR  93           HD2      TYR  93  12.754  26.419 -22.457
  726    HD2  TYR  93           HD1      TYR  93  10.831  28.706 -19.344
  727    HE1  TYR  93           HE2      TYR  93  14.336  28.284 -22.856
  728    HE2  TYR  93           HE1      TYR  93  12.398  30.585 -19.749
  729    HH   TYR  93           HH       TYR  93  14.235  31.338 -20.959
  730    H    THR  94           H        THR  94   9.733  23.754 -21.142
  731    HA   THR  94           HA       THR  94   7.174  23.448 -19.650
  732    HB   THR  94           HB       THR  94   8.080  21.261 -21.520
  733    HG1  THR  94           HG1      THR  94   7.726  23.083 -22.819
  734   HG21  THR  94          HG21      THR  94   5.345  22.031 -20.412
  735   HG22  THR  94          HG22      THR  94   5.720  20.607 -21.409
  736   HG23  THR  94          HG23      THR  94   6.390  20.741 -19.776
  737    H    ALA  95           H        ALA  95   7.334  22.229 -17.879
  738    HA   ALA  95           HA       ALA  95   9.924  20.912 -17.206
  739    HB1  ALA  95           HB1      ALA  95   8.174  22.707 -15.452
  740    HB2  ALA  95           HB2      ALA  95   9.601  21.818 -14.903
  741    HB3  ALA  95           HB3      ALA  95   9.771  23.122 -16.098
  742    H    LYS  96           H        LYS  96   9.597  19.304 -15.439
  743    HA   LYS  96           HA       LYS  96   7.074  17.775 -15.749
  744    HB2  LYS  96           HB2      LYS  96   9.604  17.298 -14.092
  745    HB3  LYS  96           HB3      LYS  96   8.157  16.312 -14.026
  746    HG2  LYS  96           HG2      LYS  96   9.677  15.110 -15.313
  747    HG3  LYS  96           HG3      LYS  96   8.415  15.682 -16.382
  748    HD2  LYS  96           HD2      LYS  96  10.592  15.772 -17.462
  749    HD3  LYS  96           HD3      LYS  96   9.921  17.380 -17.317
  750    HE2  LYS  96           HE2      LYS  96  12.335  17.343 -16.910
  751    HE3  LYS  96           HE3      LYS  96  11.474  17.922 -15.486
  752    HZ1  LYS  96           HZ1      LYS  96  13.336  16.263 -15.191
  753    HZ2  LYS  96           HZ2      LYS  96  11.979  16.002 -14.328
  754    HZ3  LYS  96           HZ3      LYS  96  12.306  15.102 -15.695
  755    H    LEU  97           H        LEU  97   5.527  17.815 -14.101
  756    HA   LEU  97           HA       LEU  97   5.630  19.866 -12.056
  757    HB2  LEU  97           HB2      LEU  97   3.512  18.803 -13.008
  758    HB3  LEU  97           HB3      LEU  97   3.940  17.338 -12.116
  759    HG   LEU  97           HG       LEU  97   3.819  18.643  -9.966
  760   HD11  LEU  97          HD11      LEU  97   4.241  20.927 -10.724
  761   HD12  LEU  97          HD12      LEU  97   2.843  20.863 -11.823
  762   HD13  LEU  97          HD13      LEU  97   2.605  20.866 -10.072
  763   HD21  LEU  97          HD21      LEU  97   1.317  18.754 -11.694
  764   HD22  LEU  97          HD22      LEU  97   1.901  17.335 -10.791
  765   HD23  LEU  97          HD23      LEU  97   1.371  18.778  -9.917
  766    H    SER  98           H        SER  98   6.634  16.511 -12.392
  767    HA   SER  98           HA       SER  98   7.295  15.847  -9.720
  768    HB2  SER  98           HB2      SER  98   8.507  14.963 -12.378
  769    HB3  SER  98           HB3      SER  98   8.683  14.123 -10.840
  770    HG   SER  98           HG       SER  98   6.649  13.976 -12.605
  771    H    ASP  99           H        ASP  99   8.659  18.364 -11.575
  772    HA   ASP  99           HA       ASP  99  11.214  18.294 -10.030
  773    HB2  ASP  99           HB2      ASP  99  10.653  19.242 -12.874
  774    HB3  ASP  99           HB3      ASP  99  12.072  19.709 -11.961
  775    H    ILE 100           H        ILE 100   8.279  19.638  -9.771
  776    HA   ILE 100           HA       ILE 100   9.257  22.449  -9.525
  777    HB   ILE 100           HB       ILE 100   6.751  21.256 -10.621
  778   HG12  ILE 100          HG12      ILE 100   8.782  22.236 -11.875
  779   HG13  ILE 100          HG13      ILE 100   7.158  22.645 -12.423
  780   HG21  ILE 100          HG21      ILE 100   5.495  23.374 -10.453
  781   HG22  ILE 100          HG22      ILE 100   5.709  22.576  -8.895
  782   HG23  ILE 100          HG23      ILE 100   6.694  23.999  -9.300
  783   HD11  ILE 100          HD11      ILE 100   7.327  24.870 -11.495
  784   HD12  ILE 100          HD12      ILE 100   8.861  24.471 -10.695
  785   HD13  ILE 100          HD13      ILE 100   8.764  24.534 -12.468
  786    H    GLU 101           H        GLU 101   8.770  23.588  -7.823
  787    HA   GLU 101           HA       GLU 101   7.294  22.379  -5.538
  788    HB2  GLU 101           HB2      GLU 101   9.751  22.138  -5.196
  789    HB3  GLU 101           HB3      GLU 101   9.954  23.879  -5.415
  790    HG2  GLU 101           HG2      GLU 101   8.435  24.256  -3.441
  791    HG3  GLU 101           HG3      GLU 101   8.339  22.507  -3.218
  792    H    ALA 102           H        ALA 102   5.489  23.691  -5.492
  793    HA   ALA 102           HA       ALA 102   5.478  26.303  -6.709
  794    HB1  ALA 102           HB1      ALA 102   3.454  24.967  -6.664
  795    HB2  ALA 102           HB2      ALA 102   3.454  24.948  -4.876
  796    HB3  ALA 102           HB3      ALA 102   3.197  26.459  -5.771
  797    H    ILE 103           H        ILE 103   5.191  28.307  -5.758
  798    HA   ILE 103           HA       ILE 103   6.061  28.618  -2.917
  799    HB   ILE 103           HB       ILE 103   6.639  30.290  -5.388
  800   HG12  ILE 103          HG12      ILE 103   8.616  28.865  -3.545
  801   HG13  ILE 103          HG13      ILE 103   8.031  28.160  -5.041
  802   HG21  ILE 103          HG21      ILE 103   6.279  31.753  -3.415
  803   HG22  ILE 103          HG22      ILE 103   7.482  30.813  -2.504
  804   HG23  ILE 103          HG23      ILE 103   7.958  31.772  -3.924
  805   HD11  ILE 103          HD11      ILE 103   9.686  30.697  -4.808
  806   HD12  ILE 103          HD12      ILE 103  10.159  29.140  -5.490
  807   HD13  ILE 103          HD13      ILE 103   8.935  30.116  -6.316
  808    H    ASP 104           H        ASP 104   4.725  29.731  -1.662
  809    HA   ASP 104           HA       ASP 104   2.892  30.729  -0.869
  810    HB2  ASP 104           HB2      ASP 104   4.403  32.553  -1.554
  811    HB3  ASP 104           HB3      ASP 104   3.531  32.698  -3.080
  812    H    VAL 105           H        VAL 105   2.066  28.633  -2.540
  813    HA   VAL 105           HA       VAL 105  -0.375  29.652  -3.904
  814    HB   VAL 105           HB       VAL 105  -0.709  27.310  -4.555
  815   HG11  VAL 105          HG11      VAL 105   1.975  28.454  -5.367
  816   HG12  VAL 105          HG12      VAL 105   1.021  27.248  -6.259
  817   HG13  VAL 105          HG13      VAL 105   0.381  28.880  -6.023
  818   HG21  VAL 105          HG21      VAL 105   0.952  25.596  -4.286
  819   HG22  VAL 105          HG22      VAL 105   2.031  26.692  -3.386
  820   HG23  VAL 105          HG23      VAL 105   0.468  26.193  -2.703
  821    H    ASP 106           H        ASP 106  -2.365  28.202  -3.427
  822    HA   ASP 106           HA       ASP 106  -3.016  28.334  -0.586
  823    HB2  ASP 106           HB2      ASP 106  -4.653  28.722  -2.518
  824    HB3  ASP 106           HB3      ASP 106  -4.536  26.973  -2.819
  825    H    ASP 107           H        ASP 107  -4.026  26.374   0.340
  826    HA   ASP 107           HA       ASP 107  -2.127  24.215   0.676
  827    HB2  ASP 107           HB2      ASP 107  -3.592  24.966   2.489
  828    HB3  ASP 107           HB3      ASP 107  -5.023  24.566   1.536
  829    H    ASP 108           H        ASP 108  -5.141  24.655  -1.272
  830    HA   ASP 108           HA       ASP 108  -5.389  21.863  -1.807
  831    HB2  ASP 108           HB2      ASP 108  -7.120  23.800  -1.994
  832    HB3  ASP 108           HB3      ASP 108  -6.462  24.041  -3.617
  833    H    THR 109           H        THR 109  -3.812  24.532  -3.646
  834    HA   THR 109           HA       THR 109  -2.986  22.961  -5.928
  835    HB   THR 109           HB       THR 109  -1.889  25.481  -4.611
  836    HG1  THR 109           HG1      THR 109  -3.361  26.529  -5.588
  837   HG21  THR 109          HG21      THR 109  -0.285  24.529  -6.297
  838   HG22  THR 109          HG22      THR 109  -1.575  24.627  -7.521
  839   HG23  THR 109          HG23      THR 109  -0.949  26.094  -6.770
  840    H    GLN 110           H        GLN 110  -1.439  23.903  -2.772
  841    HA   GLN 110           HA       GLN 110   1.003  22.618  -3.348
  842    HB2  GLN 110           HB2      GLN 110   0.634  24.356  -1.606
  843    HB3  GLN 110           HB3      GLN 110  -0.268  23.193  -0.642
  844    HG2  GLN 110           HG2      GLN 110   2.044  23.528   0.108
  845    HG3  GLN 110           HG3      GLN 110   1.719  21.844  -0.331
  846   HE21  GLN 110          HE22      GLN 110   2.708  20.983  -2.298
  847   HE22  GLN 110          HE21      GLN 110   4.141  21.755  -2.956
  848    H    GLU 111           H        GLU 111  -1.989  21.346  -1.804
  849    HA   GLU 111           HA       GLU 111  -0.862  18.810  -1.131
  850    HB2  GLU 111           HB2      GLU 111  -3.654  19.936  -1.423
  851    HB3  GLU 111           HB3      GLU 111  -3.473  18.190  -1.397
  852    HG2  GLU 111           HG2      GLU 111  -2.257  19.999   0.712
  853    HG3  GLU 111           HG3      GLU 111  -3.857  19.255   0.854
  854    H    ALA 112           H        ALA 112  -2.539  19.972  -4.095
  855    HA   ALA 112           HA       ALA 112  -2.676  17.412  -5.348
  856    HB1  ALA 112           HB1      ALA 112  -3.851  19.358  -6.219
  857    HB2  ALA 112           HB2      ALA 112  -2.315  20.175  -6.587
  858    HB3  ALA 112           HB3      ALA 112  -2.776  18.703  -7.468
  859    H    ILE 113           H        ILE 113  -0.083  19.866  -5.316
  860    HA   ILE 113           HA       ILE 113   1.757  18.452  -7.004
  861    HB   ILE 113           HB       ILE 113   2.118  20.572  -4.864
  862   HG12  ILE 113          HG12      ILE 113   2.360  20.998  -7.853
  863   HG13  ILE 113          HG13      ILE 113   0.772  21.010  -7.094
  864   HG21  ILE 113          HG21      ILE 113   4.261  19.454  -5.109
  865   HG22  ILE 113          HG22      ILE 113   4.160  19.544  -6.881
  866   HG23  ILE 113          HG23      ILE 113   4.363  21.016  -5.912
  867   HD11  ILE 113          HD11      ILE 113   3.070  22.807  -6.307
  868   HD12  ILE 113          HD12      ILE 113   1.617  23.273  -7.228
  869   HD13  ILE 113          HD13      ILE 113   1.473  22.767  -5.532
  870    H    ALA 114           H        ALA 114   1.520  18.724  -3.409
  871    HA   ALA 114           HA       ALA 114   3.747  17.103  -2.855
  872    HB1  ALA 114           HB1      ALA 114   2.863  16.997  -0.581
  873    HB2  ALA 114           HB2      ALA 114   2.674  18.633  -1.219
  874    HB3  ALA 114           HB3      ALA 114   1.266  17.547  -1.133
  875    H    ASP 115           H        ASP 115   0.265  16.227  -3.066
  876    HA   ASP 115           HA       ASP 115   0.453  13.496  -2.396
  877    HB2  ASP 115           HB2      ASP 115  -1.585  15.008  -2.626
  878    HB3  ASP 115           HB3      ASP 115  -1.519  14.693  -4.361
  879    H    TRP 116           H        TRP 116   0.935  15.180  -5.483
  880    HA   TRP 116           HA       TRP 116   1.224  12.782  -7.094
  881    HB2  TRP 116           HB2      TRP 116   0.606  14.812  -8.195
  882    HB3  TRP 116           HB3      TRP 116   1.965  15.695  -7.519
  883    HD1  TRP 116           HD1      TRP 116   4.164  15.730  -8.834
  884    HE1  TRP 116           HE1      TRP 116   5.115  14.529 -10.894
  885    HE3  TRP 116           HE3      TRP 116   0.409  12.356  -9.645
  886    HZ2  TRP 116           HZ2      TRP 116   4.204  12.605 -12.827
  887    HZ3  TRP 116           HZ3      TRP 116   0.477  10.835 -11.595
  888    HH2  TRP 116           HH2      TRP 116   2.380  10.947 -13.200
  889    H    LEU 117           H        LEU 117   3.521  14.945  -5.347
  890    HA   LEU 117           HA       LEU 117   5.865  13.561  -6.274
  891    HB2  LEU 117           HB2      LEU 117   5.393  15.363  -3.873
  892    HB3  LEU 117           HB3      LEU 117   6.971  14.726  -4.318
  893    HG   LEU 117           HG       LEU 117   5.282  16.472  -6.167
  894   HD11  LEU 117          HD11      LEU 117   7.640  17.239  -4.401
  895   HD12  LEU 117          HD12      LEU 117   6.811  18.293  -5.571
  896   HD13  LEU 117          HD13      LEU 117   5.943  17.705  -4.146
  897   HD21  LEU 117          HD21      LEU 117   6.858  15.109  -7.431
  898   HD22  LEU 117          HD22      LEU 117   7.407  16.785  -7.397
  899   HD23  LEU 117          HD23      LEU 117   8.187  15.582  -6.348
  900    H    TYR 118           H        TYR 118   3.680  13.024  -3.462
  901    HA   TYR 118           HA       TYR 118   5.346  10.938  -2.370
  902    HB2  TYR 118           HB2      TYR 118   2.353  11.361  -2.108
  903    HB3  TYR 118           HB3      TYR 118   3.284  10.149  -1.240
  904    HD1  TYR 118           HD2      TYR 118   5.431  11.076   0.100
  905    HD2  TYR 118           HD1      TYR 118   1.996  13.408  -1.023
  906    HE1  TYR 118           HE2      TYR 118   6.004  12.754   1.825
  907    HE2  TYR 118           HE1      TYR 118   2.563  15.112   0.626
  908    HH   TYR 118           HH       TYR 118   5.434  14.798   2.808
  909    H    TRP 119           H        TRP 119   2.686  10.890  -4.843
  910    HA   TRP 119           HA       TRP 119   2.789   8.072  -5.270
  911    HB2  TRP 119           HB2      TRP 119   0.950   8.981  -6.154
  912    HB3  TRP 119           HB3      TRP 119   1.739  10.452  -6.698
  913    HD1  TRP 119           HD1      TRP 119   3.351  10.127  -8.971
  914    HE1  TRP 119           HE1      TRP 119   2.849   8.836 -11.104
  915    HE3  TRP 119           HE3      TRP 119  -0.405   7.092  -7.238
  916    HZ2  TRP 119           HZ2      TRP 119   0.894   6.965 -12.026
  917    HZ3  TRP 119           HZ3      TRP 119  -1.731   5.745  -8.829
  918    HH2  TRP 119           HH2      TRP 119  -1.110   5.675 -11.242
  919    H    LEU 120           H        LEU 120   4.760  10.728  -6.703
  920    HA   LEU 120           HA       LEU 120   6.252   9.146  -8.502
  921    HB2  LEU 120           HB2      LEU 120   6.255  11.573  -8.520
  922    HB3  LEU 120           HB3      LEU 120   6.905  11.629  -6.894
  923    HG   LEU 120           HG       LEU 120   9.056  10.666  -7.694
  924   HD11  LEU 120          HD11      LEU 120   8.311   9.534  -9.760
  925   HD12  LEU 120          HD12      LEU 120   7.849  11.114 -10.464
  926   HD13  LEU 120          HD13      LEU 120   9.547  10.740 -10.120
  927   HD21  LEU 120          HD21      LEU 120   8.005  13.229  -8.962
  928   HD22  LEU 120          HD22      LEU 120   8.777  13.060  -7.374
  929   HD23  LEU 120          HD23      LEU 120   9.731  12.803  -8.842
  930    H    ALA 121           H        ALA 121   6.876   9.896  -5.010
  931    HA   ALA 121           HA       ALA 121   9.123   8.128  -4.790
  932    HB1  ALA 121           HB1      ALA 121   7.193   9.101  -2.638
  933    HB2  ALA 121           HB2      ALA 121   8.779   8.359  -2.367
  934    HB3  ALA 121           HB3      ALA 121   8.669   9.937  -3.172
  935    H    ARG 122           H        ARG 122   5.625   7.535  -4.668
  936    HA   ARG 122           HA       ARG 122   5.781   4.910  -3.501
  937    HB2  ARG 122           HB2      ARG 122   3.764   6.609  -3.756
  938    HB3  ARG 122           HB3      ARG 122   3.550   5.838  -5.320
  939    HG2  ARG 122           HG2      ARG 122   2.031   4.862  -3.840
  940    HG3  ARG 122           HG3      ARG 122   3.259   3.631  -4.084
  941    HD2  ARG 122           HD2      ARG 122   3.453   5.550  -1.730
  942    HD3  ARG 122           HD3      ARG 122   2.290   4.245  -1.663
  943    HE   ARG 122           HE       ARG 122   5.129   4.029  -1.290
  944   HH11  ARG 122          HH11      ARG 122   2.222   2.159  -2.250
  945   HH12  ARG 122          HH12      ARG 122   3.003   0.638  -1.989
  946   HH21  ARG 122          HH21      ARG 122   6.062   2.084  -0.879
  947   HH22  ARG 122          HH22      ARG 122   5.245   0.573  -1.180
  948    H    GLY 123           H        GLY 123   6.733   6.057  -6.556
  949    HA2  GLY 123           HA2      GLY 123   7.676   4.894  -8.306
  950    HA3  GLY 123           HA3      GLY 123   7.337   3.366  -7.473
  951    H    TYR 124           H        TYR 124   4.872   5.810  -8.192
  952    HA   TYR 124           HA       TYR 124   3.024   5.913  -9.403
  953    HB2  TYR 124           HB2      TYR 124   5.079   4.736 -11.219
  954    HB3  TYR 124           HB3      TYR 124   3.443   4.816 -11.811
  955    HD1  TYR 124           HD2      TYR 124   5.738   7.181  -9.930
  956    HD2  TYR 124           HD1      TYR 124   3.125   6.531 -13.310
  957    HE1  TYR 124           HE2      TYR 124   6.273   9.421 -10.780
  958    HE2  TYR 124           HE1      TYR 124   3.704   8.751 -14.187
  959    HH   TYR 124           HH       TYR 124   6.108  10.892 -12.590
  960    H    LYS 125           H        LYS 125   1.320   4.834 -10.699
  961    HA   LYS 125           HA       LYS 125   1.111   1.886 -10.410
  962    HB2  LYS 125           HB2      LYS 125  -1.271   3.700  -9.896
  963    HB3  LYS 125           HB3      LYS 125  -1.222   1.960  -9.760
  964    HG2  LYS 125           HG2      LYS 125   0.431   3.798  -8.000
  965    HG3  LYS 125           HG3      LYS 125  -1.204   3.276  -7.596
  966    HD2  LYS 125           HD2      LYS 125  -0.535   0.922  -7.540
  967    HD3  LYS 125           HD3      LYS 125   1.070   1.318  -8.137
  968    HE2  LYS 125           HE2      LYS 125   1.307   0.958  -5.805
  969    HE3  LYS 125           HE3      LYS 125   1.487   2.691  -6.081
  970    HZ1  LYS 125           HZ1      LYS 125  -0.829   2.953  -5.331
  971    HZ2  LYS 125           HZ2      LYS 125  -0.951   1.339  -5.062
  972    HZ3  LYS 125           HZ3      LYS 125   0.081   2.242  -4.171
  973    H    PHE 126           H        PHE 126   1.541   4.203 -12.504
  974    HA   PHE 126           HA       PHE 126   0.132   2.696 -14.579
  975    HB2  PHE 126           HB2      PHE 126  -0.607   4.499 -15.841
  976    HB3  PHE 126           HB3      PHE 126  -1.245   4.704 -14.225
  977    HD1  PHE 126           HD1      PHE 126   1.600   5.875 -16.433
  978    HD2  PHE 126           HD2      PHE 126  -1.300   6.908 -13.414
  979    HE1  PHE 126           HE1      PHE 126   2.283   8.240 -16.573
  980    HE2  PHE 126           HE2      PHE 126  -0.588   9.276 -13.552
  981    HZ   PHE 126           HZ       PHE 126   1.200   9.955 -15.137
  Start of MODEL   17
    1    H1   MET   1           H1       MET   1  12.483  -0.111  -0.683
    2    H2   MET   1           H2       MET   1  12.247  -1.132  -1.945
    3    H3   MET   1           H3       MET   1  12.136   0.487  -2.163
    4    HA   MET   1           HA       MET   1   9.951  -0.469  -2.130
    5    HB2  MET   1           HB2      MET   1  10.483  -2.434  -0.746
    6    HB3  MET   1           HB3      MET   1  10.741  -1.409   0.664
    7    HG2  MET   1           HG2      MET   1   8.546  -2.486   0.730
    8    HG3  MET   1           HG3      MET   1   8.401  -0.739   0.678
    9    HE1  MET   1           HE1      MET   1   7.237  -3.678  -2.720
   10    HE2  MET   1           HE2      MET   1   8.932  -3.491  -2.231
   11    HE3  MET   1           HE3      MET   1   7.740  -4.140  -1.080
   12    H    ALA   2           H        ALA   2   8.958   1.516  -2.243
   13    HA   ALA   2           HA       ALA   2   9.509   3.646  -0.372
   14    HB1  ALA   2           HB1      ALA   2   7.181   3.360  -2.325
   15    HB2  ALA   2           HB2      ALA   2   7.720   4.844  -1.537
   16    HB3  ALA   2           HB3      ALA   2   8.769   4.047  -2.716
   17    H    SER   3           H        SER   3   8.164   4.461   1.225
   18    HA   SER   3           HA       SER   3   5.661   3.073   1.969
   19    HB2  SER   3           HB2      SER   3   7.845   3.847   3.959
   20    HB3  SER   3           HB3      SER   3   6.282   3.105   4.339
   21    HG   SER   3           HG       SER   3   7.996   1.587   4.304
   22    H    VAL   4           H        VAL   4   6.126   5.394   0.416
   23    HA   VAL   4           HA       VAL   4   6.324   7.790   2.018
   24    HB   VAL   4           HB       VAL   4   7.373   7.446  -0.186
   25   HG11  VAL   4          HG11      VAL   4   5.563   6.144  -1.315
   26   HG12  VAL   4          HG12      VAL   4   4.593   7.623  -1.412
   27   HG13  VAL   4          HG13      VAL   4   6.143   7.506  -2.264
   28   HG21  VAL   4          HG21      VAL   4   6.946   9.628  -1.127
   29   HG22  VAL   4          HG22      VAL   4   5.410   9.751  -0.240
   30   HG23  VAL   4          HG23      VAL   4   6.952   9.727   0.640
   31    H    GLU   5           H        GLU   5   3.724   5.776   0.886
   32    HA   GLU   5           HA       GLU   5   1.574   7.520   0.633
   33    HB2  GLU   5           HB2      GLU   5   1.557   4.731   1.892
   34    HB3  GLU   5           HB3      GLU   5   0.174   5.609   1.248
   35    HG2  GLU   5           HG2      GLU   5   0.582   4.315  -0.551
   36    HG3  GLU   5           HG3      GLU   5   1.637   5.652  -0.992
   37    H    ARG   6           H        ARG   6   0.444   8.837   2.047
   38    HA   ARG   6           HA       ARG   6   1.455   9.242   4.682
   39    HB2  ARG   6           HB2      ARG   6   0.599  11.054   3.387
   40    HB3  ARG   6           HB3      ARG   6  -0.960  10.284   3.137
   41    HG2  ARG   6           HG2      ARG   6  -0.041  10.972   5.943
   42    HG3  ARG   6           HG3      ARG   6  -0.684  12.228   4.883
   43    HD2  ARG   6           HD2      ARG   6  -2.783  11.089   4.594
   44    HD3  ARG   6           HD3      ARG   6  -2.233   9.664   5.435
   45    HE   ARG   6           HE       ARG   6  -3.193  12.140   6.589
   46   HH11  ARG   6          HH11      ARG   6  -1.130   9.297   7.336
   47   HH12  ARG   6          HH12      ARG   6  -1.373   9.444   9.037
   48   HH21  ARG   6          HH21      ARG   6  -3.480  12.283   8.847
   49   HH22  ARG   6          HH22      ARG   6  -2.718  11.163   9.908
   50    H    ASP   7           H        ASP   7  -1.313   7.415   3.395
   51    HA   ASP   7           HA       ASP   7  -1.485   5.632   5.565
   52    HB2  ASP   7           HB2      ASP   7  -2.615   7.578   6.722
   53    HB3  ASP   7           HB3      ASP   7  -3.753   7.682   5.381
   54    H    GLU   8           H        GLU   8  -3.415   4.094   5.016
   55    HA   GLU   8           HA       GLU   8  -3.771   3.609   2.242
   56    HB2  GLU   8           HB2      GLU   8  -5.532   2.882   4.625
   57    HB3  GLU   8           HB3      GLU   8  -5.697   2.199   3.009
   58    HG2  GLU   8           HG2      GLU   8  -3.257   1.904   4.817
   59    HG3  GLU   8           HG3      GLU   8  -4.505   0.695   4.566
   60    H    THR   9           H        THR   9  -5.586   5.713   4.510
   61    HA   THR   9           HA       THR   9  -7.743   6.395   2.868
   62    HB   THR   9           HB       THR   9  -6.201   8.172   4.778
   63    HG1  THR   9           HG1      THR   9  -6.633   6.390   5.869
   64   HG21  THR   9          HG21      THR   9  -9.135   8.216   3.951
   65   HG22  THR   9          HG22      THR   9  -8.435   9.149   5.300
   66   HG23  THR   9          HG23      THR   9  -7.917   9.474   3.650
   67    H    ARG  10           H        ARG  10  -4.329   7.355   2.398
   68    HA   ARG  10           HA       ARG  10  -5.054   9.547   0.570
   69    HB2  ARG  10           HB2      ARG  10  -2.891   9.361   2.007
   70    HB3  ARG  10           HB3      ARG  10  -2.356   8.150   0.849
   71    HG2  ARG  10           HG2      ARG  10  -1.385  10.257   0.253
   72    HG3  ARG  10           HG3      ARG  10  -2.584   9.872  -0.987
   73    HD2  ARG  10           HD2      ARG  10  -4.152  11.478  -0.070
   74    HD3  ARG  10           HD3      ARG  10  -3.174  11.662   1.403
   75    HE   ARG  10           HE       ARG  10  -2.006  12.382  -1.232
   76   HH11  ARG  10          HH11      ARG  10  -3.537  13.644   1.745
   77   HH12  ARG  10          HH12      ARG  10  -2.855  15.235   1.565
   78   HH21  ARG  10          HH21      ARG  10  -0.949  14.466  -1.277
   79   HH22  ARG  10          HH22      ARG  10  -1.239  15.617   0.001
   80    H    GLU  11           H        GLU  11  -3.800   6.184   0.336
   81    HA   GLU  11           HA       GLU  11  -3.846   5.979  -2.479
   82    HB2  GLU  11           HB2      GLU  11  -4.281   3.887  -0.303
   83    HB3  GLU  11           HB3      GLU  11  -4.106   3.496  -2.009
   84    HG2  GLU  11           HG2      GLU  11  -2.005   4.976  -0.361
   85    HG3  GLU  11           HG3      GLU  11  -2.006   3.243  -0.670
   86    H    HIS  12           H        HIS  12  -6.461   5.428  -0.088
   87    HA   HIS  12           HA       HIS  12  -8.479   4.611  -1.882
   88    HB2  HIS  12           HB2      HIS  12  -8.645   4.528   0.585
   89    HB3  HIS  12           HB3      HIS  12  -8.713   6.285   0.654
   90    HD1  HIS  12           HD1      HIS  12 -11.023   6.399  -1.885
   91    HD2  HIS  12           HD2      HIS  12 -10.998   4.329   1.803
   92    HE1  HIS  12           HE1      HIS  12 -13.438   6.027  -1.251
   93    H    ARG  13           H        ARG  13  -7.627   7.994  -0.773
   94    HA   ARG  13           HA       ARG  13  -9.672   9.164  -2.416
   95    HB2  ARG  13           HB2      ARG  13  -7.186  10.277  -1.070
   96    HB3  ARG  13           HB3      ARG  13  -8.261  11.289  -2.048
   97    HG2  ARG  13           HG2      ARG  13 -10.176  10.792  -0.665
   98    HG3  ARG  13           HG3      ARG  13  -9.282   9.605   0.289
   99    HD2  ARG  13           HD2      ARG  13  -8.551  12.555   0.129
  100    HD3  ARG  13           HD3      ARG  13  -9.596  11.854   1.381
  101    HE   ARG  13           HE       ARG  13  -7.328  10.275   1.415
  102   HH11  ARG  13          HH11      ARG  13  -8.077  13.698   1.988
  103   HH12  ARG  13          HH12      ARG  13  -6.831  13.947   3.150
  104   HH21  ARG  13          HH21      ARG  13  -5.593  10.622   2.964
  105   HH22  ARG  13          HH22      ARG  13  -5.435  12.146   3.747
  106    H    ILE  14           H        ILE  14  -6.209   8.466  -3.115
  107    HA   ILE  14           HA       ILE  14  -6.137   9.657  -5.689
  108    HB   ILE  14           HB       ILE  14  -4.782   7.237  -4.456
  109   HG12  ILE  14          HG12      ILE  14  -3.551   9.883  -5.308
  110   HG13  ILE  14          HG13      ILE  14  -4.287   9.680  -3.724
  111   HG21  ILE  14          HG21      ILE  14  -4.206   8.395  -7.214
  112   HG22  ILE  14          HG22      ILE  14  -3.224   7.179  -6.367
  113   HG23  ILE  14          HG23      ILE  14  -4.862   6.777  -6.863
  114   HD11  ILE  14          HD11      ILE  14  -1.916   8.090  -4.777
  115   HD12  ILE  14          HD12      ILE  14  -1.900   9.362  -3.547
  116   HD13  ILE  14          HD13      ILE  14  -2.724   7.837  -3.208
  117    H    GLU  15           H        GLU  15  -7.075   6.327  -4.728
  118    HA   GLU  15           HA       GLU  15  -7.801   5.490  -7.285
  119    HB2  GLU  15           HB2      GLU  15  -7.353   3.958  -5.460
  120    HB3  GLU  15           HB3      GLU  15  -8.752   4.536  -4.547
  121    HG2  GLU  15           HG2      GLU  15 -10.287   3.657  -6.212
  122    HG3  GLU  15           HG3      GLU  15  -8.946   3.206  -7.275
  123    H    THR  16           H        THR  16  -9.943   7.018  -4.776
  124    HA   THR  16           HA       THR  16 -12.187   6.696  -6.629
  125    HB   THR  16           HB       THR  16 -13.548   7.353  -4.669
  126    HG1  THR  16           HG1      THR  16 -12.264   8.526  -3.372
  127   HG21  THR  16          HG21      THR  16 -12.927   4.982  -5.203
  128   HG22  THR  16          HG22      THR  16 -11.555   5.120  -4.082
  129   HG23  THR  16          HG23      THR  16 -13.222   5.272  -3.486
  130    H    GLU  17           H        GLU  17 -10.021   9.293  -6.010
  131    HA   GLU  17           HA       GLU  17 -12.034  11.213  -7.100
  132    HB2  GLU  17           HB2      GLU  17  -9.693  11.917  -5.312
  133    HB3  GLU  17           HB3      GLU  17 -10.990  12.960  -5.837
  134    HG2  GLU  17           HG2      GLU  17 -11.238  10.613  -3.910
  135    HG3  GLU  17           HG3      GLU  17 -11.269  12.319  -3.504
  136    H    ILE  18           H        ILE  18  -8.845   9.825  -7.689
  137    HA   ILE  18           HA       ILE  18  -8.272  12.065  -9.589
  138    HB   ILE  18           HB       ILE  18  -6.290  10.151  -8.317
  139   HG12  ILE  18          HG12      ILE  18  -7.160  12.953  -7.500
  140   HG13  ILE  18          HG13      ILE  18  -7.268  11.486  -6.540
  141   HG21  ILE  18          HG21      ILE  18  -5.616  11.169 -10.518
  142   HG22  ILE  18          HG22      ILE  18  -5.832  12.769  -9.798
  143   HG23  ILE  18          HG23      ILE  18  -4.590  11.659  -9.180
  144   HD11  ILE  18          HD11      ILE  18  -4.737  11.380  -6.557
  145   HD12  ILE  18          HD12      ILE  18  -4.751  13.012  -7.262
  146   HD13  ILE  18          HD13      ILE  18  -5.458  12.736  -5.663
  147    H    ILE  19           H        ILE  19  -8.003   8.463  -9.272
  148    HA   ILE  19           HA       ILE  19  -8.028   8.316 -12.258
  149    HB   ILE  19           HB       ILE  19  -6.686   6.288 -11.979
  150   HG12  ILE  19          HG12      ILE  19  -6.211   7.283  -9.128
  151   HG13  ILE  19          HG13      ILE  19  -7.308   5.943  -9.529
  152   HG21  ILE  19          HG21      ILE  19  -4.611   7.511 -11.827
  153   HG22  ILE  19          HG22      ILE  19  -5.795   8.547 -12.610
  154   HG23  ILE  19          HG23      ILE  19  -5.377   8.817 -10.902
  155   HD11  ILE  19          HD11      ILE  19  -5.451   4.791 -10.645
  156   HD12  ILE  19          HD12      ILE  19  -4.342   6.088 -10.124
  157   HD13  ILE  19          HD13      ILE  19  -5.150   5.067  -8.906
  158    H    VAL  20           H        VAL  20 -10.264   8.061 -10.066
  159    HA   VAL  20           HA       VAL  20 -11.285   5.525 -10.017
  160    HB   VAL  20           HB       VAL  20 -12.002   7.539  -8.776
  161   HG11  VAL  20          HG11      VAL  20 -12.317   9.148 -10.617
  162   HG12  VAL  20          HG12      VAL  20 -13.759   8.246 -11.140
  163   HG13  VAL  20          HG13      VAL  20 -13.722   9.032  -9.554
  164   HG21  VAL  20          HG21      VAL  20 -14.320   5.997  -9.987
  165   HG22  VAL  20          HG22      VAL  20 -13.287   5.444  -8.650
  166   HG23  VAL  20          HG23      VAL  20 -14.315   6.872  -8.441
  167    H    ASP  21           H        ASP  21 -11.602   7.823 -12.720
  168    HA   ASP  21           HA       ASP  21 -13.462   6.051 -14.158
  169    HB2  ASP  21           HB2      ASP  21 -13.763   8.517 -14.061
  170    HB3  ASP  21           HB3      ASP  21 -12.226   8.729 -14.901
  171    H    ALA  22           H        ALA  22 -10.101   6.117 -13.791
  172    HA   ALA  22           HA       ALA  22  -9.380   5.939 -16.600
  173    HB1  ALA  22           HB1      ALA  22  -7.840   6.972 -14.979
  174    HB2  ALA  22           HB2      ALA  22  -7.690   5.406 -14.126
  175    HB3  ALA  22           HB3      ALA  22  -7.106   5.576 -15.787
  176    H    GLU  23           H        GLU  23  -8.173   4.133 -17.478
  177    HA   GLU  23           HA       GLU  23  -8.803   1.448 -16.428
  178    HB2  GLU  23           HB2      GLU  23 -10.740   2.389 -17.831
  179    HB3  GLU  23           HB3      GLU  23  -9.636   2.408 -19.201
  180    HG2  GLU  23           HG2      GLU  23 -11.038   0.458 -19.332
  181    HG3  GLU  23           HG3      GLU  23  -9.402  -0.080 -19.012
  182    H    ASP  24           H        ASP  24  -6.836   3.568 -18.502
  183    HA   ASP  24           HA       ASP  24  -4.904   1.428 -19.013
  184    HB2  ASP  24           HB2      ASP  24  -6.657   1.452 -20.899
  185    HB3  ASP  24           HB3      ASP  24  -6.070   3.078 -21.276
  186    H    LYS  25           H        LYS  25  -3.066   2.559 -20.356
  187    HA   LYS  25           HA       LYS  25  -1.884   4.338 -18.596
  188    HB2  LYS  25           HB2      LYS  25  -0.075   4.572 -20.129
  189    HB3  LYS  25           HB3      LYS  25  -0.651   2.904 -20.072
  190    HG2  LYS  25           HG2      LYS  25  -2.005   3.455 -22.208
  191    HG3  LYS  25           HG3      LYS  25  -1.131   4.989 -22.246
  192    HD2  LYS  25           HD2      LYS  25  -0.045   3.467 -23.751
  193    HD3  LYS  25           HD3      LYS  25   1.030   3.738 -22.367
  194    HE2  LYS  25           HE2      LYS  25   0.284   1.588 -21.366
  195    HE3  LYS  25           HE3      LYS  25  -0.843   1.343 -22.704
  196    HZ1  LYS  25           HZ1      LYS  25   1.066   1.218 -24.202
  197    HZ2  LYS  25           HZ2      LYS  25   2.110   1.450 -22.965
  198    HZ3  LYS  25           HZ3      LYS  25   1.202   0.101 -23.026
  199    H    GLU  26           H        GLU  26  -3.667   5.195 -21.572
  200    HA   GLU  26           HA       GLU  26  -2.878   7.978 -21.484
  201    HB2  GLU  26           HB2      GLU  26  -5.242   6.578 -22.826
  202    HB3  GLU  26           HB3      GLU  26  -4.797   8.272 -23.074
  203    HG2  GLU  26           HG2      GLU  26  -2.557   7.537 -23.917
  204    HG3  GLU  26           HG3      GLU  26  -3.056   5.856 -23.740
  205    H    GLU  27           H        GLU  27  -5.660   6.057 -20.271
  206    HA   GLU  27           HA       GLU  27  -7.179   8.329 -19.431
  207    HB2  GLU  27           HB2      GLU  27  -7.396   5.455 -18.487
  208    HB3  GLU  27           HB3      GLU  27  -8.631   6.713 -18.414
  209    HG2  GLU  27           HG2      GLU  27  -7.546   5.372 -20.917
  210    HG3  GLU  27           HG3      GLU  27  -9.127   5.134 -20.190
  211    H    ARG  28           H        ARG  28  -4.766   6.218 -17.715
  212    HA   ARG  28           HA       ARG  28  -5.574   7.428 -15.184
  213    HB2  ARG  28           HB2      ARG  28  -4.309   6.024 -14.114
  214    HB3  ARG  28           HB3      ARG  28  -4.224   5.148 -15.621
  215    HG2  ARG  28           HG2      ARG  28  -2.105   7.137 -14.660
  216    HG3  ARG  28           HG3      ARG  28  -2.086   5.429 -14.292
  217    HD2  ARG  28           HD2      ARG  28  -2.154   4.979 -16.766
  218    HD3  ARG  28           HD3      ARG  28  -1.875   6.714 -17.013
  219    HE   ARG  28           HE       ARG  28   0.041   5.146 -15.397
  220   HH11  ARG  28          HH11      ARG  28  -0.489   6.896 -18.462
  221   HH12  ARG  28          HH12      ARG  28   1.195   6.923 -18.849
  222   HH21  ARG  28          HH21      ARG  28   2.149   4.907 -16.059
  223   HH22  ARG  28          HH22      ARG  28   2.728   5.741 -17.468
  224    H    ALA  29           H        ALA  29  -3.071   8.171 -17.597
  225    HA   ALA  29           HA       ALA  29  -1.894  10.246 -16.027
  226    HB1  ALA  29           HB1      ALA  29  -0.869  10.940 -18.144
  227    HB2  ALA  29           HB2      ALA  29  -0.728   9.200 -17.864
  228    HB3  ALA  29           HB3      ALA  29  -1.935   9.807 -19.030
  229    H    MET  30           H        MET  30  -4.607  10.260 -18.421
  230    HA   MET  30           HA       MET  30  -5.102  13.072 -18.162
  231    HB2  MET  30           HB2      MET  30  -6.935  10.778 -18.889
  232    HB3  MET  30           HB3      MET  30  -7.422  12.473 -18.902
  233    HG2  MET  30           HG2      MET  30  -5.167  11.290 -20.569
  234    HG3  MET  30           HG3      MET  30  -6.785  11.666 -21.125
  235    HE1  MET  30           HE1      MET  30  -3.192  14.429 -20.940
  236    HE2  MET  30           HE2      MET  30  -3.675  13.968 -19.308
  237    HE3  MET  30           HE3      MET  30  -3.277  12.713 -20.490
  238    H    GLY  31           H        GLY  31  -6.169  10.299 -16.142
  239    HA2  GLY  31           HA2      GLY  31  -7.861  11.693 -14.383
  240    HA3  GLY  31           HA3      GLY  31  -6.847  10.299 -13.968
  241    H    TRP  32           H        TRP  32  -4.273  11.172 -14.117
  242    HA   TRP  32           HA       TRP  32  -3.836  12.752 -11.820
  243    HB2  TRP  32           HB2      TRP  32  -1.953  12.676 -14.195
  244    HB3  TRP  32           HB3      TRP  32  -1.550  12.946 -12.520
  245    HD1  TRP  32           HD1      TRP  32  -3.234  10.033 -11.812
  246    HE1  TRP  32           HE1      TRP  32  -1.837   7.897 -12.067
  247    HE3  TRP  32           HE3      TRP  32   0.274  11.841 -14.996
  248    HZ2  TRP  32           HZ2      TRP  32   0.446   7.052 -13.720
  249    HZ3  TRP  32           HZ3      TRP  32   1.960  10.344 -16.028
  250    HH2  TRP  32           HH2      TRP  32   2.036   7.947 -15.392
  251    H    TYR  33           H        TYR  33  -3.763  13.650 -15.283
  252    HA   TYR  33           HA       TYR  33  -2.840  16.276 -14.963
  253    HB2  TYR  33           HB2      TYR  33  -2.634  15.118 -17.051
  254    HB3  TYR  33           HB3      TYR  33  -4.349  14.793 -17.115
  255    HD1  TYR  33           HD1      TYR  33  -2.327  17.985 -16.754
  256    HD2  TYR  33           HD2      TYR  33  -5.381  15.803 -18.870
  257    HE1  TYR  33           HE1      TYR  33  -2.766  19.966 -18.178
  258    HE2  TYR  33           HE2      TYR  33  -5.882  17.789 -20.229
  259    HH   TYR  33           HH       TYR  33  -5.310  20.006 -20.710
  260    H    TYR  34           H        TYR  34  -6.254  15.090 -15.389
  261    HA   TYR  34           HA       TYR  34  -7.356  17.724 -15.505
  262    HB2  TYR  34           HB2      TYR  34  -8.624  15.088 -14.668
  263    HB3  TYR  34           HB3      TYR  34  -9.495  16.560 -15.058
  264    HD1  TYR  34           HD2      TYR  34  -7.246  16.861 -17.615
  265    HD2  TYR  34           HD1      TYR  34 -10.244  14.063 -16.239
  266    HE1  TYR  34           HE2      TYR  34  -7.622  16.116 -19.931
  267    HE2  TYR  34           HE1      TYR  34 -10.596  13.295 -18.565
  268    HH   TYR  34           HH       TYR  34  -8.791  14.685 -21.347
  269    H    TYR  35           H        TYR  35  -6.812  15.408 -12.783
  270    HA   TYR  35           HA       TYR  35  -8.237  16.949 -10.854
  271    HB2  TYR  35           HB2      TYR  35  -7.599  14.538 -10.665
  272    HB3  TYR  35           HB3      TYR  35  -5.917  15.019 -10.462
  273    HD1  TYR  35           HD1      TYR  35  -9.328  15.172  -8.951
  274    HD2  TYR  35           HD2      TYR  35  -5.104  15.772  -8.310
  275    HE1  TYR  35           HE1      TYR  35  -9.731  15.387  -6.519
  276    HE2  TYR  35           HE2      TYR  35  -5.493  16.002  -5.882
  277    HH   TYR  35           HH       TYR  35  -7.077  15.989  -4.166
  278    H    LEU  36           H        LEU  36  -4.743  16.890 -11.775
  279    HA   LEU  36           HA       LEU  36  -3.919  18.820  -9.814
  280    HB2  LEU  36           HB2      LEU  36  -2.764  17.554 -12.293
  281    HB3  LEU  36           HB3      LEU  36  -2.042  19.048 -11.739
  282    HG   LEU  36           HG       LEU  36  -1.292  18.182  -9.720
  283   HD11  LEU  36          HD11      LEU  36  -1.785  15.909  -8.838
  284   HD12  LEU  36          HD12      LEU  36  -3.193  16.966  -8.827
  285   HD13  LEU  36          HD13      LEU  36  -3.036  15.713 -10.084
  286   HD21  LEU  36          HD21      LEU  36  -1.060  15.852 -11.667
  287   HD22  LEU  36          HD22      LEU  36  -0.120  17.349 -11.785
  288   HD23  LEU  36          HD23      LEU  36   0.083  16.286 -10.378
  289    H    ASP  37           H        ASP  37  -4.846  19.109 -13.299
  290    HA   ASP  37           HA       ASP  37  -4.442  21.897 -13.490
  291    HB2  ASP  37           HB2      ASP  37  -4.770  20.455 -15.438
  292    HB3  ASP  37           HB3      ASP  37  -6.408  20.060 -14.911
  293    H    ASP  38           H        ASP  38  -7.238  20.054 -12.228
  294    HA   ASP  38           HA       ASP  38  -8.923  22.398 -11.938
  295    HB2  ASP  38           HB2      ASP  38  -9.846  20.140 -12.205
  296    HB3  ASP  38           HB3      ASP  38  -9.075  19.622 -10.703
  297    H    THR  39           H        THR  39  -6.346  20.976 -10.009
  298    HA   THR  39           HA       THR  39  -7.423  22.148  -7.493
  299    HB   THR  39           HB       THR  39  -5.076  20.295  -8.080
  300    HG1  THR  39           HG1      THR  39  -6.908  19.226  -8.398
  301   HG21  THR  39          HG21      THR  39  -5.211  19.874  -5.565
  302   HG22  THR  39          HG22      THR  39  -4.541  21.439  -6.051
  303   HG23  THR  39          HG23      THR  39  -6.199  21.349  -5.460
  304    H    LEU  40           H        LEU  40  -4.503  22.362  -9.577
  305    HA   LEU  40           HA       LEU  40  -2.992  23.982  -7.777
  306    HB2  LEU  40           HB2      LEU  40  -2.826  23.529 -10.782
  307    HB3  LEU  40           HB3      LEU  40  -1.590  24.373  -9.853
  308    HG   LEU  40           HG       LEU  40  -2.404  21.502  -9.227
  309   HD11  LEU  40          HD11      LEU  40  -1.652  21.630 -11.586
  310   HD12  LEU  40          HD12      LEU  40  -0.164  22.455 -11.077
  311   HD13  LEU  40          HD13      LEU  40  -0.472  20.775 -10.586
  312   HD21  LEU  40          HD21      LEU  40  -0.144  21.345  -8.285
  313   HD22  LEU  40          HD22      LEU  40   0.092  23.082  -8.555
  314   HD23  LEU  40          HD23      LEU  40  -1.168  22.500  -7.436
  315    H    GLU  41           H        GLU  41  -3.333  26.093  -7.283
  316    HA   GLU  41           HA       GLU  41  -5.138  27.716  -8.928
  317    HB2  GLU  41           HB2      GLU  41  -3.741  28.292  -6.282
  318    HB3  GLU  41           HB3      GLU  41  -4.878  29.373  -7.108
  319    HG2  GLU  41           HG2      GLU  41  -6.555  27.426  -7.066
  320    HG3  GLU  41           HG3      GLU  41  -5.468  26.642  -5.918
  321    H    PHE  42           H        PHE  42  -3.250  27.224 -10.632
  322    HA   PHE  42           HA       PHE  42  -0.946  28.920 -10.529
  323    HB2  PHE  42           HB2      PHE  42  -0.697  28.313 -12.935
  324    HB3  PHE  42           HB3      PHE  42  -0.834  26.956 -11.856
  325    HD1  PHE  42           HD2      PHE  42  -2.847  29.055 -14.250
  326    HD2  PHE  42           HD1      PHE  42  -2.362  25.240 -12.300
  327    HE1  PHE  42           HE2      PHE  42  -4.633  28.097 -15.677
  328    HE2  PHE  42           HE1      PHE  42  -4.157  24.287 -13.727
  329    HZ   PHE  42           HZ       PHE  42  -5.293  25.712 -15.416
  330    HA   PRO  43           HA       PRO  43   0.316  30.151 -12.550
  331    HB2  PRO  43           HB2      PRO  43   0.541  33.091 -11.960
  332    HB3  PRO  43           HB3      PRO  43   1.373  32.121 -13.214
  333    HG2  PRO  43           HG2      PRO  43  -0.734  33.700 -13.874
  334    HG3  PRO  43           HG3      PRO  43  -0.596  32.050 -14.567
  335    HD2  PRO  43           HD2      PRO  43  -2.271  32.956 -12.204
  336    HD3  PRO  43           HD3      PRO  43  -2.740  31.921 -13.586
  337    H    PHE  44           H        PHE  44   2.003  29.788 -11.015
  338    HA   PHE  44           HA       PHE  44   1.821  30.990  -8.346
  339    HB2  PHE  44           HB2      PHE  44   1.628  28.995  -7.124
  340    HB3  PHE  44           HB3      PHE  44   0.299  28.997  -8.245
  341    HD1  PHE  44           HD2      PHE  44   3.621  27.480  -7.501
  342    HD2  PHE  44           HD1      PHE  44  -0.027  27.112  -9.733
  343    HE1  PHE  44           HE2      PHE  44   4.270  25.190  -8.154
  344    HE2  PHE  44           HE1      PHE  44   0.631  24.826 -10.427
  345    HZ   PHE  44           HZ       PHE  44   2.768  23.845  -9.624
  346    H    MET  45           H        MET  45   3.861  30.418  -7.051
  347    HA   MET  45           HA       MET  45   6.118  30.394  -8.961
  348    HB2  MET  45           HB2      MET  45   5.827  32.216  -7.281
  349    HB3  MET  45           HB3      MET  45   5.922  31.025  -5.974
  350    HG2  MET  45           HG2      MET  45   8.234  30.456  -6.687
  351    HG3  MET  45           HG3      MET  45   8.119  31.658  -7.974
  352    HE1  MET  45           HE1      MET  45  10.717  33.139  -5.486
  353    HE2  MET  45           HE2      MET  45  10.455  31.470  -6.055
  354    HE3  MET  45           HE3      MET  45  10.333  32.824  -7.194
  355    H    GLY  46           H        GLY  46   7.889  28.877  -8.859
  356    HA2  GLY  46           HA2      GLY  46   8.036  27.090  -6.557
  357    HA3  GLY  46           HA3      GLY  46   7.665  26.290  -8.091
  358    H    LYS  47           H        LYS  47   9.888  25.575  -6.857
  359    HA   LYS  47           HA       LYS  47  12.098  26.874  -8.395
  360    HB2  LYS  47           HB2      LYS  47  12.364  26.342  -5.821
  361    HB3  LYS  47           HB3      LYS  47  12.389  24.662  -6.305
  362    HG2  LYS  47           HG2      LYS  47  14.667  25.273  -6.177
  363    HG3  LYS  47           HG3      LYS  47  14.319  25.283  -7.901
  364    HD2  LYS  47           HD2      LYS  47  15.606  27.235  -7.480
  365    HD3  LYS  47           HD3      LYS  47  13.955  27.820  -7.697
  366    HE2  LYS  47           HE2      LYS  47  13.645  28.067  -5.301
  367    HE3  LYS  47           HE3      LYS  47  15.175  27.246  -4.963
  368    HZ1  LYS  47           HZ1      LYS  47  15.297  29.699  -4.818
  369    HZ2  LYS  47           HZ2      LYS  47  16.360  29.087  -5.889
  370    HZ3  LYS  47           HZ3      LYS  47  15.008  29.820  -6.431
  371    H    TRP  48           H        TRP  48  12.738  25.823 -10.216
  372    HA   TRP  48           HA       TRP  48  11.678  23.123 -10.830
  373    HB2  TRP  48           HB2      TRP  48  11.720  24.928 -12.583
  374    HB3  TRP  48           HB3      TRP  48  13.465  25.000 -12.443
  375    HD1  TRP  48           HD1      TRP  48  12.753  21.447 -12.270
  376    HE1  TRP  48           HE1      TRP  48  12.967  20.286 -14.500
  377    HE3  TRP  48           HE3      TRP  48  12.558  25.560 -15.300
  378    HZ2  TRP  48           HZ2      TRP  48  13.028  21.032 -17.319
  379    HZ3  TRP  48           HZ3      TRP  48  12.615  25.295 -17.770
  380    HH2  TRP  48           HH2      TRP  48  12.863  23.041 -18.784
  381    H    LYS  49           H        LYS  49  12.802  21.626  -9.628
  382    HA   LYS  49           HA       LYS  49  15.675  21.993  -9.013
  383    HB2  LYS  49           HB2      LYS  49  13.430  20.313  -7.806
  384    HB3  LYS  49           HB3      LYS  49  15.140  20.033  -7.445
  385    HG2  LYS  49           HG2      LYS  49  15.413  22.251  -6.532
  386    HG3  LYS  49           HG3      LYS  49  13.796  22.734  -7.047
  387    HD2  LYS  49           HD2      LYS  49  13.912  22.314  -4.645
  388    HD3  LYS  49           HD3      LYS  49  12.765  21.234  -5.454
  389    HE2  LYS  49           HE2      LYS  49  14.293  19.371  -5.324
  390    HE3  LYS  49           HE3      LYS  49  15.613  20.408  -4.755
  391    HZ1  LYS  49           HZ1      LYS  49  14.454  19.121  -2.983
  392    HZ2  LYS  49           HZ2      LYS  49  14.477  20.727  -2.705
  393    HZ3  LYS  49           HZ3      LYS  49  13.098  20.022  -3.225
  394    H    LYS  50           H        LYS  50  15.707  21.715 -11.419
  395    HA   LYS  50           HA       LYS  50  14.813  19.406 -12.784
  396    HB2  LYS  50           HB2      LYS  50  15.596  21.550 -13.841
  397    HB3  LYS  50           HB3      LYS  50  17.261  21.099 -13.463
  398    HG2  LYS  50           HG2      LYS  50  17.034  19.054 -14.857
  399    HG3  LYS  50           HG3      LYS  50  15.339  19.458 -15.184
  400    HD2  LYS  50           HD2      LYS  50  16.069  21.563 -16.296
  401    HD3  LYS  50           HD3      LYS  50  17.766  21.128 -15.982
  402    HE2  LYS  50           HE2      LYS  50  17.455  19.031 -17.298
  403    HE3  LYS  50           HE3      LYS  50  15.776  19.481 -17.612
  404    HZ1  LYS  50           HZ1      LYS  50  18.140  21.018 -18.532
  405    HZ2  LYS  50           HZ2      LYS  50  17.203  20.068 -19.466
  406    HZ3  LYS  50           HZ3      LYS  50  16.583  21.426 -18.819
  407    H    LYS  51           H        LYS  51  15.333  17.285 -12.291
  408    HA   LYS  51           HA       LYS  51  17.993  16.725 -11.149
  409    HB2  LYS  51           HB2      LYS  51  17.209  14.517 -10.710
  410    HB3  LYS  51           HB3      LYS  51  16.053  15.702 -10.111
  411    HG2  LYS  51           HG2      LYS  51  14.613  15.302 -12.073
  412    HG3  LYS  51           HG3      LYS  51  15.744  14.061 -12.648
  413    HD2  LYS  51           HD2      LYS  51  15.388  12.773 -10.574
  414    HD3  LYS  51           HD3      LYS  51  14.302  14.013  -9.942
  415    HE2  LYS  51           HE2      LYS  51  13.800  12.444 -12.511
  416    HE3  LYS  51           HE3      LYS  51  13.206  11.947 -10.927
  417    HZ1  LYS  51           HZ1      LYS  51  11.920  14.026 -10.814
  418    HZ2  LYS  51           HZ2      LYS  51  12.443  14.493 -12.276
  419    HZ3  LYS  51           HZ3      LYS  51  11.527  13.156 -12.139
  420    H    SER  52           H        SER  52  16.416  16.618 -14.296
  421    HA   SER  52           HA       SER  52  18.012  14.513 -15.344
  422    HB2  SER  52           HB2      SER  52  17.148  15.684 -17.563
  423    HB3  SER  52           HB3      SER  52  16.102  14.739 -16.503
  424    HG   SER  52           HG       SER  52  15.532  17.053 -17.260
  425    H    ARG  53           H        ARG  53  19.178  17.539 -14.435
  426    HA   ARG  53           HA       ARG  53  20.636  18.466 -16.611
  427    HB2  ARG  53           HB2      ARG  53  20.413  19.736 -14.553
  428    HB3  ARG  53           HB3      ARG  53  21.291  18.514 -13.636
  429    HG2  ARG  53           HG2      ARG  53  22.692  20.473 -14.046
  430    HG3  ARG  53           HG3      ARG  53  23.373  19.043 -14.802
  431    HD2  ARG  53           HD2      ARG  53  22.330  19.837 -17.012
  432    HD3  ARG  53           HD3      ARG  53  21.852  21.307 -16.166
  433    HE   ARG  53           HE       ARG  53  24.024  22.053 -16.182
  434   HH11  ARG  53          HH11      ARG  53  24.045  18.624 -17.212
  435   HH12  ARG  53          HH12      ARG  53  25.667  18.695 -17.801
  436   HH21  ARG  53          HH21      ARG  53  26.182  22.096 -16.943
  437   HH22  ARG  53          HH22      ARG  53  26.907  20.692 -17.626
  438    H    LYS  54           H        LYS  54  21.534  15.798 -14.434
  439    HA   LYS  54           HA       LYS  54  23.173  14.709 -16.588
  440    HB2  LYS  54           HB2      LYS  54  24.772  16.055 -15.116
  441    HB3  LYS  54           HB3      LYS  54  24.419  14.913 -13.815
  442    HG2  LYS  54           HG2      LYS  54  25.201  13.038 -15.274
  443    HG3  LYS  54           HG3      LYS  54  25.574  14.214 -16.548
  444    HD2  LYS  54           HD2      LYS  54  27.193  15.337 -15.039
  445    HD3  LYS  54           HD3      LYS  54  26.808  14.167 -13.756
  446    HE2  LYS  54           HE2      LYS  54  27.572  12.312 -15.227
  447    HE3  LYS  54           HE3      LYS  54  27.958  13.476 -16.500
  448    HZ1  LYS  54           HZ1      LYS  54  29.916  12.869 -15.234
  449    HZ2  LYS  54           HZ2      LYS  54  29.610  14.453 -15.014
  450    HZ3  LYS  54           HZ3      LYS  54  29.253  13.375 -13.836
  451    H    THR  55           H        THR  55  20.875  13.889 -16.320
  452    HA   THR  55           HA       THR  55  19.518  12.165 -16.058
  453    HB   THR  55           HB       THR  55  21.688  10.658 -14.568
  454    HG1  THR  55           HG1      THR  55  22.482  10.090 -16.545
  455   HG21  THR  55          HG21      THR  55  19.412   9.742 -16.388
  456   HG22  THR  55          HG22      THR  55  20.644   8.692 -15.647
  457   HG23  THR  55          HG23      THR  55  19.484   9.547 -14.623
  458    H    SER  56           H        SER  56  21.288  12.629 -12.920
  459    HA   SER  56           HA       SER  56  18.625  12.789 -11.589
  460    HB2  SER  56           HB2      SER  56  20.983  11.162 -10.563
  461    HB3  SER  56           HB3      SER  56  19.353  11.238  -9.878
  462    HG   SER  56           HG       SER  56  19.693   9.352 -11.132
  463    H    THR  57           H        THR  57  21.572  14.430 -12.023
  464    HA   THR  57           HA       THR  57  22.055  15.268  -9.288
  465    HB   THR  57           HB       THR  57  23.512  16.960 -10.489
  466    HG1  THR  57           HG1      THR  57  22.209  16.979 -12.373
  467   HG21  THR  57          HG21      THR  57  23.930  14.071 -11.398
  468   HG22  THR  57          HG22      THR  57  25.158  15.352 -11.322
  469   HG23  THR  57          HG23      THR  57  24.428  14.740  -9.828
  470    H    ILE  58           H        ILE  58  20.807  16.780  -8.203
  471    HA   ILE  58           HA       ILE  58  18.726  18.258  -9.545
  472    HB   ILE  58           HB       ILE  58  19.942  18.620  -6.787
  473   HG12  ILE  58          HG12      ILE  58  18.877  16.384  -7.113
  474   HG13  ILE  58          HG13      ILE  58  18.109  17.369  -5.883
  475   HG21  ILE  58          HG21      ILE  58  17.749  19.800  -6.267
  476   HG22  ILE  58          HG22      ILE  58  18.839  20.683  -7.336
  477   HG23  ILE  58          HG23      ILE  58  17.438  19.843  -8.018
  478   HD11  ILE  58          HD11      ILE  58  16.218  17.850  -7.319
  479   HD12  ILE  58          HD12      ILE  58  17.032  17.122  -8.718
  480   HD13  ILE  58          HD13      ILE  58  16.515  16.106  -7.358
  481    H    GLU  59           H        GLU  59  18.794  20.168 -10.498
  482    HA   GLU  59           HA       GLU  59  20.915  22.143  -9.920
  483    HB2  GLU  59           HB2      GLU  59  21.397  21.092 -12.107
  484    HB3  GLU  59           HB3      GLU  59  19.738  21.398 -12.636
  485    HG2  GLU  59           HG2      GLU  59  21.280  23.050 -13.572
  486    HG3  GLU  59           HG3      GLU  59  20.103  23.812 -12.508
  487    H    GLU  60           H        GLU  60  19.951  24.341 -10.048
  488    HA   GLU  60           HA       GLU  60  17.000  24.213  -9.504
  489    HB2  GLU  60           HB2      GLU  60  19.209  25.625  -7.972
  490    HB3  GLU  60           HB3      GLU  60  17.482  25.910  -7.729
  491    HG2  GLU  60           HG2      GLU  60  17.147  23.536  -7.159
  492    HG3  GLU  60           HG3      GLU  60  18.869  23.221  -7.375
  493    H    LYS  61           H        LYS  61  15.735  25.642 -10.542
  494    HA   LYS  61           HA       LYS  61  16.872  28.340 -11.147
  495    HB2  LYS  61           HB2      LYS  61  16.998  26.978 -13.216
  496    HB3  LYS  61           HB3      LYS  61  15.278  26.589 -13.082
  497    HG2  LYS  61           HG2      LYS  61  14.648  28.891 -13.509
  498    HG3  LYS  61           HG3      LYS  61  16.312  29.446 -13.289
  499    HD2  LYS  61           HD2      LYS  61  15.741  29.434 -15.655
  500    HD3  LYS  61           HD3      LYS  61  17.030  28.275 -15.311
  501    HE2  LYS  61           HE2      LYS  61  15.296  26.435 -15.288
  502    HE3  LYS  61           HE3      LYS  61  14.078  27.629 -15.760
  503    HZ1  LYS  61           HZ1      LYS  61  16.482  26.905 -17.346
  504    HZ2  LYS  61           HZ2      LYS  61  14.961  26.426 -17.672
  505    HZ3  LYS  61           HZ3      LYS  61  15.362  28.004 -17.802
  506    H    THR  62           H        THR  62  15.296  29.971 -10.741
  507    HA   THR  62           HA       THR  62  12.925  29.000  -9.251
  508    HB   THR  62           HB       THR  62  13.946  31.855  -9.488
  509    HG1  THR  62           HG1      THR  62  15.649  30.838  -8.601
  510   HG21  THR  62          HG21      THR  62  11.690  31.526  -8.520
  511   HG22  THR  62          HG22      THR  62  12.354  30.371  -7.343
  512   HG23  THR  62          HG23      THR  62  12.851  32.081  -7.299
  513    H    VAL  63           H        VAL  63  10.840  29.199 -10.071
  514    HA   VAL  63           HA       VAL  63  10.536  30.677 -12.610
  515    HB   VAL  63           HB       VAL  63   9.556  28.732 -13.691
  516   HG11  VAL  63          HG11      VAL  63  11.974  29.196 -14.036
  517   HG12  VAL  63          HG12      VAL  63  12.358  28.005 -12.772
  518   HG13  VAL  63          HG13      VAL  63  11.531  27.500 -14.257
  519   HG21  VAL  63          HG21      VAL  63   9.809  26.456 -12.834
  520   HG22  VAL  63          HG22      VAL  63  10.530  27.061 -11.329
  521   HG23  VAL  63          HG23      VAL  63   8.832  27.407 -11.715
  522    H    GLU  64           H        GLU  64   8.452  31.041 -13.238
  523    HA   GLU  64           HA       GLU  64   6.326  30.767 -11.150
  524    HB2  GLU  64           HB2      GLU  64   6.727  33.060 -12.046
  525    HB3  GLU  64           HB3      GLU  64   6.378  32.478 -13.680
  526    HG2  GLU  64           HG2      GLU  64   4.085  31.876 -13.009
  527    HG3  GLU  64           HG3      GLU  64   4.444  32.257 -11.326
  528    H    VAL  65           H        VAL  65   5.035  29.053 -11.461
  529    HA   VAL  65           HA       VAL  65   4.978  27.490 -13.950
  530    HB   VAL  65           HB       VAL  65   3.498  27.247 -11.281
  531   HG11  VAL  65          HG11      VAL  65   3.383  25.554 -13.799
  532   HG12  VAL  65          HG12      VAL  65   2.897  24.933 -12.206
  533   HG13  VAL  65          HG13      VAL  65   2.040  26.301 -12.915
  534   HG21  VAL  65          HG21      VAL  65   5.764  25.563 -12.436
  535   HG22  VAL  65          HG22      VAL  65   5.899  26.706 -11.082
  536   HG23  VAL  65          HG23      VAL  65   4.906  25.258 -10.920
  537    H    LEU  66           H        LEU  66   3.777  28.322 -15.578
  538    HA   LEU  66           HA       LEU  66   1.701  30.321 -15.064
  539    HB2  LEU  66           HB2      LEU  66   2.904  29.008 -17.525
  540    HB3  LEU  66           HB3      LEU  66   1.393  29.880 -17.657
  541    HG   LEU  66           HG       LEU  66   3.301  31.253 -18.299
  542   HD11  LEU  66          HD11      LEU  66   2.697  33.271 -17.125
  543   HD12  LEU  66          HD12      LEU  66   1.236  32.302 -17.368
  544   HD13  LEU  66          HD13      LEU  66   2.013  32.362 -15.769
  545   HD21  LEU  66          HD21      LEU  66   4.903  32.126 -16.695
  546   HD22  LEU  66          HD22      LEU  66   4.201  31.166 -15.386
  547   HD23  LEU  66          HD23      LEU  66   5.011  30.356 -16.742
  548    H    GLY  67           H        GLY  67   1.813  26.810 -15.713
  549    HA2  GLY  67           HA2      GLY  67  -0.580  26.181 -14.570
  550    HA3  GLY  67           HA3      GLY  67  -0.982  26.507 -16.271
  551    H    MET  68           H        MET  68  -1.461  24.068 -15.716
  552    HA   MET  68           HA       MET  68   0.724  22.171 -15.995
  553    HB2  MET  68           HB2      MET  68  -2.258  21.948 -16.604
  554    HB3  MET  68           HB3      MET  68  -1.115  20.612 -16.732
  555    HG2  MET  68           HG2      MET  68  -1.673  22.148 -14.170
  556    HG3  MET  68           HG3      MET  68  -2.438  20.628 -14.612
  557    HE1  MET  68           HE1      MET  68   0.325  17.969 -14.254
  558    HE2  MET  68           HE2      MET  68  -1.398  18.307 -14.529
  559    HE3  MET  68           HE3      MET  68  -0.189  18.736 -15.767
  560    H    ALA  69           H        ALA  69   1.365  21.071 -17.875
  561    HA   ALA  69           HA       ALA  69   1.463  22.661 -20.295
  562    HB1  ALA  69           HB1      ALA  69   2.219  19.758 -19.823
  563    HB2  ALA  69           HB2      ALA  69   2.787  20.778 -21.148
  564    HB3  ALA  69           HB3      ALA  69   3.296  21.145 -19.495
  565    HA   PRO  70           HA       PRO  70  -1.998  21.056 -22.629
  566    HB2  PRO  70           HB2      PRO  70   0.036  20.041 -24.629
  567    HB3  PRO  70           HB3      PRO  70  -1.497  20.921 -24.933
  568    HG2  PRO  70           HG2      PRO  70   0.857  22.251 -25.007
  569    HG3  PRO  70           HG3      PRO  70  -0.547  22.981 -24.159
  570    HD2  PRO  70           HD2      PRO  70   1.800  21.490 -22.978
  571    HD3  PRO  70           HD3      PRO  70   1.028  23.004 -22.414
  572    H    ASP  71           H        ASP  71  -3.110  19.141 -23.111
  573    HA   ASP  71           HA       ASP  71  -2.612  16.906 -21.563
  574    HB2  ASP  71           HB2      ASP  71  -4.453  15.922 -22.519
  575    HB3  ASP  71           HB3      ASP  71  -4.787  17.641 -22.664
  576    H    ASP  72           H        ASP  72  -1.444  17.555 -24.842
  577    HA   ASP  72           HA       ASP  72  -0.802  14.913 -25.622
  578    HB2  ASP  72           HB2      ASP  72  -0.858  16.816 -27.174
  579    HB3  ASP  72           HB3      ASP  72   0.535  17.540 -26.364
  580    H    GLU  73           H        GLU  73   0.884  17.148 -23.494
  581    HA   GLU  73           HA       GLU  73   3.294  15.391 -23.346
  582    HB2  GLU  73           HB2      GLU  73   2.606  18.085 -22.089
  583    HB3  GLU  73           HB3      GLU  73   4.067  17.175 -21.714
  584    HG2  GLU  73           HG2      GLU  73   3.356  18.122 -24.524
  585    HG3  GLU  73           HG3      GLU  73   4.352  19.023 -23.392
  586    H    CYS  74           H        CYS  74   0.519  16.603 -21.453
  587    HA   CYS  74           HA       CYS  74   1.233  15.224 -19.074
  588    HB2  CYS  74           HB2      CYS  74  -1.294  16.595 -20.015
  589    HB3  CYS  74           HB3      CYS  74  -1.133  15.886 -18.406
  590    HG   CYS  74           HG       CYS  74  -0.605  18.687 -19.001
  591    H    LEU  75           H        LEU  75   0.576  13.657 -21.741
  592    HA   LEU  75           HA       LEU  75  -1.033  11.445 -20.564
  593    HB2  LEU  75           HB2      LEU  75   0.107  12.093 -23.306
  594    HB3  LEU  75           HB3      LEU  75  -0.394  10.453 -22.926
  595    HG   LEU  75           HG       LEU  75  -2.317  12.767 -22.571
  596   HD11  LEU  75          HD11      LEU  75  -3.198  12.249 -24.807
  597   HD12  LEU  75          HD12      LEU  75  -1.519  12.804 -24.890
  598   HD13  LEU  75          HD13      LEU  75  -1.885  11.073 -25.065
  599   HD21  LEU  75          HD21      LEU  75  -2.743   9.797 -23.056
  600   HD22  LEU  75          HD22      LEU  75  -2.894  10.602 -21.480
  601   HD23  LEU  75          HD23      LEU  75  -4.009  11.013 -22.789
  602    H    LYS  76           H        LYS  76   2.234  12.518 -20.825
  603    HA   LYS  76           HA       LYS  76   3.358   9.756 -20.967
  604    HB2  LYS  76           HB2      LYS  76   4.700  12.467 -21.292
  605    HB3  LYS  76           HB3      LYS  76   5.420  10.899 -21.639
  606    HG2  LYS  76           HG2      LYS  76   3.954  10.577 -23.558
  607    HG3  LYS  76           HG3      LYS  76   2.994  12.008 -23.138
  608    HD2  LYS  76           HD2      LYS  76   5.001  13.447 -23.428
  609    HD3  LYS  76           HD3      LYS  76   5.914  12.029 -23.992
  610    HE2  LYS  76           HE2      LYS  76   4.376  11.743 -25.880
  611    HE3  LYS  76           HE3      LYS  76   3.311  13.005 -25.246
  612    HZ1  LYS  76           HZ1      LYS  76   6.062  13.458 -26.228
  613    HZ2  LYS  76           HZ2      LYS  76   4.683  13.875 -26.999
  614    HZ3  LYS  76           HZ3      LYS  76   5.082  14.619 -25.596
  615    H    ASP  77           H        ASP  77   3.464  12.774 -19.094
  616    HA   ASP  77           HA       ASP  77   4.162  11.526 -16.590
  617    HB2  ASP  77           HB2      ASP  77   6.401  12.023 -17.961
  618    HB3  ASP  77           HB3      ASP  77   6.056  13.695 -17.543
  619    H    MET  78           H        MET  78   4.337  13.758 -15.051
  620    HA   MET  78           HA       MET  78   2.128  15.547 -16.027
  621    HB2  MET  78           HB2      MET  78   3.427  15.244 -13.315
  622    HB3  MET  78           HB3      MET  78   2.309  16.550 -13.729
  623    HG2  MET  78           HG2      MET  78   1.621  13.588 -13.865
  624    HG3  MET  78           HG3      MET  78   1.252  14.662 -12.527
  625    HE1  MET  78           HE1      MET  78   0.744  13.630 -16.057
  626    HE2  MET  78           HE2      MET  78  -1.010  13.798 -16.245
  627    HE3  MET  78           HE3      MET  78   0.074  15.113 -16.748
  628    H    TYR  79           H        TYR  79   2.518  17.593 -16.706
  629    HA   TYR  79           HA       TYR  79   5.267  18.674 -16.490
  630    HB2  TYR  79           HB2      TYR  79   3.609  18.286 -19.007
  631    HB3  TYR  79           HB3      TYR  79   4.949  19.417 -18.914
  632    HD1  TYR  79           HD1      TYR  79   7.275  18.654 -18.812
  633    HD2  TYR  79           HD2      TYR  79   3.986  15.893 -19.204
  634    HE1  TYR  79           HE1      TYR  79   8.838  16.917 -19.631
  635    HE2  TYR  79           HE2      TYR  79   5.527  14.163 -20.034
  636    HH   TYR  79           HH       TYR  79   7.747  13.618 -20.553
  637    H    VAL  80           H        VAL  80   5.350  20.923 -16.829
  638    HA   VAL  80           HA       VAL  80   2.829  22.477 -16.600
  639    HB   VAL  80           HB       VAL  80   4.194  23.800 -14.812
  640   HG11  VAL  80          HG11      VAL  80   2.885  21.146 -14.105
  641   HG12  VAL  80          HG12      VAL  80   3.184  22.499 -12.987
  642   HG13  VAL  80          HG13      VAL  80   2.072  22.711 -14.335
  643   HG21  VAL  80          HG21      VAL  80   5.439  21.066 -14.302
  644   HG22  VAL  80          HG22      VAL  80   6.299  22.467 -14.971
  645   HG23  VAL  80          HG23      VAL  80   5.627  22.542 -13.335
  646    H    GLU  81           H        GLU  81   3.000  24.554 -17.386
  647    HA   GLU  81           HA       GLU  81   5.351  25.150 -19.110
  648    HB2  GLU  81           HB2      GLU  81   2.681  26.575 -18.689
  649    HB3  GLU  81           HB3      GLU  81   4.008  27.194 -19.686
  650    HG2  GLU  81           HG2      GLU  81   3.906  25.091 -21.059
  651    HG3  GLU  81           HG3      GLU  81   2.489  24.594 -20.133
  652    H    VAL  82           H        VAL  82   6.923  26.573 -18.348
  653    HA   VAL  82           HA       VAL  82   6.362  28.034 -15.832
  654    HB   VAL  82           HB       VAL  82   8.315  27.233 -14.754
  655   HG11  VAL  82          HG11      VAL  82   7.768  24.966 -14.252
  656   HG12  VAL  82          HG12      VAL  82   6.248  25.799 -14.616
  657   HG13  VAL  82          HG13      VAL  82   6.977  24.730 -15.821
  658   HG21  VAL  82          HG21      VAL  82   8.929  25.504 -17.187
  659   HG22  VAL  82          HG22      VAL  82   9.875  26.900 -16.619
  660   HG23  VAL  82          HG23      VAL  82   9.777  25.450 -15.625
  661    H    ALA  83           H        ALA  83   7.637  29.926 -15.509
  662    HA   ALA  83           HA       ALA  83   9.323  30.765 -17.837
  663    HB1  ALA  83           HB1      ALA  83   7.054  31.791 -17.922
  664    HB2  ALA  83           HB2      ALA  83   7.306  32.442 -16.285
  665    HB3  ALA  83           HB3      ALA  83   8.324  32.989 -17.630
  666    H    ASP  84           H        ASP  84  11.180  31.850 -17.291
  667    HA   ASP  84           HA       ASP  84  12.216  31.304 -14.656
  668    HB2  ASP  84           HB2      ASP  84  13.718  31.098 -16.486
  669    HB3  ASP  84           HB3      ASP  84  13.241  32.661 -17.159
  670    H    ILE  85           H        ILE  85  12.141  32.489 -12.899
  671    HA   ILE  85           HA       ILE  85  11.375  35.340 -12.972
  672    HB   ILE  85           HB       ILE  85  11.777  33.588 -10.537
  673   HG12  ILE  85          HG12      ILE  85   9.122  34.312 -11.869
  674   HG13  ILE  85          HG13      ILE  85   9.893  32.737 -11.982
  675   HG21  ILE  85          HG21      ILE  85  11.889  36.138 -10.260
  676   HG22  ILE  85          HG22      ILE  85  10.224  36.206 -10.862
  677   HG23  ILE  85          HG23      ILE  85  10.609  35.372  -9.341
  678   HD11  ILE  85          HD11      ILE  85   9.786  32.481  -9.516
  679   HD12  ILE  85          HD12      ILE  85   8.880  34.012  -9.410
  680   HD13  ILE  85          HD13      ILE  85   8.189  32.642 -10.265
  681    H    GLY  86           H        GLY  86  13.488  35.310 -14.251
  682    HA2  GLY  86           HA2      GLY  86  15.551  36.485 -12.457
  683    HA3  GLY  86           HA3      GLY  86  16.052  35.182 -13.552
  684    H    GLY  87           H        GLY  87  14.787  35.641 -15.869
  685    HA2  GLY  87           HA2      GLY  87  14.423  38.369 -16.687
  686    HA3  GLY  87           HA3      GLY  87  16.052  37.815 -17.114
  687    H    LYS  88           H        LYS  88  14.833  34.941 -17.462
  688    HA   LYS  88           HA       LYS  88  14.084  35.353 -20.300
  689    HB2  LYS  88           HB2      LYS  88  14.972  32.936 -18.680
  690    HB3  LYS  88           HB3      LYS  88  14.243  32.774 -20.268
  691    HG2  LYS  88           HG2      LYS  88  16.585  32.695 -20.571
  692    HG3  LYS  88           HG3      LYS  88  15.960  34.161 -21.297
  693    HD2  LYS  88           HD2      LYS  88  18.106  34.583 -20.229
  694    HD3  LYS  88           HD3      LYS  88  16.848  35.514 -19.456
  695    HE2  LYS  88           HE2      LYS  88  18.234  34.687 -17.712
  696    HE3  LYS  88           HE3      LYS  88  16.743  33.751 -17.623
  697    HZ1  LYS  88           HZ1      LYS  88  18.702  32.352 -17.421
  698    HZ2  LYS  88           HZ2      LYS  88  17.917  31.945 -18.791
  699    HZ3  LYS  88           HZ3      LYS  88  19.285  32.839 -18.858
  700    H    ASP  89           H        ASP  89  12.248  36.150 -18.120
  701    HA   ASP  89           HA       ASP  89  10.038  34.405 -17.848
  702    HB2  ASP  89           HB2      ASP  89  10.274  36.427 -16.520
  703    HB3  ASP  89           HB3      ASP  89  10.242  37.434 -17.967
  704    H    ASP  90           H        ASP  90  11.052  36.550 -20.483
  705    HA   ASP  90           HA       ASP  90   8.644  36.435 -22.038
  706    HB2  ASP  90           HB2      ASP  90  10.351  38.219 -22.191
  707    HB3  ASP  90           HB3      ASP  90  11.522  37.054 -22.811
  708    H    ASP  91           H        ASP  91  10.977  33.994 -21.441
  709    HA   ASP  91           HA       ASP  91  10.466  32.623 -24.040
  710    HB2  ASP  91           HB2      ASP  91  12.713  33.559 -24.005
  711    HB3  ASP  91           HB3      ASP  91  13.047  32.762 -22.463
  712    H    VAL  92           H        VAL  92   8.658  32.067 -22.531
  713    HA   VAL  92           HA       VAL  92   8.836  30.443 -20.285
  714    HB   VAL  92           HB       VAL  92   6.712  30.241 -22.442
  715   HG11  VAL  92          HG11      VAL  92   6.449  28.591 -20.608
  716   HG12  VAL  92          HG12      VAL  92   6.483  29.912 -19.420
  717   HG13  VAL  92          HG13      VAL  92   5.158  29.788 -20.591
  718   HG21  VAL  92          HG21      VAL  92   6.943  32.624 -22.002
  719   HG22  VAL  92          HG22      VAL  92   5.498  32.052 -21.183
  720   HG23  VAL  92          HG23      VAL  92   6.980  32.340 -20.250
  721    H    TYR  93           H        TYR  93   8.870  28.256 -19.922
  722    HA   TYR  93           HA       TYR  93   9.830  26.433 -22.078
  723    HB2  TYR  93           HB2      TYR  93  10.444  26.296 -19.102
  724    HB3  TYR  93           HB3      TYR  93  11.207  25.386 -20.384
  725    HD1  TYR  93           HD1      TYR  93  12.927  26.442 -21.852
  726    HD2  TYR  93           HD2      TYR  93  11.171  28.511 -18.495
  727    HE1  TYR  93           HE1      TYR  93  14.845  28.013 -21.820
  728    HE2  TYR  93           HE2      TYR  93  13.071  30.093 -18.466
  729    HH   TYR  93           HH       TYR  93  15.134  30.645 -19.392
  730    H    THR  94           H        THR  94   9.649  24.105 -21.074
  731    HA   THR  94           HA       THR  94   7.155  23.728 -19.496
  732    HB   THR  94           HB       THR  94   7.915  21.758 -21.663
  733    HG1  THR  94           HG1      THR  94   7.482  23.736 -22.691
  734   HG21  THR  94          HG21      THR  94   5.566  21.090 -21.453
  735   HG22  THR  94          HG22      THR  94   6.363  21.032 -19.872
  736   HG23  THR  94          HG23      THR  94   5.281  22.385 -20.266
  737    H    ALA  95           H        ALA  95   7.481  22.421 -17.793
  738    HA   ALA  95           HA       ALA  95  10.099  21.013 -17.491
  739    HB1  ALA  95           HB1      ALA  95  10.125  23.127 -16.216
  740    HB2  ALA  95           HB2      ALA  95   8.582  22.706 -15.444
  741    HB3  ALA  95           HB3      ALA  95  10.030  21.742 -15.109
  742    H    LYS  96           H        LYS  96   9.936  19.196 -15.978
  743    HA   LYS  96           HA       LYS  96   7.377  17.757 -16.119
  744    HB2  LYS  96           HB2      LYS  96  10.041  17.191 -14.738
  745    HB3  LYS  96           HB3      LYS  96   8.650  16.115 -14.687
  746    HG2  LYS  96           HG2      LYS  96   8.779  15.547 -16.950
  747    HG3  LYS  96           HG3      LYS  96   9.799  16.928 -17.374
  748    HD2  LYS  96           HD2      LYS  96  10.766  14.784 -15.455
  749    HD3  LYS  96           HD3      LYS  96  10.927  14.595 -17.209
  750    HE2  LYS  96           HE2      LYS  96  12.405  16.395 -17.448
  751    HE3  LYS  96           HE3      LYS  96  11.887  17.164 -15.944
  752    HZ1  LYS  96           HZ1      LYS  96  13.455  14.662 -16.008
  753    HZ2  LYS  96           HZ2      LYS  96  14.079  16.168 -15.743
  754    HZ3  LYS  96           HZ3      LYS  96  13.019  15.567 -14.678
  755    H    LEU  97           H        LEU  97   5.904  17.778 -14.438
  756    HA   LEU  97           HA       LEU  97   6.194  19.612 -12.208
  757    HB2  LEU  97           HB2      LEU  97   3.982  18.826 -13.122
  758    HB3  LEU  97           HB3      LEU  97   4.358  17.210 -12.509
  759    HG   LEU  97           HG       LEU  97   4.396  18.096 -10.177
  760   HD11  LEU  97          HD11      LEU  97   5.012  20.433 -10.517
  761   HD12  LEU  97          HD12      LEU  97   3.558  20.714 -11.504
  762   HD13  LEU  97          HD13      LEU  97   3.416  20.378  -9.772
  763   HD21  LEU  97          HD21      LEU  97   1.864  18.756 -11.729
  764   HD22  LEU  97          HD22      LEU  97   2.344  17.146 -11.137
  765   HD23  LEU  97          HD23      LEU  97   1.978  18.433  -9.983
  766    H    SER  98           H        SER  98   7.044  16.298 -12.935
  767    HA   SER  98           HA       SER  98   7.733  15.319 -10.355
  768    HB2  SER  98           HB2      SER  98   8.748  14.558 -13.133
  769    HB3  SER  98           HB3      SER  98   8.764  13.531 -11.690
  770    HG   SER  98           HG       SER  98   6.824  13.572 -13.392
  771    H    ASP  99           H        ASP  99   9.139  17.934 -11.910
  772    HA   ASP  99           HA       ASP  99  11.744  17.562 -10.505
  773    HB2  ASP  99           HB2      ASP  99  11.165  18.633 -13.298
  774    HB3  ASP  99           HB3      ASP  99  12.582  19.129 -12.404
  775    H    ILE 100           H        ILE 100   8.908  19.023 -10.080
  776    HA   ILE 100           HA       ILE 100   9.997  21.763  -9.608
  777    HB   ILE 100           HB       ILE 100   7.466  20.756 -10.821
  778   HG12  ILE 100          HG12      ILE 100   9.540  21.868 -11.933
  779   HG13  ILE 100          HG13      ILE 100   7.913  22.254 -12.491
  780   HG21  ILE 100          HG21      ILE 100   7.428  23.340  -9.226
  781   HG22  ILE 100          HG22      ILE 100   6.226  22.846 -10.437
  782   HG23  ILE 100          HG23      ILE 100   6.434  21.892  -8.968
  783   HD11  ILE 100          HD11      ILE 100   7.966  24.410 -11.407
  784   HD12  ILE 100          HD12      ILE 100   9.488  24.011 -10.580
  785   HD13  ILE 100          HD13      ILE 100   9.449  24.201 -12.346
  786    H    GLU 101           H        GLU 101   9.456  22.777  -7.774
  787    HA   GLU 101           HA       GLU 101   7.899  21.336  -5.692
  788    HB2  GLU 101           HB2      GLU 101  10.349  20.938  -5.372
  789    HB3  GLU 101           HB3      GLU 101  10.602  22.685  -5.246
  790    HG2  GLU 101           HG2      GLU 101   9.078  22.738  -3.270
  791    HG3  GLU 101           HG3      GLU 101   8.837  20.994  -3.415
  792    H    ALA 102           H        ALA 102   6.284  22.701  -5.059
  793    HA   ALA 102           HA       ALA 102   6.182  25.391  -6.143
  794    HB1  ALA 102           HB1      ALA 102   4.196  23.945  -5.991
  795    HB2  ALA 102           HB2      ALA 102   4.320  23.937  -4.211
  796    HB3  ALA 102           HB3      ALA 102   3.972  25.439  -5.090
  797    H    ILE 103           H        ILE 103   6.159  27.346  -5.044
  798    HA   ILE 103           HA       ILE 103   7.233  27.368  -2.253
  799    HB   ILE 103           HB       ILE 103   7.722  29.242  -4.593
  800   HG12  ILE 103          HG12      ILE 103   9.757  27.546  -3.074
  801   HG13  ILE 103          HG13      ILE 103   9.020  27.031  -4.583
  802   HG21  ILE 103          HG21      ILE 103   9.229  30.504  -3.093
  803   HG22  ILE 103          HG22      ILE 103   7.599  30.511  -2.457
  804   HG23  ILE 103          HG23      ILE 103   8.809  29.422  -1.746
  805   HD11  ILE 103          HD11      ILE 103  11.157  27.983  -5.095
  806   HD12  ILE 103          HD12      ILE 103   9.916  29.078  -5.716
  807   HD13  ILE 103          HD13      ILE 103  10.805  29.470  -4.222
  808    H    ASP 104           H        ASP 104   6.027  28.337  -0.812
  809    HA   ASP 104           HA       ASP 104   4.348  29.393   0.226
  810    HB2  ASP 104           HB2      ASP 104   6.058  31.102  -0.262
  811    HB3  ASP 104           HB3      ASP 104   5.157  31.588  -1.698
  812    H    VAL 105           H        VAL 105   3.243  27.718  -1.779
  813    HA   VAL 105           HA       VAL 105   1.049  29.233  -3.037
  814    HB   VAL 105           HB       VAL 105   0.426  27.071  -3.995
  815   HG11  VAL 105          HG11      VAL 105   2.098  28.633  -5.027
  816   HG12  VAL 105          HG12      VAL 105   3.383  27.584  -4.417
  817   HG13  VAL 105          HG13      VAL 105   2.186  26.941  -5.563
  818   HG21  VAL 105          HG21      VAL 105   2.904  25.894  -2.647
  819   HG22  VAL 105          HG22      VAL 105   1.219  25.558  -2.198
  820   HG23  VAL 105          HG23      VAL 105   1.813  25.082  -3.789
  821    H    ASP 106           H        ASP 106  -1.172  28.014  -2.884
  822    HA   ASP 106           HA       ASP 106  -2.100  28.081  -0.135
  823    HB2  ASP 106           HB2      ASP 106  -3.508  28.627  -2.192
  824    HB3  ASP 106           HB3      ASP 106  -3.481  26.879  -2.538
  825    H    ASP 107           H        ASP 107  -3.332  26.181   0.660
  826    HA   ASP 107           HA       ASP 107  -1.519  23.954   1.135
  827    HB2  ASP 107           HB2      ASP 107  -3.018  24.770   2.886
  828    HB3  ASP 107           HB3      ASP 107  -4.429  24.432   1.879
  829    H    ASP 108           H        ASP 108  -4.490  24.445  -0.879
  830    HA   ASP 108           HA       ASP 108  -4.692  21.628  -1.445
  831    HB2  ASP 108           HB2      ASP 108  -6.479  23.552  -1.584
  832    HB3  ASP 108           HB3      ASP 108  -5.847  23.787  -3.219
  833    H    THR 109           H        THR 109  -3.037  24.364  -2.989
  834    HA   THR 109           HA       THR 109  -2.287  22.944  -5.426
  835    HB   THR 109           HB       THR 109  -1.241  25.462  -4.059
  836    HG1  THR 109           HG1      THR 109  -3.416  25.517  -4.835
  837   HG21  THR 109          HG21      THR 109  -0.205  26.105  -6.138
  838   HG22  THR 109          HG22      THR 109   0.444  24.514  -5.712
  839   HG23  THR 109          HG23      THR 109  -0.808  24.673  -6.966
  840    H    GLN 110           H        GLN 110  -0.736  23.661  -2.200
  841    HA   GLN 110           HA       GLN 110   1.703  22.369  -2.777
  842    HB2  GLN 110           HB2      GLN 110   0.977  23.863  -0.745
  843    HB3  GLN 110           HB3      GLN 110   0.448  22.362  -0.003
  844    HG2  GLN 110           HG2      GLN 110   3.258  22.974  -1.040
  845    HG3  GLN 110           HG3      GLN 110   2.756  23.104   0.639
  846   HE21  GLN 110          HE22      GLN 110   4.404  21.087  -1.442
  847   HE22  GLN 110          HE21      GLN 110   4.107  19.556  -0.659
  848    H    GLU 111           H        GLU 111  -1.362  21.058  -1.385
  849    HA   GLU 111           HA       GLU 111  -0.441  18.442  -0.958
  850    HB2  GLU 111           HB2      GLU 111  -3.167  19.662  -1.485
  851    HB3  GLU 111           HB3      GLU 111  -3.007  17.914  -1.356
  852    HG2  GLU 111           HG2      GLU 111  -1.884  19.735   0.793
  853    HG3  GLU 111           HG3      GLU 111  -3.586  19.266   0.766
  854    H    ALA 112           H        ALA 112  -1.712  19.902  -3.963
  855    HA   ALA 112           HA       ALA 112  -1.790  17.450  -5.428
  856    HB1  ALA 112           HB1      ALA 112  -1.323  20.288  -6.414
  857    HB2  ALA 112           HB2      ALA 112  -1.750  18.895  -7.428
  858    HB3  ALA 112           HB3      ALA 112  -2.894  19.487  -6.207
  859    H    ILE 113           H        ILE 113   0.886  19.836  -4.964
  860    HA   ILE 113           HA       ILE 113   2.774  18.418  -6.627
  861    HB   ILE 113           HB       ILE 113   3.003  20.517  -4.460
  862   HG12  ILE 113          HG12      ILE 113   4.373  21.554  -6.540
  863   HG13  ILE 113          HG13      ILE 113   3.466  20.361  -7.460
  864   HG21  ILE 113          HG21      ILE 113   4.995  19.156  -4.049
  865   HG22  ILE 113          HG22      ILE 113   5.411  19.232  -5.785
  866   HG23  ILE 113          HG23      ILE 113   5.398  20.703  -4.777
  867   HD11  ILE 113          HD11      ILE 113   2.307  22.456  -5.593
  868   HD12  ILE 113          HD12      ILE 113   2.388  22.597  -7.367
  869   HD13  ILE 113          HD13      ILE 113   1.374  21.341  -6.624
  870    H    ALA 114           H        ALA 114   2.111  18.353  -3.092
  871    HA   ALA 114           HA       ALA 114   4.197  16.580  -2.422
  872    HB1  ALA 114           HB1      ALA 114   2.925  17.939  -0.768
  873    HB2  ALA 114           HB2      ALA 114   1.484  16.943  -1.056
  874    HB3  ALA 114           HB3      ALA 114   2.938  16.222  -0.341
  875    H    ASP 115           H        ASP 115   0.753  15.957  -3.199
  876    HA   ASP 115           HA       ASP 115   0.826  13.143  -2.827
  877    HB2  ASP 115           HB2      ASP 115  -1.242  14.595  -3.052
  878    HB3  ASP 115           HB3      ASP 115  -0.945  14.656  -4.789
  879    H    TRP 116           H        TRP 116   1.535  15.165  -5.668
  880    HA   TRP 116           HA       TRP 116   1.768  12.960  -7.500
  881    HB2  TRP 116           HB2      TRP 116   1.364  15.252  -8.279
  882    HB3  TRP 116           HB3      TRP 116   2.916  15.780  -7.617
  883    HD1  TRP 116           HD1      TRP 116   4.807  15.816  -9.326
  884    HE1  TRP 116           HE1      TRP 116   5.477  14.471 -11.412
  885    HE3  TRP 116           HE3      TRP 116   0.802  12.616  -9.580
  886    HZ2  TRP 116           HZ2      TRP 116   4.431  12.319 -12.970
  887    HZ3  TRP 116           HZ3      TRP 116   0.736  10.849 -11.310
  888    HH2  TRP 116           HH2      TRP 116   2.549  10.676 -12.999
  889    H    LEU 117           H        LEU 117   4.109  14.737  -5.435
  890    HA   LEU 117           HA       LEU 117   6.401  13.267  -6.353
  891    HB2  LEU 117           HB2      LEU 117   5.860  14.816  -3.793
  892    HB3  LEU 117           HB3      LEU 117   7.415  14.084  -4.171
  893    HG   LEU 117           HG       LEU 117   6.069  16.175  -5.941
  894   HD11  LEU 117          HD11      LEU 117   7.680  17.768  -4.999
  895   HD12  LEU 117          HD12      LEU 117   6.623  17.111  -3.741
  896   HD13  LEU 117          HD13      LEU 117   8.293  16.517  -3.891
  897   HD21  LEU 117          HD21      LEU 117   8.330  16.418  -6.932
  898   HD22  LEU 117          HD22      LEU 117   8.894  15.037  -5.966
  899   HD23  LEU 117          HD23      LEU 117   7.649  14.820  -7.217
  900    H    TYR 118           H        TYR 118   3.960  12.616  -3.777
  901    HA   TYR 118           HA       TYR 118   5.307  10.332  -2.720
  902    HB2  TYR 118           HB2      TYR 118   2.300  10.647  -2.992
  903    HB3  TYR 118           HB3      TYR 118   3.154   9.582  -1.904
  904    HD1  TYR 118           HD1      TYR 118   5.221  12.027  -1.118
  905    HD2  TYR 118           HD2      TYR 118   0.943  11.422  -1.153
  906    HE1  TYR 118           HE1      TYR 118   4.974  13.708   0.659
  907    HE2  TYR 118           HE2      TYR 118   0.689  13.137   0.608
  908    HH   TYR 118           HH       TYR 118   3.498  14.829   2.082
  909    H    TRP 119           H        TRP 119   2.877  10.598  -5.405
  910    HA   TRP 119           HA       TRP 119   2.867   7.818  -6.013
  911    HB2  TRP 119           HB2      TRP 119   1.106   9.262  -6.671
  912    HB3  TRP 119           HB3      TRP 119   2.195  10.334  -7.548
  913    HD1  TRP 119           HD1      TRP 119   3.309   9.311  -9.808
  914    HE1  TRP 119           HE1      TRP 119   2.351   7.803 -11.605
  915    HE3  TRP 119           HE3      TRP 119  -0.696   7.505  -7.200
  916    HZ2  TRP 119           HZ2      TRP 119   0.043   5.989 -11.883
  917    HZ3  TRP 119           HZ3      TRP 119  -2.323   5.988  -8.296
  918    HH2  TRP 119           HH2      TRP 119  -1.967   5.234 -10.628
  919    H    LEU 120           H        LEU 120   4.951  10.507  -7.228
  920    HA   LEU 120           HA       LEU 120   6.354   8.970  -9.147
  921    HB2  LEU 120           HB2      LEU 120   6.388  11.468  -8.897
  922    HB3  LEU 120           HB3      LEU 120   7.323  11.282  -7.415
  923    HG   LEU 120           HG       LEU 120   9.137  10.142  -8.770
  924   HD11  LEU 120          HD11      LEU 120   7.422  11.093 -11.118
  925   HD12  LEU 120          HD12      LEU 120   9.099  10.518 -11.240
  926   HD13  LEU 120          HD13      LEU 120   7.831   9.407 -10.728
  927   HD21  LEU 120          HD21      LEU 120   9.296  12.487  -8.118
  928   HD22  LEU 120          HD22      LEU 120   9.947  12.278  -9.749
  929   HD23  LEU 120          HD23      LEU 120   8.324  12.979  -9.517
  930    H    ALA 121           H        ALA 121   7.118   9.644  -5.677
  931    HA   ALA 121           HA       ALA 121   9.445   8.003  -5.587
  932    HB1  ALA 121           HB1      ALA 121   9.024   9.789  -3.971
  933    HB2  ALA 121           HB2      ALA 121   7.569   8.957  -3.383
  934    HB3  ALA 121           HB3      ALA 121   9.173   8.236  -3.122
  935    H    ARG 122           H        ARG 122   6.015   7.205  -5.310
  936    HA   ARG 122           HA       ARG 122   6.287   4.629  -4.082
  937    HB2  ARG 122           HB2      ARG 122   4.196   5.939  -4.191
  938    HB3  ARG 122           HB3      ARG 122   4.169   5.791  -5.938
  939    HG2  ARG 122           HG2      ARG 122   2.504   4.416  -4.930
  940    HG3  ARG 122           HG3      ARG 122   3.649   3.416  -5.804
  941    HD2  ARG 122           HD2      ARG 122   3.913   3.888  -2.810
  942    HD3  ARG 122           HD3      ARG 122   2.792   2.673  -3.454
  943    HE   ARG 122           HE       ARG 122   5.223   2.192  -4.716
  944   HH11  ARG 122          HH11      ARG 122   4.038   2.165  -1.336
  945   HH12  ARG 122          HH12      ARG 122   5.405   1.248  -0.779
  946   HH21  ARG 122          HH21      ARG 122   6.671   0.571  -4.021
  947   HH22  ARG 122          HH22      ARG 122   6.658   0.015  -2.382
  948    H    GLY 123           H        GLY 123   7.251   5.757  -7.194
  949    HA2  GLY 123           HA2      GLY 123   8.248   4.601  -8.928
  950    HA3  GLY 123           HA3      GLY 123   7.951   3.057  -8.099
  951    H    TYR 124           H        TYR 124   5.552   5.609  -8.771
  952    HA   TYR 124           HA       TYR 124   3.537   5.650  -9.705
  953    HB2  TYR 124           HB2      TYR 124   5.314   4.323 -11.703
  954    HB3  TYR 124           HB3      TYR 124   3.606   4.334 -12.061
  955    HD1  TYR 124           HD2      TYR 124   5.184   7.230 -10.293
  956    HD2  TYR 124           HD1      TYR 124   3.918   5.542 -14.051
  957    HE1  TYR 124           HE2      TYR 124   5.452   9.429 -11.347
  958    HE2  TYR 124           HE1      TYR 124   4.263   7.736 -15.146
  959    HH   TYR 124           HH       TYR 124   5.496  10.603 -13.406
  960    H    LYS 125           H        LYS 125   1.783   4.225 -10.895
  961    HA   LYS 125           HA       LYS 125   1.740   1.491  -9.731
  962    HB2  LYS 125           HB2      LYS 125  -0.716   3.284  -9.682
  963    HB3  LYS 125           HB3      LYS 125  -0.574   1.641  -9.068
  964    HG2  LYS 125           HG2      LYS 125   1.153   2.486  -7.406
  965    HG3  LYS 125           HG3      LYS 125   0.803   4.126  -7.972
  966    HD2  LYS 125           HD2      LYS 125  -0.444   3.786  -5.971
  967    HD3  LYS 125           HD3      LYS 125  -1.605   3.784  -7.308
  968    HE2  LYS 125           HE2      LYS 125  -1.641   1.291  -7.266
  969    HE3  LYS 125           HE3      LYS 125  -0.433   1.298  -5.973
  970    HZ1  LYS 125           HZ1      LYS 125  -3.174   2.392  -5.759
  971    HZ2  LYS 125           HZ2      LYS 125  -2.622   1.023  -5.059
  972    HZ3  LYS 125           HZ3      LYS 125  -2.034   2.477  -4.576
  973    H    PHE 126           H        PHE 126   1.582   3.296 -12.496
  974    HA   PHE 126           HA       PHE 126   0.418   1.068 -14.059
  975    HB2  PHE 126           HB2      PHE 126  -0.233   4.015 -14.231
  976    HB3  PHE 126           HB3      PHE 126  -0.390   2.945 -15.624
  977    HD1  PHE 126           HD2      PHE 126  -1.625   3.346 -12.086
  978    HD2  PHE 126           HD1      PHE 126  -2.516   2.199 -16.146
  979    HE1  PHE 126           HE2      PHE 126  -4.027   3.284 -11.540
  980    HE2  PHE 126           HE1      PHE 126  -4.928   2.178 -15.607
  981    HZ   PHE 126           HZ       PHE 126  -5.700   2.692 -13.293
  Start of MODEL   18
    1    H1   MET   1           H1       MET   1   7.497  -0.773  -5.610
    2    H2   MET   1           H2       MET   1   6.273  -0.317  -6.614
    3    H3   MET   1           H3       MET   1   7.487   0.731  -6.267
    4    HA   MET   1           HA       MET   1   5.631   1.409  -5.060
    5    HB2  MET   1           HB2      MET   1   4.516  -0.847  -5.066
    6    HB3  MET   1           HB3      MET   1   5.609  -1.362  -3.774
    7    HG2  MET   1           HG2      MET   1   4.692   0.376  -2.289
    8    HG3  MET   1           HG3      MET   1   3.699   1.011  -3.610
    9    HE1  MET   1           HE1      MET   1   2.578   0.436  -0.751
   10    HE2  MET   1           HE2      MET   1   1.568   1.008  -2.100
   11    HE3  MET   1           HE3      MET   1   1.048  -0.386  -1.129
   12    H    ALA   2           H        ALA   2   5.883   2.362  -2.905
   13    HA   ALA   2           HA       ALA   2   8.159   1.512  -1.262
   14    HB1  ALA   2           HB1      ALA   2   9.093   3.321  -2.729
   15    HB2  ALA   2           HB2      ALA   2   7.771   4.399  -2.221
   16    HB3  ALA   2           HB3      ALA   2   8.966   3.837  -1.036
   17    H    SER   3           H        SER   3   7.710   2.012   0.932
   18    HA   SER   3           HA       SER   3   4.915   2.230   1.582
   19    HB2  SER   3           HB2      SER   3   7.327   2.054   3.429
   20    HB3  SER   3           HB3      SER   3   5.653   1.596   3.796
   21    HG   SER   3           HG       SER   3   6.964  -0.214   3.278
   22    H    VAL   4           H        VAL   4   6.158   4.643   0.482
   23    HA   VAL   4           HA       VAL   4   6.882   6.501   2.520
   24    HB   VAL   4           HB       VAL   4   7.704   6.397   0.160
   25   HG11  VAL   4          HG11      VAL   4   5.600   5.983  -0.990
   26   HG12  VAL   4          HG12      VAL   4   5.036   7.610  -0.587
   27   HG13  VAL   4          HG13      VAL   4   6.441   7.389  -1.661
   28   HG21  VAL   4          HG21      VAL   4   8.087   8.417   1.516
   29   HG22  VAL   4          HG22      VAL   4   7.935   8.773  -0.212
   30   HG23  VAL   4          HG23      VAL   4   6.585   9.126   0.886
   31    H    GLU   5           H        GLU   5   3.726   5.496   1.455
   32    HA   GLU   5           HA       GLU   5   2.331   7.978   1.761
   33    HB2  GLU   5           HB2      GLU   5   0.348   6.711   1.608
   34    HB3  GLU   5           HB3      GLU   5   1.491   6.003   0.489
   35    HG2  GLU   5           HG2      GLU   5   0.668   4.910   3.220
   36    HG3  GLU   5           HG3      GLU   5   0.154   4.303   1.653
   37    H    ARG   6           H        ARG   6   0.688   8.456   3.471
   38    HA   ARG   6           HA       ARG   6   1.706   8.170   6.166
   39    HB2  ARG   6           HB2      ARG   6  -1.087   8.936   5.176
   40    HB3  ARG   6           HB3      ARG   6  -0.542   8.998   6.849
   41    HG2  ARG   6           HG2      ARG   6   1.244  10.664   6.140
   42    HG3  ARG   6           HG3      ARG   6   0.506  10.668   4.530
   43    HD2  ARG   6           HD2      ARG   6  -0.429  12.536   5.691
   44    HD3  ARG   6           HD3      ARG   6  -1.699  11.294   5.632
   45    HE   ARG   6           HE       ARG   6  -0.085  11.150   8.039
   46   HH11  ARG   6          HH11      ARG   6  -2.810  12.916   6.600
   47   HH12  ARG   6          HH12      ARG   6  -3.516  13.341   8.113
   48   HH21  ARG   6          HH21      ARG   6  -1.034  11.703  10.055
   49   HH22  ARG   6          HH22      ARG   6  -2.478  12.638  10.119
   50    H    ASP   7           H        ASP   7  -1.078   6.714   4.412
   51    HA   ASP   7           HA       ASP   7  -0.859   4.148   5.658
   52    HB2  ASP   7           HB2      ASP   7  -2.019   5.738   7.425
   53    HB3  ASP   7           HB3      ASP   7  -3.392   5.699   6.331
   54    H    GLU   8           H        GLU   8  -3.420   3.222   5.008
   55    HA   GLU   8           HA       GLU   8  -3.470   3.317   2.117
   56    HB2  GLU   8           HB2      GLU   8  -5.362   2.106   4.176
   57    HB3  GLU   8           HB3      GLU   8  -5.512   1.895   2.426
   58    HG2  GLU   8           HG2      GLU   8  -3.239   0.883   2.351
   59    HG3  GLU   8           HG3      GLU   8  -3.132   1.006   4.108
   60    H    THR   9           H        THR   9  -4.329   5.745   4.185
   61    HA   THR   9           HA       THR   9  -6.896   6.663   3.342
   62    HB   THR   9           HB       THR   9  -5.637   8.869   3.966
   63    HG1  THR   9           HG1      THR   9  -3.694   8.581   5.025
   64   HG21  THR   9          HG21      THR   9  -5.671   8.387   6.381
   65   HG22  THR   9          HG22      THR   9  -7.105   7.712   5.585
   66   HG23  THR   9          HG23      THR   9  -5.762   6.642   6.050
   67    H    ARG  10           H        ARG  10  -3.534   7.205   2.203
   68    HA   ARG  10           HA       ARG  10  -4.288   8.850  -0.023
   69    HB2  ARG  10           HB2      ARG  10  -1.767   7.248   0.602
   70    HB3  ARG  10           HB3      ARG  10  -1.914   8.314  -0.785
   71    HG2  ARG  10           HG2      ARG  10  -2.256   9.230   2.109
   72    HG3  ARG  10           HG3      ARG  10  -0.742   9.330   1.207
   73    HD2  ARG  10           HD2      ARG  10  -1.690  10.862  -0.395
   74    HD3  ARG  10           HD3      ARG  10  -3.306  10.703   0.294
   75    HE   ARG  10           HE       ARG  10  -1.944  11.560   2.441
   76   HH11  ARG  10          HH11      ARG  10  -1.874  12.869  -0.901
   77   HH12  ARG  10          HH12      ARG  10  -1.854  14.516  -0.343
   78   HH21  ARG  10          HH21      ARG  10  -1.819  13.783   3.083
   79   HH22  ARG  10          HH22      ARG  10  -1.785  15.038   1.882
   80    H    GLU  11           H        GLU  11  -3.568   5.337   0.220
   81    HA   GLU  11           HA       GLU  11  -3.876   4.710  -2.498
   82    HB2  GLU  11           HB2      GLU  11  -4.714   3.049  -0.073
   83    HB3  GLU  11           HB3      GLU  11  -4.538   2.437  -1.711
   84    HG2  GLU  11           HG2      GLU  11  -2.308   3.583   0.020
   85    HG3  GLU  11           HG3      GLU  11  -2.596   1.880  -0.315
   86    H    HIS  12           H        HIS  12  -6.400   4.978   0.064
   87    HA   HIS  12           HA       HIS  12  -8.587   4.254  -1.573
   88    HB2  HIS  12           HB2      HIS  12  -8.433   4.493   0.978
   89    HB3  HIS  12           HB3      HIS  12  -8.690   6.217   0.753
   90    HD1  HIS  12           HD1      HIS  12 -11.191   6.208  -1.258
   91    HD2  HIS  12           HD2      HIS  12 -10.573   3.562   1.969
   92    HE1  HIS  12           HE1      HIS  12 -13.472   5.355  -0.591
   93    H    ARG  13           H        ARG  13  -7.196   7.545  -0.855
   94    HA   ARG  13           HA       ARG  13  -9.112   8.956  -2.458
   95    HB2  ARG  13           HB2      ARG  13  -6.242   9.618  -1.660
   96    HB3  ARG  13           HB3      ARG  13  -7.271  10.739  -2.538
   97    HG2  ARG  13           HG2      ARG  13  -7.961   9.581   0.199
   98    HG3  ARG  13           HG3      ARG  13  -7.153  11.121  -0.052
   99    HD2  ARG  13           HD2      ARG  13  -9.947  10.417  -1.063
  100    HD3  ARG  13           HD3      ARG  13  -9.597  11.356   0.379
  101    HE   ARG  13           HE       ARG  13  -9.524  12.263  -2.394
  102   HH11  ARG  13          HH11      ARG  13  -8.313  13.032   0.877
  103   HH12  ARG  13          HH12      ARG  13  -8.013  14.685   0.489
  104   HH21  ARG  13          HH21      ARG  13  -9.156  14.299  -2.875
  105   HH22  ARG  13          HH22      ARG  13  -8.478  15.461  -1.749
  106    H    ILE  14           H        ILE  14  -5.881   7.615  -3.330
  107    HA   ILE  14           HA       ILE  14  -5.862   8.507  -5.994
  108    HB   ILE  14           HB       ILE  14  -4.651   6.104  -4.597
  109   HG12  ILE  14          HG12      ILE  14  -3.296   8.560  -5.787
  110   HG13  ILE  14          HG13      ILE  14  -3.906   8.545  -4.139
  111   HG21  ILE  14          HG21      ILE  14  -4.127   6.947  -7.481
  112   HG22  ILE  14          HG22      ILE  14  -3.205   5.732  -6.570
  113   HG23  ILE  14          HG23      ILE  14  -4.890   5.429  -6.945
  114   HD11  ILE  14          HD11      ILE  14  -2.415   6.617  -3.608
  115   HD12  ILE  14          HD12      ILE  14  -1.720   6.747  -5.246
  116   HD13  ILE  14          HD13      ILE  14  -1.551   8.083  -4.103
  117    H    GLU  15           H        GLU  15  -7.035   5.369  -4.703
  118    HA   GLU  15           HA       GLU  15  -7.914   4.396  -7.188
  119    HB2  GLU  15           HB2      GLU  15  -7.363   2.981  -5.294
  120    HB3  GLU  15           HB3      GLU  15  -8.647   3.693  -4.306
  121    HG2  GLU  15           HG2      GLU  15 -10.367   2.719  -5.688
  122    HG3  GLU  15           HG3      GLU  15  -9.175   2.141  -6.864
  123    H    THR  16           H        THR  16  -9.740   6.245  -4.731
  124    HA   THR  16           HA       THR  16 -12.216   5.805  -6.303
  125    HB   THR  16           HB       THR  16 -13.418   6.409  -4.281
  126    HG1  THR  16           HG1      THR  16 -10.816   6.685  -3.176
  127   HG21  THR  16          HG21      THR  16 -12.715   4.048  -4.696
  128   HG22  THR  16          HG22      THR  16 -11.282   4.317  -3.680
  129   HG23  THR  16          HG23      THR  16 -12.912   4.440  -2.984
  130    H    GLU  17           H        GLU  17  -9.949   8.221  -6.280
  131    HA   GLU  17           HA       GLU  17 -11.992  10.140  -7.271
  132    HB2  GLU  17           HB2      GLU  17 -11.482  10.668  -4.905
  133    HB3  GLU  17           HB3      GLU  17  -9.772  10.851  -5.316
  134    HG2  GLU  17           HG2      GLU  17 -10.259  12.746  -6.764
  135    HG3  GLU  17           HG3      GLU  17 -11.999  12.502  -6.551
  136    H    ILE  18           H        ILE  18  -8.439   9.368  -7.103
  137    HA   ILE  18           HA       ILE  18  -7.962  11.328  -9.193
  138    HB   ILE  18           HB       ILE  18  -6.013   9.325  -8.008
  139   HG12  ILE  18          HG12      ILE  18  -6.815  12.143  -7.133
  140   HG13  ILE  18          HG13      ILE  18  -6.988  10.665  -6.202
  141   HG21  ILE  18          HG21      ILE  18  -4.293  10.859  -8.795
  142   HG22  ILE  18          HG22      ILE  18  -5.281  10.368 -10.157
  143   HG23  ILE  18          HG23      ILE  18  -5.521  11.971  -9.434
  144   HD11  ILE  18          HD11      ILE  18  -5.165  11.866  -5.276
  145   HD12  ILE  18          HD12      ILE  18  -4.482  10.468  -6.126
  146   HD13  ILE  18          HD13      ILE  18  -4.393  12.089  -6.852
  147    H    ILE  19           H        ILE  19  -7.806   7.702  -9.070
  148    HA   ILE  19           HA       ILE  19  -7.858   7.698 -12.060
  149    HB   ILE  19           HB       ILE  19  -6.632   5.603 -11.914
  150   HG12  ILE  19          HG12      ILE  19  -6.039   6.354  -9.026
  151   HG13  ILE  19          HG13      ILE  19  -7.305   5.184  -9.457
  152   HG21  ILE  19          HG21      ILE  19  -4.471   6.663 -11.636
  153   HG22  ILE  19          HG22      ILE  19  -5.576   7.808 -12.396
  154   HG23  ILE  19          HG23      ILE  19  -5.176   7.974 -10.674
  155   HD11  ILE  19          HD11      ILE  19  -5.598   3.891 -10.713
  156   HD12  ILE  19          HD12      ILE  19  -4.352   4.993 -10.063
  157   HD13  ILE  19          HD13      ILE  19  -5.322   3.985  -8.950
  158    H    VAL  20           H        VAL  20 -10.068   7.418  -9.781
  159    HA   VAL  20           HA       VAL  20 -11.237   4.927  -9.976
  160    HB   VAL  20           HB       VAL  20 -11.809   6.790  -8.480
  161   HG11  VAL  20          HG11      VAL  20 -13.502   7.948 -10.713
  162   HG12  VAL  20          HG12      VAL  20 -13.410   8.510  -9.036
  163   HG13  VAL  20          HG13      VAL  20 -11.997   8.657 -10.086
  164   HG21  VAL  20          HG21      VAL  20 -14.246   5.620  -9.859
  165   HG22  VAL  20          HG22      VAL  20 -13.261   4.813  -8.618
  166   HG23  VAL  20          HG23      VAL  20 -14.171   6.279  -8.212
  167    H    ASP  21           H        ASP  21 -11.402   7.537 -12.397
  168    HA   ASP  21           HA       ASP  21 -13.421   6.161 -14.007
  169    HB2  ASP  21           HB2      ASP  21 -13.317   8.627 -13.764
  170    HB3  ASP  21           HB3      ASP  21 -11.732   8.635 -14.538
  171    H    ALA  22           H        ALA  22 -10.064   5.757 -13.637
  172    HA   ALA  22           HA       ALA  22  -9.372   5.513 -16.470
  173    HB1  ALA  22           HB1      ALA  22  -7.804   6.476 -14.770
  174    HB2  ALA  22           HB2      ALA  22  -7.719   4.872 -13.994
  175    HB3  ALA  22           HB3      ALA  22  -7.136   5.093 -15.649
  176    H    GLU  23           H        GLU  23  -7.893   3.470 -16.917
  177    HA   GLU  23           HA       GLU  23  -8.983   0.962 -15.832
  178    HB2  GLU  23           HB2      GLU  23 -10.530   1.596 -17.676
  179    HB3  GLU  23           HB3      GLU  23  -9.166   1.663 -18.799
  180    HG2  GLU  23           HG2      GLU  23  -8.737  -0.748 -18.443
  181    HG3  GLU  23           HG3      GLU  23 -10.017  -0.814 -17.229
  182    H    ASP  24           H        ASP  24  -6.755   2.570 -18.200
  183    HA   ASP  24           HA       ASP  24  -4.633   0.602 -17.511
  184    HB2  ASP  24           HB2      ASP  24  -5.921   0.194 -19.751
  185    HB3  ASP  24           HB3      ASP  24  -5.051   1.627 -20.313
  186    H    LYS  25           H        LYS  25  -2.530   1.517 -18.409
  187    HA   LYS  25           HA       LYS  25  -1.828   3.629 -16.798
  188    HB2  LYS  25           HB2      LYS  25   0.332   3.607 -17.927
  189    HB3  LYS  25           HB3      LYS  25  -0.296   2.004 -17.578
  190    HG2  LYS  25           HG2      LYS  25  -1.108   1.990 -20.075
  191    HG3  LYS  25           HG3      LYS  25  -0.115   3.432 -20.263
  192    HD2  LYS  25           HD2      LYS  25   1.156   1.499 -20.984
  193    HD3  LYS  25           HD3      LYS  25   1.877   2.160 -19.521
  194    HE2  LYS  25           HE2      LYS  25   1.898  -0.227 -19.326
  195    HE3  LYS  25           HE3      LYS  25   0.719   0.393 -18.168
  196    HZ1  LYS  25           HZ1      LYS  25   0.009  -0.734 -20.819
  197    HZ2  LYS  25           HZ2      LYS  25  -0.049  -1.561 -19.419
  198    HZ3  LYS  25           HZ3      LYS  25  -1.057  -0.303 -19.637
  199    H    GLU  26           H        GLU  26  -2.776   3.984 -20.234
  200    HA   GLU  26           HA       GLU  26  -1.922   6.746 -20.406
  201    HB2  GLU  26           HB2      GLU  26  -3.954   5.149 -22.033
  202    HB3  GLU  26           HB3      GLU  26  -3.377   6.771 -22.441
  203    HG2  GLU  26           HG2      GLU  26  -1.061   5.913 -22.637
  204    HG3  GLU  26           HG3      GLU  26  -1.611   4.291 -22.220
  205    H    GLU  27           H        GLU  27  -4.967   5.080 -19.604
  206    HA   GLU  27           HA       GLU  27  -6.541   7.501 -19.300
  207    HB2  GLU  27           HB2      GLU  27  -7.061   4.734 -18.142
  208    HB3  GLU  27           HB3      GLU  27  -8.226   6.034 -18.359
  209    HG2  GLU  27           HG2      GLU  27  -6.838   4.427 -20.542
  210    HG3  GLU  27           HG3      GLU  27  -8.525   4.321 -20.061
  211    H    ARG  28           H        ARG  28  -4.527   5.461 -17.158
  212    HA   ARG  28           HA       ARG  28  -5.383   6.755 -14.713
  213    HB2  ARG  28           HB2      ARG  28  -2.833   5.227 -15.367
  214    HB3  ARG  28           HB3      ARG  28  -3.328   5.727 -13.745
  215    HG2  ARG  28           HG2      ARG  28  -5.259   4.278 -13.768
  216    HG3  ARG  28           HG3      ARG  28  -5.059   3.930 -15.482
  217    HD2  ARG  28           HD2      ARG  28  -2.716   2.995 -14.795
  218    HD3  ARG  28           HD3      ARG  28  -3.411   2.942 -13.163
  219    HE   ARG  28           HE       ARG  28  -5.287   1.721 -14.837
  220   HH11  ARG  28          HH11      ARG  28  -1.940   1.113 -13.861
  221   HH12  ARG  28          HH12      ARG  28  -2.007  -0.590 -14.157
  222   HH21  ARG  28          HH21      ARG  28  -5.355  -0.511 -15.370
  223   HH22  ARG  28          HH22      ARG  28  -4.019  -1.541 -14.981
  224    H    ALA  29           H        ALA  29  -2.627   7.340 -16.974
  225    HA   ALA  29           HA       ALA  29  -1.546   9.559 -15.599
  226    HB1  ALA  29           HB1      ALA  29  -0.444   8.443 -17.508
  227    HB2  ALA  29           HB2      ALA  29  -1.709   9.041 -18.602
  228    HB3  ALA  29           HB3      ALA  29  -0.619  10.187 -17.796
  229    H    MET  30           H        MET  30  -4.263   9.387 -18.003
  230    HA   MET  30           HA       MET  30  -4.790  12.198 -17.918
  231    HB2  MET  30           HB2      MET  30  -6.575   9.869 -18.649
  232    HB3  MET  30           HB3      MET  30  -7.054  11.559 -18.780
  233    HG2  MET  30           HG2      MET  30  -4.679  10.316 -20.222
  234    HG3  MET  30           HG3      MET  30  -6.265  10.614 -20.907
  235    HE1  MET  30           HE1      MET  30  -2.875  11.813 -19.974
  236    HE2  MET  30           HE2      MET  30  -2.763  13.458 -20.630
  237    HE3  MET  30           HE3      MET  30  -3.397  13.207 -19.010
  238    H    GLY  31           H        GLY  31  -5.997   9.550 -15.824
  239    HA2  GLY  31           HA2      GLY  31  -7.859  11.048 -14.324
  240    HA3  GLY  31           HA3      GLY  31  -6.902   9.676 -13.729
  241    H    TRP  32           H        TRP  32  -4.331  10.524 -13.698
  242    HA   TRP  32           HA       TRP  32  -4.104  12.278 -11.481
  243    HB2  TRP  32           HB2      TRP  32  -2.138  11.255 -13.558
  244    HB3  TRP  32           HB3      TRP  32  -1.660  12.416 -12.332
  245    HD1  TRP  32           HD1      TRP  32  -2.266   8.728 -12.751
  246    HE1  TRP  32           HE1      TRP  32  -1.789   7.500 -10.574
  247    HE3  TRP  32           HE3      TRP  32  -1.761  12.778  -9.678
  248    HZ2  TRP  32           HZ2      TRP  32  -1.422   8.188  -7.772
  249    HZ3  TRP  32           HZ3      TRP  32  -1.304  12.463  -7.265
  250    HH2  TRP  32           HH2      TRP  32  -1.145  10.178  -6.301
  251    H    TYR  33           H        TYR  33  -3.673  12.929 -15.005
  252    HA   TYR  33           HA       TYR  33  -2.852  15.611 -14.744
  253    HB2  TYR  33           HB2      TYR  33  -2.501  14.474 -16.796
  254    HB3  TYR  33           HB3      TYR  33  -4.177  13.975 -16.897
  255    HD1  TYR  33           HD2      TYR  33  -2.418  17.301 -16.608
  256    HD2  TYR  33           HD1      TYR  33  -5.333  14.891 -18.655
  257    HE1  TYR  33           HE2      TYR  33  -2.968  19.222 -18.049
  258    HE2  TYR  33           HE1      TYR  33  -5.955  16.827 -20.056
  259    HH   TYR  33           HH       TYR  33  -4.292  20.009 -19.804
  260    H    TYR  34           H        TYR  34  -6.214  14.264 -15.150
  261    HA   TYR  34           HA       TYR  34  -7.426  16.852 -15.320
  262    HB2  TYR  34           HB2      TYR  34  -8.588  14.184 -14.436
  263    HB3  TYR  34           HB3      TYR  34  -9.514  15.612 -14.862
  264    HD1  TYR  34           HD1      TYR  34  -7.252  15.940 -17.406
  265    HD2  TYR  34           HD2      TYR  34 -10.160  13.064 -15.994
  266    HE1  TYR  34           HE1      TYR  34  -7.571  15.110 -19.710
  267    HE2  TYR  34           HE2      TYR  34 -10.448  12.215 -18.296
  268    HH   TYR  34           HH       TYR  34  -9.817  12.436 -20.532
  269    H    TYR  35           H        TYR  35  -6.837  14.584 -12.569
  270    HA   TYR  35           HA       TYR  35  -8.284  16.082 -10.637
  271    HB2  TYR  35           HB2      TYR  35  -7.622  13.749 -10.325
  272    HB3  TYR  35           HB3      TYR  35  -5.918  14.187 -10.388
  273    HD1  TYR  35           HD1      TYR  35  -9.056  14.991  -8.441
  274    HD2  TYR  35           HD2      TYR  35  -4.773  14.480  -8.362
  275    HE1  TYR  35           HE1      TYR  35  -9.056  15.363  -5.992
  276    HE2  TYR  35           HE2      TYR  35  -4.757  14.873  -5.926
  277    HH   TYR  35           HH       TYR  35  -6.038  15.338  -4.036
  278    H    LEU  36           H        LEU  36  -4.795  16.192 -11.581
  279    HA   LEU  36           HA       LEU  36  -4.102  18.199  -9.645
  280    HB2  LEU  36           HB2      LEU  36  -2.808  16.908 -12.030
  281    HB3  LEU  36           HB3      LEU  36  -2.212  18.483 -11.567
  282    HG   LEU  36           HG       LEU  36  -1.567  17.788  -9.383
  283   HD11  LEU  36          HD11      LEU  36  -1.789  15.444  -8.571
  284   HD12  LEU  36          HD12      LEU  36  -3.334  16.285  -8.687
  285   HD13  LEU  36          HD13      LEU  36  -2.879  15.098  -9.934
  286   HD21  LEU  36          HD21      LEU  36   0.140  16.139  -9.945
  287   HD22  LEU  36          HD22      LEU  36  -0.817  15.558 -11.327
  288   HD23  LEU  36          HD23      LEU  36  -0.113  17.183 -11.358
  289    H    ASP  37           H        ASP  37  -5.040  18.383 -13.148
  290    HA   ASP  37           HA       ASP  37  -4.724  21.183 -13.356
  291    HB2  ASP  37           HB2      ASP  37  -5.028  19.747 -15.317
  292    HB3  ASP  37           HB3      ASP  37  -6.651  19.306 -14.778
  293    H    ASP  38           H        ASP  38  -7.414  19.265 -12.017
  294    HA   ASP  38           HA       ASP  38  -9.206  21.544 -11.780
  295    HB2  ASP  38           HB2      ASP  38 -10.036  19.241 -12.005
  296    HB3  ASP  38           HB3      ASP  38  -9.243  18.786 -10.495
  297    H    THR  39           H        THR  39  -6.574  20.231  -9.853
  298    HA   THR  39           HA       THR  39  -7.650  21.430  -7.352
  299    HB   THR  39           HB       THR  39  -5.273  19.614  -7.930
  300    HG1  THR  39           HG1      THR  39  -7.073  18.494  -8.238
  301   HG21  THR  39          HG21      THR  39  -5.423  19.211  -5.402
  302   HG22  THR  39          HG22      THR  39  -4.747  20.769  -5.912
  303   HG23  THR  39          HG23      THR  39  -6.411  20.687  -5.330
  304    H    LEU  40           H        LEU  40  -4.760  21.681  -9.463
  305    HA   LEU  40           HA       LEU  40  -3.265  23.294  -7.648
  306    HB2  LEU  40           HB2      LEU  40  -3.036  22.791 -10.632
  307    HB3  LEU  40           HB3      LEU  40  -1.801  23.619  -9.698
  308    HG   LEU  40           HG       LEU  40  -2.695  20.766  -9.073
  309   HD11  LEU  40          HD11      LEU  40  -0.732  19.973 -10.317
  310   HD12  LEU  40          HD12      LEU  40  -1.797  20.885 -11.397
  311   HD13  LEU  40          HD13      LEU  40  -0.309  21.635 -10.764
  312   HD21  LEU  40          HD21      LEU  40  -1.504  21.763  -7.241
  313   HD22  LEU  40          HD22      LEU  40  -0.510  20.536  -8.012
  314   HD23  LEU  40          HD23      LEU  40  -0.166  22.251  -8.317
  315    H    GLU  41           H        GLU  41  -3.412  25.426  -7.238
  316    HA   GLU  41           HA       GLU  41  -5.419  27.022  -8.597
  317    HB2  GLU  41           HB2      GLU  41  -3.599  27.543  -6.212
  318    HB3  GLU  41           HB3      GLU  41  -4.794  28.696  -6.795
  319    HG2  GLU  41           HG2      GLU  41  -5.536  25.883  -5.894
  320    HG3  GLU  41           HG3      GLU  41  -5.505  27.282  -4.834
  321    H    PHE  42           H        PHE  42  -3.948  26.713 -10.640
  322    HA   PHE  42           HA       PHE  42  -1.667  28.380 -10.978
  323    HB2  PHE  42           HB2      PHE  42  -3.711  27.568 -13.079
  324    HB3  PHE  42           HB3      PHE  42  -2.056  28.090 -13.365
  325    HD1  PHE  42           HD1      PHE  42  -0.249  26.659 -11.917
  326    HD2  PHE  42           HD2      PHE  42  -4.079  25.259 -13.298
  327    HE1  PHE  42           HE1      PHE  42   0.668  24.357 -12.101
  328    HE2  PHE  42           HE2      PHE  42  -3.199  22.957 -13.395
  329    HZ   PHE  42           HZ       PHE  42  -0.796  22.510 -12.858
  330    HA   PRO  43           HA       PRO  43  -0.724  29.689 -12.703
  331    HB2  PRO  43           HB2      PRO  43   0.316  32.192 -12.879
  332    HB3  PRO  43           HB3      PRO  43  -0.749  31.513 -14.147
  333    HG2  PRO  43           HG2      PRO  43  -1.506  33.387 -11.888
  334    HG3  PRO  43           HG3      PRO  43  -1.933  33.511 -13.624
  335    HD2  PRO  43           HD2      PRO  43  -3.626  32.426 -11.752
  336    HD3  PRO  43           HD3      PRO  43  -3.569  31.832 -13.437
  337    H    PHE  44           H        PHE  44   1.265  29.670 -11.393
  338    HA   PHE  44           HA       PHE  44   1.155  31.201  -8.871
  339    HB2  PHE  44           HB2      PHE  44   1.548  29.362  -7.401
  340    HB3  PHE  44           HB3      PHE  44   0.014  29.161  -8.212
  341    HD1  PHE  44           HD1      PHE  44   3.590  28.035  -8.345
  342    HD2  PHE  44           HD2      PHE  44  -0.514  27.021  -9.128
  343    HE1  PHE  44           HE1      PHE  44   4.280  25.727  -8.780
  344    HE2  PHE  44           HE2      PHE  44   0.173  24.678  -9.565
  345    HZ   PHE  44           HZ       PHE  44   2.562  24.014  -9.410
  346    H    MET  45           H        MET  45   3.275  31.102  -7.667
  347    HA   MET  45           HA       MET  45   5.458  31.154  -9.680
  348    HB2  MET  45           HB2      MET  45   5.107  33.107  -8.158
  349    HB3  MET  45           HB3      MET  45   5.305  32.046  -6.753
  350    HG2  MET  45           HG2      MET  45   7.627  31.527  -7.520
  351    HG3  MET  45           HG3      MET  45   7.412  32.662  -8.855
  352    HE1  MET  45           HE1      MET  45   9.662  33.873  -8.099
  353    HE2  MET  45           HE2      MET  45  10.015  34.274  -6.403
  354    HE3  MET  45           HE3      MET  45   9.771  32.577  -6.892
  355    H    GLY  46           H        GLY  46   7.340  29.770  -9.459
  356    HA2  GLY  46           HA2      GLY  46   7.536  28.079  -7.094
  357    HA3  GLY  46           HA3      GLY  46   7.177  27.203  -8.590
  358    H    LYS  47           H        LYS  47   9.416  26.607  -7.332
  359    HA   LYS  47           HA       LYS  47  11.591  27.890  -8.914
  360    HB2  LYS  47           HB2      LYS  47  11.869  27.502  -6.337
  361    HB3  LYS  47           HB3      LYS  47  11.907  25.787  -6.721
  362    HG2  LYS  47           HG2      LYS  47  14.184  26.427  -6.663
  363    HG3  LYS  47           HG3      LYS  47  13.799  26.342  -8.379
  364    HD2  LYS  47           HD2      LYS  47  15.066  28.311  -8.118
  365    HD3  LYS  47           HD3      LYS  47  13.415  28.887  -8.300
  366    HE2  LYS  47           HE2      LYS  47  13.209  29.457  -6.015
  367    HE3  LYS  47           HE3      LYS  47  14.558  28.409  -5.539
  368    HZ1  LYS  47           HZ1      LYS  47  15.168  30.768  -5.566
  369    HZ2  LYS  47           HZ2      LYS  47  16.084  29.851  -6.574
  370    HZ3  LYS  47           HZ3      LYS  47  14.897  30.837  -7.189
  371    H    TRP  48           H        TRP  48  12.200  26.809 -10.725
  372    HA   TRP  48           HA       TRP  48  11.215  24.047 -11.209
  373    HB2  TRP  48           HB2      TRP  48  11.036  25.718 -13.048
  374    HB3  TRP  48           HB3      TRP  48  12.767  25.978 -12.984
  375    HD1  TRP  48           HD1      TRP  48  12.270  22.359 -12.623
  376    HE1  TRP  48           HE1      TRP  48  12.568  21.116 -14.801
  377    HE3  TRP  48           HE3      TRP  48  11.967  26.338 -15.823
  378    HZ2  TRP  48           HZ2      TRP  48  12.626  21.752 -17.649
  379    HZ3  TRP  48           HZ3      TRP  48  12.068  25.975 -18.274
  380    HH2  TRP  48           HH2      TRP  48  12.401  23.690 -19.195
  381    H    LYS  49           H        LYS  49  12.468  22.679 -10.019
  382    HA   LYS  49           HA       LYS  49  15.365  23.184  -9.585
  383    HB2  LYS  49           HB2      LYS  49  13.249  21.466  -8.198
  384    HB3  LYS  49           HB3      LYS  49  14.979  21.313  -7.876
  385    HG2  LYS  49           HG2      LYS  49  15.123  23.642  -7.147
  386    HG3  LYS  49           HG3      LYS  49  13.446  23.935  -7.610
  387    HD2  LYS  49           HD2      LYS  49  13.673  23.729  -5.203
  388    HD3  LYS  49           HD3      LYS  49  12.613  22.483  -5.875
  389    HE2  LYS  49           HE2      LYS  49  14.300  20.784  -5.647
  390    HE3  LYS  49           HE3      LYS  49  15.548  21.976  -5.240
  391    HZ1  LYS  49           HZ1      LYS  49  13.145  21.538  -3.553
  392    HZ2  LYS  49           HZ2      LYS  49  14.576  20.760  -3.306
  393    HZ3  LYS  49           HZ3      LYS  49  14.491  22.381  -3.169
  394    H    LYS  50           H        LYS  50  15.469  22.782 -11.890
  395    HA   LYS  50           HA       LYS  50  14.605  20.478 -13.290
  396    HB2  LYS  50           HB2      LYS  50  15.449  22.479 -14.446
  397    HB3  LYS  50           HB3      LYS  50  17.042  22.257 -13.717
  398    HG2  LYS  50           HG2      LYS  50  17.215  21.502 -15.957
  399    HG3  LYS  50           HG3      LYS  50  17.257  20.065 -14.934
  400    HD2  LYS  50           HD2      LYS  50  14.812  19.705 -15.431
  401    HD3  LYS  50           HD3      LYS  50  14.885  21.049 -16.577
  402    HE2  LYS  50           HE2      LYS  50  16.588  18.508 -16.674
  403    HE3  LYS  50           HE3      LYS  50  15.114  18.765 -17.611
  404    HZ1  LYS  50           HZ1      LYS  50  16.218  20.617 -18.734
  405    HZ2  LYS  50           HZ2      LYS  50  17.599  20.356 -17.891
  406    HZ3  LYS  50           HZ3      LYS  50  17.052  19.236 -18.935
  407    H    LYS  51           H        LYS  51  15.095  18.368 -13.022
  408    HA   LYS  51           HA       LYS  51  17.335  17.608 -11.350
  409    HB2  LYS  51           HB2      LYS  51  14.852  16.825 -11.393
  410    HB3  LYS  51           HB3      LYS  51  15.302  15.845 -12.790
  411    HG2  LYS  51           HG2      LYS  51  16.941  14.623 -11.378
  412    HG3  LYS  51           HG3      LYS  51  16.562  15.673 -10.011
  413    HD2  LYS  51           HD2      LYS  51  14.666  13.704 -11.373
  414    HD3  LYS  51           HD3      LYS  51  15.477  13.496  -9.829
  415    HE2  LYS  51           HE2      LYS  51  13.607  14.259  -8.885
  416    HE3  LYS  51           HE3      LYS  51  14.185  15.861  -9.334
  417    HZ1  LYS  51           HZ1      LYS  51  12.784  15.705 -11.358
  418    HZ2  LYS  51           HZ2      LYS  51  12.309  14.195 -10.926
  419    HZ3  LYS  51           HZ3      LYS  51  11.887  15.502 -10.036
  420    H    SER  52           H        SER  52  18.557  15.594 -12.051
  421    HA   SER  52           HA       SER  52  20.144  14.649 -13.321
  422    HB2  SER  52           HB2      SER  52  18.273  15.131 -15.662
  423    HB3  SER  52           HB3      SER  52  19.565  13.922 -15.550
  424    HG   SER  52           HG       SER  52  17.504  13.043 -15.058
  425    H    ARG  53           H        ARG  53  20.515  17.358 -12.685
  426    HA   ARG  53           HA       ARG  53  21.593  18.957 -14.754
  427    HB2  ARG  53           HB2      ARG  53  21.259  19.749 -12.490
  428    HB3  ARG  53           HB3      ARG  53  22.390  18.564 -11.845
  429    HG2  ARG  53           HG2      ARG  53  24.272  19.725 -13.028
  430    HG3  ARG  53           HG3      ARG  53  23.100  20.936 -13.615
  431    HD2  ARG  53           HD2      ARG  53  22.445  21.330 -11.227
  432    HD3  ARG  53           HD3      ARG  53  23.748  20.254 -10.703
  433    HE   ARG  53           HE       ARG  53  25.002  22.141 -12.276
  434   HH11  ARG  53          HH12      ARG  53  22.855  22.290  -9.426
  435   HH12  ARG  53          HH11      ARG  53  23.559  23.746  -8.811
  436   HH21  ARG  53          HH22      ARG  53  25.908  24.101 -11.452
  437   HH22  ARG  53          HH21      ARG  53  25.312  24.804  -9.999
  438    H    LYS  54           H        LYS  54  23.156  16.304 -12.891
  439    HA   LYS  54           HA       LYS  54  24.839  15.719 -15.240
  440    HB2  LYS  54           HB2      LYS  54  26.135  17.346 -13.798
  441    HB3  LYS  54           HB3      LYS  54  26.089  16.159 -12.488
  442    HG2  LYS  54           HG2      LYS  54  27.298  14.531 -13.960
  443    HG3  LYS  54           HG3      LYS  54  27.329  15.747 -15.250
  444    HD2  LYS  54           HD2      LYS  54  28.655  17.257 -13.794
  445    HD3  LYS  54           HD3      LYS  54  28.606  16.046 -12.492
  446    HE2  LYS  54           HE2      LYS  54  29.772  14.420 -13.966
  447    HE3  LYS  54           HE3      LYS  54  29.821  15.622 -15.262
  448    HZ1  LYS  54           HZ1      LYS  54  31.168  15.894 -12.636
  449    HZ2  LYS  54           HZ2      LYS  54  31.901  15.545 -14.047
  450    HZ3  LYS  54           HZ3      LYS  54  31.214  17.006 -13.835
  451    H    THR  55           H        THR  55  24.116  14.836 -11.810
  452    HA   THR  55           HA       THR  55  24.026  11.961 -12.589
  453    HB   THR  55           HB       THR  55  25.442  13.044 -10.123
  454    HG1  THR  55           HG1      THR  55  27.338  12.945 -11.225
  455   HG21  THR  55          HG21      THR  55  25.686  10.406 -11.656
  456   HG22  THR  55          HG22      THR  55  26.590  10.851 -10.189
  457   HG23  THR  55          HG23      THR  55  24.839  10.625 -10.111
  458    H    SER  56           H        SER  56  21.684  12.847 -12.558
  459    HA   SER  56           HA       SER  56  19.660  13.213 -11.645
  460    HB2  SER  56           HB2      SER  56  20.610  11.571  -9.280
  461    HB3  SER  56           HB3      SER  56  18.945  11.837  -9.815
  462    HG   SER  56           HG       SER  56  19.797   9.823 -10.526
  463    H    THR  57           H        THR  57  22.097  14.972 -10.782
  464    HA   THR  57           HA       THR  57  21.398  16.188  -8.290
  465    HB   THR  57           HB       THR  57  23.157  17.871  -9.346
  466    HG1  THR  57           HG1      THR  57  24.344  17.006 -10.967
  467   HG21  THR  57          HG21      THR  57  24.995  16.360  -8.712
  468   HG22  THR  57          HG22      THR  57  23.672  16.261  -7.538
  469   HG23  THR  57          HG23      THR  57  23.888  14.971  -8.742
  470    H    ILE  58           H        ILE  58  21.271  18.778  -8.427
  471    HA   ILE  58           HA       ILE  58  18.790  19.360 -10.010
  472    HB   ILE  58           HB       ILE  58  19.534  20.025  -7.143
  473   HG12  ILE  58          HG12      ILE  58  18.748  17.680  -7.406
  474   HG13  ILE  58          HG13      ILE  58  17.726  18.671  -6.385
  475   HG21  ILE  58          HG21      ILE  58  17.219  21.004  -6.998
  476   HG22  ILE  58          HG22      ILE  58  18.344  21.923  -7.993
  477   HG23  ILE  58          HG23      ILE  58  17.130  20.898  -8.777
  478   HD11  ILE  58          HD11      ILE  58  16.438  17.160  -7.865
  479   HD12  ILE  58          HD12      ILE  58  16.036  18.859  -8.149
  480   HD13  ILE  58          HD13      ILE  58  17.096  17.994  -9.282
  481    H    GLU  59           H        GLU  59  18.725  21.276 -10.981
  482    HA   GLU  59           HA       GLU  59  20.684  23.410 -10.342
  483    HB2  GLU  59           HB2      GLU  59  21.025  22.146 -12.648
  484    HB3  GLU  59           HB3      GLU  59  19.509  22.904 -13.116
  485    HG2  GLU  59           HG2      GLU  59  20.528  25.143 -12.596
  486    HG3  GLU  59           HG3      GLU  59  22.028  24.322 -12.151
  487    H    GLU  60           H        GLU  60  19.459  25.571 -10.508
  488    HA   GLU  60           HA       GLU  60  16.535  25.121 -10.495
  489    HB2  GLU  60           HB2      GLU  60  16.216  26.431  -8.580
  490    HB3  GLU  60           HB3      GLU  60  17.294  25.079  -8.224
  491    HG2  GLU  60           HG2      GLU  60  19.218  26.487  -8.256
  492    HG3  GLU  60           HG3      GLU  60  18.293  27.850  -8.896
  493    H    LYS  61           H        LYS  61  15.153  26.705 -11.127
  494    HA   LYS  61           HA       LYS  61  16.251  29.351 -11.940
  495    HB2  LYS  61           HB2      LYS  61  14.505  27.510 -13.655
  496    HB3  LYS  61           HB3      LYS  61  14.723  29.236 -13.964
  497    HG2  LYS  61           HG2      LYS  61  17.138  28.922 -14.282
  498    HG3  LYS  61           HG3      LYS  61  16.991  27.191 -13.958
  499    HD2  LYS  61           HD2      LYS  61  15.624  28.623 -16.272
  500    HD3  LYS  61           HD3      LYS  61  17.168  27.762 -16.372
  501    HE2  LYS  61           HE2      LYS  61  16.019  25.673 -15.566
  502    HE3  LYS  61           HE3      LYS  61  14.477  26.532 -15.625
  503    HZ1  LYS  61           HZ1      LYS  61  14.857  26.855 -18.024
  504    HZ2  LYS  61           HZ2      LYS  61  16.244  25.991 -17.943
  505    HZ3  LYS  61           HZ3      LYS  61  14.811  25.270 -17.631
  506    H    THR  62           H        THR  62  14.539  30.965 -11.684
  507    HA   THR  62           HA       THR  62  12.350  30.012  -9.888
  508    HB   THR  62           HB       THR  62  13.436  32.833 -10.225
  509    HG1  THR  62           HG1      THR  62  15.104  31.680  -9.408
  510   HG21  THR  62          HG21      THR  62  11.835  31.475  -8.004
  511   HG22  THR  62          HG22      THR  62  12.395  33.165  -8.020
  512   HG23  THR  62          HG23      THR  62  11.188  32.620  -9.200
  513    H    VAL  63           H        VAL  63  10.259  30.049 -10.702
  514    HA   VAL  63           HA       VAL  63   9.868  31.446 -13.286
  515    HB   VAL  63           HB       VAL  63   8.924  29.451 -14.251
  516   HG11  VAL  63          HG11      VAL  63  11.391  29.817 -14.502
  517   HG12  VAL  63          HG12      VAL  63  11.662  28.691 -13.159
  518   HG13  VAL  63          HG13      VAL  63  10.885  28.132 -14.651
  519   HG21  VAL  63          HG21      VAL  63   9.773  27.907 -11.760
  520   HG22  VAL  63          HG22      VAL  63   8.097  28.290 -12.203
  521   HG23  VAL  63          HG23      VAL  63   9.062  27.238 -13.240
  522    H    GLU  64           H        GLU  64   7.742  31.680 -13.932
  523    HA   GLU  64           HA       GLU  64   5.634  31.501 -11.811
  524    HB2  GLU  64           HB2      GLU  64   6.052  33.808 -12.646
  525    HB3  GLU  64           HB3      GLU  64   5.768  33.265 -14.302
  526    HG2  GLU  64           HG2      GLU  64   3.443  32.659 -13.733
  527    HG3  GLU  64           HG3      GLU  64   3.735  33.037 -12.035
  528    H    VAL  65           H        VAL  65   4.319  29.763 -12.152
  529    HA   VAL  65           HA       VAL  65   4.439  28.371 -14.741
  530    HB   VAL  65           HB       VAL  65   3.614  26.522 -13.777
  531   HG11  VAL  65          HG11      VAL  65   4.957  27.706 -11.316
  532   HG12  VAL  65          HG12      VAL  65   4.867  26.001 -11.787
  533   HG13  VAL  65          HG13      VAL  65   5.842  27.128 -12.744
  534   HG21  VAL  65          HG21      VAL  65   2.378  27.974 -11.467
  535   HG22  VAL  65          HG22      VAL  65   1.567  27.246 -12.879
  536   HG23  VAL  65          HG23      VAL  65   2.412  26.219 -11.722
  537    H    LEU  66           H        LEU  66   2.796  28.339 -16.205
  538    HA   LEU  66           HA       LEU  66   0.624  30.298 -15.722
  539    HB2  LEU  66           HB2      LEU  66   1.441  28.856 -18.277
  540    HB3  LEU  66           HB3      LEU  66   0.259  30.135 -18.127
  541    HG   LEU  66           HG       LEU  66   2.074  31.208 -19.022
  542   HD11  LEU  66          HD11      LEU  66   2.487  31.742 -16.049
  543   HD12  LEU  66          HD12      LEU  66   2.883  32.816 -17.402
  544   HD13  LEU  66          HD13      LEU  66   1.188  32.441 -17.047
  545   HD21  LEU  66          HD21      LEU  66   4.015  30.018 -17.015
  546   HD22  LEU  66          HD22      LEU  66   3.741  29.390 -18.658
  547   HD23  LEU  66          HD23      LEU  66   4.377  31.022 -18.422
  548    H    GLY  67           H        GLY  67   1.003  26.790 -15.925
  549    HA2  GLY  67           HA2      GLY  67  -1.432  25.942 -15.105
  550    HA3  GLY  67           HA3      GLY  67  -1.676  26.252 -16.834
  551    H    MET  68           H        MET  68  -1.935  23.706 -16.157
  552    HA   MET  68           HA       MET  68   0.507  22.161 -16.433
  553    HB2  MET  68           HB2      MET  68  -2.371  21.346 -16.944
  554    HB3  MET  68           HB3      MET  68  -0.963  20.274 -17.060
  555    HG2  MET  68           HG2      MET  68  -0.378  20.959 -14.670
  556    HG3  MET  68           HG3      MET  68  -1.966  21.726 -14.628
  557    HE1  MET  68           HE1      MET  68  -0.452  18.253 -15.804
  558    HE2  MET  68           HE2      MET  68   0.052  18.491 -14.111
  559    HE3  MET  68           HE3      MET  68  -1.123  17.218 -14.525
  560    H    ALA  69           H        ALA  69   1.170  21.008 -18.267
  561    HA   ALA  69           HA       ALA  69   1.091  22.404 -20.804
  562    HB1  ALA  69           HB1      ALA  69   2.985  20.976 -19.898
  563    HB2  ALA  69           HB2      ALA  69   1.944  19.554 -20.180
  564    HB3  ALA  69           HB3      ALA  69   2.491  20.551 -21.537
  565    HA   PRO  70           HA       PRO  70  -2.398  20.432 -22.849
  566    HB2  PRO  70           HB2      PRO  70  -0.421  19.138 -24.741
  567    HB3  PRO  70           HB3      PRO  70  -1.964  19.967 -25.123
  568    HG2  PRO  70           HG2      PRO  70   0.382  21.268 -25.465
  569    HG3  PRO  70           HG3      PRO  70  -0.995  22.118 -24.686
  570    HD2  PRO  70           HD2      PRO  70   1.387  20.798 -23.381
  571    HD3  PRO  70           HD3      PRO  70   0.646  22.387 -23.016
  572    H    ASP  71           H        ASP  71  -3.494  18.408 -23.063
  573    HA   ASP  71           HA       ASP  71  -2.824  16.376 -21.264
  574    HB2  ASP  71           HB2      ASP  71  -4.687  15.236 -22.020
  575    HB3  ASP  71           HB3      ASP  71  -5.095  16.913 -22.342
  576    H    ASP  72           H        ASP  72  -1.959  16.711 -24.706
  577    HA   ASP  72           HA       ASP  72  -1.058  14.038 -25.093
  578    HB2  ASP  72           HB2      ASP  72  -1.576  15.609 -26.928
  579    HB3  ASP  72           HB3      ASP  72  -0.194  16.610 -26.472
  580    H    GLU  73           H        GLU  73   0.458  16.773 -23.493
  581    HA   GLU  73           HA       GLU  73   3.135  15.495 -23.426
  582    HB2  GLU  73           HB2      GLU  73   2.035  17.943 -21.971
  583    HB3  GLU  73           HB3      GLU  73   3.696  17.379 -21.911
  584    HG2  GLU  73           HG2      GLU  73   2.228  18.457 -24.353
  585    HG3  GLU  73           HG3      GLU  73   3.472  19.281 -23.425
  586    H    CYS  74           H        CYS  74   0.206  16.002 -21.447
  587    HA   CYS  74           HA       CYS  74   1.454  15.012 -19.040
  588    HB2  CYS  74           HB2      CYS  74  -1.441  15.724 -19.601
  589    HB3  CYS  74           HB3      CYS  74  -0.740  15.357 -18.013
  590    HG   CYS  74           HG       CYS  74  -0.085  17.798 -20.132
  591    H    LEU  75           H        LEU  75   0.862  13.312 -21.576
  592    HA   LEU  75           HA       LEU  75  -0.851  11.154 -20.731
  593    HB2  LEU  75           HB2      LEU  75   0.013  12.255 -23.116
  594    HB3  LEU  75           HB3      LEU  75   1.074  10.876 -23.021
  595    HG   LEU  75           HG       LEU  75  -0.879  10.532 -24.383
  596   HD11  LEU  75          HD11      LEU  75   0.070   8.556 -23.174
  597   HD12  LEU  75          HD12      LEU  75  -1.164   8.772 -21.912
  598   HD13  LEU  75          HD13      LEU  75  -1.647   8.381 -23.573
  599   HD21  LEU  75          HD21      LEU  75  -2.440  12.030 -23.134
  600   HD22  LEU  75          HD22      LEU  75  -3.142  10.481 -23.627
  601   HD23  LEU  75          HD23      LEU  75  -2.667  10.728 -21.943
  602    H    LYS  76           H        LYS  76   2.501  11.919 -20.261
  603    HA   LYS  76           HA       LYS  76   3.139   9.075 -19.564
  604    HB2  LYS  76           HB2      LYS  76   4.873  11.082 -21.052
  605    HB3  LYS  76           HB3      LYS  76   5.414   9.503 -20.468
  606    HG2  LYS  76           HG2      LYS  76   3.658   8.400 -21.871
  607    HG3  LYS  76           HG3      LYS  76   3.240   9.974 -22.557
  608    HD2  LYS  76           HD2      LYS  76   5.973   8.637 -22.750
  609    HD3  LYS  76           HD3      LYS  76   4.733   8.637 -24.013
  610    HE2  LYS  76           HE2      LYS  76   4.828  11.127 -24.106
  611    HE3  LYS  76           HE3      LYS  76   6.104  11.119 -22.881
  612    HZ1  LYS  76           HZ1      LYS  76   6.318   9.884 -25.566
  613    HZ2  LYS  76           HZ2      LYS  76   7.019  11.278 -25.103
  614    HZ3  LYS  76           HZ3      LYS  76   7.495   9.874 -24.431
  615    H    ASP  77           H        ASP  77   3.509  12.481 -18.674
  616    HA   ASP  77           HA       ASP  77   4.206  11.720 -15.995
  617    HB2  ASP  77           HB2      ASP  77   6.481  11.946 -17.317
  618    HB3  ASP  77           HB3      ASP  77   6.126  13.672 -17.319
  619    H    MET  78           H        MET  78   4.214  14.040 -14.706
  620    HA   MET  78           HA       MET  78   1.967  15.590 -15.895
  621    HB2  MET  78           HB2      MET  78   3.295  15.677 -13.159
  622    HB3  MET  78           HB3      MET  78   1.949  16.706 -13.664
  623    HG2  MET  78           HG2      MET  78   1.885  13.670 -13.463
  624    HG3  MET  78           HG3      MET  78   1.247  14.796 -12.284
  625    HE1  MET  78           HE1      MET  78   0.805  13.641 -16.142
  626    HE2  MET  78           HE2      MET  78   0.426  12.408 -14.915
  627    HE3  MET  78           HE3      MET  78  -0.864  13.096 -15.918
  628    H    TYR  79           H        TYR  79   2.265  17.733 -16.667
  629    HA   TYR  79           HA       TYR  79   4.963  18.943 -16.406
  630    HB2  TYR  79           HB2      TYR  79   3.396  18.439 -18.964
  631    HB3  TYR  79           HB3      TYR  79   4.753  19.543 -18.860
  632    HD1  TYR  79           HD1      TYR  79   3.718  16.027 -19.017
  633    HD2  TYR  79           HD2      TYR  79   7.061  18.736 -18.756
  634    HE1  TYR  79           HE1      TYR  79   5.222  14.216 -19.738
  635    HE2  TYR  79           HE2      TYR  79   8.584  16.928 -19.504
  636    HH   TYR  79           HH       TYR  79   7.420  13.601 -20.221
  637    H    VAL  80           H        VAL  80   4.997  21.172 -16.895
  638    HA   VAL  80           HA       VAL  80   2.426  22.646 -16.882
  639    HB   VAL  80           HB       VAL  80   3.492  24.118 -15.067
  640   HG11  VAL  80          HG11      VAL  80   2.600  22.776 -13.222
  641   HG12  VAL  80          HG12      VAL  80   1.522  22.764 -14.610
  642   HG13  VAL  80          HG13      VAL  80   2.535  21.340 -14.270
  643   HG21  VAL  80          HG21      VAL  80   5.019  23.074 -13.478
  644   HG22  VAL  80          HG22      VAL  80   5.081  21.579 -14.437
  645   HG23  VAL  80          HG23      VAL  80   5.768  23.084 -15.080
  646    H    GLU  81           H        GLU  81   2.549  24.692 -17.762
  647    HA   GLU  81           HA       GLU  81   4.935  25.276 -19.414
  648    HB2  GLU  81           HB2      GLU  81   2.199  26.613 -19.175
  649    HB3  GLU  81           HB3      GLU  81   3.523  27.185 -20.203
  650    HG2  GLU  81           HG2      GLU  81   3.515  24.962 -21.380
  651    HG3  GLU  81           HG3      GLU  81   2.095  24.502 -20.439
  652    H    VAL  82           H        VAL  82   6.349  26.922 -18.800
  653    HA   VAL  82           HA       VAL  82   5.700  28.504 -16.380
  654    HB   VAL  82           HB       VAL  82   7.728  27.902 -15.282
  655   HG11  VAL  82          HG11      VAL  82   5.755  26.373 -14.963
  656   HG12  VAL  82          HG12      VAL  82   6.499  25.257 -16.119
  657   HG13  VAL  82          HG13      VAL  82   7.328  25.645 -14.602
  658   HG21  VAL  82          HG21      VAL  82   8.384  26.035 -17.601
  659   HG22  VAL  82          HG22      VAL  82   9.273  27.507 -17.141
  660   HG23  VAL  82          HG23      VAL  82   9.259  26.117 -16.057
  661    H    ALA  83           H        ALA  83   6.864  30.475 -16.199
  662    HA   ALA  83           HA       ALA  83   8.457  31.276 -18.602
  663    HB1  ALA  83           HB1      ALA  83   7.567  33.553 -18.200
  664    HB2  ALA  83           HB2      ALA  83   6.270  32.407 -18.574
  665    HB3  ALA  83           HB3      ALA  83   6.538  32.927 -16.894
  666    H    ASP  84           H        ASP  84  10.446  32.112 -18.134
  667    HA   ASP  84           HA       ASP  84  11.471  31.723 -15.449
  668    HB2  ASP  84           HB2      ASP  84  12.930  31.201 -17.296
  669    HB3  ASP  84           HB3      ASP  84  12.692  32.803 -18.013
  670    H    ILE  85           H        ILE  85  11.269  33.114 -13.833
  671    HA   ILE  85           HA       ILE  85  10.639  35.945 -14.274
  672    HB   ILE  85           HB       ILE  85  11.228  34.431 -11.712
  673   HG12  ILE  85          HG12      ILE  85   8.484  35.142 -12.863
  674   HG13  ILE  85          HG13      ILE  85   9.198  33.542 -12.943
  675   HG21  ILE  85          HG21      ILE  85  10.109  36.296 -10.559
  676   HG22  ILE  85          HG22      ILE  85  11.437  36.923 -11.501
  677   HG23  ILE  85          HG23      ILE  85   9.774  37.081 -12.117
  678   HD11  ILE  85          HD11      ILE  85   9.298  33.459 -10.444
  679   HD12  ILE  85          HD12      ILE  85   8.390  34.993 -10.393
  680   HD13  ILE  85          HD13      ILE  85   7.658  33.565 -11.095
  681    H    GLY  86           H        GLY  86  13.462  33.875 -13.781
  682    HA2  GLY  86           HA2      GLY  86  15.166  35.550 -12.340
  683    HA3  GLY  86           HA3      GLY  86  15.656  34.259 -13.446
  684    H    GLY  87           H        GLY  87  14.668  35.391 -15.907
  685    HA2  GLY  87           HA2      GLY  87  15.993  38.027 -16.217
  686    HA3  GLY  87           HA3      GLY  87  16.726  36.591 -16.959
  687    H    LYS  88           H        LYS  88  14.449  35.202 -17.950
  688    HA   LYS  88           HA       LYS  88  14.337  36.726 -20.383
  689    HB2  LYS  88           HB2      LYS  88  12.673  34.263 -19.745
  690    HB3  LYS  88           HB3      LYS  88  13.027  34.951 -21.331
  691    HG2  LYS  88           HG2      LYS  88  15.533  34.587 -20.777
  692    HG3  LYS  88           HG3      LYS  88  14.974  33.629 -19.406
  693    HD2  LYS  88           HD2      LYS  88  15.357  32.030 -21.023
  694    HD3  LYS  88           HD3      LYS  88  13.602  32.264 -21.140
  695    HE2  LYS  88           HE2      LYS  88  14.041  33.876 -23.063
  696    HE3  LYS  88           HE3      LYS  88  15.762  33.493 -22.927
  697    HZ1  LYS  88           HZ1      LYS  88  14.859  32.137 -24.621
  698    HZ2  LYS  88           HZ2      LYS  88  15.079  31.118 -23.352
  699    HZ3  LYS  88           HZ3      LYS  88  13.576  31.668 -23.721
  700    H    ASP  89           H        ASP  89  11.836  36.025 -17.944
  701    HA   ASP  89           HA       ASP  89   9.946  36.939 -17.333
  702    HB2  ASP  89           HB2      ASP  89  11.412  38.850 -16.980
  703    HB3  ASP  89           HB3      ASP  89  11.060  39.450 -18.600
  704    H    ASP  90           H        ASP  90  10.432  37.082 -20.773
  705    HA   ASP  90           HA       ASP  90   7.500  37.303 -21.267
  706    HB2  ASP  90           HB2      ASP  90   8.769  39.451 -21.537
  707    HB3  ASP  90           HB3      ASP  90   9.778  38.655 -22.748
  708    H    ASP  91           H        ASP  91   9.365  34.975 -21.168
  709    HA   ASP  91           HA       ASP  91   8.630  33.791 -23.766
  710    HB2  ASP  91           HB2      ASP  91  11.009  34.416 -24.037
  711    HB3  ASP  91           HB3      ASP  91  11.407  33.548 -22.548
  712    H    VAL  92           H        VAL  92   8.549  31.388 -23.586
  713    HA   VAL  92           HA       VAL  92   7.931  30.519 -20.814
  714    HB   VAL  92           HB       VAL  92   6.133  30.187 -23.230
  715   HG11  VAL  92          HG11      VAL  92   5.620  29.574 -20.292
  716   HG12  VAL  92          HG12      VAL  92   4.422  29.455 -21.596
  717   HG13  VAL  92          HG13      VAL  92   5.814  28.379 -21.594
  718   HG21  VAL  92          HG21      VAL  92   6.039  32.542 -22.601
  719   HG22  VAL  92          HG22      VAL  92   4.564  31.753 -22.058
  720   HG23  VAL  92          HG23      VAL  92   5.850  32.113 -20.887
  721    H    TYR  93           H        TYR  93   8.164  28.391 -20.451
  722    HA   TYR  93           HA       TYR  93   9.254  26.543 -22.515
  723    HB2  TYR  93           HB2      TYR  93  10.103  26.907 -19.605
  724    HB3  TYR  93           HB3      TYR  93  10.687  25.641 -20.663
  725    HD1  TYR  93           HD2      TYR  93  11.585  26.738 -23.094
  726    HD2  TYR  93           HD1      TYR  93  11.772  28.473 -19.143
  727    HE1  TYR  93           HE2      TYR  93  13.653  27.943 -23.723
  728    HE2  TYR  93           HE1      TYR  93  13.856  29.653 -19.754
  729    HH   TYR  93           HH       TYR  93  15.549  29.851 -21.354
  730    H    THR  94           H        THR  94   9.249  24.276 -21.287
  731    HA   THR  94           HA       THR  94   6.784  23.927 -19.651
  732    HB   THR  94           HB       THR  94   7.615  21.867 -21.711
  733    HG1  THR  94           HG1      THR  94   7.032  23.753 -22.823
  734   HG21  THR  94          HG21      THR  94   4.977  22.397 -20.275
  735   HG22  THR  94          HG22      THR  94   5.314  21.068 -21.411
  736   HG23  THR  94          HG23      THR  94   6.150  21.129 -19.850
  737    H    ALA  95           H        ALA  95   7.118  22.713 -17.897
  738    HA   ALA  95           HA       ALA  95   9.777  21.421 -17.463
  739    HB1  ALA  95           HB1      ALA  95   9.596  22.244 -15.120
  740    HB2  ALA  95           HB2      ALA  95   9.613  23.599 -16.271
  741    HB3  ALA  95           HB3      ALA  95   8.089  23.083 -15.523
  742    H    LYS  96           H        LYS  96   9.609  19.664 -15.806
  743    HA   LYS  96           HA       LYS  96   7.074  18.153 -16.006
  744    HB2  LYS  96           HB2      LYS  96   9.641  17.585 -14.425
  745    HB3  LYS  96           HB3      LYS  96   8.192  16.603 -14.440
  746    HG2  LYS  96           HG2      LYS  96   9.705  15.488 -15.809
  747    HG3  LYS  96           HG3      LYS  96   8.459  16.148 -16.845
  748    HD2  LYS  96           HD2      LYS  96  10.711  16.292 -17.851
  749    HD3  LYS  96           HD3      LYS  96   9.973  17.871 -17.668
  750    HE2  LYS  96           HE2      LYS  96  12.317  18.020 -17.088
  751    HE3  LYS  96           HE3      LYS  96  11.350  18.306 -15.647
  752    HZ1  LYS  96           HZ1      LYS  96  12.851  15.838 -16.287
  753    HZ2  LYS  96           HZ2      LYS  96  13.109  16.916 -15.057
  754    HZ3  LYS  96           HZ3      LYS  96  11.808  15.958 -15.017
  755    H    LEU  97           H        LEU  97   5.611  18.145 -14.268
  756    HA   LEU  97           HA       LEU  97   5.808  20.178 -12.210
  757    HB2  LEU  97           HB2      LEU  97   3.643  19.128 -12.990
  758    HB3  LEU  97           HB3      LEU  97   4.154  17.623 -12.215
  759    HG   LEU  97           HG       LEU  97   4.204  18.808  -9.996
  760   HD11  LEU  97          HD11      LEU  97   3.031  21.121 -11.610
  761   HD12  LEU  97          HD12      LEU  97   3.004  21.016  -9.844
  762   HD13  LEU  97          HD13      LEU  97   4.548  21.137 -10.682
  763   HD21  LEU  97          HD21      LEU  97   1.567  18.979 -11.503
  764   HD22  LEU  97          HD22      LEU  97   2.241  17.529 -10.718
  765   HD23  LEU  97          HD23      LEU  97   1.768  18.922  -9.737
  766    H    SER  98           H        SER  98   6.817  16.844 -12.630
  767    HA   SER  98           HA       SER  98   7.673  16.078 -10.087
  768    HB2  SER  98           HB2      SER  98   8.973  15.370 -12.743
  769    HB3  SER  98           HB3      SER  98   8.754  14.338 -11.326
  770    HG   SER  98           HG       SER  98   7.180  14.354 -13.360
  771    H    ASP  99           H        ASP  99   8.954  18.670 -11.939
  772    HA   ASP  99           HA       ASP  99  11.547  18.615 -10.459
  773    HB2  ASP  99           HB2      ASP  99  10.921  19.436 -13.324
  774    HB3  ASP  99           HB3      ASP  99  12.313  20.067 -12.466
  775    H    ILE 100           H        ILE 100   8.610  19.907 -10.182
  776    HA   ILE 100           HA       ILE 100   9.541  22.727  -9.880
  777    HB   ILE 100           HB       ILE 100   7.035  21.510 -10.943
  778   HG12  ILE 100          HG12      ILE 100   9.012  22.642 -12.187
  779   HG13  ILE 100          HG13      ILE 100   7.354  22.953 -12.703
  780   HG21  ILE 100          HG21      ILE 100   5.713  23.573 -10.626
  781   HG22  ILE 100          HG22      ILE 100   6.007  22.699  -9.121
  782   HG23  ILE 100          HG23      ILE 100   6.932  24.172  -9.479
  783   HD11  ILE 100          HD11      ILE 100   8.826  24.949 -12.708
  784   HD12  ILE 100          HD12      ILE 100   7.384  25.157 -11.706
  785   HD13  ILE 100          HD13      ILE 100   8.957  24.838 -10.940
  786    H    GLU 101           H        GLU 101   9.144  23.747  -8.081
  787    HA   GLU 101           HA       GLU 101   7.754  22.380  -5.830
  788    HB2  GLU 101           HB2      GLU 101  10.220  22.134  -5.634
  789    HB3  GLU 101           HB3      GLU 101  10.408  23.891  -5.699
  790    HG2  GLU 101           HG2      GLU 101   9.032  24.093  -3.626
  791    HG3  GLU 101           HG3      GLU 101   8.845  22.337  -3.583
  792    H    ALA 102           H        ALA 102   5.958  23.652  -5.562
  793    HA   ALA 102           HA       ALA 102   5.818  26.320  -6.639
  794    HB1  ALA 102           HB1      ALA 102   3.843  24.871  -6.506
  795    HB2  ALA 102           HB2      ALA 102   3.948  24.862  -4.728
  796    HB3  ALA 102           HB3      ALA 102   3.592  26.366  -5.614
  797    H    ILE 103           H        ILE 103   5.627  28.262  -5.586
  798    HA   ILE 103           HA       ILE 103   6.702  28.424  -2.800
  799    HB   ILE 103           HB       ILE 103   7.037  30.254  -5.203
  800   HG12  ILE 103          HG12      ILE 103   9.200  28.766  -3.639
  801   HG13  ILE 103          HG13      ILE 103   8.483  28.127  -5.106
  802   HG21  ILE 103          HG21      ILE 103   8.128  30.608  -2.377
  803   HG22  ILE 103          HG22      ILE 103   8.469  31.661  -3.768
  804   HG23  ILE 103          HG23      ILE 103   6.841  31.585  -3.117
  805   HD11  ILE 103          HD11      ILE 103  10.111  30.685  -4.897
  806   HD12  ILE 103          HD12      ILE 103  10.538  29.180  -5.711
  807   HD13  ILE 103          HD13      ILE 103   9.222  30.173  -6.353
  808    H    ASP 104           H        ASP 104   5.491  29.455  -1.367
  809    HA   ASP 104           HA       ASP 104   3.697  30.345  -0.359
  810    HB2  ASP 104           HB2      ASP 104   5.129  32.243  -0.977
  811    HB3  ASP 104           HB3      ASP 104   4.186  32.481  -2.449
  812    H    VAL 105           H        VAL 105   2.757  28.367  -1.996
  813    HA   VAL 105           HA       VAL 105   0.451  29.491  -3.471
  814    HB   VAL 105           HB       VAL 105   2.224  27.906  -4.461
  815   HG11  VAL 105          HG11      VAL 105   0.597  25.807  -3.017
  816   HG12  VAL 105          HG12      VAL 105   1.687  25.497  -4.360
  817   HG13  VAL 105          HG13      VAL 105   2.324  26.137  -2.835
  818   HG21  VAL 105          HG21      VAL 105   0.736  27.095  -6.053
  819   HG22  VAL 105          HG22      VAL 105  -0.669  27.264  -4.968
  820   HG23  VAL 105          HG23      VAL 105   0.197  28.696  -5.563
  821    H    ASP 106           H        ASP 106  -1.586  27.950  -3.389
  822    HA   ASP 106           HA       ASP 106  -2.556  28.045  -0.692
  823    HB2  ASP 106           HB2      ASP 106  -3.960  28.251  -2.819
  824    HB3  ASP 106           HB3      ASP 106  -3.761  26.489  -2.977
  825    H    ASP 107           H        ASP 107  -3.590  26.171   0.292
  826    HA   ASP 107           HA       ASP 107  -1.593  24.187   1.020
  827    HB2  ASP 107           HB2      ASP 107  -3.188  25.046   2.663
  828    HB3  ASP 107           HB3      ASP 107  -4.547  24.464   1.697
  829    H    ASP 108           H        ASP 108  -4.599  24.157  -1.007
  830    HA   ASP 108           HA       ASP 108  -4.505  21.291  -1.280
  831    HB2  ASP 108           HB2      ASP 108  -6.489  22.986  -1.494
  832    HB3  ASP 108           HB3      ASP 108  -5.949  23.171  -3.163
  833    H    THR 109           H        THR 109  -3.013  23.984  -2.970
  834    HA   THR 109           HA       THR 109  -2.289  22.486  -5.385
  835    HB   THR 109           HB       THR 109  -1.145  25.118  -4.291
  836    HG1  THR 109           HG1      THR 109  -3.469  25.078  -4.701
  837   HG21  THR 109          HG21      THR 109  -0.701  25.571  -6.692
  838   HG22  THR 109          HG22      THR 109   0.259  24.210  -6.084
  839   HG23  THR 109          HG23      THR 109  -1.182  23.949  -7.097
  840    H    GLN 110           H        GLN 110  -0.692  23.527  -2.300
  841    HA   GLN 110           HA       GLN 110   1.789  22.293  -2.873
  842    HB2  GLN 110           HB2      GLN 110   1.009  23.991  -0.984
  843    HB3  GLN 110           HB3      GLN 110   0.735  22.529  -0.041
  844    HG2  GLN 110           HG2      GLN 110   3.340  23.443  -1.349
  845    HG3  GLN 110           HG3      GLN 110   2.963  23.514   0.366
  846   HE21  GLN 110          HE22      GLN 110   4.444  21.623  -2.065
  847   HE22  GLN 110          HE21      GLN 110   4.518  20.104  -1.207
  848    H    GLU 111           H        GLU 111  -1.153  21.031  -1.177
  849    HA   GLU 111           HA       GLU 111  -0.115  18.487  -0.547
  850    HB2  GLU 111           HB2      GLU 111  -2.909  19.546  -1.079
  851    HB3  GLU 111           HB3      GLU 111  -2.659  17.828  -0.811
  852    HG2  GLU 111           HG2      GLU 111  -1.767  20.009   1.109
  853    HG3  GLU 111           HG3      GLU 111  -3.266  19.086   1.252
  854    H    ALA 112           H        ALA 112  -1.768  19.552  -3.587
  855    HA   ALA 112           HA       ALA 112  -1.742  16.949  -4.759
  856    HB1  ALA 112           HB1      ALA 112  -2.043  18.200  -6.893
  857    HB2  ALA 112           HB2      ALA 112  -3.139  18.742  -5.604
  858    HB3  ALA 112           HB3      ALA 112  -1.713  19.716  -6.018
  859    H    ILE 113           H        ILE 113   0.709  19.583  -4.767
  860    HA   ILE 113           HA       ILE 113   2.492  18.272  -6.599
  861    HB   ILE 113           HB       ILE 113   2.793  20.479  -4.548
  862   HG12  ILE 113          HG12      ILE 113   2.985  20.622  -7.583
  863   HG13  ILE 113          HG13      ILE 113   1.428  20.682  -6.770
  864   HG21  ILE 113          HG21      ILE 113   5.009  19.484  -4.706
  865   HG22  ILE 113          HG22      ILE 113   4.926  19.472  -6.483
  866   HG23  ILE 113          HG23      ILE 113   5.013  21.004  -5.589
  867   HD11  ILE 113          HD11      ILE 113   2.135  22.927  -7.191
  868   HD12  ILE 113          HD12      ILE 113   2.151  22.630  -5.444
  869   HD13  ILE 113          HD13      ILE 113   3.682  22.649  -6.363
  870    H    ALA 114           H        ALA 114   2.441  18.406  -2.976
  871    HA   ALA 114           HA       ALA 114   4.701  16.749  -2.570
  872    HB1  ALA 114           HB1      ALA 114   2.208  17.127  -0.844
  873    HB2  ALA 114           HB2      ALA 114   3.745  16.415  -0.308
  874    HB3  ALA 114           HB3      ALA 114   3.679  18.123  -0.787
  875    H    ASP 115           H        ASP 115   1.234  16.003  -2.977
  876    HA   ASP 115           HA       ASP 115   1.408  13.247  -2.504
  877    HB2  ASP 115           HB2      ASP 115  -0.674  14.567  -2.482
  878    HB3  ASP 115           HB3      ASP 115  -0.592  14.727  -4.239
  879    H    TRP 116           H        TRP 116   1.697  15.092  -5.575
  880    HA   TRP 116           HA       TRP 116   2.102  12.793  -7.238
  881    HB2  TRP 116           HB2      TRP 116   1.459  14.970  -8.142
  882    HB3  TRP 116           HB3      TRP 116   2.952  15.697  -7.551
  883    HD1  TRP 116           HD1      TRP 116   4.859  15.801  -9.238
  884    HE1  TRP 116           HE1      TRP 116   5.561  14.564 -11.369
  885    HE3  TRP 116           HE3      TRP 116   1.025  12.410  -9.507
  886    HZ2  TRP 116           HZ2      TRP 116   4.647  12.310 -12.917
  887    HZ3  TRP 116           HZ3      TRP 116   0.968  10.731 -11.327
  888    HH2  TRP 116           HH2      TRP 116   2.778  10.653 -13.023
  889    H    LEU 117           H        LEU 117   4.326  14.789  -5.217
  890    HA   LEU 117           HA       LEU 117   6.681  13.692  -6.422
  891    HB2  LEU 117           HB2      LEU 117   6.178  15.218  -3.856
  892    HB3  LEU 117           HB3      LEU 117   7.785  14.648  -4.290
  893    HG   LEU 117           HG       LEU 117   6.140  16.399  -6.167
  894   HD11  LEU 117          HD11      LEU 117   7.455  18.303  -5.342
  895   HD12  LEU 117          HD12      LEU 117   6.482  17.586  -4.048
  896   HD13  LEU 117          HD13      LEU 117   8.229  17.259  -4.124
  897   HD21  LEU 117          HD21      LEU 117   9.117  15.763  -6.059
  898   HD22  LEU 117          HD22      LEU 117   7.963  15.199  -7.286
  899   HD23  LEU 117          HD23      LEU 117   8.341  16.916  -7.165
  900    H    TYR 118           H        TYR 118   4.866  12.674  -3.420
  901    HA   TYR 118           HA       TYR 118   6.853  10.593  -2.981
  902    HB2  TYR 118           HB2      TYR 118   5.624   9.773  -1.252
  903    HB3  TYR 118           HB3      TYR 118   5.329  11.490  -1.179
  904    HD1  TYR 118           HD1      TYR 118   3.824   8.254  -2.451
  905    HD2  TYR 118           HD2      TYR 118   3.100  12.232  -0.939
  906    HE1  TYR 118           HE1      TYR 118   1.393   7.895  -2.704
  907    HE2  TYR 118           HE2      TYR 118   0.669  11.833  -1.087
  908    HH   TYR 118           HH       TYR 118  -0.904  10.604  -2.257
  909    H    TRP 119           H        TRP 119   3.933  10.859  -5.024
  910    HA   TRP 119           HA       TRP 119   3.758   8.058  -5.631
  911    HB2  TRP 119           HB2      TRP 119   1.903   9.521  -6.030
  912    HB3  TRP 119           HB3      TRP 119   2.860  10.572  -7.061
  913    HD1  TRP 119           HD1      TRP 119   3.357   9.833  -9.499
  914    HE1  TRP 119           HE1      TRP 119   2.218   8.140 -11.097
  915    HE3  TRP 119           HE3      TRP 119   0.865   7.029  -6.028
  916    HZ2  TRP 119           HZ2      TRP 119   0.582   5.782 -10.838
  917    HZ3  TRP 119           HZ3      TRP 119  -0.419   5.016  -6.716
  918    HH2  TRP 119           HH2      TRP 119  -0.569   4.385  -9.115
  919    H    LEU 120           H        LEU 120   5.646  10.810  -7.011
  920    HA   LEU 120           HA       LEU 120   6.883   9.430  -9.067
  921    HB2  LEU 120           HB2      LEU 120   7.118  11.953  -7.991
  922    HB3  LEU 120           HB3      LEU 120   8.593  11.241  -7.367
  923    HG   LEU 120           HG       LEU 120   8.972  10.468  -9.868
  924   HD11  LEU 120          HD11      LEU 120   7.051  12.832 -10.187
  925   HD12  LEU 120          HD12      LEU 120   7.949  12.041 -11.492
  926   HD13  LEU 120          HD13      LEU 120   6.683  11.159 -10.622
  927   HD21  LEU 120          HD21      LEU 120  10.394  12.082  -8.673
  928   HD22  LEU 120          HD22      LEU 120  10.119  12.594 -10.344
  929   HD23  LEU 120          HD23      LEU 120   9.235  13.386  -9.012
  930    H    ALA 121           H        ALA 121   7.834   9.684  -5.602
  931    HA   ALA 121           HA       ALA 121  10.155   8.074  -5.741
  932    HB1  ALA 121           HB1      ALA 121   9.650   9.682  -3.916
  933    HB2  ALA 121           HB2      ALA 121   8.360   8.603  -3.333
  934    HB3  ALA 121           HB3      ALA 121  10.047   8.067  -3.300
  935    H    ARG 122           H        ARG 122   6.757   7.141  -5.405
  936    HA   ARG 122           HA       ARG 122   6.953   4.559  -4.435
  937    HB2  ARG 122           HB2      ARG 122   4.990   6.207  -5.617
  938    HB3  ARG 122           HB3      ARG 122   5.048   4.828  -6.699
  939    HG2  ARG 122           HG2      ARG 122   3.400   4.241  -5.172
  940    HG3  ARG 122           HG3      ARG 122   4.811   3.436  -4.463
  941    HD2  ARG 122           HD2      ARG 122   5.190   5.530  -3.081
  942    HD3  ARG 122           HD3      ARG 122   3.677   6.183  -3.703
  943    HE   ARG 122           HE       ARG 122   4.066   4.182  -1.647
  944   HH11  ARG 122          HH11      ARG 122   1.651   5.177  -4.132
  945   HH12  ARG 122          HH12      ARG 122   0.323   4.595  -3.137
  946   HH21  ARG 122          HH21      ARG 122   2.191   3.628  -0.406
  947   HH22  ARG 122          HH22      ARG 122   0.609   3.725  -1.203
  948    H    GLY 123           H        GLY 123   8.113   5.624  -7.565
  949    HA2  GLY 123           HA2      GLY 123   9.219   4.338  -9.195
  950    HA3  GLY 123           HA3      GLY 123   8.810   2.844  -8.331
  951    H    TYR 124           H        TYR 124   6.573   5.444  -9.138
  952    HA   TYR 124           HA       TYR 124   4.485   4.048 -10.283
  953    HB2  TYR 124           HB2      TYR 124   3.697   6.163 -10.943
  954    HB3  TYR 124           HB3      TYR 124   4.537   6.418  -9.434
  955    HD1  TYR 124           HD1      TYR 124   7.366   6.900 -10.095
  956    HD2  TYR 124           HD2      TYR 124   3.861   7.988 -12.352
  957    HE1  TYR 124           HE1      TYR 124   8.690   8.517 -11.363
  958    HE2  TYR 124           HE2      TYR 124   5.142   9.674 -13.555
  959    HH   TYR 124           HH       TYR 124   7.237  10.683 -13.840
  960    H    LYS 125           H        LYS 125   3.615   4.285 -12.484
  961    HA   LYS 125           HA       LYS 125   5.642   4.249 -14.678
  962    HB2  LYS 125           HB2      LYS 125   3.246   2.390 -14.380
  963    HB3  LYS 125           HB3      LYS 125   4.413   2.368 -15.696
  964    HG2  LYS 125           HG2      LYS 125   5.049   1.740 -12.783
  965    HG3  LYS 125           HG3      LYS 125   4.693   0.546 -14.027
  966    HD2  LYS 125           HD2      LYS 125   6.690   1.176 -15.307
  967    HD3  LYS 125           HD3      LYS 125   7.025   2.503 -14.198
  968    HE2  LYS 125           HE2      LYS 125   8.504   0.727 -13.623
  969    HE3  LYS 125           HE3      LYS 125   7.317   0.892 -12.328
  970    HZ1  LYS 125           HZ1      LYS 125   6.157  -1.041 -13.244
  971    HZ2  LYS 125           HZ2      LYS 125   7.243  -1.169 -14.463
  972    HZ3  LYS 125           HZ3      LYS 125   7.707  -1.421 -12.925
  973    H    PHE 126           H        PHE 126   2.808   5.691 -13.467
  974    HA   PHE 126           HA       PHE 126   2.170   7.022 -15.961
  975    HB2  PHE 126           HB2      PHE 126  -0.306   6.429 -15.593
  976    HB3  PHE 126           HB3      PHE 126   0.712   5.244 -16.377
  977    HD1  PHE 126           HD1      PHE 126  -0.943   6.089 -13.134
  978    HD2  PHE 126           HD2      PHE 126   1.069   3.056 -15.440
  979    HE1  PHE 126           HE1      PHE 126  -1.585   4.380 -11.451
  980    HE2  PHE 126           HE2      PHE 126   0.489   1.362 -13.725
  981    HZ   PHE 126           HZ       PHE 126  -0.843   2.022 -11.719
  Start of MODEL   19
    1    H1   MET   1           H1       MET   1  10.004  -0.185  -6.828
    2    H2   MET   1           H2       MET   1  11.626   0.007  -6.826
    3    H3   MET   1           H3       MET   1  10.975  -1.477  -6.560
    4    HA   MET   1           HA       MET   1   9.978  -0.736  -4.516
    5    HB2  MET   1           HB2      MET   1  12.253  -1.768  -4.496
    6    HB3  MET   1           HB3      MET   1  12.975  -0.157  -4.593
    7    HG2  MET   1           HG2      MET   1  11.922   0.437  -2.432
    8    HG3  MET   1           HG3      MET   1  11.148  -1.150  -2.365
    9    HE1  MET   1           HE1      MET   1  12.066  -1.443   0.098
   10    HE2  MET   1           HE2      MET   1  13.778  -1.265   0.543
   11    HE3  MET   1           HE3      MET   1  12.852   0.150  -0.005
   12    H    ALA   2           H        ALA   2   8.998   0.974  -3.535
   13    HA   ALA   2           HA       ALA   2   9.248   3.655  -4.538
   14    HB1  ALA   2           HB1      ALA   2   7.741   4.205  -2.638
   15    HB2  ALA   2           HB2      ALA   2   7.155   2.801  -3.538
   16    HB3  ALA   2           HB3      ALA   2   7.980   2.581  -1.975
   17    H    SER   3           H        SER   3   9.799   5.510  -3.236
   18    HA   SER   3           HA       SER   3  11.936   5.118  -1.195
   19    HB2  SER   3           HB2      SER   3  11.700   7.368  -3.225
   20    HB3  SER   3           HB3      SER   3  13.019   7.097  -2.073
   21    HG   SER   3           HG       SER   3  13.529   6.346  -4.185
   22    H    VAL   4           H        VAL   4   8.949   5.418  -0.951
   23    HA   VAL   4           HA       VAL   4   9.079   7.357   1.197
   24    HB   VAL   4           HB       VAL   4   8.166   8.644  -0.737
   25   HG11  VAL   4          HG11      VAL   4   5.950   8.231  -1.625
   26   HG12  VAL   4          HG12      VAL   4   6.944   6.792  -1.895
   27   HG13  VAL   4          HG13      VAL   4   5.740   6.821  -0.579
   28   HG21  VAL   4          HG21      VAL   4   6.294   9.645   0.418
   29   HG22  VAL   4          HG22      VAL   4   6.116   8.226   1.466
   30   HG23  VAL   4          HG23      VAL   4   7.570   9.248   1.578
   31    H    GLU   5           H        GLU   5   7.560   6.779   2.828
   32    HA   GLU   5           HA       GLU   5   7.369   3.985   3.240
   33    HB2  GLU   5           HB2      GLU   5   6.077   6.342   4.684
   34    HB3  GLU   5           HB3      GLU   5   6.157   4.701   5.324
   35    HG2  GLU   5           HG2      GLU   5   8.588   6.431   4.653
   36    HG3  GLU   5           HG3      GLU   5   7.899   6.222   6.255
   37    H    ARG   6           H        ARG   6   5.183   3.023   4.126
   38    HA   ARG   6           HA       ARG   6   3.798   2.326   1.851
   39    HB2  ARG   6           HB2      ARG   6   2.260   1.119   3.311
   40    HB3  ARG   6           HB3      ARG   6   3.922   0.942   3.817
   41    HG2  ARG   6           HG2      ARG   6   3.048   1.254   5.877
   42    HG3  ARG   6           HG3      ARG   6   3.296   2.945   5.500
   43    HD2  ARG   6           HD2      ARG   6   1.103   2.830   6.409
   44    HD3  ARG   6           HD3      ARG   6   0.838   2.976   4.689
   45    HE   ARG   6           HE       ARG   6   0.050   0.799   4.545
   46   HH11  ARG   6          HH11      ARG   6   1.210   1.324   7.880
   47   HH12  ARG   6          HH12      ARG   6   0.437  -0.098   8.477
   48   HH21  ARG   6          HH21      ARG   6  -0.894  -0.939   5.262
   49   HH22  ARG   6          HH22      ARG   6  -0.828  -1.472   6.933
   50    H    ASP   7           H        ASP   7   2.842   4.710   4.237
   51    HA   ASP   7           HA       ASP   7   1.156   6.095   4.559
   52    HB2  ASP   7           HB2      ASP   7   2.311   7.259   2.728
   53    HB3  ASP   7           HB3      ASP   7   1.216   6.510   1.560
   54    H    GLU   8           H        GLU   8   0.163   4.530   1.565
   55    HA   GLU   8           HA       GLU   8  -1.666   3.736   0.698
   56    HB2  GLU   8           HB2      GLU   8  -2.066   2.485   3.440
   57    HB3  GLU   8           HB3      GLU   8  -2.907   2.006   1.964
   58    HG2  GLU   8           HG2      GLU   8  -0.629   1.548   0.920
   59    HG3  GLU   8           HG3      GLU   8   0.068   1.775   2.526
   60    H    THR   9           H        THR   9  -2.426   5.708   3.480
   61    HA   THR   9           HA       THR   9  -5.226   5.956   3.072
   62    HB   THR   9           HB       THR   9  -4.583   8.250   4.139
   63    HG1  THR   9           HG1      THR   9  -2.149   7.756   3.611
   64   HG21  THR   9          HG21      THR   9  -4.288   7.141   6.354
   65   HG22  THR   9          HG22      THR   9  -5.443   6.207   5.389
   66   HG23  THR   9          HG23      THR   9  -3.758   5.645   5.553
   67    H    ARG  10           H        ARG  10  -2.437   7.627   1.647
   68    HA   ARG  10           HA       ARG  10  -4.064   9.341  -0.063
   69    HB2  ARG  10           HB2      ARG  10  -1.082   8.707   0.000
   70    HB3  ARG  10           HB3      ARG  10  -1.826   9.767  -1.199
   71    HG2  ARG  10           HG2      ARG  10  -2.671  11.264   0.545
   72    HG3  ARG  10           HG3      ARG  10  -2.003  10.224   1.815
   73    HD2  ARG  10           HD2      ARG  10   0.268  10.635   1.039
   74    HD3  ARG  10           HD3      ARG  10  -0.317  11.542  -0.351
   75    HE   ARG  10           HE       ARG  10  -0.086  12.432   2.421
   76   HH11  ARG  10          HH11      ARG  10  -1.564  13.195  -0.766
   77   HH12  ARG  10          HH12      ARG  10  -1.920  14.854  -0.266
   78   HH21  ARG  10          HH21      ARG  10  -0.505  14.679   2.896
   79   HH22  ARG  10          HH22      ARG  10  -1.256  15.694   1.694
   80    H    GLU  11           H        GLU  11  -2.368   6.178  -0.469
   81    HA   GLU  11           HA       GLU  11  -2.751   6.020  -3.288
   82    HB2  GLU  11           HB2      GLU  11  -2.741   3.728  -1.288
   83    HB3  GLU  11           HB3      GLU  11  -2.553   3.605  -3.038
   84    HG2  GLU  11           HG2      GLU  11  -0.469   5.023  -2.851
   85    HG3  GLU  11           HG3      GLU  11  -0.595   4.897  -1.093
   86    H    HIS  12           H        HIS  12  -4.880   5.039  -0.540
   87    HA   HIS  12           HA       HIS  12  -6.996   4.026  -2.138
   88    HB2  HIS  12           HB2      HIS  12  -6.751   3.643   0.290
   89    HB3  HIS  12           HB3      HIS  12  -7.075   5.346   0.610
   90    HD1  HIS  12           HD1      HIS  12  -9.676   6.119   0.419
   91    HD2  HIS  12           HD2      HIS  12  -8.840   2.085  -0.466
   92    HE1  HIS  12           HE1      HIS  12 -11.921   4.933   0.304
   93    H    ARG  13           H        ARG  13  -6.409   7.391  -0.886
   94    HA   ARG  13           HA       ARG  13  -8.845   8.438  -1.999
   95    HB2  ARG  13           HB2      ARG  13  -6.264   9.810  -1.182
   96    HB3  ARG  13           HB3      ARG  13  -7.690  10.648  -1.806
   97    HG2  ARG  13           HG2      ARG  13  -9.049   9.427   0.035
   98    HG3  ARG  13           HG3      ARG  13  -7.494   8.984   0.742
   99    HD2  ARG  13           HD2      ARG  13  -8.265  10.960   1.840
  100    HD3  ARG  13           HD3      ARG  13  -6.907  11.439   0.792
  101    HE   ARG  13           HE       ARG  13  -9.318  11.714  -0.689
  102   HH11  ARG  13          HH11      ARG  13  -7.795  13.346   2.093
  103   HH12  ARG  13          HH12      ARG  13  -8.604  14.840   1.793
  104   HH21  ARG  13          HH21      ARG  13 -10.320  13.521  -1.064
  105   HH22  ARG  13          HH22      ARG  13 -10.126  14.976  -0.098
  106    H    ILE  14           H        ILE  14  -5.515   8.231  -3.362
  107    HA   ILE  14           HA       ILE  14  -6.035   9.562  -5.810
  108    HB   ILE  14           HB       ILE  14  -4.152   7.316  -4.997
  109   HG12  ILE  14          HG12      ILE  14  -3.412  10.153  -5.780
  110   HG13  ILE  14          HG13      ILE  14  -3.910   9.778  -4.139
  111   HG21  ILE  14          HG21      ILE  14  -4.492   7.016  -7.380
  112   HG22  ILE  14          HG22      ILE  14  -4.214   8.750  -7.682
  113   HG23  ILE  14          HG23      ILE  14  -2.903   7.702  -7.106
  114   HD11  ILE  14          HD11      ILE  14  -1.512   8.559  -5.570
  115   HD12  ILE  14          HD12      ILE  14  -1.486   9.771  -4.285
  116   HD13  ILE  14          HD13      ILE  14  -2.057   8.132  -3.938
  117    H    GLU  15           H        GLU  15  -6.284   6.053  -4.991
  118    HA   GLU  15           HA       GLU  15  -7.261   5.190  -7.451
  119    HB2  GLU  15           HB2      GLU  15  -6.378   3.740  -5.674
  120    HB3  GLU  15           HB3      GLU  15  -7.772   4.101  -4.657
  121    HG2  GLU  15           HG2      GLU  15  -8.037   1.928  -5.706
  122    HG3  GLU  15           HG3      GLU  15  -9.280   3.053  -6.247
  123    H    THR  16           H        THR  16  -9.138   6.401  -4.638
  124    HA   THR  16           HA       THR  16 -11.640   5.820  -6.044
  125    HB   THR  16           HB       THR  16 -12.667   6.549  -3.876
  126    HG1  THR  16           HG1      THR  16  -9.992   6.497  -2.927
  127   HG21  THR  16          HG21      THR  16 -10.546   4.363  -3.674
  128   HG22  THR  16          HG22      THR  16 -11.993   4.544  -2.657
  129   HG23  THR  16          HG23      THR  16 -12.165   4.181  -4.379
  130    H    GLU  17           H        GLU  17  -9.712   8.666  -5.703
  131    HA   GLU  17           HA       GLU  17 -12.023  10.330  -6.601
  132    HB2  GLU  17           HB2      GLU  17  -9.699  11.238  -4.870
  133    HB3  GLU  17           HB3      GLU  17 -11.092  12.184  -5.375
  134    HG2  GLU  17           HG2      GLU  17 -12.577  10.520  -4.162
  135    HG3  GLU  17           HG3      GLU  17 -11.111   9.816  -3.470
  136    H    ILE  18           H        ILE  18  -8.844   9.346  -7.593
  137    HA   ILE  18           HA       ILE  18  -8.721  11.691  -9.456
  138    HB   ILE  18           HB       ILE  18  -6.410  10.093  -8.299
  139   HG12  ILE  18          HG12      ILE  18  -7.542  12.829  -7.556
  140   HG13  ILE  18          HG13      ILE  18  -7.451  11.404  -6.523
  141   HG21  ILE  18          HG21      ILE  18  -4.980  11.789  -9.317
  142   HG22  ILE  18          HG22      ILE  18  -5.967  11.048 -10.559
  143   HG23  ILE  18          HG23      ILE  18  -6.403  12.652  -9.943
  144   HD11  ILE  18          HD11      ILE  18  -5.132  13.121  -7.451
  145   HD12  ILE  18          HD12      ILE  18  -5.737  12.872  -5.807
  146   HD13  ILE  18          HD13      ILE  18  -4.935  11.539  -6.666
  147    H    ILE  19           H        ILE  19  -8.159   8.147  -9.169
  148    HA   ILE  19           HA       ILE  19  -8.332   7.987 -12.150
  149    HB   ILE  19           HB       ILE  19  -6.802   6.125 -12.044
  150   HG12  ILE  19          HG12      ILE  19  -6.506   6.915  -9.120
  151   HG13  ILE  19          HG13      ILE  19  -7.045   5.360  -9.776
  152   HG21  ILE  19          HG21      ILE  19  -4.843   7.537 -12.010
  153   HG22  ILE  19          HG22      ILE  19  -6.188   8.484 -12.624
  154   HG23  ILE  19          HG23      ILE  19  -5.634   8.713 -10.947
  155   HD11  ILE  19          HD11      ILE  19  -4.310   6.639  -9.901
  156   HD12  ILE  19          HD12      ILE  19  -4.775   5.111  -9.110
  157   HD13  ILE  19          HD13      ILE  19  -4.768   5.241 -10.894
  158    H    VAL  20           H        VAL  20 -10.326   7.495  -9.763
  159    HA   VAL  20           HA       VAL  20 -11.131   4.850  -9.797
  160    HB   VAL  20           HB       VAL  20 -11.870   6.686  -8.317
  161   HG11  VAL  20          HG11      VAL  20 -12.460   8.419  -9.970
  162   HG12  VAL  20          HG12      VAL  20 -13.867   7.452 -10.469
  163   HG13  VAL  20          HG13      VAL  20 -13.765   8.102  -8.824
  164   HG21  VAL  20          HG21      VAL  20 -12.993   4.502  -8.268
  165   HG22  VAL  20          HG22      VAL  20 -14.087   5.828  -7.841
  166   HG23  VAL  20          HG23      VAL  20 -14.184   5.086  -9.452
  167    H    ASP  21           H        ASP  21 -11.712   7.285 -12.290
  168    HA   ASP  21           HA       ASP  21 -13.646   5.573 -13.714
  169    HB2  ASP  21           HB2      ASP  21 -14.057   8.002 -13.293
  170    HB3  ASP  21           HB3      ASP  21 -12.656   8.389 -14.292
  171    H    ALA  22           H        ALA  22 -10.472   5.259 -13.507
  172    HA   ALA  22           HA       ALA  22  -9.908   5.002 -16.443
  173    HB1  ALA  22           HB1      ALA  22  -8.941   7.097 -15.669
  174    HB2  ALA  22           HB2      ALA  22  -8.275   6.315 -14.216
  175    HB3  ALA  22           HB3      ALA  22  -7.653   5.880 -15.810
  176    H    GLU  23           H        GLU  23  -8.355   3.371 -16.951
  177    HA   GLU  23           HA       GLU  23  -7.455   1.570 -14.761
  178    HB2  GLU  23           HB2      GLU  23  -9.170   0.738 -17.142
  179    HB3  GLU  23           HB3      GLU  23  -8.274  -0.375 -16.108
  180    HG2  GLU  23           HG2      GLU  23  -9.574   0.449 -14.131
  181    HG3  GLU  23           HG3      GLU  23 -10.554   1.436 -15.222
  182    H    ASP  24           H        ASP  24  -7.304   2.568 -18.220
  183    HA   ASP  24           HA       ASP  24  -4.856   0.980 -18.658
  184    HB2  ASP  24           HB2      ASP  24  -6.750   1.745 -20.400
  185    HB3  ASP  24           HB3      ASP  24  -5.705   3.169 -20.520
  186    H    LYS  25           H        LYS  25  -2.882   2.281 -19.494
  187    HA   LYS  25           HA       LYS  25  -2.133   4.064 -17.319
  188    HB2  LYS  25           HB2      LYS  25   0.026   4.232 -18.356
  189    HB3  LYS  25           HB3      LYS  25  -0.512   2.552 -18.331
  190    HG2  LYS  25           HG2      LYS  25  -1.189   2.816 -20.764
  191    HG3  LYS  25           HG3      LYS  25  -0.538   4.456 -20.721
  192    HD2  LYS  25           HD2      LYS  25   1.083   2.978 -21.734
  193    HD3  LYS  25           HD3      LYS  25   1.710   3.569 -20.185
  194    HE2  LYS  25           HE2      LYS  25   1.046   1.440 -19.098
  195    HE3  LYS  25           HE3      LYS  25   0.357   0.863 -20.619
  196    HZ1  LYS  25           HZ1      LYS  25   2.589   0.924 -21.577
  197    HZ2  LYS  25           HZ2      LYS  25   3.228   1.462 -20.171
  198    HZ3  LYS  25           HZ3      LYS  25   2.572  -0.026 -20.256
  199    H    GLU  26           H        GLU  26  -3.248   4.531 -20.643
  200    HA   GLU  26           HA       GLU  26  -2.537   7.322 -20.816
  201    HB2  GLU  26           HB2      GLU  26  -4.696   5.729 -22.283
  202    HB3  GLU  26           HB3      GLU  26  -4.119   7.341 -22.721
  203    HG2  GLU  26           HG2      GLU  26  -1.818   6.376 -23.061
  204    HG3  GLU  26           HG3      GLU  26  -2.471   4.772 -22.738
  205    H    GLU  27           H        GLU  27  -5.468   5.488 -19.827
  206    HA   GLU  27           HA       GLU  27  -7.120   7.778 -19.353
  207    HB2  GLU  27           HB2      GLU  27  -7.215   5.019 -18.072
  208    HB3  GLU  27           HB3      GLU  27  -8.524   6.209 -18.103
  209    HG2  GLU  27           HG2      GLU  27  -8.710   6.012 -20.521
  210    HG3  GLU  27           HG3      GLU  27  -7.372   4.844 -20.562
  211    H    ARG  28           H        ARG  28  -5.002   5.748 -17.222
  212    HA   ARG  28           HA       ARG  28  -5.766   7.250 -14.874
  213    HB2  ARG  28           HB2      ARG  28  -3.477   5.286 -15.352
  214    HB3  ARG  28           HB3      ARG  28  -3.809   6.074 -13.791
  215    HG2  ARG  28           HG2      ARG  28  -6.190   5.281 -13.993
  216    HG3  ARG  28           HG3      ARG  28  -5.717   4.266 -15.341
  217    HD2  ARG  28           HD2      ARG  28  -4.516   2.789 -13.937
  218    HD3  ARG  28           HD3      ARG  28  -4.378   3.995 -12.641
  219    HE   ARG  28           HE       ARG  28  -7.108   3.210 -13.439
  220   HH11  ARG  28          HH11      ARG  28  -4.644   2.540 -10.934
  221   HH12  ARG  28          HH12      ARG  28  -5.865   2.456  -9.679
  222   HH21  ARG  28          HH21      ARG  28  -8.563   3.089 -11.849
  223   HH22  ARG  28          HH22      ARG  28  -8.119   2.576 -10.230
  224    H    ALA  29           H        ALA  29  -3.067   7.703 -17.183
  225    HA   ALA  29           HA       ALA  29  -1.859   9.865 -15.784
  226    HB1  ALA  29           HB1      ALA  29  -1.019  10.509 -18.018
  227    HB2  ALA  29           HB2      ALA  29  -0.843   8.763 -17.744
  228    HB3  ALA  29           HB3      ALA  29  -2.147   9.367 -18.782
  229    H    MET  30           H        MET  30  -4.633   9.788 -18.133
  230    HA   MET  30           HA       MET  30  -5.031  12.623 -18.013
  231    HB2  MET  30           HB2      MET  30  -6.849  10.360 -18.889
  232    HB3  MET  30           HB3      MET  30  -7.291  12.063 -18.985
  233    HG2  MET  30           HG2      MET  30  -4.933  10.762 -20.400
  234    HG3  MET  30           HG3      MET  30  -6.450  11.270 -21.118
  235    HE1  MET  30           HE1      MET  30  -3.245  12.794 -19.077
  236    HE2  MET  30           HE2      MET  30  -2.865  12.039 -20.634
  237    HE3  MET  30           HE3      MET  30  -2.716  13.797 -20.429
  238    H    GLY  31           H        GLY  31  -6.353   9.989 -15.990
  239    HA2  GLY  31           HA2      GLY  31  -8.273  11.471 -14.564
  240    HA3  GLY  31           HA3      GLY  31  -7.321  10.119 -13.919
  241    H    TRP  32           H        TRP  32  -4.752  11.015 -13.834
  242    HA   TRP  32           HA       TRP  32  -4.608  12.899 -11.701
  243    HB2  TRP  32           HB2      TRP  32  -2.609  11.748 -13.662
  244    HB3  TRP  32           HB3      TRP  32  -2.159  13.077 -12.613
  245    HD1  TRP  32           HD1      TRP  32  -2.539   9.373 -12.565
  246    HE1  TRP  32           HE1      TRP  32  -1.782   8.476 -10.280
  247    HE3  TRP  32           HE3      TRP  32  -2.457  13.779  -9.987
  248    HZ2  TRP  32           HZ2      TRP  32  -1.223   9.575  -7.645
  249    HZ3  TRP  32           HZ3      TRP  32  -1.790  13.837  -7.595
  250    HH2  TRP  32           HH2      TRP  32  -1.149  11.737  -6.428
  251    H    TYR  33           H        TYR  33  -4.093  13.341 -15.252
  252    HA   TYR  33           HA       TYR  33  -3.208  15.982 -15.096
  253    HB2  TYR  33           HB2      TYR  33  -3.042  14.646 -17.147
  254    HB3  TYR  33           HB3      TYR  33  -4.797  14.625 -17.304
  255    HD1  TYR  33           HD2      TYR  33  -1.805  16.825 -17.437
  256    HD2  TYR  33           HD1      TYR  33  -6.031  16.488 -18.183
  257    HE1  TYR  33           HE2      TYR  33  -1.753  18.963 -18.667
  258    HE2  TYR  33           HE1      TYR  33  -6.030  18.692 -19.293
  259    HH   TYR  33           HH       TYR  33  -2.950  20.492 -19.880
  260    H    TYR  34           H        TYR  34  -6.641  14.909 -15.657
  261    HA   TYR  34           HA       TYR  34  -7.456  17.676 -15.774
  262    HB2  TYR  34           HB2      TYR  34  -9.050  15.101 -15.646
  263    HB3  TYR  34           HB3      TYR  34  -9.766  16.700 -15.805
  264    HD1  TYR  34           HD2      TYR  34  -8.679  18.238 -17.762
  265    HD2  TYR  34           HD1      TYR  34  -8.608  13.923 -17.663
  266    HE1  TYR  34           HE2      TYR  34  -8.444  18.196 -20.213
  267    HE2  TYR  34           HE1      TYR  34  -8.332  13.876 -20.129
  268    HH   TYR  34           HH       TYR  34  -8.230  16.869 -22.115
  269    H    TYR  35           H        TYR  35  -7.261  15.277 -13.128
  270    HA   TYR  35           HA       TYR  35  -8.839  16.775 -11.259
  271    HB2  TYR  35           HB2      TYR  35  -8.174  14.416 -10.958
  272    HB3  TYR  35           HB3      TYR  35  -6.483  14.892 -10.845
  273    HD1  TYR  35           HD2      TYR  35  -9.819  15.145  -9.182
  274    HD2  TYR  35           HD1      TYR  35  -5.558  15.665  -8.765
  275    HE1  TYR  35           HE2      TYR  35 -10.101  15.441  -6.746
  276    HE2  TYR  35           HE1      TYR  35  -5.826  15.979  -6.326
  277    HH   TYR  35           HH       TYR  35  -9.037  15.841  -4.707
  278    H    LEU  36           H        LEU  36  -5.321  16.814 -12.085
  279    HA   LEU  36           HA       LEU  36  -4.595  18.847 -10.196
  280    HB2  LEU  36           HB2      LEU  36  -3.374  17.518 -12.605
  281    HB3  LEU  36           HB3      LEU  36  -2.732  19.080 -12.161
  282    HG   LEU  36           HG       LEU  36  -1.938  18.387 -10.084
  283   HD11  LEU  36          HD11      LEU  36  -3.756  17.119  -9.113
  284   HD12  LEU  36          HD12      LEU  36  -3.554  15.823 -10.315
  285   HD13  LEU  36          HD13      LEU  36  -2.301  16.130  -9.087
  286   HD21  LEU  36          HD21      LEU  36  -0.473  16.502 -10.640
  287   HD22  LEU  36          HD22      LEU  36  -1.568  16.006 -11.949
  288   HD23  LEU  36          HD23      LEU  36  -0.681  17.537 -12.067
  289    H    ASP  37           H        ASP  37  -5.492  18.975 -13.697
  290    HA   ASP  37           HA       ASP  37  -5.190  21.773 -13.967
  291    HB2  ASP  37           HB2      ASP  37  -5.453  20.262 -15.879
  292    HB3  ASP  37           HB3      ASP  37  -7.092  19.854 -15.359
  293    H    ASP  38           H        ASP  38  -7.932  19.881 -12.651
  294    HA   ASP  38           HA       ASP  38  -9.689  22.187 -12.457
  295    HB2  ASP  38           HB2      ASP  38 -10.543  19.898 -12.689
  296    HB3  ASP  38           HB3      ASP  38  -9.788  19.437 -11.162
  297    H    THR  39           H        THR  39  -7.090  20.906 -10.475
  298    HA   THR  39           HA       THR  39  -8.230  22.089  -7.987
  299    HB   THR  39           HB       THR  39  -5.860  20.254  -8.533
  300    HG1  THR  39           HG1      THR  39  -7.663  19.156  -8.842
  301   HG21  THR  39          HG21      THR  39  -5.326  21.410  -6.514
  302   HG22  THR  39          HG22      THR  39  -6.986  21.317  -5.921
  303   HG23  THR  39          HG23      THR  39  -5.989  19.846  -6.020
  304    H    LEU  40           H        LEU  40  -5.307  22.319 -10.044
  305    HA   LEU  40           HA       LEU  40  -3.781  23.882  -8.235
  306    HB2  LEU  40           HB2      LEU  40  -3.659  23.410 -11.233
  307    HB3  LEU  40           HB3      LEU  40  -2.416  24.299 -10.372
  308    HG   LEU  40           HG       LEU  40  -3.165  21.435  -9.638
  309   HD11  LEU  40          HD11      LEU  40  -0.949  22.414 -11.510
  310   HD12  LEU  40          HD12      LEU  40  -1.212  20.734 -10.996
  311   HD13  LEU  40          HD13      LEU  40  -2.414  21.546 -12.010
  312   HD21  LEU  40          HD21      LEU  40  -0.893  21.348  -8.713
  313   HD22  LEU  40          HD22      LEU  40  -0.705  23.085  -9.013
  314   HD23  LEU  40          HD23      LEU  40  -1.943  22.486  -7.875
  315    H    GLU  41           H        GLU  41  -4.011  25.962  -7.683
  316    HA   GLU  41           HA       GLU  41  -5.714  27.798  -9.156
  317    HB2  GLU  41           HB2      GLU  41  -4.022  28.030  -6.629
  318    HB3  GLU  41           HB3      GLU  41  -5.031  29.339  -7.242
  319    HG2  GLU  41           HG2      GLU  41  -6.132  26.607  -6.470
  320    HG3  GLU  41           HG3      GLU  41  -6.062  27.997  -5.401
  321    H    PHE  42           H        PHE  42  -3.805  27.122 -10.966
  322    HA   PHE  42           HA       PHE  42  -1.493  28.855 -10.947
  323    HB2  PHE  42           HB2      PHE  42  -1.259  28.178 -13.309
  324    HB3  PHE  42           HB3      PHE  42  -1.404  26.835 -12.203
  325    HD1  PHE  42           HD1      PHE  42  -3.357  28.911 -14.665
  326    HD2  PHE  42           HD2      PHE  42  -2.979  25.133 -12.625
  327    HE1  PHE  42           HE1      PHE  42  -5.127  27.950 -16.110
  328    HE2  PHE  42           HE2      PHE  42  -4.759  24.177 -14.068
  329    HZ   PHE  42           HZ       PHE  42  -5.833  25.582 -15.814
  330    HA   PRO  43           HA       PRO  43  -0.274  30.047 -12.872
  331    HB2  PRO  43           HB2      PRO  43   0.624  32.620 -12.902
  332    HB3  PRO  43           HB3      PRO  43  -0.172  31.859 -14.310
  333    HG2  PRO  43           HG2      PRO  43  -1.433  33.669 -12.238
  334    HG3  PRO  43           HG3      PRO  43  -1.550  33.773 -14.025
  335    HD2  PRO  43           HD2      PRO  43  -3.478  32.567 -12.519
  336    HD3  PRO  43           HD3      PRO  43  -3.025  31.931 -14.126
  337    H    PHE  44           H        PHE  44   1.483  30.066 -11.353
  338    HA   PHE  44           HA       PHE  44   1.233  31.595  -8.881
  339    HB2  PHE  44           HB2      PHE  44   1.354  29.735  -7.365
  340    HB3  PHE  44           HB3      PHE  44  -0.165  29.749  -8.228
  341    HD1  PHE  44           HD1      PHE  44   3.208  28.075  -8.237
  342    HD2  PHE  44           HD2      PHE  44  -0.969  27.729  -9.149
  343    HE1  PHE  44           HE1      PHE  44   3.537  25.685  -8.705
  344    HE2  PHE  44           HE2      PHE  44  -0.635  25.346  -9.713
  345    HZ   PHE  44           HZ       PHE  44   1.613  24.305  -9.501
  346    H    MET  45           H        MET  45   3.242  31.137  -7.460
  347    HA   MET  45           HA       MET  45   5.564  30.985  -9.285
  348    HB2  MET  45           HB2      MET  45   5.290  32.873  -7.665
  349    HB3  MET  45           HB3      MET  45   5.217  31.718  -6.326
  350    HG2  MET  45           HG2      MET  45   7.551  30.999  -6.884
  351    HG3  MET  45           HG3      MET  45   7.599  32.254  -8.125
  352    HE1  MET  45           HE1      MET  45   9.774  33.318  -7.067
  353    HE2  MET  45           HE2      MET  45  10.004  33.474  -5.309
  354    HE3  MET  45           HE3      MET  45   9.714  31.871  -6.039
  355    H    GLY  46           H        GLY  46   7.241  29.375  -9.050
  356    HA2  GLY  46           HA2      GLY  46   7.144  27.614  -6.714
  357    HA3  GLY  46           HA3      GLY  46   6.875  26.819  -8.275
  358    H    LYS  47           H        LYS  47   8.974  26.054  -6.847
  359    HA   LYS  47           HA       LYS  47  11.332  27.296  -8.216
  360    HB2  LYS  47           HB2      LYS  47  11.375  26.788  -5.630
  361    HB3  LYS  47           HB3      LYS  47  11.438  25.101  -6.100
  362    HG2  LYS  47           HG2      LYS  47  13.700  25.701  -5.810
  363    HG3  LYS  47           HG3      LYS  47  13.477  25.726  -7.557
  364    HD2  LYS  47           HD2      LYS  47  14.764  27.651  -6.990
  365    HD3  LYS  47           HD3      LYS  47  13.155  28.247  -7.399
  366    HE2  LYS  47           HE2      LYS  47  12.581  28.546  -5.064
  367    HE3  LYS  47           HE3      LYS  47  14.053  27.720  -4.536
  368    HZ1  LYS  47           HZ1      LYS  47  14.091  30.255  -6.081
  369    HZ2  LYS  47           HZ2      LYS  47  14.185  30.179  -4.441
  370    HZ3  LYS  47           HZ3      LYS  47  15.358  29.525  -5.361
  371    H    TRP  48           H        TRP  48  12.041  26.250 -10.003
  372    HA   TRP  48           HA       TRP  48  10.999  23.556 -10.687
  373    HB2  TRP  48           HB2      TRP  48  11.096  25.376 -12.422
  374    HB3  TRP  48           HB3      TRP  48  12.837  25.440 -12.231
  375    HD1  TRP  48           HD1      TRP  48  12.052  21.885 -12.107
  376    HE1  TRP  48           HE1      TRP  48  12.287  20.735 -14.334
  377    HE3  TRP  48           HE3      TRP  48  12.135  26.030 -15.110
  378    HZ2  TRP  48           HZ2      TRP  48  12.474  21.498 -17.144
  379    HZ3  TRP  48           HZ3      TRP  48  12.276  25.780 -17.573
  380    HH2  TRP  48           HH2      TRP  48  12.452  23.521 -18.597
  381    H    LYS  49           H        LYS  49  12.058  22.070  -9.460
  382    HA   LYS  49           HA       LYS  49  14.882  22.370  -8.676
  383    HB2  LYS  49           HB2      LYS  49  12.610  20.516  -7.799
  384    HB3  LYS  49           HB3      LYS  49  14.252  20.456  -7.168
  385    HG2  LYS  49           HG2      LYS  49  13.999  22.780  -6.282
  386    HG3  LYS  49           HG3      LYS  49  12.365  22.847  -6.944
  387    HD2  LYS  49           HD2      LYS  49  12.062  22.346  -4.657
  388    HD3  LYS  49           HD3      LYS  49  11.756  20.856  -5.542
  389    HE2  LYS  49           HE2      LYS  49  13.017  20.139  -3.723
  390    HE3  LYS  49           HE3      LYS  49  14.204  20.212  -5.025
  391    HZ1  LYS  49           HZ1      LYS  49  13.813  22.241  -2.894
  392    HZ2  LYS  49           HZ2      LYS  49  15.065  21.211  -3.015
  393    HZ3  LYS  49           HZ3      LYS  49  14.898  22.418  -4.108
  394    H    LYS  50           H        LYS  50  15.213  22.159 -11.038
  395    HA   LYS  50           HA       LYS  50  14.324  19.810 -12.489
  396    HB2  LYS  50           HB2      LYS  50  14.988  22.099 -13.468
  397    HB3  LYS  50           HB3      LYS  50  16.672  21.605 -13.236
  398    HG2  LYS  50           HG2      LYS  50  16.248  19.596 -14.667
  399    HG3  LYS  50           HG3      LYS  50  14.569  20.103 -14.875
  400    HD2  LYS  50           HD2      LYS  50  15.327  22.177 -16.000
  401    HD3  LYS  50           HD3      LYS  50  17.022  21.679 -15.774
  402    HE2  LYS  50           HE2      LYS  50  16.591  19.616 -17.090
  403    HE3  LYS  50           HE3      LYS  50  14.907  20.100 -17.318
  404    HZ1  LYS  50           HZ1      LYS  50  17.256  21.593 -18.342
  405    HZ2  LYS  50           HZ2      LYS  50  16.269  20.653 -19.233
  406    HZ3  LYS  50           HZ3      LYS  50  15.691  22.022 -18.571
  407    H    LYS  51           H        LYS  51  15.259  17.731 -12.508
  408    HA   LYS  51           HA       LYS  51  17.554  17.097 -10.956
  409    HB2  LYS  51           HB2      LYS  51  16.323  15.739 -13.381
  410    HB3  LYS  51           HB3      LYS  51  17.712  15.072 -12.507
  411    HG2  LYS  51           HG2      LYS  51  16.446  15.024 -10.406
  412    HG3  LYS  51           HG3      LYS  51  15.023  15.704 -11.203
  413    HD2  LYS  51           HD2      LYS  51  16.315  13.031 -11.905
  414    HD3  LYS  51           HD3      LYS  51  14.908  13.241 -10.850
  415    HE2  LYS  51           HE2      LYS  51  13.654  14.297 -12.720
  416    HE3  LYS  51           HE3      LYS  51  15.040  14.050 -13.790
  417    HZ1  LYS  51           HZ1      LYS  51  13.412  12.294 -14.054
  418    HZ2  LYS  51           HZ2      LYS  51  14.787  11.657 -13.459
  419    HZ3  LYS  51           HZ3      LYS  51  13.498  11.885 -12.480
  420    H    SER  52           H        SER  52  19.746  16.983 -11.396
  421    HA   SER  52           HA       SER  52  20.822  18.975 -13.007
  422    HB2  SER  52           HB2      SER  52  22.136  16.460 -11.916
  423    HB3  SER  52           HB3      SER  52  22.995  17.913 -12.450
  424    HG   SER  52           HG       SER  52  22.480  17.627 -10.143
  425    H    ARG  53           H        ARG  53  22.532  18.709 -14.650
  426    HA   ARG  53           HA       ARG  53  21.469  17.916 -17.054
  427    HB2  ARG  53           HB2      ARG  53  23.264  19.575 -16.676
  428    HB3  ARG  53           HB3      ARG  53  24.390  18.291 -16.261
  429    HG2  ARG  53           HG2      ARG  53  24.809  19.106 -18.520
  430    HG3  ARG  53           HG3      ARG  53  24.339  17.416 -18.546
  431    HD2  ARG  53           HD2      ARG  53  23.289  18.572 -20.384
  432    HD3  ARG  53           HD3      ARG  53  22.034  18.069 -19.246
  433    HE   ARG  53           HE       ARG  53  22.852  20.709 -18.586
  434   HH11  ARG  53          HH11      ARG  53  21.147  19.038 -21.212
  435   HH12  ARG  53          HH12      ARG  53  20.240  20.420 -21.698
  436   HH21  ARG  53          HH21      ARG  53  21.635  22.555 -19.223
  437   HH22  ARG  53          HH22      ARG  53  20.531  22.466 -20.541
  438    H    LYS  54           H        LYS  54  23.392  15.855 -14.890
  439    HA   LYS  54           HA       LYS  54  22.643  13.570 -16.572
  440    HB2  LYS  54           HB2      LYS  54  24.898  14.325 -17.420
  441    HB3  LYS  54           HB3      LYS  54  25.558  14.085 -15.812
  442    HG2  LYS  54           HG2      LYS  54  26.115  12.217 -17.282
  443    HG3  LYS  54           HG3      LYS  54  25.136  11.680 -15.930
  444    HD2  LYS  54           HD2      LYS  54  24.474  10.572 -18.029
  445    HD3  LYS  54           HD3      LYS  54  23.156  11.496 -17.339
  446    HE2  LYS  54           HE2      LYS  54  23.122  11.836 -19.707
  447    HE3  LYS  54           HE3      LYS  54  23.614  13.354 -18.959
  448    HZ1  LYS  54           HZ1      LYS  54  25.445  11.391 -20.230
  449    HZ2  LYS  54           HZ2      LYS  54  24.970  12.800 -20.887
  450    HZ3  LYS  54           HZ3      LYS  54  25.917  12.810 -19.564
  451    H    THR  55           H        THR  55  24.286  14.711 -13.549
  452    HA   THR  55           HA       THR  55  24.025  12.235 -12.171
  453    HB   THR  55           HB       THR  55  24.428  13.887 -10.184
  454    HG1  THR  55           HG1      THR  55  24.139  15.863 -10.753
  455   HG21  THR  55          HG21      THR  55  26.231  12.568 -11.247
  456   HG22  THR  55          HG22      THR  55  26.412  13.806 -12.509
  457   HG23  THR  55          HG23      THR  55  26.788  14.191 -10.814
  458    H    SER  56           H        SER  56  22.668  11.847 -10.263
  459    HA   SER  56           HA       SER  56  19.887  12.453 -10.695
  460    HB2  SER  56           HB2      SER  56  21.221  11.123  -8.304
  461    HB3  SER  56           HB3      SER  56  19.545  10.933  -8.849
  462    HG   SER  56           HG       SER  56  20.881   9.184  -9.496
  463    H    THR  57           H        THR  57  22.119  14.566  -9.533
  464    HA   THR  57           HA       THR  57  20.896  15.481  -7.080
  465    HB   THR  57           HB       THR  57  22.597  17.375  -7.536
  466    HG1  THR  57           HG1      THR  57  24.175  16.861  -9.042
  467   HG21  THR  57          HG21      THR  57  23.030  15.462  -6.012
  468   HG22  THR  57          HG22      THR  57  23.630  14.505  -7.386
  469   HG23  THR  57          HG23      THR  57  24.491  15.971  -6.871
  470    H    ILE  58           H        ILE  58  20.763  18.219  -7.368
  471    HA   ILE  58           HA       ILE  58  18.472  18.659  -9.237
  472    HB   ILE  58           HB       ILE  58  18.668  19.205  -6.258
  473   HG12  ILE  58          HG12      ILE  58  18.028  16.863  -6.797
  474   HG13  ILE  58          HG13      ILE  58  16.801  17.754  -5.923
  475   HG21  ILE  58          HG21      ILE  58  16.506  20.091  -8.195
  476   HG22  ILE  58          HG22      ILE  58  16.367  20.142  -6.417
  477   HG23  ILE  58          HG23      ILE  58  17.580  21.119  -7.238
  478   HD11  ILE  58          HD11      ILE  58  16.715  17.267  -8.928
  479   HD12  ILE  58          HD12      ILE  58  15.884  16.290  -7.709
  480   HD13  ILE  58          HD13      ILE  58  15.436  17.986  -7.924
  481    H    GLU  59           H        GLU  59  18.469  20.574 -10.139
  482    HA   GLU  59           HA       GLU  59  20.367  22.732  -9.356
  483    HB2  GLU  59           HB2      GLU  59  19.248  21.892 -12.082
  484    HB3  GLU  59           HB3      GLU  59  20.020  23.446 -11.794
  485    HG2  GLU  59           HG2      GLU  59  21.427  20.774 -11.357
  486    HG3  GLU  59           HG3      GLU  59  21.467  21.655 -12.872
  487    H    GLU  60           H        GLU  60  19.219  24.851  -9.343
  488    HA   GLU  60           HA       GLU  60  16.253  24.513  -9.167
  489    HB2  GLU  60           HB2      GLU  60  18.093  25.866  -7.169
  490    HB3  GLU  60           HB3      GLU  60  16.322  25.934  -7.158
  491    HG2  GLU  60           HG2      GLU  60  16.266  23.430  -7.049
  492    HG3  GLU  60           HG3      GLU  60  18.024  23.429  -6.856
  493    H    LYS  61           H        LYS  61  15.082  25.968 -10.217
  494    HA   LYS  61           HA       LYS  61  16.238  28.692 -10.701
  495    HB2  LYS  61           HB2      LYS  61  14.601  26.963 -12.616
  496    HB3  LYS  61           HB3      LYS  61  14.966  28.675 -12.860
  497    HG2  LYS  61           HG2      LYS  61  17.400  28.153 -12.865
  498    HG3  LYS  61           HG3      LYS  61  17.030  26.428 -12.721
  499    HD2  LYS  61           HD2      LYS  61  16.157  28.234 -15.019
  500    HD3  LYS  61           HD3      LYS  61  17.541  27.130 -15.047
  501    HE2  LYS  61           HE2      LYS  61  16.014  25.199 -14.659
  502    HE3  LYS  61           HE3      LYS  61  14.628  26.296 -14.666
  503    HZ1  LYS  61           HZ1      LYS  61  16.445  25.823 -16.960
  504    HZ2  LYS  61           HZ2      LYS  61  14.911  25.276 -16.819
  505    HZ3  LYS  61           HZ3      LYS  61  15.195  26.876 -16.967
  506    H    THR  62           H        THR  62  14.639  30.324 -10.551
  507    HA   THR  62           HA       THR  62  12.232  29.492  -9.003
  508    HB   THR  62           HB       THR  62  13.486  32.255  -9.292
  509    HG1  THR  62           HG1      THR  62  14.997  31.039  -8.271
  510   HG21  THR  62          HG21      THR  62  11.158  32.220  -8.483
  511   HG22  THR  62          HG22      THR  62  11.595  31.032  -7.233
  512   HG23  THR  62          HG23      THR  62  12.277  32.678  -7.186
  513    H    VAL  63           H        VAL  63  10.231  29.624  -9.987
  514    HA   VAL  63           HA       VAL  63  10.101  31.043 -12.595
  515    HB   VAL  63           HB       VAL  63   9.126  29.105 -13.660
  516   HG11  VAL  63          HG11      VAL  63  11.603  29.419 -13.781
  517   HG12  VAL  63          HG12      VAL  63  11.788  28.265 -12.445
  518   HG13  VAL  63          HG13      VAL  63  11.075  27.747 -13.984
  519   HG21  VAL  63          HG21      VAL  63   8.159  27.928 -11.688
  520   HG22  VAL  63          HG22      VAL  63   9.142  26.871 -12.702
  521   HG23  VAL  63          HG23      VAL  63   9.797  27.479 -11.168
  522    H    GLU  64           H        GLU  64   8.040  31.431 -13.361
  523    HA   GLU  64           HA       GLU  64   5.805  31.302 -11.378
  524    HB2  GLU  64           HB2      GLU  64   6.392  33.597 -12.145
  525    HB3  GLU  64           HB3      GLU  64   6.160  33.098 -13.823
  526    HG2  GLU  64           HG2      GLU  64   3.788  32.614 -13.390
  527    HG3  GLU  64           HG3      GLU  64   4.007  32.913 -11.665
  528    H    VAL  65           H        VAL  65   4.495  29.602 -11.814
  529    HA   VAL  65           HA       VAL  65   4.589  28.259 -14.418
  530    HB   VAL  65           HB       VAL  65   3.360  26.568 -13.600
  531   HG11  VAL  65          HG11      VAL  65   5.507  26.758 -12.299
  532   HG12  VAL  65          HG12      VAL  65   4.583  27.492 -10.972
  533   HG13  VAL  65          HG13      VAL  65   4.241  25.830 -11.482
  534   HG21  VAL  65          HG21      VAL  65   1.863  26.470 -11.719
  535   HG22  VAL  65          HG22      VAL  65   2.129  28.189 -11.387
  536   HG23  VAL  65          HG23      VAL  65   1.334  27.659 -12.894
  537    H    LEU  66           H        LEU  66   2.941  28.323 -15.948
  538    HA   LEU  66           HA       LEU  66   1.060  30.644 -15.633
  539    HB2  LEU  66           HB2      LEU  66   1.964  29.215 -18.162
  540    HB3  LEU  66           HB3      LEU  66   0.847  30.557 -18.064
  541    HG   LEU  66           HG       LEU  66   2.793  31.544 -18.778
  542   HD11  LEU  66          HD11      LEU  66   3.545  33.062 -17.050
  543   HD12  LEU  66          HD12      LEU  66   1.811  32.771 -16.836
  544   HD13  LEU  66          HD13      LEU  66   2.991  31.975 -15.766
  545   HD21  LEU  66          HD21      LEU  66   4.454  30.153 -16.654
  546   HD22  LEU  66          HD22      LEU  66   4.325  29.640 -18.352
  547   HD23  LEU  66          HD23      LEU  66   5.020  31.217 -17.942
  548    H    GLY  67           H        GLY  67   1.194  27.128 -15.989
  549    HA2  GLY  67           HA2      GLY  67  -1.293  26.492 -15.157
  550    HA3  GLY  67           HA3      GLY  67  -1.525  26.809 -16.889
  551    H    MET  68           H        MET  68  -2.042  24.365 -16.268
  552    HA   MET  68           HA       MET  68   0.155  22.472 -16.375
  553    HB2  MET  68           HB2      MET  68  -2.780  22.276 -17.195
  554    HB3  MET  68           HB3      MET  68  -1.656  20.925 -17.275
  555    HG2  MET  68           HG2      MET  68  -2.307  22.433 -14.719
  556    HG3  MET  68           HG3      MET  68  -3.123  20.965 -15.236
  557    HE1  MET  68           HE1      MET  68  -0.896  18.945 -16.273
  558    HE2  MET  68           HE2      MET  68  -0.586  18.133 -14.726
  559    HE3  MET  68           HE3      MET  68  -2.243  18.613 -15.155
  560    H    ALA  69           H        ALA  69   0.942  21.361 -18.172
  561    HA   ALA  69           HA       ALA  69   1.145  22.809 -20.689
  562    HB1  ALA  69           HB1      ALA  69   1.832  19.926 -19.991
  563    HB2  ALA  69           HB2      ALA  69   2.467  20.849 -21.359
  564    HB3  ALA  69           HB3      ALA  69   2.927  21.306 -19.716
  565    HA   PRO  70           HA       PRO  70  -2.336  20.951 -22.882
  566    HB2  PRO  70           HB2      PRO  70  -0.361  19.597 -24.724
  567    HB3  PRO  70           HB3      PRO  70  -1.850  20.501 -25.137
  568    HG2  PRO  70           HG2      PRO  70   0.582  21.678 -25.409
  569    HG3  PRO  70           HG3      PRO  70  -0.785  22.600 -24.700
  570    HD2  PRO  70           HD2      PRO  70   1.484  21.205 -23.276
  571    HD3  PRO  70           HD3      PRO  70   0.787  22.824 -22.961
  572    H    ASP  71           H        ASP  71  -3.499  19.001 -22.843
  573    HA   ASP  71           HA       ASP  71  -2.676  16.970 -21.068
  574    HB2  ASP  71           HB2      ASP  71  -4.667  15.867 -21.569
  575    HB3  ASP  71           HB3      ASP  71  -5.057  17.566 -21.770
  576    H    ASP  72           H        ASP  72  -2.274  17.276 -24.572
  577    HA   ASP  72           HA       ASP  72  -1.588  14.595 -25.163
  578    HB2  ASP  72           HB2      ASP  72  -2.207  16.283 -26.849
  579    HB3  ASP  72           HB3      ASP  72  -0.715  17.170 -26.520
  580    H    GLU  73           H        GLU  73   0.291  17.143 -23.636
  581    HA   GLU  73           HA       GLU  73   2.889  15.803 -24.069
  582    HB2  GLU  73           HB2      GLU  73   2.083  18.140 -22.271
  583    HB3  GLU  73           HB3      GLU  73   3.720  17.559 -22.504
  584    HG2  GLU  73           HG2      GLU  73   1.945  18.793 -24.652
  585    HG3  GLU  73           HG3      GLU  73   3.271  19.584 -23.813
  586    H    CYS  74           H        CYS  74   0.202  15.763 -21.808
  587    HA   CYS  74           HA       CYS  74   1.893  14.803 -19.617
  588    HB2  CYS  74           HB2      CYS  74  -1.016  15.672 -19.644
  589    HB3  CYS  74           HB3      CYS  74  -0.056  15.255 -18.211
  590    HG   CYS  74           HG       CYS  74   0.342  17.701 -20.408
  591    H    LEU  75           H        LEU  75   1.349  12.990 -21.865
  592    HA   LEU  75           HA       LEU  75  -0.706  11.135 -21.011
  593    HB2  LEU  75           HB2      LEU  75   1.070  11.499 -23.346
  594    HB3  LEU  75           HB3      LEU  75   1.005   9.825 -22.860
  595    HG   LEU  75           HG       LEU  75  -0.617  10.242 -24.538
  596   HD11  LEU  75          HD11      LEU  75  -1.172   8.605 -22.724
  597   HD12  LEU  75          HD12      LEU  75  -2.170   9.849 -21.943
  598   HD13  LEU  75          HD13      LEU  75  -2.584   9.270 -23.563
  599   HD21  LEU  75          HD21      LEU  75  -1.927  12.287 -22.702
  600   HD22  LEU  75          HD22      LEU  75  -1.017  12.627 -24.179
  601   HD23  LEU  75          HD23      LEU  75  -2.543  11.734 -24.273
  602    H    LYS  76           H        LYS  76   2.623  11.528 -20.203
  603    HA   LYS  76           HA       LYS  76   2.716   8.777 -19.042
  604    HB2  LYS  76           HB2      LYS  76   4.946  10.299 -20.440
  605    HB3  LYS  76           HB3      LYS  76   5.120   8.738 -19.631
  606    HG2  LYS  76           HG2      LYS  76   3.455   7.741 -21.204
  607    HG3  LYS  76           HG3      LYS  76   3.374   9.289 -22.070
  608    HD2  LYS  76           HD2      LYS  76   5.801   9.150 -22.558
  609    HD3  LYS  76           HD3      LYS  76   5.880   7.590 -21.708
  610    HE2  LYS  76           HE2      LYS  76   4.227   6.643 -23.307
  611    HE3  LYS  76           HE3      LYS  76   4.152   8.194 -24.153
  612    HZ1  LYS  76           HZ1      LYS  76   5.644   6.656 -25.257
  613    HZ2  LYS  76           HZ2      LYS  76   6.500   7.928 -24.710
  614    HZ3  LYS  76           HZ3      LYS  76   6.569   6.493 -23.928
  615    H    ASP  77           H        ASP  77   3.041  12.107 -18.335
  616    HA   ASP  77           HA       ASP  77   3.892  11.799 -15.608
  617    HB2  ASP  77           HB2      ASP  77   6.087  11.527 -16.669
  618    HB3  ASP  77           HB3      ASP  77   5.787  12.893 -17.727
  619    H    MET  78           H        MET  78   3.885  14.166 -14.728
  620    HA   MET  78           HA       MET  78   1.718  15.648 -16.181
  621    HB2  MET  78           HB2      MET  78   2.715  15.747 -13.305
  622    HB3  MET  78           HB3      MET  78   1.519  16.865 -13.973
  623    HG2  MET  78           HG2      MET  78   1.204  13.845 -13.785
  624    HG3  MET  78           HG3      MET  78   0.501  15.024 -12.695
  625    HE1  MET  78           HE1      MET  78  -0.345  12.627 -15.259
  626    HE2  MET  78           HE2      MET  78  -1.219  13.447 -16.567
  627    HE3  MET  78           HE3      MET  78   0.530  13.659 -16.415
  628    H    TYR  79           H        TYR  79   2.039  17.855 -16.783
  629    HA   TYR  79           HA       TYR  79   4.710  19.027 -16.277
  630    HB2  TYR  79           HB2      TYR  79   3.422  18.711 -19.014
  631    HB3  TYR  79           HB3      TYR  79   4.855  19.655 -18.678
  632    HD1  TYR  79           HD2      TYR  79   3.470  16.234 -18.927
  633    HD2  TYR  79           HD1      TYR  79   7.045  18.609 -18.550
  634    HE1  TYR  79           HE2      TYR  79   4.823  14.253 -19.475
  635    HE2  TYR  79           HE1      TYR  79   8.422  16.626 -19.107
  636    HH   TYR  79           HH       TYR  79   6.965  13.388 -19.745
  637    H    VAL  80           H        VAL  80   4.829  21.254 -16.687
  638    HA   VAL  80           HA       VAL  80   2.293  22.789 -16.802
  639    HB   VAL  80           HB       VAL  80   3.383  24.211 -14.923
  640   HG11  VAL  80          HG11      VAL  80   2.147  21.509 -14.274
  641   HG12  VAL  80          HG12      VAL  80   2.281  22.891 -13.158
  642   HG13  VAL  80          HG13      VAL  80   1.295  23.033 -14.610
  643   HG21  VAL  80          HG21      VAL  80   4.741  23.067 -13.272
  644   HG22  VAL  80          HG22      VAL  80   4.730  21.561 -14.212
  645   HG23  VAL  80          HG23      VAL  80   5.571  22.996 -14.833
  646    H    GLU  81           H        GLU  81   2.544  24.836 -17.625
  647    HA   GLU  81           HA       GLU  81   5.013  25.370 -19.182
  648    HB2  GLU  81           HB2      GLU  81   2.371  26.883 -18.921
  649    HB3  GLU  81           HB3      GLU  81   3.753  27.409 -19.898
  650    HG2  GLU  81           HG2      GLU  81   3.606  25.247 -21.181
  651    HG3  GLU  81           HG3      GLU  81   2.132  24.859 -20.292
  652    H    VAL  82           H        VAL  82   6.515  26.913 -18.473
  653    HA   VAL  82           HA       VAL  82   5.908  28.465 -16.029
  654    HB   VAL  82           HB       VAL  82   7.861  27.734 -14.873
  655   HG11  VAL  82          HG11      VAL  82   5.800  26.335 -14.588
  656   HG12  VAL  82          HG12      VAL  82   6.474  25.180 -15.748
  657   HG13  VAL  82          HG13      VAL  82   7.312  25.496 -14.219
  658   HG21  VAL  82          HG21      VAL  82   8.464  25.822 -17.168
  659   HG22  VAL  82          HG22      VAL  82   9.423  27.246 -16.694
  660   HG23  VAL  82          HG23      VAL  82   9.303  25.870 -15.603
  661    H    ALA  83           H        ALA  83   7.282  30.314 -15.730
  662    HA   ALA  83           HA       ALA  83   9.120  30.963 -18.001
  663    HB1  ALA  83           HB1      ALA  83   8.372  33.320 -17.775
  664    HB2  ALA  83           HB2      ALA  83   7.069  32.255 -18.324
  665    HB3  ALA  83           HB3      ALA  83   7.114  32.806 -16.630
  666    H    ASP  84           H        ASP  84  11.006  31.990 -17.357
  667    HA   ASP  84           HA       ASP  84  11.846  31.398 -14.635
  668    HB2  ASP  84           HB2      ASP  84  13.414  31.092 -16.477
  669    HB3  ASP  84           HB3      ASP  84  13.214  32.784 -16.969
  670    H    ILE  85           H        ILE  85  11.781  32.706 -12.898
  671    HA   ILE  85           HA       ILE  85  11.006  35.536 -13.208
  672    HB   ILE  85           HB       ILE  85  11.475  33.835 -10.743
  673   HG12  ILE  85          HG12      ILE  85   8.857  34.786 -12.018
  674   HG13  ILE  85          HG13      ILE  85   9.488  33.153 -12.129
  675   HG21  ILE  85          HG21      ILE  85  11.787  36.279 -10.273
  676   HG22  ILE  85          HG22      ILE  85  10.163  36.578 -10.947
  677   HG23  ILE  85          HG23      ILE  85  10.387  35.627  -9.463
  678   HD11  ILE  85          HD11      ILE  85   9.354  32.945  -9.634
  679   HD12  ILE  85          HD12      ILE  85   8.526  34.524  -9.586
  680   HD13  ILE  85          HD13      ILE  85   7.789  33.173 -10.423
  681    H    GLY  86           H        GLY  86  13.909  33.568 -12.833
  682    HA2  GLY  86           HA2      GLY  86  15.598  35.244 -11.355
  683    HA3  GLY  86           HA3      GLY  86  16.096  34.073 -12.588
  684    H    GLY  87           H        GLY  87  15.052  35.167 -14.921
  685    HA2  GLY  87           HA2      GLY  87  15.321  38.016 -15.167
  686    HA3  GLY  87           HA3      GLY  87  16.817  37.200 -15.667
  687    H    LYS  88           H        LYS  88  15.281  34.804 -16.732
  688    HA   LYS  88           HA       LYS  88  14.938  35.963 -19.407
  689    HB2  LYS  88           HB2      LYS  88  14.965  33.069 -18.457
  690    HB3  LYS  88           HB3      LYS  88  14.936  33.618 -20.142
  691    HG2  LYS  88           HG2      LYS  88  17.107  34.755 -19.837
  692    HG3  LYS  88           HG3      LYS  88  17.174  34.198 -18.153
  693    HD2  LYS  88           HD2      LYS  88  17.140  31.849 -18.908
  694    HD3  LYS  88           HD3      LYS  88  17.066  32.388 -20.602
  695    HE2  LYS  88           HE2      LYS  88  19.236  33.572 -20.311
  696    HE3  LYS  88           HE3      LYS  88  19.311  33.026 -18.632
  697    HZ1  LYS  88           HZ1      LYS  88  19.406  30.741 -19.449
  698    HZ2  LYS  88           HZ2      LYS  88  19.334  31.247 -21.003
  699    HZ3  LYS  88           HZ3      LYS  88  20.624  31.617 -20.081
  700    H    ASP  89           H        ASP  89  12.926  36.788 -17.641
  701    HA   ASP  89           HA       ASP  89  10.489  35.312 -17.753
  702    HB2  ASP  89           HB2      ASP  89  10.889  37.150 -16.180
  703    HB3  ASP  89           HB3      ASP  89  11.065  38.290 -17.513
  704    H    ASP  90           H        ASP  90  12.167  37.212 -20.132
  705    HA   ASP  90           HA       ASP  90  10.059  37.897 -21.908
  706    HB2  ASP  90           HB2      ASP  90  12.331  38.875 -21.916
  707    HB3  ASP  90           HB3      ASP  90  13.003  37.325 -22.423
  708    H    ASP  91           H        ASP  91  11.187  34.743 -21.085
  709    HA   ASP  91           HA       ASP  91   9.988  33.595 -23.536
  710    HB2  ASP  91           HB2      ASP  91  12.496  33.695 -23.764
  711    HB3  ASP  91           HB3      ASP  91  12.619  32.671 -22.332
  712    H    VAL  92           H        VAL  92   9.585  31.215 -23.197
  713    HA   VAL  92           HA       VAL  92   8.725  30.614 -20.419
  714    HB   VAL  92           HB       VAL  92   6.874  30.354 -22.804
  715   HG11  VAL  92          HG11      VAL  92   6.273  28.933 -20.889
  716   HG12  VAL  92          HG12      VAL  92   6.321  30.349 -19.815
  717   HG13  VAL  92          HG13      VAL  92   5.093  30.222 -21.090
  718   HG21  VAL  92          HG21      VAL  92   5.618  32.343 -21.939
  719   HG22  VAL  92          HG22      VAL  92   6.958  32.668 -20.818
  720   HG23  VAL  92          HG23      VAL  92   7.199  32.768 -22.578
  721    H    TYR  93           H        TYR  93   8.338  28.405 -20.112
  722    HA   TYR  93           HA       TYR  93   9.604  26.489 -22.000
  723    HB2  TYR  93           HB2      TYR  93  10.164  26.695 -19.015
  724    HB3  TYR  93           HB3      TYR  93  11.009  25.705 -20.190
  725    HD1  TYR  93           HD1      TYR  93  12.681  26.723 -21.738
  726    HD2  TYR  93           HD2      TYR  93  10.650  29.069 -18.739
  727    HE1  TYR  93           HE1      TYR  93  14.330  28.548 -22.051
  728    HE2  TYR  93           HE2      TYR  93  12.273  30.913 -19.071
  729    HH   TYR  93           HH       TYR  93  14.130  31.640 -20.236
  730    H    THR  94           H        THR  94   9.455  24.263 -20.774
  731    HA   THR  94           HA       THR  94   6.863  23.934 -19.340
  732    HB   THR  94           HB       THR  94   7.848  21.958 -21.427
  733    HG1  THR  94           HG1      THR  94   7.233  23.868 -22.461
  734   HG21  THR  94          HG21      THR  94   5.547  21.079 -21.263
  735   HG22  THR  94          HG22      THR  94   6.370  21.028 -19.697
  736   HG23  THR  94          HG23      THR  94   5.164  22.294 -20.021
  737    H    ALA  95           H        ALA  95   7.075  22.719 -17.561
  738    HA   ALA  95           HA       ALA  95   9.654  21.307 -17.026
  739    HB1  ALA  95           HB1      ALA  95   9.386  22.052 -14.669
  740    HB2  ALA  95           HB2      ALA  95   9.557  23.440 -15.765
  741    HB3  ALA  95           HB3      ALA  95   7.960  23.001 -15.123
  742    H    LYS  96           H        LYS  96   9.359  19.365 -15.825
  743    HA   LYS  96           HA       LYS  96   6.668  18.183 -15.958
  744    HB2  LYS  96           HB2      LYS  96   7.675  16.231 -14.894
  745    HB3  LYS  96           HB3      LYS  96   8.291  16.658 -16.481
  746    HG2  LYS  96           HG2      LYS  96  10.322  17.697 -15.321
  747    HG3  LYS  96           HG3      LYS  96   9.676  17.028 -13.811
  748    HD2  LYS  96           HD2      LYS  96  11.343  15.523 -14.697
  749    HD3  LYS  96           HD3      LYS  96   9.751  14.762 -14.784
  750    HE2  LYS  96           HE2      LYS  96  10.313  16.232 -17.246
  751    HE3  LYS  96           HE3      LYS  96  11.671  15.169 -16.886
  752    HZ1  LYS  96           HZ1      LYS  96  10.231  13.301 -16.908
  753    HZ2  LYS  96           HZ2      LYS  96   8.868  14.202 -16.910
  754    HZ3  LYS  96           HZ3      LYS  96   9.835  14.158 -18.242
  755    H    LEU  97           H        LEU  97   5.322  18.008 -14.236
  756    HA   LEU  97           HA       LEU  97   5.624  19.788 -12.008
  757    HB2  LEU  97           HB2      LEU  97   3.444  18.806 -13.019
  758    HB3  LEU  97           HB3      LEU  97   3.826  17.347 -12.100
  759    HG   LEU  97           HG       LEU  97   3.806  18.743  -9.981
  760   HD11  LEU  97          HD11      LEU  97   2.607  20.990 -10.189
  761   HD12  LEU  97          HD12      LEU  97   4.246  20.985 -10.834
  762   HD13  LEU  97          HD13      LEU  97   2.853  20.891 -11.933
  763   HD21  LEU  97          HD21      LEU  97   1.266  18.843 -11.656
  764   HD22  LEU  97          HD22      LEU  97   1.839  17.441 -10.721
  765   HD23  LEU  97          HD23      LEU  97   1.362  18.923  -9.882
  766    H    SER  98           H        SER  98   6.584  16.503 -12.682
  767    HA   SER  98           HA       SER  98   7.205  15.523 -10.103
  768    HB2  SER  98           HB2      SER  98   8.357  15.006 -12.878
  769    HB3  SER  98           HB3      SER  98   8.664  13.985 -11.462
  770    HG   SER  98           HG       SER  98   6.559  13.863 -13.094
  771    H    ASP  99           H        ASP  99   8.695  18.155 -11.795
  772    HA   ASP  99           HA       ASP  99  11.108  18.034 -10.038
  773    HB2  ASP  99           HB2      ASP  99  10.857  18.802 -12.968
  774    HB3  ASP  99           HB3      ASP  99  12.135  19.439 -11.970
  775    H    ILE 100           H        ILE 100   8.235  19.415  -9.948
  776    HA   ILE 100           HA       ILE 100   9.266  22.183  -9.474
  777    HB   ILE 100           HB       ILE 100   6.784  21.155 -10.781
  778   HG12  ILE 100          HG12      ILE 100   8.897  22.246 -11.845
  779   HG13  ILE 100          HG13      ILE 100   7.287  22.628 -12.460
  780   HG21  ILE 100          HG21      ILE 100   5.549  23.269 -10.476
  781   HG22  ILE 100          HG22      ILE 100   5.692  22.333  -8.989
  782   HG23  ILE 100          HG23      ILE 100   6.710  23.770  -9.228
  783   HD11  ILE 100          HD11      ILE 100   7.316  24.801 -11.418
  784   HD12  ILE 100          HD12      ILE 100   8.802  24.411 -10.526
  785   HD13  ILE 100          HD13      ILE 100   8.834  24.570 -12.295
  786    H    GLU 101           H        GLU 101   8.634  23.196  -7.698
  787    HA   GLU 101           HA       GLU 101   6.877  21.816  -5.764
  788    HB2  GLU 101           HB2      GLU 101   9.154  21.360  -4.976
  789    HB3  GLU 101           HB3      GLU 101   9.574  23.068  -5.104
  790    HG2  GLU 101           HG2      GLU 101   9.124  22.447  -2.776
  791    HG3  GLU 101           HG3      GLU 101   7.969  23.644  -3.333
  792    H    ALA 102           H        ALA 102   5.447  23.286  -4.823
  793    HA   ALA 102           HA       ALA 102   5.219  25.809  -6.333
  794    HB1  ALA 102           HB1      ALA 102   2.974  25.869  -5.352
  795    HB2  ALA 102           HB2      ALA 102   3.269  24.330  -6.163
  796    HB3  ALA 102           HB3      ALA 102   3.330  24.422  -4.382
  797    H    ILE 103           H        ILE 103   5.069  27.837  -5.369
  798    HA   ILE 103           HA       ILE 103   5.870  28.081  -2.498
  799    HB   ILE 103           HB       ILE 103   6.625  29.762  -4.912
  800   HG12  ILE 103          HG12      ILE 103   8.432  28.161  -3.039
  801   HG13  ILE 103          HG13      ILE 103   7.890  27.567  -4.600
  802   HG21  ILE 103          HG21      ILE 103   7.968  31.139  -3.368
  803   HG22  ILE 103          HG22      ILE 103   6.275  31.206  -2.928
  804   HG23  ILE 103          HG23      ILE 103   7.386  30.182  -1.988
  805   HD11  ILE 103          HD11      ILE 103   9.681  29.977  -4.151
  806   HD12  ILE 103          HD12      ILE 103  10.089  28.426  -4.883
  807   HD13  ILE 103          HD13      ILE 103   8.978  29.516  -5.723
  808    H    ASP 104           H        ASP 104   4.575  29.279  -1.269
  809    HA   ASP 104           HA       ASP 104   2.752  30.347  -0.523
  810    HB2  ASP 104           HB2      ASP 104   4.363  32.107  -1.136
  811    HB3  ASP 104           HB3      ASP 104   3.563  32.297  -2.696
  812    H    VAL 105           H        VAL 105   1.881  28.307  -2.186
  813    HA   VAL 105           HA       VAL 105  -0.419  29.407  -3.712
  814    HB   VAL 105           HB       VAL 105  -0.766  27.028  -4.335
  815   HG11  VAL 105          HG11      VAL 105   1.001  26.936  -5.973
  816   HG12  VAL 105          HG12      VAL 105   0.383  28.579  -5.773
  817   HG13  VAL 105          HG13      VAL 105   1.954  28.136  -5.068
  818   HG21  VAL 105          HG21      VAL 105   1.957  26.442  -3.094
  819   HG22  VAL 105          HG22      VAL 105   0.396  25.996  -2.381
  820   HG23  VAL 105          HG23      VAL 105   0.867  25.318  -3.938
  821    H    ASP 106           H        ASP 106  -2.460  27.941  -3.413
  822    HA   ASP 106           HA       ASP 106  -3.361  28.079  -0.647
  823    HB2  ASP 106           HB2      ASP 106  -4.838  28.339  -2.743
  824    HB3  ASP 106           HB3      ASP 106  -4.647  26.583  -2.939
  825    H    ASP 107           H        ASP 107  -4.358  26.044   0.246
  826    HA   ASP 107           HA       ASP 107  -2.308  24.008   0.712
  827    HB2  ASP 107           HB2      ASP 107  -3.830  24.709   2.500
  828    HB3  ASP 107           HB3      ASP 107  -5.228  24.232   1.533
  829    H    ASP 108           H        ASP 108  -5.365  24.240  -1.208
  830    HA   ASP 108           HA       ASP 108  -5.373  21.426  -1.769
  831    HB2  ASP 108           HB2      ASP 108  -7.290  23.186  -1.862
  832    HB3  ASP 108           HB3      ASP 108  -6.696  23.541  -3.488
  833    H    THR 109           H        THR 109  -3.822  24.221  -3.305
  834    HA   THR 109           HA       THR 109  -3.075  22.821  -5.781
  835    HB   THR 109           HB       THR 109  -2.246  25.430  -4.443
  836    HG1  THR 109           HG1      THR 109  -4.422  25.192  -5.262
  837   HG21  THR 109          HG21      THR 109  -1.300  26.147  -6.559
  838   HG22  THR 109          HG22      THR 109  -0.456  24.674  -6.052
  839   HG23  THR 109          HG23      THR 109  -1.698  24.612  -7.324
  840    H    GLN 110           H        GLN 110  -1.491  23.784  -2.615
  841    HA   GLN 110           HA       GLN 110   1.014  22.652  -3.230
  842    HB2  GLN 110           HB2      GLN 110   0.556  24.184  -1.317
  843    HB3  GLN 110           HB3      GLN 110  -0.369  22.918  -0.525
  844    HG2  GLN 110           HG2      GLN 110   1.865  23.156   0.393
  845    HG3  GLN 110           HG3      GLN 110   1.634  21.548  -0.299
  846   HE21  GLN 110          HE22      GLN 110   2.813  21.010  -2.310
  847   HE22  GLN 110          HE21      GLN 110   4.291  21.907  -2.691
  848    H    GLU 111           H        GLU 111  -1.920  21.169  -1.789
  849    HA   GLU 111           HA       GLU 111  -0.822  18.598  -1.326
  850    HB2  GLU 111           HB2      GLU 111  -3.594  19.748  -1.711
  851    HB3  GLU 111           HB3      GLU 111  -3.411  18.007  -1.757
  852    HG2  GLU 111           HG2      GLU 111  -2.365  19.762   0.499
  853    HG3  GLU 111           HG3      GLU 111  -3.936  18.951   0.517
  854    H    ALA 112           H        ALA 112  -2.289  20.005  -4.297
  855    HA   ALA 112           HA       ALA 112  -2.334  17.530  -5.723
  856    HB1  ALA 112           HB1      ALA 112  -3.541  19.520  -6.477
  857    HB2  ALA 112           HB2      ALA 112  -2.005  20.362  -6.772
  858    HB3  ALA 112           HB3      ALA 112  -2.434  18.939  -7.741
  859    H    ILE 113           H        ILE 113   0.265  20.024  -5.402
  860    HA   ILE 113           HA       ILE 113   2.147  18.597  -7.066
  861    HB   ILE 113           HB       ILE 113   2.456  20.760  -4.959
  862   HG12  ILE 113          HG12      ILE 113   3.559  21.835  -7.177
  863   HG13  ILE 113          HG13      ILE 113   2.576  20.620  -7.988
  864   HG21  ILE 113          HG21      ILE 113   4.792  21.002  -5.585
  865   HG22  ILE 113          HG22      ILE 113   4.515  19.471  -4.775
  866   HG23  ILE 113          HG23      ILE 113   4.718  19.508  -6.551
  867   HD11  ILE 113          HD11      ILE 113   0.575  21.568  -6.990
  868   HD12  ILE 113          HD12      ILE 113   1.564  22.655  -5.974
  869   HD13  ILE 113          HD13      ILE 113   1.515  22.871  -7.737
  870    H    ALA 114           H        ALA 114   1.672  18.696  -3.476
  871    HA   ALA 114           HA       ALA 114   3.921  17.102  -2.907
  872    HB1  ALA 114           HB1      ALA 114   2.908  16.870  -0.673
  873    HB2  ALA 114           HB2      ALA 114   2.784  18.542  -1.245
  874    HB3  ALA 114           HB3      ALA 114   1.358  17.476  -1.287
  875    H    ASP 115           H        ASP 115   0.477  16.228  -3.319
  876    HA   ASP 115           HA       ASP 115   0.740  13.469  -2.697
  877    HB2  ASP 115           HB2      ASP 115  -1.348  14.900  -2.716
  878    HB3  ASP 115           HB3      ASP 115  -1.344  14.764  -4.481
  879    H    TRP 116           H        TRP 116   1.054  15.276  -5.750
  880    HA   TRP 116           HA       TRP 116   1.324  12.943  -7.439
  881    HB2  TRP 116           HB2      TRP 116   0.760  15.082  -8.419
  882    HB3  TRP 116           HB3      TRP 116   2.216  15.833  -7.768
  883    HD1  TRP 116           HD1      TRP 116   4.280  15.842  -9.275
  884    HE1  TRP 116           HE1      TRP 116   5.088  14.559 -11.348
  885    HE3  TRP 116           HE3      TRP 116   0.415  12.526  -9.771
  886    HZ2  TRP 116           HZ2      TRP 116   4.042  12.587 -13.158
  887    HZ3  TRP 116           HZ3      TRP 116   0.367  10.925 -11.658
  888    HH2  TRP 116           HH2      TRP 116   2.176  10.948 -13.369
  889    H    LEU 117           H        LEU 117   3.667  15.025  -5.645
  890    HA   LEU 117           HA       LEU 117   5.982  13.630  -6.610
  891    HB2  LEU 117           HB2      LEU 117   5.543  15.353  -4.146
  892    HB3  LEU 117           HB3      LEU 117   7.107  14.693  -4.606
  893    HG   LEU 117           HG       LEU 117   5.474  16.571  -6.373
  894   HD11  LEU 117          HD11      LEU 117   7.889  17.147  -4.610
  895   HD12  LEU 117          HD12      LEU 117   7.085  18.293  -5.709
  896   HD13  LEU 117          HD13      LEU 117   6.218  17.669  -4.299
  897   HD21  LEU 117          HD21      LEU 117   6.968  15.202  -7.723
  898   HD22  LEU 117          HD22      LEU 117   7.588  16.848  -7.622
  899   HD23  LEU 117          HD23      LEU 117   8.333  15.566  -6.642
  900    H    TYR 118           H        TYR 118   3.807  13.057  -3.798
  901    HA   TYR 118           HA       TYR 118   5.430  10.940  -2.745
  902    HB2  TYR 118           HB2      TYR 118   2.422  11.263  -2.528
  903    HB3  TYR 118           HB3      TYR 118   3.432  10.219  -1.538
  904    HD1  TYR 118           HD2      TYR 118   5.758  12.105  -0.915
  905    HD2  TYR 118           HD1      TYR 118   1.488  12.712  -0.917
  906    HE1  TYR 118           HE2      TYR 118   6.029  13.996   0.636
  907    HE2  TYR 118           HE1      TYR 118   1.754  14.661   0.563
  908    HH   TYR 118           HH       TYR 118   4.965  15.700   1.823
  909    H    TRP 119           H        TRP 119   2.741  10.900  -5.188
  910    HA   TRP 119           HA       TRP 119   2.827   8.084  -5.642
  911    HB2  TRP 119           HB2      TRP 119   0.986   9.166  -6.437
  912    HB3  TRP 119           HB3      TRP 119   1.890  10.491  -7.150
  913    HD1  TRP 119           HD1      TRP 119   3.303   9.848  -9.469
  914    HE1  TRP 119           HE1      TRP 119   2.517   8.480 -11.467
  915    HE3  TRP 119           HE3      TRP 119  -0.501   7.215  -7.239
  916    HZ2  TRP 119           HZ2      TRP 119   0.320   6.771 -12.120
  917    HZ3  TRP 119           HZ3      TRP 119  -2.026   5.844  -8.629
  918    HH2  TRP 119           HH2      TRP 119  -1.651   5.631 -11.077
  919    H    LEU 120           H        LEU 120   4.733  10.760  -7.143
  920    HA   LEU 120           HA       LEU 120   6.206   9.201  -8.971
  921    HB2  LEU 120           HB2      LEU 120   6.203  11.629  -8.996
  922    HB3  LEU 120           HB3      LEU 120   6.866  11.691  -7.372
  923    HG   LEU 120           HG       LEU 120   9.005  10.683  -8.201
  924   HD11  LEU 120          HD11      LEU 120   9.450  10.747 -10.633
  925   HD12  LEU 120          HD12      LEU 120   8.187   9.575 -10.252
  926   HD13  LEU 120          HD13      LEU 120   7.752  11.164 -10.942
  927   HD21  LEU 120          HD21      LEU 120   8.783  13.071  -7.847
  928   HD22  LEU 120          HD22      LEU 120   9.721  12.804  -9.323
  929   HD23  LEU 120          HD23      LEU 120   8.006  13.279  -9.426
  930    H    ALA 121           H        ALA 121   6.981  10.048  -5.536
  931    HA   ALA 121           HA       ALA 121   9.293   8.366  -5.400
  932    HB1  ALA 121           HB1      ALA 121   7.485   9.419  -3.184
  933    HB2  ALA 121           HB2      ALA 121   9.114   8.736  -2.975
  934    HB3  ALA 121           HB3      ALA 121   8.898  10.254  -3.866
  935    H    ARG 122           H        ARG 122   5.857   7.614  -5.176
  936    HA   ARG 122           HA       ARG 122   6.170   5.085  -3.822
  937    HB2  ARG 122           HB2      ARG 122   4.015   6.667  -4.397
  938    HB3  ARG 122           HB3      ARG 122   3.881   5.505  -5.697
  939    HG2  ARG 122           HG2      ARG 122   2.522   4.722  -3.991
  940    HG3  ARG 122           HG3      ARG 122   3.934   3.679  -3.873
  941    HD2  ARG 122           HD2      ARG 122   3.876   6.188  -2.178
  942    HD3  ARG 122           HD3      ARG 122   2.724   4.934  -1.759
  943    HE   ARG 122           HE       ARG 122   5.513   4.953  -1.186
  944   HH11  ARG 122          HH11      ARG 122   2.747   2.770  -1.743
  945   HH12  ARG 122          HH12      ARG 122   3.509   1.426  -0.961
  946   HH21  ARG 122          HH21      ARG 122   6.417   3.267  -0.026
  947   HH22  ARG 122          HH22      ARG 122   5.673   1.699   0.017
  948    H    GLY 123           H        GLY 123   6.987   6.152  -6.974
  949    HA2  GLY 123           HA2      GLY 123   7.930   4.974  -8.723
  950    HA3  GLY 123           HA3      GLY 123   7.643   3.440  -7.879
  951    H    TYR 124           H        TYR 124   5.185   5.964  -8.505
  952    HA   TYR 124           HA       TYR 124   3.218   6.020  -9.545
  953    HB2  TYR 124           HB2      TYR 124   5.099   4.749 -11.479
  954    HB3  TYR 124           HB3      TYR 124   3.414   4.760 -11.925
  955    HD1  TYR 124           HD2      TYR 124   5.716   7.316 -10.328
  956    HD2  TYR 124           HD1      TYR 124   3.005   6.335 -13.543
  957    HE1  TYR 124           HE2      TYR 124   6.103   9.530 -11.321
  958    HE2  TYR 124           HE1      TYR 124   3.446   8.535 -14.577
  959    HH   TYR 124           HH       TYR 124   5.780  10.888 -13.205
  960    H    LYS 125           H        LYS 125   1.532   4.561 -10.879
  961    HA   LYS 125           HA       LYS 125   1.479   1.796  -9.782
  962    HB2  LYS 125           HB2      LYS 125  -0.973   3.584  -9.981
  963    HB3  LYS 125           HB3      LYS 125  -0.964   1.901  -9.495
  964    HG2  LYS 125           HG2      LYS 125   0.479   4.108  -7.970
  965    HG3  LYS 125           HG3      LYS 125  -1.162   3.564  -7.615
  966    HD2  LYS 125           HD2      LYS 125  -0.386   1.306  -7.095
  967    HD3  LYS 125           HD3      LYS 125   1.279   1.732  -7.533
  968    HE2  LYS 125           HE2      LYS 125   1.300   3.472  -5.760
  969    HE3  LYS 125           HE3      LYS 125  -0.348   3.024  -5.303
  970    HZ1  LYS 125           HZ1      LYS 125   2.020   1.249  -5.122
  971    HZ2  LYS 125           HZ2      LYS 125   1.255   1.991  -3.868
  972    HZ3  LYS 125           HZ3      LYS 125   0.489   0.820  -4.717
  973    H    PHE 126           H        PHE 126   0.356   4.042 -12.398
  974    HA   PHE 126           HA       PHE 126  -0.359   1.746 -14.056
  975    HB2  PHE 126           HB2      PHE 126  -0.670   3.242 -15.855
  976    HB3  PHE 126           HB3      PHE 126  -1.559   3.778 -14.454
  977    HD1  PHE 126           HD2      PHE 126   1.594   4.449 -16.416
  978    HD2  PHE 126           HD1      PHE 126  -1.440   6.054 -13.806
  979    HE1  PHE 126           HE2      PHE 126   2.413   6.745 -16.866
  980    HE2  PHE 126           HE1      PHE 126  -0.620   8.345 -14.262
  981    HZ   PHE 126           HZ       PHE 126   1.298   8.700 -15.806
  Start of MODEL   20
    1    H1   MET   1           H1       MET   1   6.168  -0.167  -5.270
    2    H2   MET   1           H2       MET   1   6.963   1.257  -5.425
    3    H3   MET   1           H3       MET   1   7.764  -0.064  -4.875
    4    HA   MET   1           HA       MET   1   5.634   1.422  -3.509
    5    HB2  MET   1           HB2      MET   1   7.046  -1.144  -2.642
    6    HB3  MET   1           HB3      MET   1   6.151  -0.095  -1.542
    7    HG2  MET   1           HG2      MET   1   4.098  -0.394  -2.891
    8    HG3  MET   1           HG3      MET   1   4.967  -1.509  -3.956
    9    HE1  MET   1           HE1      MET   1   2.510  -3.868  -2.021
   10    HE2  MET   1           HE2      MET   1   2.202  -2.195  -2.538
   11    HE3  MET   1           HE3      MET   1   3.073  -3.314  -3.614
   12    H    ALA   2           H        ALA   2   6.366   2.559  -1.577
   13    HA   ALA   2           HA       ALA   2   9.177   2.727  -0.923
   14    HB1  ALA   2           HB1      ALA   2   7.744   5.197  -2.058
   15    HB2  ALA   2           HB2      ALA   2   9.343   5.184  -1.295
   16    HB3  ALA   2           HB3      ALA   2   9.097   4.336  -2.830
   17    H    SER   3           H        SER   3   9.375   3.657   1.202
   18    HA   SER   3           HA       SER   3   7.026   3.609   2.806
   19    HB2  SER   3           HB2      SER   3   9.796   4.639   3.549
   20    HB3  SER   3           HB3      SER   3   8.576   3.956   4.641
   21    HG   SER   3           HG       SER   3  10.212   2.443   4.099
   22    H    VAL   4           H        VAL   4   7.342   5.823   0.729
   23    HA   VAL   4           HA       VAL   4   7.390   8.335   2.165
   24    HB   VAL   4           HB       VAL   4   8.117   7.832  -0.245
   25   HG11  VAL   4          HG11      VAL   4   6.553   7.858  -2.017
   26   HG12  VAL   4          HG12      VAL   4   6.124   6.558  -0.907
   27   HG13  VAL   4          HG13      VAL   4   5.180   8.066  -0.913
   28   HG21  VAL   4          HG21      VAL   4   6.222  10.185   0.083
   29   HG22  VAL   4          HG22      VAL   4   7.914  10.141   0.624
   30   HG23  VAL   4          HG23      VAL   4   7.538  10.019  -1.100
   31    H    GLU   5           H        GLU   5   5.000   5.895   1.752
   32    HA   GLU   5           HA       GLU   5   2.643   7.355   1.342
   33    HB2  GLU   5           HB2      GLU   5   1.492   5.398   2.356
   34    HB3  GLU   5           HB3      GLU   5   2.641   4.970   1.098
   35    HG2  GLU   5           HG2      GLU   5   4.256   4.165   2.716
   36    HG3  GLU   5           HG3      GLU   5   3.335   4.820   4.065
   37    H    ARG   6           H        ARG   6   1.066   8.251   2.670
   38    HA   ARG   6           HA       ARG   6   1.814   9.066   5.396
   39    HB2  ARG   6           HB2      ARG   6   0.576  10.606   4.014
   40    HB3  ARG   6           HB3      ARG   6  -0.665   9.425   3.634
   41    HG2  ARG   6           HG2      ARG   6  -0.203  10.321   6.504
   42    HG3  ARG   6           HG3      ARG   6  -1.125  11.310   5.369
   43    HD2  ARG   6           HD2      ARG   6  -2.644   9.347   4.926
   44    HD3  ARG   6           HD3      ARG   6  -1.802   8.460   6.187
   45    HE   ARG   6           HE       ARG   6  -2.754   9.733   7.841
   46   HH11  ARG   6          HH11      ARG   6  -3.666  11.114   4.693
   47   HH12  ARG   6          HH12      ARG   6  -4.918  12.108   5.339
   48   HH21  ARG   6          HH21      ARG   6  -4.416  11.060   8.693
   49   HH22  ARG   6          HH22      ARG   6  -5.348  12.076   7.662
   50    H    ASP   7           H        ASP   7  -0.581   6.986   3.736
   51    HA   ASP   7           HA       ASP   7  -0.175   4.714   5.385
   52    HB2  ASP   7           HB2      ASP   7  -1.731   5.956   6.910
   53    HB3  ASP   7           HB3      ASP   7  -2.861   6.170   5.572
   54    H    GLU   8           H        GLU   8  -1.486   2.907   4.279
   55    HA   GLU   8           HA       GLU   8  -1.658   3.105   1.472
   56    HB2  GLU   8           HB2      GLU   8  -3.096   1.230   3.400
   57    HB3  GLU   8           HB3      GLU   8  -3.043   1.027   1.644
   58    HG2  GLU   8           HG2      GLU   8  -0.551   0.907   1.742
   59    HG3  GLU   8           HG3      GLU   8  -0.632   1.011   3.504
   60    H    THR   9           H        THR   9  -4.061   4.015   3.933
   61    HA   THR   9           HA       THR   9  -6.348   4.279   2.400
   62    HB   THR   9           HB       THR   9  -5.299   6.179   4.510
   63    HG1  THR   9           HG1      THR   9  -5.301   4.177   5.336
   64   HG21  THR   9          HG21      THR   9  -8.153   5.607   3.589
   65   HG22  THR   9          HG22      THR   9  -7.715   6.534   5.046
   66   HG23  THR   9          HG23      THR   9  -7.277   7.147   3.450
   67    H    ARG  10           H        ARG  10  -3.396   6.338   2.153
   68    HA   ARG  10           HA       ARG  10  -4.736   8.436   0.682
   69    HB2  ARG  10           HB2      ARG  10  -2.508   8.744   1.804
   70    HB3  ARG  10           HB3      ARG  10  -1.795   7.577   0.688
   71    HG2  ARG  10           HG2      ARG  10  -1.212   9.750  -0.119
   72    HG3  ARG  10           HG3      ARG  10  -2.407   9.095  -1.225
   73    HD2  ARG  10           HD2      ARG  10  -4.062  10.462   0.474
   74    HD3  ARG  10           HD3      ARG  10  -2.580  11.398   0.686
   75    HE   ARG  10           HE       ARG  10  -2.503  11.705  -1.765
   76   HH11  ARG  10          HH11      ARG  10  -5.694  11.012  -0.320
   77   HH12  ARG  10          HH12      ARG  10  -6.576  11.722  -1.618
   78   HH21  ARG  10          HH21      ARG  10  -3.655  12.653  -3.439
   79   HH22  ARG  10          HH22      ARG  10  -5.389  12.699  -3.427
   80    H    GLU  11           H        GLU  11  -2.869   5.529  -0.345
   81    HA   GLU  11           HA       GLU  11  -3.315   5.995  -3.144
   82    HB2  GLU  11           HB2      GLU  11  -2.609   3.456  -1.616
   83    HB3  GLU  11           HB3      GLU  11  -2.704   3.588  -3.380
   84    HG2  GLU  11           HG2      GLU  11  -1.034   5.511  -3.223
   85    HG3  GLU  11           HG3      GLU  11  -0.797   5.063  -1.529
   86    H    HIS  12           H        HIS  12  -5.151   4.182  -0.636
   87    HA   HIS  12           HA       HIS  12  -7.070   3.109  -2.447
   88    HB2  HIS  12           HB2      HIS  12  -6.794   2.298  -0.156
   89    HB3  HIS  12           HB3      HIS  12  -7.349   3.851   0.476
   90    HD1  HIS  12           HD1      HIS  12  -9.095   1.693  -2.301
   91    HD2  HIS  12           HD2      HIS  12  -9.636   3.356   1.547
   92    HE1  HIS  12           HE1      HIS  12 -11.534   1.328  -1.686
   93    H    ARG  13           H        ARG  13  -6.968   6.338  -0.789
   94    HA   ARG  13           HA       ARG  13  -9.554   7.063  -1.901
   95    HB2  ARG  13           HB2      ARG  13  -7.383   8.675  -0.535
   96    HB3  ARG  13           HB3      ARG  13  -8.859   9.413  -1.175
   97    HG2  ARG  13           HG2      ARG  13  -8.865   7.106   0.815
   98    HG3  ARG  13           HG3      ARG  13  -8.942   8.796   1.294
   99    HD2  ARG  13           HD2      ARG  13 -11.102   9.104   0.474
  100    HD3  ARG  13           HD3      ARG  13 -11.009   7.791  -0.684
  101    HE   ARG  13           HE       ARG  13 -11.514   7.585   2.219
  102   HH11  ARG  13          HH11      ARG  13 -11.434   5.859  -0.942
  103   HH12  ARG  13          HH12      ARG  13 -11.663   4.314  -0.201
  104   HH21  ARG  13          HH21      ARG  13 -12.108   5.536   3.074
  105   HH22  ARG  13          HH22      ARG  13 -12.270   4.168   2.037
  106    H    ILE  14           H        ILE  14  -6.174   7.569  -2.995
  107    HA   ILE  14           HA       ILE  14  -6.864   9.041  -5.334
  108    HB   ILE  14           HB       ILE  14  -4.663   7.062  -4.676
  109   HG12  ILE  14          HG12      ILE  14  -4.468  10.039  -5.268
  110   HG13  ILE  14          HG13      ILE  14  -4.820   9.428  -3.654
  111   HG21  ILE  14          HG21      ILE  14  -3.515   7.724  -6.787
  112   HG22  ILE  14          HG22      ILE  14  -4.986   6.788  -7.057
  113   HG23  ILE  14          HG23      ILE  14  -4.991   8.553  -7.308
  114   HD11  ILE  14          HD11      ILE  14  -2.469   9.898  -3.803
  115   HD12  ILE  14          HD12      ILE  14  -2.686   8.144  -3.663
  116   HD13  ILE  14          HD13      ILE  14  -2.290   8.885  -5.239
  117    H    GLU  15           H        GLU  15  -6.726   5.497  -4.797
  118    HA   GLU  15           HA       GLU  15  -7.511   4.661  -7.300
  119    HB2  GLU  15           HB2      GLU  15  -6.609   3.126  -5.740
  120    HB3  GLU  15           HB3      GLU  15  -7.800   3.535  -4.518
  121    HG2  GLU  15           HG2      GLU  15  -9.574   2.419  -5.824
  122    HG3  GLU  15           HG3      GLU  15  -8.356   1.928  -7.013
  123    H    THR  16           H        THR  16  -9.580   5.897  -4.683
  124    HA   THR  16           HA       THR  16 -12.008   5.087  -6.177
  125    HB   THR  16           HB       THR  16 -13.126   5.503  -3.949
  126    HG1  THR  16           HG1      THR  16 -10.469   5.348  -2.967
  127   HG21  THR  16          HG21      THR  16 -12.389   3.377  -3.009
  128   HG22  THR  16          HG22      THR  16 -12.507   3.241  -4.770
  129   HG23  THR  16          HG23      THR  16 -10.911   3.399  -4.002
  130    H    GLU  17           H        GLU  17 -10.199   7.883  -5.796
  131    HA   GLU  17           HA       GLU  17 -12.559   9.563  -6.517
  132    HB2  GLU  17           HB2      GLU  17 -11.708   9.715  -4.138
  133    HB3  GLU  17           HB3      GLU  17 -10.221  10.427  -4.781
  134    HG2  GLU  17           HG2      GLU  17 -11.473  12.324  -5.684
  135    HG3  GLU  17           HG3      GLU  17 -13.008  11.560  -5.260
  136    H    ILE  18           H        ILE  18  -9.213   8.814  -7.354
  137    HA   ILE  18           HA       ILE  18  -9.148  11.188  -9.181
  138    HB   ILE  18           HB       ILE  18  -6.994   9.854  -7.526
  139   HG12  ILE  18          HG12      ILE  18  -7.808  12.787  -7.624
  140   HG13  ILE  18          HG13      ILE  18  -8.616  11.660  -6.551
  141   HG21  ILE  18          HG21      ILE  18  -5.377  11.459  -8.514
  142   HG22  ILE  18          HG22      ILE  18  -5.999  10.356  -9.726
  143   HG23  ILE  18          HG23      ILE  18  -6.627  12.010  -9.651
  144   HD11  ILE  18          HD11      ILE  18  -6.844  12.963  -5.432
  145   HD12  ILE  18          HD12      ILE  18  -6.626  11.213  -5.304
  146   HD13  ILE  18          HD13      ILE  18  -5.625  12.150  -6.427
  147    H    ILE  19           H        ILE  19  -8.242   7.694  -8.901
  148    HA   ILE  19           HA       ILE  19  -8.208   7.611 -11.892
  149    HB   ILE  19           HB       ILE  19  -6.726   5.727 -11.744
  150   HG12  ILE  19          HG12      ILE  19  -6.638   6.376  -8.767
  151   HG13  ILE  19          HG13      ILE  19  -7.286   4.903  -9.518
  152   HG21  ILE  19          HG21      ILE  19  -6.009   8.123 -12.083
  153   HG22  ILE  19          HG22      ILE  19  -5.551   8.153 -10.359
  154   HG23  ILE  19          HG23      ILE  19  -4.772   7.024 -11.495
  155   HD11  ILE  19          HD11      ILE  19  -5.014   4.492 -10.461
  156   HD12  ILE  19          HD12      ILE  19  -4.425   5.870  -9.497
  157   HD13  ILE  19          HD13      ILE  19  -5.095   4.439  -8.676
  158    H    VAL  20           H        VAL  20 -10.399   7.111  -9.649
  159    HA   VAL  20           HA       VAL  20 -11.206   4.452  -9.817
  160    HB   VAL  20           HB       VAL  20 -12.011   6.187  -8.280
  161   HG11  VAL  20          HG11      VAL  20 -13.831   7.170 -10.502
  162   HG12  VAL  20          HG12      VAL  20 -13.836   7.694  -8.809
  163   HG13  VAL  20          HG13      VAL  20 -12.443   8.057  -9.831
  164   HG21  VAL  20          HG21      VAL  20 -13.201   4.044  -8.467
  165   HG22  VAL  20          HG22      VAL  20 -14.285   5.372  -8.019
  166   HG23  VAL  20          HG23      VAL  20 -14.288   4.752  -9.684
  167    H    ASP  21           H        ASP  21 -11.696   7.045 -12.194
  168    HA   ASP  21           HA       ASP  21 -13.501   5.437 -13.843
  169    HB2  ASP  21           HB2      ASP  21 -13.745   7.888 -13.565
  170    HB3  ASP  21           HB3      ASP  21 -12.164   8.129 -14.310
  171    H    ALA  22           H        ALA  22 -10.103   5.493 -13.433
  172    HA   ALA  22           HA       ALA  22  -9.393   5.454 -16.254
  173    HB1  ALA  22           HB1      ALA  22  -7.666   4.886 -13.812
  174    HB2  ALA  22           HB2      ALA  22  -7.098   5.137 -15.466
  175    HB3  ALA  22           HB3      ALA  22  -7.864   6.479 -14.601
  176    H    GLU  23           H        GLU  23  -8.109   3.712 -17.184
  177    HA   GLU  23           HA       GLU  23  -8.658   0.976 -16.224
  178    HB2  GLU  23           HB2      GLU  23 -10.641   1.772 -17.540
  179    HB3  GLU  23           HB3      GLU  23  -9.588   2.025 -18.935
  180    HG2  GLU  23           HG2      GLU  23  -9.102  -0.385 -19.036
  181    HG3  GLU  23           HG3      GLU  23  -9.997  -0.656 -17.537
  182    H    ASP  24           H        ASP  24  -6.814   3.221 -18.299
  183    HA   ASP  24           HA       ASP  24  -4.696   1.232 -18.641
  184    HB2  ASP  24           HB2      ASP  24  -6.409   1.261 -20.661
  185    HB3  ASP  24           HB3      ASP  24  -5.622   2.784 -21.066
  186    H    LYS  25           H        LYS  25  -2.810   2.521 -19.727
  187    HA   LYS  25           HA       LYS  25  -2.028   4.405 -17.841
  188    HB2  LYS  25           HB2      LYS  25  -0.016   4.702 -19.164
  189    HB3  LYS  25           HB3      LYS  25  -0.507   3.020 -19.047
  190    HG2  LYS  25           HG2      LYS  25  -1.632   3.415 -21.409
  191    HG3  LYS  25           HG3      LYS  25  -0.690   4.902 -21.438
  192    HD2  LYS  25           HD2      LYS  25   0.543   3.196 -22.626
  193    HD3  LYS  25           HD3      LYS  25   1.393   3.566 -21.128
  194    HE2  LYS  25           HE2      LYS  25   1.447   1.195 -21.383
  195    HE3  LYS  25           HE3      LYS  25   0.322   1.541 -20.066
  196    HZ1  LYS  25           HZ1      LYS  25  -1.517   1.102 -21.540
  197    HZ2  LYS  25           HZ2      LYS  25  -0.520   0.950 -22.846
  198    HZ3  LYS  25           HZ3      LYS  25  -0.479  -0.145 -21.642
  199    H    GLU  26           H        GLU  26  -3.654   5.053 -20.900
  200    HA   GLU  26           HA       GLU  26  -3.038   7.882 -20.997
  201    HB2  GLU  26           HB2      GLU  26  -5.263   6.183 -22.229
  202    HB3  GLU  26           HB3      GLU  26  -5.028   7.901 -22.567
  203    HG2  GLU  26           HG2      GLU  26  -2.725   7.406 -23.408
  204    HG3  GLU  26           HG3      GLU  26  -2.995   5.689 -23.118
  205    H    GLU  27           H        GLU  27  -5.837   5.910 -19.771
  206    HA   GLU  27           HA       GLU  27  -7.315   8.218 -18.873
  207    HB2  GLU  27           HB2      GLU  27  -7.608   5.326 -18.017
  208    HB3  GLU  27           HB3      GLU  27  -8.819   6.609 -17.945
  209    HG2  GLU  27           HG2      GLU  27  -7.718   5.259 -20.439
  210    HG3  GLU  27           HG3      GLU  27  -9.328   5.078 -19.760
  211    H    ARG  28           H        ARG  28  -4.941   6.025 -17.443
  212    HA   ARG  28           HA       ARG  28  -5.184   6.607 -14.672
  213    HB2  ARG  28           HB2      ARG  28  -3.687   4.882 -15.364
  214    HB3  ARG  28           HB3      ARG  28  -3.033   5.860 -16.637
  215    HG2  ARG  28           HG2      ARG  28  -1.952   7.273 -14.628
  216    HG3  ARG  28           HG3      ARG  28  -2.202   5.754 -13.783
  217    HD2  ARG  28           HD2      ARG  28  -0.020   5.644 -14.672
  218    HD3  ARG  28           HD3      ARG  28  -0.970   4.647 -15.773
  219    HE   ARG  28           HE       ARG  28  -1.081   6.768 -17.235
  220   HH11  ARG  28          HH11      ARG  28   1.789   5.810 -15.372
  221   HH12  ARG  28          HH12      ARG  28   2.879   6.738 -16.336
  222   HH21  ARG  28          HH21      ARG  28   0.395   8.020 -18.513
  223   HH22  ARG  28          HH22      ARG  28   2.054   8.092 -18.049
  224    H    ALA  29           H        ALA  29  -3.217   8.134 -17.230
  225    HA   ALA  29           HA       ALA  29  -2.242  10.160 -15.451
  226    HB1  ALA  29           HB1      ALA  29  -1.095  10.934 -17.444
  227    HB2  ALA  29           HB2      ALA  29  -0.988   9.179 -17.293
  228    HB3  ALA  29           HB3      ALA  29  -2.128   9.880 -18.469
  229    H    MET  30           H        MET  30  -4.959  10.026 -17.821
  230    HA   MET  30           HA       MET  30  -5.524  12.849 -17.625
  231    HB2  MET  30           HB2      MET  30  -7.281  10.485 -18.318
  232    HB3  MET  30           HB3      MET  30  -7.838  12.160 -18.316
  233    HG2  MET  30           HG2      MET  30  -5.567  11.070 -20.025
  234    HG3  MET  30           HG3      MET  30  -7.198  11.431 -20.558
  235    HE1  MET  30           HE1      MET  30  -3.695  14.357 -20.260
  236    HE2  MET  30           HE2      MET  30  -3.978  13.386 -18.815
  237    HE3  MET  30           HE3      MET  30  -3.656  12.587 -20.355
  238    H    GLY  31           H        GLY  31  -6.547  10.046 -15.583
  239    HA2  GLY  31           HA2      GLY  31  -8.159  11.493 -13.774
  240    HA3  GLY  31           HA3      GLY  31  -7.167  10.069 -13.394
  241    H    TRP  32           H        TRP  32  -4.601  10.857 -13.662
  242    HA   TRP  32           HA       TRP  32  -4.003  12.382 -11.371
  243    HB2  TRP  32           HB2      TRP  32  -2.255  11.982 -13.837
  244    HB3  TRP  32           HB3      TRP  32  -1.719  12.441 -12.234
  245    HD1  TRP  32           HD1      TRP  32  -3.921   9.846 -11.347
  246    HE1  TRP  32           HE1      TRP  32  -2.760   7.610 -11.015
  247    HE3  TRP  32           HE3      TRP  32   0.269  10.724 -14.129
  248    HZ2  TRP  32           HZ2      TRP  32  -0.268   6.348 -11.839
  249    HZ3  TRP  32           HZ3      TRP  32   2.027   9.001 -14.321
  250    HH2  TRP  32           HH2      TRP  32   1.786   6.828 -13.145
  251    H    TYR  33           H        TYR  33  -4.092  13.368 -14.811
  252    HA   TYR  33           HA       TYR  33  -3.046  15.971 -14.467
  253    HB2  TYR  33           HB2      TYR  33  -2.927  14.854 -16.592
  254    HB3  TYR  33           HB3      TYR  33  -4.648  14.539 -16.595
  255    HD1  TYR  33           HD2      TYR  33  -2.456  17.621 -16.387
  256    HD2  TYR  33           HD1      TYR  33  -5.864  15.667 -18.149
  257    HE1  TYR  33           HE2      TYR  33  -2.897  19.631 -17.754
  258    HE2  TYR  33           HE1      TYR  33  -6.373  17.703 -19.448
  259    HH   TYR  33           HH       TYR  33  -4.277  20.629 -19.337
  260    H    TYR  34           H        TYR  34  -6.497  14.793 -14.693
  261    HA   TYR  34           HA       TYR  34  -7.575  17.446 -14.719
  262    HB2  TYR  34           HB2      TYR  34  -8.832  14.817 -13.854
  263    HB3  TYR  34           HB3      TYR  34  -9.700  16.307 -14.180
  264    HD1  TYR  34           HD2      TYR  34  -7.676  16.722 -16.840
  265    HD2  TYR  34           HD1      TYR  34 -10.434  13.736 -15.361
  266    HE1  TYR  34           HE2      TYR  34  -8.152  16.012 -19.149
  267    HE2  TYR  34           HE1      TYR  34 -10.886  13.003 -17.681
  268    HH   TYR  34           HH       TYR  34  -9.328  14.551 -20.529
  269    H    TYR  35           H        TYR  35  -6.867  15.109 -12.082
  270    HA   TYR  35           HA       TYR  35  -8.050  16.552  -9.943
  271    HB2  TYR  35           HB2      TYR  35  -7.432  14.341  -9.544
  272    HB3  TYR  35           HB3      TYR  35  -5.859  14.531 -10.295
  273    HD1  TYR  35           HD1      TYR  35  -7.342  16.550  -7.445
  274    HD2  TYR  35           HD2      TYR  35  -4.338  13.743  -8.769
  275    HE1  TYR  35           HE1      TYR  35  -6.216  16.714  -5.251
  276    HE2  TYR  35           HE2      TYR  35  -3.226  13.881  -6.573
  277    HH   TYR  35           HH       TYR  35  -3.314  14.720  -4.447
  278    H    LEU  36           H        LEU  36  -4.664  16.675 -11.216
  279    HA   LEU  36           HA       LEU  36  -3.856  18.713  -9.357
  280    HB2  LEU  36           HB2      LEU  36  -2.713  17.364 -11.786
  281    HB3  LEU  36           HB3      LEU  36  -2.055  18.935 -11.371
  282    HG   LEU  36           HG       LEU  36  -1.300  18.240  -9.218
  283   HD11  LEU  36          HD11      LEU  36  -1.571  15.937  -8.343
  284   HD12  LEU  36          HD12      LEU  36  -3.110  16.791  -8.425
  285   HD13  LEU  36          HD13      LEU  36  -2.711  15.576  -9.659
  286   HD21  LEU  36          HD21      LEU  36   0.281  16.482  -9.873
  287   HD22  LEU  36          HD22      LEU  36  -0.793  15.947 -11.181
  288   HD23  LEU  36          HD23      LEU  36  -0.003  17.531 -11.279
  289    H    ASP  37           H        ASP  37  -4.947  18.826 -12.799
  290    HA   ASP  37           HA       ASP  37  -4.618  21.613 -13.125
  291    HB2  ASP  37           HB2      ASP  37  -4.986  20.085 -15.001
  292    HB3  ASP  37           HB3      ASP  37  -6.587  19.663 -14.383
  293    H    ASP  38           H        ASP  38  -7.288  19.762 -11.612
  294    HA   ASP  38           HA       ASP  38  -9.006  22.101 -11.395
  295    HB2  ASP  38           HB2      ASP  38  -9.923  19.825 -11.496
  296    HB3  ASP  38           HB3      ASP  38  -9.069  19.392 -10.011
  297    H    THR  39           H        THR  39  -6.350  20.778  -9.509
  298    HA   THR  39           HA       THR  39  -7.335  22.105  -7.032
  299    HB   THR  39           HB       THR  39  -4.991  20.223  -7.534
  300    HG1  THR  39           HG1      THR  39  -6.811  19.119  -7.842
  301   HG21  THR  39          HG21      THR  39  -5.210  19.936  -4.990
  302   HG22  THR  39          HG22      THR  39  -4.517  21.472  -5.554
  303   HG23  THR  39          HG23      THR  39  -6.198  21.411  -5.014
  304    H    LEU  40           H        LEU  40  -4.475  22.161  -9.188
  305    HA   LEU  40           HA       LEU  40  -2.897  23.883  -7.553
  306    HB2  LEU  40           HB2      LEU  40  -2.824  23.271 -10.530
  307    HB3  LEU  40           HB3      LEU  40  -1.550  24.135  -9.677
  308    HG   LEU  40           HG       LEU  40  -2.373  21.285  -8.972
  309   HD11  LEU  40          HD11      LEU  40  -0.435  20.553 -10.336
  310   HD12  LEU  40          HD12      LEU  40  -1.628  21.397 -11.334
  311   HD13  LEU  40          HD13      LEU  40  -0.143  22.232 -10.837
  312   HD21  LEU  40          HD21      LEU  40  -1.113  22.327  -7.203
  313   HD22  LEU  40          HD22      LEU  40  -0.162  21.083  -8.003
  314   HD23  LEU  40          HD23      LEU  40   0.176  22.792  -8.345
  315    H    GLU  41           H        GLU  41  -3.212  26.031  -7.193
  316    HA   GLU  41           HA       GLU  41  -5.078  27.547  -8.870
  317    HB2  GLU  41           HB2      GLU  41  -3.599  28.323  -6.321
  318    HB3  GLU  41           HB3      GLU  41  -4.827  29.288  -7.163
  319    HG2  GLU  41           HG2      GLU  41  -6.417  27.327  -6.894
  320    HG3  GLU  41           HG3      GLU  41  -5.241  26.606  -5.794
  321    H    PHE  42           H        PHE  42  -3.116  26.915 -10.531
  322    HA   PHE  42           HA       PHE  42  -0.903  28.726 -10.610
  323    HB2  PHE  42           HB2      PHE  42  -0.579  27.839 -12.884
  324    HB3  PHE  42           HB3      PHE  42  -0.805  26.579 -11.703
  325    HD1  PHE  42           HD2      PHE  42  -2.618  28.542 -14.361
  326    HD2  PHE  42           HD1      PHE  42  -2.403  24.885 -12.087
  327    HE1  PHE  42           HE2      PHE  42  -4.356  27.537 -15.811
  328    HE2  PHE  42           HE1      PHE  42  -4.149  23.885 -13.540
  329    HZ   PHE  42           HZ       PHE  42  -5.127  25.207 -15.403
  330    HA   PRO  43           HA       PRO  43   0.223  29.786 -12.947
  331    HB2  PRO  43           HB2      PRO  43   0.276  32.781 -12.580
  332    HB3  PRO  43           HB3      PRO  43   1.094  31.799 -13.825
  333    HG2  PRO  43           HG2      PRO  43  -1.147  33.188 -14.431
  334    HG3  PRO  43           HG3      PRO  43  -0.939  31.515 -15.043
  335    HD2  PRO  43           HD2      PRO  43  -2.540  32.454 -12.648
  336    HD3  PRO  43           HD3      PRO  43  -2.998  31.285 -13.922
  337    H    PHE  44           H        PHE  44   2.055  29.681 -11.476
  338    HA   PHE  44           HA       PHE  44   1.911  31.257  -9.015
  339    HB2  PHE  44           HB2      PHE  44   2.078  29.463  -7.459
  340    HB3  PHE  44           HB3      PHE  44   0.588  29.295  -8.355
  341    HD1  PHE  44           HD1      PHE  44   4.065  27.971  -8.057
  342    HD2  PHE  44           HD2      PHE  44   0.050  27.163  -9.347
  343    HE1  PHE  44           HE1      PHE  44   4.693  25.628  -8.446
  344    HE2  PHE  44           HE2      PHE  44   0.670  24.797  -9.752
  345    HZ   PHE  44           HZ       PHE  44   2.987  24.014  -9.311
  346    H    MET  45           H        MET  45   3.997  31.124  -7.784
  347    HA   MET  45           HA       MET  45   6.208  30.946  -9.742
  348    HB2  MET  45           HB2      MET  45   5.913  32.954  -8.272
  349    HB3  MET  45           HB3      MET  45   6.051  31.919  -6.841
  350    HG2  MET  45           HG2      MET  45   8.364  31.290  -7.593
  351    HG3  MET  45           HG3      MET  45   8.207  32.450  -8.916
  352    HE1  MET  45           HE1      MET  45  10.803  33.957  -6.394
  353    HE2  MET  45           HE2      MET  45  10.512  32.271  -6.899
  354    HE3  MET  45           HE3      MET  45  10.466  33.578  -8.101
  355    H    GLY  46           H        GLY  46   7.956  29.431  -9.517
  356    HA2  GLY  46           HA2      GLY  46   8.121  27.858  -7.062
  357    HA3  GLY  46           HA3      GLY  46   7.715  26.930  -8.514
  358    H    LYS  47           H        LYS  47   9.925  26.235  -7.286
  359    HA   LYS  47           HA       LYS  47  12.148  27.392  -8.908
  360    HB2  LYS  47           HB2      LYS  47  12.396  26.964  -6.296
  361    HB3  LYS  47           HB3      LYS  47  12.460  25.270  -6.738
  362    HG2  LYS  47           HG2      LYS  47  14.725  25.915  -6.670
  363    HG3  LYS  47           HG3      LYS  47  14.354  25.933  -8.387
  364    HD2  LYS  47           HD2      LYS  47  15.548  27.963  -8.063
  365    HD3  LYS  47           HD3      LYS  47  13.874  28.464  -8.095
  366    HE2  LYS  47           HE2      LYS  47  14.725  29.659  -6.302
  367    HE3  LYS  47           HE3      LYS  47  13.901  28.307  -5.522
  368    HZ1  LYS  47           HZ1      LYS  47  16.035  28.608  -4.526
  369    HZ2  LYS  47           HZ2      LYS  47  16.158  27.215  -5.381
  370    HZ3  LYS  47           HZ3      LYS  47  16.816  28.602  -5.951
  371    H    TRP  48           H        TRP  48  12.693  26.269 -10.689
  372    HA   TRP  48           HA       TRP  48  11.601  23.562 -11.183
  373    HB2  TRP  48           HB2      TRP  48  11.600  25.282 -13.000
  374    HB3  TRP  48           HB3      TRP  48  13.345  25.395 -12.890
  375    HD1  TRP  48           HD1      TRP  48  12.525  21.834 -12.595
  376    HE1  TRP  48           HE1      TRP  48  12.765  20.595 -14.770
  377    HE3  TRP  48           HE3      TRP  48  12.672  25.858 -15.754
  378    HZ2  TRP  48           HZ2      TRP  48  12.990  21.248 -17.609
  379    HZ3  TRP  48           HZ3      TRP  48  12.829  25.512 -18.204
  380    HH2  TRP  48           HH2      TRP  48  13.000  23.213 -19.139
  381    H    LYS  49           H        LYS  49  12.709  22.127  -9.940
  382    HA   LYS  49           HA       LYS  49  15.572  22.375  -9.336
  383    HB2  LYS  49           HB2      LYS  49  13.286  20.615  -8.322
  384    HB3  LYS  49           HB3      LYS  49  14.966  20.428  -7.819
  385    HG2  LYS  49           HG2      LYS  49  14.992  22.650  -6.817
  386    HG3  LYS  49           HG3      LYS  49  13.384  23.010  -7.451
  387    HD2  LYS  49           HD2      LYS  49  13.228  22.489  -5.107
  388    HD3  LYS  49           HD3      LYS  49  12.405  21.236  -6.054
  389    HE2  LYS  49           HE2      LYS  49  14.333  19.731  -5.789
  390    HE3  LYS  49           HE3      LYS  49  15.232  20.997  -4.935
  391    HZ1  LYS  49           HZ1      LYS  49  13.571  20.891  -3.169
  392    HZ2  LYS  49           HZ2      LYS  49  12.740  19.721  -3.957
  393    HZ3  LYS  49           HZ3      LYS  49  14.240  19.426  -3.399
  394    H    LYS  50           H        LYS  50  15.671  22.108 -11.809
  395    HA   LYS  50           HA       LYS  50  14.750  19.732 -13.122
  396    HB2  LYS  50           HB2      LYS  50  15.554  21.921 -14.217
  397    HB3  LYS  50           HB3      LYS  50  17.201  21.328 -13.959
  398    HG2  LYS  50           HG2      LYS  50  16.456  19.180 -15.202
  399    HG3  LYS  50           HG3      LYS  50  14.974  20.050 -15.617
  400    HD2  LYS  50           HD2      LYS  50  16.411  21.818 -16.716
  401    HD3  LYS  50           HD3      LYS  50  17.830  20.815 -16.332
  402    HE2  LYS  50           HE2      LYS  50  16.404  18.914 -17.543
  403    HE3  LYS  50           HE3      LYS  50  15.560  20.284 -18.276
  404    HZ1  LYS  50           HZ1      LYS  50  17.377  19.579 -19.662
  405    HZ2  LYS  50           HZ2      LYS  50  17.798  21.036 -19.054
  406    HZ3  LYS  50           HZ3      LYS  50  18.443  19.648 -18.427
  407    H    LYS  51           H        LYS  51  15.490  17.591 -12.901
  408    HA   LYS  51           HA       LYS  51  17.948  17.207 -11.386
  409    HB2  LYS  51           HB2      LYS  51  17.313  14.975 -11.132
  410    HB3  LYS  51           HB3      LYS  51  15.838  15.933 -10.970
  411    HG2  LYS  51           HG2      LYS  51  15.230  15.337 -13.326
  412    HG3  LYS  51           HG3      LYS  51  16.720  14.388 -13.442
  413    HD2  LYS  51           HD2      LYS  51  15.940  12.960 -11.532
  414    HD3  LYS  51           HD3      LYS  51  14.418  13.860 -11.531
  415    HE2  LYS  51           HE2      LYS  51  14.072  11.812 -12.749
  416    HE3  LYS  51           HE3      LYS  51  14.015  13.154 -13.893
  417    HZ1  LYS  51           HZ1      LYS  51  16.329  11.347 -13.472
  418    HZ2  LYS  51           HZ2      LYS  51  15.324  11.320 -14.750
  419    HZ3  LYS  51           HZ3      LYS  51  16.311  12.601 -14.527
  420    H    SER  52           H        SER  52  17.775  17.841 -14.621
  421    HA   SER  52           HA       SER  52  19.992  15.945 -15.243
  422    HB2  SER  52           HB2      SER  52  17.566  16.454 -17.000
  423    HB3  SER  52           HB3      SER  52  18.933  15.385 -17.348
  424    HG   SER  52           HG       SER  52  17.143  14.238 -16.565
  425    H    ARG  53           H        ARG  53  21.615  17.460 -15.359
  426    HA   ARG  53           HA       ARG  53  21.696  18.821 -17.895
  427    HB2  ARG  53           HB2      ARG  53  22.219  21.067 -17.207
  428    HB3  ARG  53           HB3      ARG  53  20.627  20.622 -16.651
  429    HG2  ARG  53           HG2      ARG  53  21.252  21.599 -14.746
  430    HG3  ARG  53           HG3      ARG  53  22.013  20.055 -14.378
  431    HD2  ARG  53           HD2      ARG  53  24.160  21.058 -15.478
  432    HD3  ARG  53           HD3      ARG  53  23.291  22.585 -15.523
  433    HE   ARG  53           HE       ARG  53  23.551  22.842 -13.240
  434   HH11  ARG  53          HH11      ARG  53  24.490  19.494 -14.055
  435   HH12  ARG  53          HH12      ARG  53  25.061  19.150 -12.463
  436   HH21  ARG  53          HH21      ARG  53  24.262  22.435 -11.267
  437   HH22  ARG  53          HH22      ARG  53  25.015  20.920 -10.804
  438    H    LYS  54           H        LYS  54  23.506  17.870 -18.554
  439    HA   LYS  54           HA       LYS  54  25.505  16.915 -18.716
  440    HB2  LYS  54           HB2      LYS  54  26.341  18.723 -16.415
  441    HB3  LYS  54           HB3      LYS  54  27.404  17.604 -17.235
  442    HG2  LYS  54           HG2      LYS  54  27.826  19.697 -18.178
  443    HG3  LYS  54           HG3      LYS  54  26.978  18.753 -19.403
  444    HD2  LYS  54           HD2      LYS  54  24.919  20.041 -19.027
  445    HD3  LYS  54           HD3      LYS  54  25.628  20.810 -17.600
  446    HE2  LYS  54           HE2      LYS  54  25.677  22.391 -19.405
  447    HE3  LYS  54           HE3      LYS  54  27.332  21.907 -19.037
  448    HZ1  LYS  54           HZ1      LYS  54  27.265  20.447 -20.980
  449    HZ2  LYS  54           HZ2      LYS  54  25.716  20.873 -21.302
  450    HZ3  LYS  54           HZ3      LYS  54  26.909  21.973 -21.415
  451    H    THR  55           H        THR  55  24.251  16.848 -15.377
  452    HA   THR  55           HA       THR  55  24.846  13.962 -15.194
  453    HB   THR  55           HB       THR  55  25.436  14.629 -12.700
  454    HG1  THR  55           HG1      THR  55  25.177  16.802 -12.676
  455   HG21  THR  55          HG21      THR  55  27.802  14.752 -13.215
  456   HG22  THR  55          HG22      THR  55  27.030  13.588 -14.302
  457   HG23  THR  55          HG23      THR  55  27.466  15.206 -14.898
  458    H    SER  56           H        SER  56  23.568  13.017 -13.347
  459    HA   SER  56           HA       SER  56  20.822  13.774 -13.379
  460    HB2  SER  56           HB2      SER  56  22.248  11.863 -11.498
  461    HB3  SER  56           HB3      SER  56  20.548  11.825 -11.999
  462    HG   SER  56           HG       SER  56  21.836  10.307 -13.142
  463    H    THR  57           H        THR  57  22.914  15.706 -12.055
  464    HA   THR  57           HA       THR  57  22.252  15.860  -9.238
  465    HB   THR  57           HB       THR  57  23.560  18.099  -9.665
  466    HG1  THR  57           HG1      THR  57  23.222  17.997 -11.965
  467   HG21  THR  57          HG21      THR  57  24.625  16.107  -8.658
  468   HG22  THR  57          HG22      THR  57  24.918  15.430 -10.276
  469   HG23  THR  57          HG23      THR  57  25.728  16.930  -9.775
  470    H    ILE  58           H        ILE  58  20.875  17.412  -8.277
  471    HA   ILE  58           HA       ILE  58  18.768  18.617  -9.886
  472    HB   ILE  58           HB       ILE  58  19.604  19.122  -7.011
  473   HG12  ILE  58          HG12      ILE  58  18.895  16.782  -7.324
  474   HG13  ILE  58          HG13      ILE  58  17.789  17.688  -6.309
  475   HG21  ILE  58          HG21      ILE  58  17.126  19.989  -8.550
  476   HG22  ILE  58          HG22      ILE  58  17.233  20.017  -6.775
  477   HG23  ILE  58          HG23      ILE  58  18.316  21.019  -7.740
  478   HD11  ILE  58          HD11      ILE  58  16.173  17.862  -8.179
  479   HD12  ILE  58          HD12      ILE  58  17.312  16.994  -9.235
  480   HD13  ILE  58          HD13      ILE  58  16.598  16.179  -7.838
  481    H    GLU  59           H        GLU  59  18.707  20.635 -10.690
  482    HA   GLU  59           HA       GLU  59  20.733  22.639  -9.913
  483    HB2  GLU  59           HB2      GLU  59  21.377  21.670 -12.124
  484    HB3  GLU  59           HB3      GLU  59  19.771  22.054 -12.756
  485    HG2  GLU  59           HG2      GLU  59  21.447  23.728 -13.443
  486    HG3  GLU  59           HG3      GLU  59  20.184  24.453 -12.457
  487    H    GLU  60           H        GLU  60  19.779  24.804 -10.013
  488    HA   GLU  60           HA       GLU  60  16.797  24.656  -9.721
  489    HB2  GLU  60           HB2      GLU  60  18.910  26.028  -8.022
  490    HB3  GLU  60           HB3      GLU  60  17.182  26.387  -7.929
  491    HG2  GLU  60           HG2      GLU  60  16.700  24.023  -7.406
  492    HG3  GLU  60           HG3      GLU  60  18.426  23.649  -7.462
  493    H    LYS  61           H        LYS  61  15.690  25.947 -11.034
  494    HA   LYS  61           HA       LYS  61  16.836  28.654 -11.670
  495    HB2  LYS  61           HB2      LYS  61  15.165  26.797 -13.426
  496    HB3  LYS  61           HB3      LYS  61  15.444  28.508 -13.772
  497    HG2  LYS  61           HG2      LYS  61  17.880  28.120 -13.859
  498    HG3  LYS  61           HG3      LYS  61  17.638  26.394 -13.556
  499    HD2  LYS  61           HD2      LYS  61  16.530  27.917 -15.955
  500    HD3  LYS  61           HD3      LYS  61  18.014  26.950 -15.957
  501    HE2  LYS  61           HE2      LYS  61  16.691  24.927 -15.330
  502    HE3  LYS  61           HE3      LYS  61  15.209  25.888 -15.386
  503    HZ1  LYS  61           HZ1      LYS  61  16.998  25.352 -17.687
  504    HZ2  LYS  61           HZ2      LYS  61  15.512  24.712 -17.447
  505    HZ3  LYS  61           HZ3      LYS  61  15.673  26.307 -17.750
  506    H    THR  62           H        THR  62  15.386  30.326 -11.258
  507    HA   THR  62           HA       THR  62  12.960  29.587  -9.752
  508    HB   THR  62           HB       THR  62  14.174  32.325 -10.302
  509    HG1  THR  62           HG1      THR  62  15.351  32.022  -8.471
  510   HG21  THR  62          HG21      THR  62  13.004  32.924  -8.207
  511   HG22  THR  62          HG22      THR  62  11.857  32.315  -9.413
  512   HG23  THR  62          HG23      THR  62  12.369  31.264  -8.074
  513    H    VAL  63           H        VAL  63  10.902  29.675 -10.650
  514    HA   VAL  63           HA       VAL  63  10.629  30.929 -13.311
  515    HB   VAL  63           HB       VAL  63   9.614  28.922 -14.214
  516   HG11  VAL  63          HG11      VAL  63  12.087  29.208 -14.480
  517   HG12  VAL  63          HG12      VAL  63  12.330  28.136 -13.090
  518   HG13  VAL  63          HG13      VAL  63  11.536  27.533 -14.555
  519   HG21  VAL  63          HG21      VAL  63   8.753  27.872 -12.119
  520   HG22  VAL  63          HG22      VAL  63   9.673  26.754 -13.124
  521   HG23  VAL  63          HG23      VAL  63  10.417  27.446 -11.670
  522    H    GLU  64           H        GLU  64   8.493  31.198 -13.996
  523    HA   GLU  64           HA       GLU  64   6.388  31.133 -11.853
  524    HB2  GLU  64           HB2      GLU  64   6.820  33.402 -12.770
  525    HB3  GLU  64           HB3      GLU  64   6.494  32.811 -14.401
  526    HG2  GLU  64           HG2      GLU  64   4.177  32.265 -13.775
  527    HG3  GLU  64           HG3      GLU  64   4.511  32.644 -12.085
  528    H    VAL  65           H        VAL  65   5.078  29.375 -12.107
  529    HA   VAL  65           HA       VAL  65   5.078  27.917 -14.652
  530    HB   VAL  65           HB       VAL  65   4.022  26.198 -13.696
  531   HG11  VAL  65          HG11      VAL  65   5.391  27.269 -11.202
  532   HG12  VAL  65          HG12      VAL  65   5.123  25.575 -11.647
  533   HG13  VAL  65          HG13      VAL  65   6.252  26.564 -12.587
  534   HG21  VAL  65          HG21      VAL  65   2.705  26.030 -11.712
  535   HG22  VAL  65          HG22      VAL  65   2.871  27.770 -11.414
  536   HG23  VAL  65          HG23      VAL  65   1.996  27.166 -12.845
  537    H    LEU  66           H        LEU  66   3.588  28.275 -16.220
  538    HA   LEU  66           HA       LEU  66   1.558  30.356 -15.719
  539    HB2  LEU  66           HB2      LEU  66   2.106  28.794 -18.273
  540    HB3  LEU  66           HB3      LEU  66   1.119  30.226 -18.087
  541    HG   LEU  66           HG       LEU  66   3.028  31.055 -19.053
  542   HD11  LEU  66          HD11      LEU  66   2.458  32.373 -17.005
  543   HD12  LEU  66          HD12      LEU  66   3.692  31.461 -16.100
  544   HD13  LEU  66          HD13      LEU  66   4.167  32.488 -17.461
  545   HD21  LEU  66          HD21      LEU  66   4.887  29.596 -17.153
  546   HD22  LEU  66          HD22      LEU  66   4.393  28.961 -18.740
  547   HD23  LEU  66          HD23      LEU  66   5.285  30.480 -18.629
  548    H    GLY  67           H        GLY  67   1.720  26.828 -15.948
  549    HA2  GLY  67           HA2      GLY  67  -0.552  26.203 -14.678
  550    HA3  GLY  67           HA3      GLY  67  -1.109  26.419 -16.355
  551    H    MET  68           H        MET  68  -1.485  24.032 -15.640
  552    HA   MET  68           HA       MET  68   0.681  22.132 -15.939
  553    HB2  MET  68           HB2      MET  68  -2.318  21.905 -16.461
  554    HB3  MET  68           HB3      MET  68  -1.189  20.554 -16.560
  555    HG2  MET  68           HG2      MET  68  -1.619  22.202 -14.042
  556    HG3  MET  68           HG3      MET  68  -2.496  20.724 -14.407
  557    HE1  MET  68           HE1      MET  68  -1.647  18.358 -14.235
  558    HE2  MET  68           HE2      MET  68  -0.457  18.621 -15.536
  559    HE3  MET  68           HE3      MET  68   0.052  17.885 -14.004
  560    H    ALA  69           H        ALA  69   1.240  20.940 -17.790
  561    HA   ALA  69           HA       ALA  69   1.279  22.380 -20.298
  562    HB1  ALA  69           HB1      ALA  69   3.051  20.784 -19.516
  563    HB2  ALA  69           HB2      ALA  69   1.870  19.456 -19.707
  564    HB3  ALA  69           HB3      ALA  69   2.425  20.371 -21.114
  565    HA   PRO  70           HA       PRO  70  -2.432  20.922 -22.328
  566    HB2  PRO  70           HB2      PRO  70  -0.638  19.521 -24.325
  567    HB3  PRO  70           HB3      PRO  70  -2.090  20.527 -24.633
  568    HG2  PRO  70           HG2      PRO  70   0.376  21.587 -24.964
  569    HG3  PRO  70           HG3      PRO  70  -0.890  22.538 -24.116
  570    HD2  PRO  70           HD2      PRO  70   1.363  20.915 -22.927
  571    HD3  PRO  70           HD3      PRO  70   0.794  22.550 -22.469
  572    H    ASP  71           H        ASP  71  -3.754  19.050 -22.527
  573    HA   ASP  71           HA       ASP  71  -3.195  16.820 -20.926
  574    HB2  ASP  71           HB2      ASP  71  -5.181  15.894 -21.675
  575    HB3  ASP  71           HB3      ASP  71  -5.466  17.627 -21.778
  576    H    ASP  72           H        ASP  72  -2.445  17.410 -24.334
  577    HA   ASP  72           HA       ASP  72  -1.910  14.740 -25.132
  578    HB2  ASP  72           HB2      ASP  72  -2.204  16.590 -26.717
  579    HB3  ASP  72           HB3      ASP  72  -0.734  17.367 -26.117
  580    H    GLU  73           H        GLU  73   0.010  17.046 -23.293
  581    HA   GLU  73           HA       GLU  73   2.464  15.389 -23.423
  582    HB2  GLU  73           HB2      GLU  73   1.771  17.827 -21.716
  583    HB3  GLU  73           HB3      GLU  73   3.326  17.014 -21.750
  584    HG2  GLU  73           HG2      GLU  73   2.015  18.515 -24.052
  585    HG3  GLU  73           HG3      GLU  73   3.363  19.069 -23.068
  586    H    CYS  74           H        CYS  74  -0.155  16.347 -21.183
  587    HA   CYS  74           HA       CYS  74   0.918  14.894 -19.001
  588    HB2  CYS  74           HB2      CYS  74  -1.850  16.098 -19.343
  589    HB3  CYS  74           HB3      CYS  74  -1.132  15.538 -17.826
  590    HG   CYS  74           HG       CYS  74  -0.286  18.003 -19.831
  591    H    LEU  75           H        LEU  75  -0.087  13.355 -21.532
  592    HA   LEU  75           HA       LEU  75  -1.742  11.222 -20.308
  593    HB2  LEU  75           HB2      LEU  75  -0.387  11.647 -23.003
  594    HB3  LEU  75           HB3      LEU  75  -1.045  10.078 -22.559
  595    HG   LEU  75           HG       LEU  75  -2.781  12.563 -22.473
  596   HD11  LEU  75          HD11      LEU  75  -2.382  10.697 -24.845
  597   HD12  LEU  75          HD12      LEU  75  -3.576  12.012 -24.724
  598   HD13  LEU  75          HD13      LEU  75  -1.848  12.388 -24.748
  599   HD21  LEU  75          HD21      LEU  75  -4.616  10.997 -22.668
  600   HD22  LEU  75          HD22      LEU  75  -3.487   9.642 -22.875
  601   HD23  LEU  75          HD23      LEU  75  -3.594  10.486 -21.318
  602    H    LYS  76           H        LYS  76   1.605  12.125 -20.868
  603    HA   LYS  76           HA       LYS  76   2.647   9.386 -20.577
  604    HB2  LYS  76           HB2      LYS  76   4.016  12.088 -20.858
  605    HB3  LYS  76           HB3      LYS  76   4.847  10.536 -20.845
  606    HG2  LYS  76           HG2      LYS  76   3.784   9.844 -22.903
  607    HG3  LYS  76           HG3      LYS  76   2.727  11.260 -22.925
  608    HD2  LYS  76           HD2      LYS  76   5.768  11.418 -23.076
  609    HD3  LYS  76           HD3      LYS  76   4.690  11.397 -24.483
  610    HE2  LYS  76           HE2      LYS  76   3.537  13.430 -23.646
  611    HE3  LYS  76           HE3      LYS  76   4.627  13.492 -22.258
  612    HZ1  LYS  76           HZ1      LYS  76   6.462  13.871 -23.753
  613    HZ2  LYS  76           HZ2      LYS  76   5.506  13.718 -25.076
  614    HZ3  LYS  76           HZ3      LYS  76   5.287  14.979 -24.058
  615    H    ASP  77           H        ASP  77   2.777  12.509 -18.818
  616    HA   ASP  77           HA       ASP  77   3.236  11.361 -16.196
  617    HB2  ASP  77           HB2      ASP  77   5.477  11.079 -17.326
  618    HB3  ASP  77           HB3      ASP  77   5.478  12.802 -17.695
  619    H    MET  78           H        MET  78   3.601  13.395 -14.642
  620    HA   MET  78           HA       MET  78   1.842  15.555 -15.594
  621    HB2  MET  78           HB2      MET  78   3.281  14.916 -13.019
  622    HB3  MET  78           HB3      MET  78   2.545  16.497 -13.267
  623    HG2  MET  78           HG2      MET  78   1.162  14.794 -12.069
  624    HG3  MET  78           HG3      MET  78   0.384  15.689 -13.367
  625    HE1  MET  78           HE1      MET  78   0.251  14.267 -16.075
  626    HE2  MET  78           HE2      MET  78  -0.975  13.051 -15.706
  627    HE3  MET  78           HE3      MET  78  -1.118  14.680 -15.015
  628    H    TYR  79           H        TYR  79   2.358  17.512 -16.409
  629    HA   TYR  79           HA       TYR  79   5.095  18.584 -16.084
  630    HB2  TYR  79           HB2      TYR  79   3.643  18.544 -18.742
  631    HB3  TYR  79           HB3      TYR  79   5.243  19.169 -18.435
  632    HD1  TYR  79           HD2      TYR  79   7.191  17.615 -18.299
  633    HD2  TYR  79           HD1      TYR  79   3.186  16.223 -19.089
  634    HE1  TYR  79           HE2      TYR  79   8.109  15.507 -19.227
  635    HE2  TYR  79           HE1      TYR  79   4.087  14.127 -19.997
  636    HH   TYR  79           HH       TYR  79   7.583  13.402 -20.207
  637    H    VAL  80           H        VAL  80   5.241  20.819 -16.631
  638    HA   VAL  80           HA       VAL  80   2.744  22.417 -16.572
  639    HB   VAL  80           HB       VAL  80   4.028  23.894 -14.867
  640   HG11  VAL  80          HG11      VAL  80   1.944  22.774 -14.314
  641   HG12  VAL  80          HG12      VAL  80   2.809  21.262 -13.949
  642   HG13  VAL  80          HG13      VAL  80   3.052  22.721 -12.952
  643   HG21  VAL  80          HG21      VAL  80   5.367  21.234 -14.169
  644   HG22  VAL  80          HG22      VAL  80   6.182  22.632 -14.899
  645   HG23  VAL  80          HG23      VAL  80   5.484  22.767 -13.278
  646    H    GLU  81           H        GLU  81   2.969  24.422 -17.511
  647    HA   GLU  81           HA       GLU  81   5.346  24.831 -19.249
  648    HB2  GLU  81           HB2      GLU  81   2.693  26.321 -18.992
  649    HB3  GLU  81           HB3      GLU  81   4.033  26.823 -20.035
  650    HG2  GLU  81           HG2      GLU  81   3.917  24.613 -21.209
  651    HG3  GLU  81           HG3      GLU  81   2.500  24.202 -20.242
  652    H    VAL  82           H        VAL  82   6.878  26.411 -18.699
  653    HA   VAL  82           HA       VAL  82   6.366  28.056 -16.284
  654    HB   VAL  82           HB       VAL  82   8.365  27.373 -15.211
  655   HG11  VAL  82          HG11      VAL  82   7.878  25.131 -14.523
  656   HG12  VAL  82          HG12      VAL  82   6.337  25.935 -14.852
  657   HG13  VAL  82          HG13      VAL  82   7.004  24.782 -16.021
  658   HG21  VAL  82          HG21      VAL  82   9.809  25.515 -15.984
  659   HG22  VAL  82          HG22      VAL  82   8.924  25.469 -17.523
  660   HG23  VAL  82          HG23      VAL  82   9.878  26.904 -17.066
  661    H    ALA  83           H        ALA  83   7.547  29.984 -16.159
  662    HA   ALA  83           HA       ALA  83   9.083  30.756 -18.607
  663    HB1  ALA  83           HB1      ALA  83   6.964  31.985 -18.480
  664    HB2  ALA  83           HB2      ALA  83   7.289  32.427 -16.787
  665    HB3  ALA  83           HB3      ALA  83   8.309  33.066 -18.094
  666    H    ASP  84           H        ASP  84  11.095  31.539 -18.229
  667    HA   ASP  84           HA       ASP  84  12.199  31.044 -15.567
  668    HB2  ASP  84           HB2      ASP  84  13.267  30.191 -17.606
  669    HB3  ASP  84           HB3      ASP  84  13.465  31.832 -18.224
  670    H    ILE  85           H        ILE  85  11.405  32.644 -14.294
  671    HA   ILE  85           HA       ILE  85  11.250  35.385 -14.730
  672    HB   ILE  85           HB       ILE  85  11.957  34.037 -12.109
  673   HG12  ILE  85          HG12      ILE  85   9.173  34.692 -13.180
  674   HG13  ILE  85          HG13      ILE  85   9.882  33.083 -13.158
  675   HG21  ILE  85          HG21      ILE  85  10.971  36.020 -11.042
  676   HG22  ILE  85          HG22      ILE  85  12.236  36.543 -12.132
  677   HG23  ILE  85          HG23      ILE  85  10.535  36.691 -12.627
  678   HD11  ILE  85          HD11      ILE  85   8.440  33.258 -11.238
  679   HD12  ILE  85          HD12      ILE  85  10.109  33.233 -10.660
  680   HD13  ILE  85          HD13      ILE  85   9.190  34.759 -10.714
  681    H    GLY  86           H        GLY  86  12.808  36.717 -15.423
  682    HA2  GLY  86           HA2      GLY  86  14.616  38.122 -15.144
  683    HA3  GLY  86           HA3      GLY  86  15.248  37.074 -13.866
  684    H    GLY  87           H        GLY  87  15.046  34.637 -15.620
  685    HA2  GLY  87           HA2      GLY  87  17.624  34.867 -16.988
  686    HA3  GLY  87           HA3      GLY  87  16.592  33.439 -16.868
  687    H    LYS  88           H        LYS  88  14.177  34.742 -17.866
  688    HA   LYS  88           HA       LYS  88  14.870  35.771 -20.574
  689    HB2  LYS  88           HB2      LYS  88  12.845  33.561 -19.959
  690    HB3  LYS  88           HB3      LYS  88  12.904  34.464 -21.466
  691    HG2  LYS  88           HG2      LYS  88  15.153  32.682 -20.436
  692    HG3  LYS  88           HG3      LYS  88  13.920  32.208 -21.597
  693    HD2  LYS  88           HD2      LYS  88  14.718  34.162 -23.082
  694    HD3  LYS  88           HD3      LYS  88  16.075  34.316 -21.962
  695    HE2  LYS  88           HE2      LYS  88  16.994  32.941 -23.575
  696    HE3  LYS  88           HE3      LYS  88  16.450  31.769 -22.371
  697    HZ1  LYS  88           HZ1      LYS  88  14.428  31.437 -23.797
  698    HZ2  LYS  88           HZ2      LYS  88  15.063  32.472 -24.896
  699    HZ3  LYS  88           HZ3      LYS  88  15.821  31.073 -24.571
  700    H    ASP  89           H        ASP  89  12.264  35.108 -18.187
  701    HA   ASP  89           HA       ASP  89  10.313  36.066 -17.733
  702    HB2  ASP  89           HB2      ASP  89  11.938  37.635 -16.689
  703    HB3  ASP  89           HB3      ASP  89  11.807  38.680 -18.101
  704    H    ASP  90           H        ASP  90  10.957  35.689 -20.719
  705    HA   ASP  90           HA       ASP  90   8.619  37.076 -21.853
  706    HB2  ASP  90           HB2      ASP  90  10.570  38.680 -21.952
  707    HB3  ASP  90           HB3      ASP  90  11.451  37.485 -22.902
  708    H    ASP  91           H        ASP  91   9.837  34.234 -21.361
  709    HA   ASP  91           HA       ASP  91   9.248  33.041 -23.955
  710    HB2  ASP  91           HB2      ASP  91  11.667  33.627 -24.159
  711    HB3  ASP  91           HB3      ASP  91  11.974  32.777 -22.643
  712    H    VAL  92           H        VAL  92   9.141  30.614 -23.643
  713    HA   VAL  92           HA       VAL  92   8.516  29.897 -20.834
  714    HB   VAL  92           HB       VAL  92   6.640  29.611 -23.198
  715   HG11  VAL  92          HG11      VAL  92   6.255  28.843 -20.282
  716   HG12  VAL  92          HG12      VAL  92   4.957  28.892 -21.495
  717   HG13  VAL  92          HG13      VAL  92   6.281  27.750 -21.682
  718   HG21  VAL  92          HG21      VAL  92   5.148  31.176 -21.927
  719   HG22  VAL  92          HG22      VAL  92   6.472  31.450 -20.774
  720   HG23  VAL  92          HG23      VAL  92   6.632  31.945 -22.473
  721    H    TYR  93           H        TYR  93   8.604  27.780 -20.414
  722    HA   TYR  93           HA       TYR  93   9.741  25.845 -22.368
  723    HB2  TYR  93           HB2      TYR  93  10.494  26.287 -19.441
  724    HB3  TYR  93           HB3      TYR  93  11.168  25.063 -20.495
  725    HD1  TYR  93           HD1      TYR  93  11.161  28.669 -19.658
  726    HD2  TYR  93           HD2      TYR  93  12.869  25.594 -22.162
  727    HE1  TYR  93           HE1      TYR  93  13.028  30.194 -20.257
  728    HE2  TYR  93           HE2      TYR  93  14.741  27.099 -22.747
  729    HH   TYR  93           HH       TYR  93  15.735  29.155 -22.386
  730    H    THR  94           H        THR  94   9.654  23.619 -21.120
  731    HA   THR  94           HA       THR  94   7.161  23.346 -19.504
  732    HB   THR  94           HB       THR  94   7.988  21.298 -21.585
  733    HG1  THR  94           HG1      THR  94   7.361  23.195 -22.641
  734   HG21  THR  94          HG21      THR  94   5.393  21.742 -20.042
  735   HG22  THR  94          HG22      THR  94   5.671  20.489 -21.274
  736   HG23  THR  94          HG23      THR  94   6.583  20.450 -19.758
  737    H    ALA  95           H        ALA  95   7.427  22.127 -17.739
  738    HA   ALA  95           HA       ALA  95  10.014  20.708 -17.282
  739    HB1  ALA  95           HB1      ALA  95   8.480  22.541 -15.369
  740    HB2  ALA  95           HB2      ALA  95   9.912  21.586 -14.952
  741    HB3  ALA  95           HB3      ALA  95  10.039  22.911 -16.132
  742    H    LYS  96           H        LYS  96   9.746  18.944 -15.713
  743    HA   LYS  96           HA       LYS  96   7.102  17.642 -15.799
  744    HB2  LYS  96           HB2      LYS  96   9.577  16.971 -14.170
  745    HB3  LYS  96           HB3      LYS  96   8.174  15.931 -14.420
  746    HG2  LYS  96           HG2      LYS  96   8.676  15.650 -16.770
  747    HG3  LYS  96           HG3      LYS  96   9.991  16.823 -16.714
  748    HD2  LYS  96           HD2      LYS  96   9.918  14.182 -15.221
  749    HD3  LYS  96           HD3      LYS  96  10.813  14.479 -16.711
  750    HE2  LYS  96           HE2      LYS  96  11.276  16.068 -14.153
  751    HE3  LYS  96           HE3      LYS  96  12.123  14.561 -14.484
  752    HZ1  LYS  96           HZ1      LYS  96  13.317  16.628 -15.069
  753    HZ2  LYS  96           HZ2      LYS  96  13.200  15.568 -16.331
  754    HZ3  LYS  96           HZ3      LYS  96  12.261  16.909 -16.287
  755    H    LEU  97           H        LEU  97   5.656  17.787 -14.031
  756    HA   LEU  97           HA       LEU  97   6.019  19.867 -12.065
  757    HB2  LEU  97           HB2      LEU  97   3.780  18.905 -12.718
  758    HB3  LEU  97           HB3      LEU  97   4.227  17.416 -11.870
  759    HG   LEU  97           HG       LEU  97   4.410  18.704  -9.725
  760   HD11  LEU  97          HD11      LEU  97   4.935  20.960 -10.520
  761   HD12  LEU  97          HD12      LEU  97   3.410  21.027 -11.434
  762   HD13  LEU  97          HD13      LEU  97   3.398  21.015  -9.668
  763   HD21  LEU  97          HD21      LEU  97   2.013  19.036  -9.406
  764   HD22  LEU  97          HD22      LEU  97   1.763  19.058 -11.167
  765   HD23  LEU  97          HD23      LEU  97   2.330  17.576 -10.354
  766    H    SER  98           H        SER  98   6.907  16.479 -12.291
  767    HA   SER  98           HA       SER  98   7.688  15.795  -9.719
  768    HB2  SER  98           HB2      SER  98   9.062  15.129 -12.352
  769    HB3  SER  98           HB3      SER  98   8.963  14.120 -10.911
  770    HG   SER  98           HG       SER  98   7.389  13.612 -12.606
  771    H    ASP  99           H        ASP  99   9.219  18.060 -11.918
  772    HA   ASP  99           HA       ASP  99  11.724  18.145 -10.288
  773    HB2  ASP  99           HB2      ASP  99  11.161  18.577 -13.228
  774    HB3  ASP  99           HB3      ASP  99  12.439  19.501 -12.476
  775    H    ILE 100           H        ILE 100   8.850  19.515 -10.048
  776    HA   ILE 100           HA       ILE 100   9.915  22.289  -9.747
  777    HB   ILE 100           HB       ILE 100   7.356  21.212 -10.868
  778   HG12  ILE 100          HG12      ILE 100   9.455  22.193 -12.083
  779   HG13  ILE 100          HG13      ILE 100   7.828  22.529 -12.671
  780   HG21  ILE 100          HG21      ILE 100   6.394  22.528  -9.094
  781   HG22  ILE 100          HG22      ILE 100   7.425  23.920  -9.484
  782   HG23  ILE 100          HG23      ILE 100   6.181  23.369 -10.629
  783   HD11  ILE 100          HD11      ILE 100   9.378  24.461 -12.716
  784   HD12  ILE 100          HD12      ILE 100   7.893  24.769 -11.805
  785   HD13  ILE 100          HD13      ILE 100   9.415  24.447 -10.939
  786    H    GLU 101           H        GLU 101   9.403  23.361  -7.988
  787    HA   GLU 101           HA       GLU 101   7.687  22.117  -5.938
  788    HB2  GLU 101           HB2      GLU 101  10.014  21.555  -5.268
  789    HB3  GLU 101           HB3      GLU 101  10.473  23.253  -5.398
  790    HG2  GLU 101           HG2      GLU 101  10.088  22.609  -3.058
  791    HG3  GLU 101           HG3      GLU 101   8.953  23.849  -3.558
  792    H    ALA 102           H        ALA 102   6.387  23.706  -4.957
  793    HA   ALA 102           HA       ALA 102   6.300  26.234  -6.478
  794    HB1  ALA 102           HB1      ALA 102   4.478  25.101  -4.319
  795    HB2  ALA 102           HB2      ALA 102   4.241  26.640  -5.185
  796    HB3  ALA 102           HB3      ALA 102   4.175  25.135  -6.078
  797    H    ILE 103           H        ILE 103   6.330  28.274  -5.516
  798    HA   ILE 103           HA       ILE 103   7.542  28.485  -2.790
  799    HB   ILE 103           HB       ILE 103   7.916  30.196  -5.273
  800   HG12  ILE 103          HG12      ILE 103  10.046  28.620  -3.752
  801   HG13  ILE 103          HG13      ILE 103   9.216  27.968  -5.154
  802   HG21  ILE 103          HG21      ILE 103   9.130  30.546  -2.495
  803   HG22  ILE 103          HG22      ILE 103   9.498  31.537  -3.925
  804   HG23  ILE 103          HG23      ILE 103   7.890  31.591  -3.218
  805   HD11  ILE 103          HD11      ILE 103  10.008  29.913  -6.522
  806   HD12  ILE 103          HD12      ILE 103  11.011  30.417  -5.138
  807   HD13  ILE 103          HD13      ILE 103  11.287  28.856  -5.918
  808    H    ASP 104           H        ASP 104   6.401  29.593  -1.378
  809    HA   ASP 104           HA       ASP 104   4.720  30.662  -0.367
  810    HB2  ASP 104           HB2      ASP 104   6.293  32.412  -1.083
  811    HB3  ASP 104           HB3      ASP 104   5.322  32.696  -2.528
  812    H    VAL 105           H        VAL 105   3.590  28.725  -2.025
  813    HA   VAL 105           HA       VAL 105   1.346  30.042  -3.423
  814    HB   VAL 105           HB       VAL 105   2.869  28.259  -4.434
  815   HG11  VAL 105          HG11      VAL 105   1.105  26.368  -2.866
  816   HG12  VAL 105          HG12      VAL 105   2.152  25.915  -4.197
  817   HG13  VAL 105          HG13      VAL 105   2.854  26.550  -2.693
  818   HG21  VAL 105          HG21      VAL 105  -0.085  27.819  -4.771
  819   HG22  VAL 105          HG22      VAL 105   0.824  29.185  -5.439
  820   HG23  VAL 105          HG23      VAL 105   1.248  27.545  -5.918
  821    H    ASP 106           H        ASP 106  -0.809  28.632  -3.263
  822    HA   ASP 106           HA       ASP 106  -1.696  28.893  -0.512
  823    HB2  ASP 106           HB2      ASP 106  -3.674  29.154  -1.415
  824    HB3  ASP 106           HB3      ASP 106  -2.958  29.030  -3.019
  825    H    ASP 107           H        ASP 107  -2.771  27.174   0.651
  826    HA   ASP 107           HA       ASP 107  -1.045  25.031   1.051
  827    HB2  ASP 107           HB2      ASP 107  -2.545  25.896   2.773
  828    HB3  ASP 107           HB3      ASP 107  -3.957  25.364   1.854
  829    H    ASP 108           H        ASP 108  -4.032  25.124  -0.993
  830    HA   ASP 108           HA       ASP 108  -4.166  22.240  -1.117
  831    HB2  ASP 108           HB2      ASP 108  -6.035  24.069  -1.391
  832    HB3  ASP 108           HB3      ASP 108  -5.519  24.100  -3.080
  833    H    THR 109           H        THR 109  -2.900  24.840  -3.244
  834    HA   THR 109           HA       THR 109  -2.015  23.211  -5.409
  835    HB   THR 109           HB       THR 109  -0.741  25.784  -4.296
  836    HG1  THR 109           HG1      THR 109  -2.905  26.126  -4.667
  837   HG21  THR 109          HG21      THR 109  -0.229  26.164  -6.723
  838   HG22  THR 109          HG22      THR 109   0.671  24.808  -6.020
  839   HG23  THR 109          HG23      THR 109  -0.739  24.531  -7.072
  840    H    GLN 110           H        GLN 110  -0.341  24.222  -2.346
  841    HA   GLN 110           HA       GLN 110   2.044  22.847  -3.013
  842    HB2  GLN 110           HB2      GLN 110   1.850  24.680  -1.345
  843    HB3  GLN 110           HB3      GLN 110   0.949  23.608  -0.274
  844    HG2  GLN 110           HG2      GLN 110   3.285  23.812   0.380
  845    HG3  GLN 110           HG3      GLN 110   2.899  22.143  -0.050
  846   HE21  GLN 110          HE22      GLN 110   3.852  21.243  -2.053
  847   HE22  GLN 110          HE21      GLN 110   5.287  22.034  -2.740
  848    H    GLU 111           H        GLU 111  -0.883  21.773  -1.219
  849    HA   GLU 111           HA       GLU 111   0.164  19.241  -0.446
  850    HB2  GLU 111           HB2      GLU 111  -2.641  20.329  -0.852
  851    HB3  GLU 111           HB3      GLU 111  -2.381  18.637  -0.441
  852    HG2  GLU 111           HG2      GLU 111  -1.262  20.919   1.227
  853    HG3  GLU 111           HG3      GLU 111  -2.840  20.185   1.506
  854    H    ALA 112           H        ALA 112  -1.583  20.235  -3.467
  855    HA   ALA 112           HA       ALA 112  -1.740  17.586  -4.510
  856    HB1  ALA 112           HB1      ALA 112  -2.018  18.739  -6.693
  857    HB2  ALA 112           HB2      ALA 112  -3.032  19.434  -5.414
  858    HB3  ALA 112           HB3      ALA 112  -1.553  20.276  -5.924
  859    H    ILE 113           H        ILE 113   0.841  20.061  -4.659
  860    HA   ILE 113           HA       ILE 113   2.537  18.627  -6.477
  861    HB   ILE 113           HB       ILE 113   3.021  20.796  -4.418
  862   HG12  ILE 113          HG12      ILE 113   3.113  21.007  -7.448
  863   HG13  ILE 113          HG13      ILE 113   1.595  21.147  -6.574
  864   HG21  ILE 113          HG21      ILE 113   5.006  19.667  -6.436
  865   HG22  ILE 113          HG22      ILE 113   5.229  21.183  -5.539
  866   HG23  ILE 113          HG23      ILE 113   5.146  19.662  -4.660
  867   HD11  ILE 113          HD11      ILE 113   2.413  23.349  -6.940
  868   HD12  ILE 113          HD12      ILE 113   2.525  22.996  -5.211
  869   HD13  ILE 113          HD13      ILE 113   3.992  22.943  -6.226
  870    H    ALA 114           H        ALA 114   2.531  18.844  -2.865
  871    HA   ALA 114           HA       ALA 114   4.691  17.067  -2.446
  872    HB1  ALA 114           HB1      ALA 114   3.786  16.878  -0.160
  873    HB2  ALA 114           HB2      ALA 114   3.783  18.568  -0.700
  874    HB3  ALA 114           HB3      ALA 114   2.266  17.637  -0.677
  875    H    ASP 115           H        ASP 115   1.161  16.500  -2.645
  876    HA   ASP 115           HA       ASP 115   1.180  13.717  -2.154
  877    HB2  ASP 115           HB2      ASP 115  -0.831  15.086  -2.038
  878    HB3  ASP 115           HB3      ASP 115  -0.738  15.416  -3.777
  879    H    TRP 116           H        TRP 116   1.448  15.527  -5.243
  880    HA   TRP 116           HA       TRP 116   1.524  13.247  -6.957
  881    HB2  TRP 116           HB2      TRP 116   1.232  15.432  -7.930
  882    HB3  TRP 116           HB3      TRP 116   2.729  16.032  -7.218
  883    HD1  TRP 116           HD1      TRP 116   4.746  16.025  -8.785
  884    HE1  TRP 116           HE1      TRP 116   5.571  14.635 -10.792
  885    HE3  TRP 116           HE3      TRP 116   0.770  12.819  -9.232
  886    HZ2  TRP 116           HZ2      TRP 116   4.695  12.324 -12.243
  887    HZ3  TRP 116           HZ3      TRP 116   0.811  11.012 -10.929
  888    HH2  TRP 116           HH2      TRP 116   2.775  10.745 -12.428
  889    H    LEU 117           H        LEU 117   4.095  14.995  -5.155
  890    HA   LEU 117           HA       LEU 117   6.229  13.429  -6.254
  891    HB2  LEU 117           HB2      LEU 117   6.041  15.141  -3.753
  892    HB3  LEU 117           HB3      LEU 117   7.522  14.340  -4.260
  893    HG   LEU 117           HG       LEU 117   6.017  16.301  -6.053
  894   HD11  LEU 117          HD11      LEU 117   8.387  16.834  -4.217
  895   HD12  LEU 117          HD12      LEU 117   7.687  17.974  -5.392
  896   HD13  LEU 117          HD13      LEU 117   6.729  17.444  -4.004
  897   HD21  LEU 117          HD21      LEU 117   7.510  14.828  -7.311
  898   HD22  LEU 117          HD22      LEU 117   8.181  16.458  -7.239
  899   HD23  LEU 117          HD23      LEU 117   8.847  15.185  -6.194
  900    H    TYR 118           H        TYR 118   4.145  12.956  -3.332
  901    HA   TYR 118           HA       TYR 118   5.584  10.693  -2.350
  902    HB2  TYR 118           HB2      TYR 118   2.558  10.940  -2.300
  903    HB3  TYR 118           HB3      TYR 118   3.572  10.006  -1.227
  904    HD1  TYR 118           HD2      TYR 118   5.576  12.493  -0.692
  905    HD2  TYR 118           HD1      TYR 118   1.302  11.883  -0.566
  906    HE1  TYR 118           HE2      TYR 118   5.363  14.317   0.957
  907    HE2  TYR 118           HE1      TYR 118   1.069  13.718   1.054
  908    HH   TYR 118           HH       TYR 118   3.913  15.559   2.301
  909    H    TRP 119           H        TRP 119   2.739  10.850  -4.571
  910    HA   TRP 119           HA       TRP 119   2.526   8.061  -4.975
  911    HB2  TRP 119           HB2      TRP 119   0.736   9.594  -5.361
  912    HB3  TRP 119           HB3      TRP 119   1.681  10.530  -6.514
  913    HD1  TRP 119           HD1      TRP 119   1.847   9.721  -8.954
  914    HE1  TRP 119           HE1      TRP 119   0.648   7.946 -10.362
  915    HE3  TRP 119           HE3      TRP 119  -0.436   7.123  -5.192
  916    HZ2  TRP 119           HZ2      TRP 119  -1.385   5.874  -9.914
  917    HZ3  TRP 119           HZ3      TRP 119  -1.971   5.245  -5.701
  918    HH2  TRP 119           HH2      TRP 119  -2.454   4.620  -8.057
  919    H    LEU 120           H        LEU 120   4.314  10.569  -6.817
  920    HA   LEU 120           HA       LEU 120   5.281   8.882  -8.863
  921    HB2  LEU 120           HB2      LEU 120   5.365  11.368  -8.872
  922    HB3  LEU 120           HB3      LEU 120   6.538  11.331  -7.552
  923    HG   LEU 120           HG       LEU 120   8.130  10.063  -9.054
  924   HD11  LEU 120          HD11      LEU 120   7.607  10.141 -11.528
  925   HD12  LEU 120          HD12      LEU 120   6.579   9.027 -10.622
  926   HD13  LEU 120          HD13      LEU 120   5.942  10.608 -11.108
  927   HD21  LEU 120          HD21      LEU 120   7.095  12.744 -10.018
  928   HD22  LEU 120          HD22      LEU 120   8.318  12.473  -8.762
  929   HD23  LEU 120          HD23      LEU 120   8.675  12.029 -10.439
  930    H    ALA 121           H        ALA 121   6.729   9.789  -5.671
  931    HA   ALA 121           HA       ALA 121   9.107   8.266  -6.005
  932    HB1  ALA 121           HB1      ALA 121   7.669   9.207  -3.494
  933    HB2  ALA 121           HB2      ALA 121   9.331   8.580  -3.545
  934    HB3  ALA 121           HB3      ALA 121   8.929  10.091  -4.386
  935    H    ARG 122           H        ARG 122   5.843   7.227  -5.235
  936    HA   ARG 122           HA       ARG 122   6.650   4.720  -3.918
  937    HB2  ARG 122           HB2      ARG 122   4.059   5.580  -5.274
  938    HB3  ARG 122           HB3      ARG 122   4.265   4.031  -4.489
  939    HG2  ARG 122           HG2      ARG 122   4.660   6.596  -2.959
  940    HG3  ARG 122           HG3      ARG 122   3.052   5.960  -3.240
  941    HD2  ARG 122           HD2      ARG 122   5.263   4.316  -1.967
  942    HD3  ARG 122           HD3      ARG 122   4.149   5.334  -1.037
  943    HE   ARG 122           HE       ARG 122   2.544   3.746  -2.686
  944   HH11  ARG 122          HH11      ARG 122   4.726   3.276   0.126
  945   HH12  ARG 122          HH12      ARG 122   3.595   2.235   0.934
  946   HH21  ARG 122          HH21      ARG 122   1.241   2.122  -1.683
  947   HH22  ARG 122          HH22      ARG 122   1.770   1.392  -0.196
  948    H    GLY 123           H        GLY 123   6.867   5.875  -7.152
  949    HA2  GLY 123           HA2      GLY 123   7.325   4.794  -9.126
  950    HA3  GLY 123           HA3      GLY 123   7.372   3.228  -8.274
  951    H    TYR 124           H        TYR 124   4.684   5.411  -7.773
  952    HA   TYR 124           HA       TYR 124   2.593   4.708  -7.412
  953    HB2  TYR 124           HB2      TYR 124   1.416   5.172  -9.746
  954    HB3  TYR 124           HB3      TYR 124   2.174   6.309  -8.678
  955    HD1  TYR 124           HD1      TYR 124   3.349   4.171 -11.579
  956    HD2  TYR 124           HD2      TYR 124   3.332   7.983  -9.592
  957    HE1  TYR 124           HE1      TYR 124   4.608   5.160 -13.462
  958    HE2  TYR 124           HE2      TYR 124   4.407   9.047 -11.544
  959    HH   TYR 124           HH       TYR 124   5.502   7.109 -14.393
  960    H    LYS 125           H        LYS 125   0.828   3.560  -9.527
  961    HA   LYS 125           HA       LYS 125   1.250   0.708  -8.729
  962    HB2  LYS 125           HB2      LYS 125  -1.405   2.188  -8.726
  963    HB3  LYS 125           HB3      LYS 125  -1.080   0.548  -8.160
  964    HG2  LYS 125           HG2      LYS 125   0.421   1.536  -6.364
  965    HG3  LYS 125           HG3      LYS 125  -0.058   3.140  -6.918
  966    HD2  LYS 125           HD2      LYS 125  -1.493   2.819  -5.148
  967    HD3  LYS 125           HD3      LYS 125  -2.497   2.410  -6.524
  968    HE2  LYS 125           HE2      LYS 125  -2.915   0.797  -4.803
  969    HE3  LYS 125           HE3      LYS 125  -2.028  -0.035  -6.084
  970    HZ1  LYS 125           HZ1      LYS 125  -1.222  -0.513  -3.805
  971    HZ2  LYS 125           HZ2      LYS 125  -0.041   0.112  -4.742
  972    HZ3  LYS 125           HZ3      LYS 125  -0.765   1.054  -3.614
  973    H    PHE 126           H        PHE 126   0.020   2.972 -11.224
  974    HA   PHE 126           HA       PHE 126  -0.902   0.789 -12.949
  975    HB2  PHE 126           HB2      PHE 126  -0.586   3.753 -13.203
  976    HB3  PHE 126           HB3      PHE 126  -0.337   2.810 -14.659
  977    HD1  PHE 126           HD2      PHE 126  -2.871   3.680 -12.065
  978    HD2  PHE 126           HD1      PHE 126  -2.110   1.656 -15.800
  979    HE1  PHE 126           HE2      PHE 126  -5.317   3.520 -12.492
  980    HE2  PHE 126           HE1      PHE 126  -4.551   1.483 -16.200
  981    HZ   PHE 126           HZ       PHE 126  -6.158   2.428 -14.556