*HEADER    CALCIUM-BINDING PROTEIN                 13-APR-08   2K2V              
*TITLE     ANABAENA CCBP IN THE CALCIUM-BOUND 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. (STRAIN PCC 7120);                 
*SOURCE   3 STRAIN: PCC 7120;                                                    
*SOURCE   4 GENE: CCBP, ALR1010;                                                 
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3);                                
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR: PET15B                                     
*KEYWDS    CALCIUM-BINDING, CALCIUM-BINDING PROTEIN                              
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    Y.HU, X.ZHANG, C.JIN                                                  
*REVDAT   1   21-APR-09 2K2V    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= 4.24, 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= 8.29, 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= 3.57, r4= 3.97,
 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= 6.93, 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= 6.30, 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= 3.87, r4= 4.37,
 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= 4.35, r4= 4.85,
 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= 3.47, 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
#
#   37 ASP  OD1         127 CAL  KA          2.80    (#      )
 &rst
  ixpk= 0, nxpk= 0, iat= 607,2018, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, 
      rk2=40.0, rk3=80.0, ir6=1, ialtd=0,
 &end
#
#   38 ASP  OD2         127 CAL  KA          2.80    (#        )
 &rst
  ixpk= 0, nxpk= 0, iat= 620,2018, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   41 GLU  OE1         127 CAL  KA          2.80    (#)
 &rst
  ixpk= 0, nxpk= 0, iat= 667,2018, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   37 ASP  O           127 CAL  KA          2.80    (#  )
 &rst
  ixpk= 0, nxpk= 0, iat= 610,2018, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   38 ASP  O           127 CAL  KA          2.80    (#     )
 &rst
  ixpk= 0, nxpk= 0, iat= 622,2018, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   40 LEU  O           127 CAL  KA          2.80    (# )
 &rst
  ixpk= 0, nxpk= 0, iat= 655,2018, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   23 GLU  OE1         128 CAL  KA          2.80    (#      )
 &rst
  ixpk= 0, nxpk= 0, iat= 367,2019, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   24 ASP  OD1         128 CAL  KA          2.80    (#        )
 &rst
  ixpk= 0, nxpk= 0, iat= 379,2019, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   27 GLU  OE2         128 CAL  KA          2.80    (#)
 &rst
  ixpk= 0, nxpk= 0, iat= 432,2019, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   21 ASP  O           128 CAL  KA          2.80    (# )
 &rst
  ixpk= 0, nxpk= 0, iat= 345,2019, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   23 GLU  OE2         128 CAL  KA          2.80    (#)
 &rst
  ixpk= 0, nxpk= 0, iat= 368,2019, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, 
      rk2=40.0, rk3=80.0, ir6=1, ialtd=0,
 &end
#
#   27 GLU  OE1         128 CAL  KA          2.80    (#         )
 &rst
  ixpk= 0, nxpk= 0, iat= 431,2019, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           H1       MET   1   4.942 -15.303  -4.632
    2    H2   MET   1           H2       MET   1   4.803 -13.695  -4.913
    3    H3   MET   1           H3       MET   1   5.722 -14.622  -5.912
    4    HA   MET   1           HA       MET   1   6.248 -13.933  -3.115
    5    HB2  MET   1           HB2      MET   1   6.891 -16.276  -3.521
    6    HB3  MET   1           HB3      MET   1   7.860 -15.796  -4.919
    7    HG2  MET   1           HG2      MET   1   9.214 -16.210  -2.894
    8    HG3  MET   1           HG3      MET   1   9.405 -14.574  -3.506
    9    HE1  MET   1           HE1      MET   1  10.502 -15.368  -0.739
   10    HE2  MET   1           HE2      MET   1  10.539 -13.684  -1.317
   11    HE3  MET   1           HE3      MET   1   9.936 -14.055   0.315
   12    H    ALA   2           H        ALA   2   7.832 -12.326  -2.806
   13    HA   ALA   2           HA       ALA   2   9.547 -11.449  -4.939
   14    HB1  ALA   2           HB1      ALA   2   7.444  -9.515  -3.831
   15    HB2  ALA   2           HB2      ALA   2   8.856  -9.043  -4.799
   16    HB3  ALA   2           HB3      ALA   2   7.594 -10.057  -5.513
   17    H    SER   3           H        SER   3  11.214 -10.018  -4.015
   18    HA   SER   3           HA       SER   3  11.781 -10.776  -1.257
   19    HB2  SER   3           HB2      SER   3  13.520  -9.327  -3.294
   20    HB3  SER   3           HB3      SER   3  14.060 -10.174  -1.833
   21    HG   SER   3           HG       SER   3  14.318 -11.439  -3.732
   22    H    VAL   4           H        VAL   4   9.766  -8.701  -1.701
   23    HA   VAL   4           HA       VAL   4  10.840  -6.105  -1.027
   24    HB   VAL   4           HB       VAL   4   8.374  -5.566  -0.894
   25   HG11  VAL   4          HG11      VAL   4   9.367  -6.841  -3.471
   26   HG12  VAL   4          HG12      VAL   4   8.076  -5.629  -3.312
   27   HG13  VAL   4          HG13      VAL   4   9.739  -5.200  -2.900
   28   HG21  VAL   4          HG21      VAL   4   7.400  -7.780  -0.382
   29   HG22  VAL   4          HG22      VAL   4   6.786  -7.160  -1.916
   30   HG23  VAL   4          HG23      VAL   4   8.001  -8.428  -1.917
   31    H    GLU   5           H        GLU   5  12.035  -7.299   0.828
   32    HA   GLU   5           HA       GLU   5  10.481  -7.042   3.356
   33    HB2  GLU   5           HB2      GLU   5  10.379  -9.366   2.548
   34    HB3  GLU   5           HB3      GLU   5  12.134  -9.429   2.405
   35    HG2  GLU   5           HG2      GLU   5  12.323  -9.069   4.867
   36    HG3  GLU   5           HG3      GLU   5  10.555  -9.054   4.984
   37    H    ARG   6           H        ARG   6  11.629  -5.492   4.472
   38    HA   ARG   6           HA       ARG   6  14.495  -5.165   4.162
   39    HB2  ARG   6           HB2      ARG   6  14.389  -3.592   5.995
   40    HB3  ARG   6           HB3      ARG   6  13.200  -3.271   4.762
   41    HG2  ARG   6           HG2      ARG   6  12.048  -2.775   6.670
   42    HG3  ARG   6           HG3      ARG   6  11.455  -4.380   6.298
   43    HD2  ARG   6           HD2      ARG   6  11.807  -3.991   8.705
   44    HD3  ARG   6           HD3      ARG   6  12.788  -5.328   8.128
   45    HE   ARG   6           HE       ARG   6  14.244  -2.844   8.054
   46   HH11  ARG   6          HH11      ARG   6  13.110  -5.341  10.350
   47   HH12  ARG   6          HH12      ARG   6  14.394  -5.054  11.470
   48   HH21  ARG   6          HH21      ARG   6  15.938  -2.498   9.562
   49   HH22  ARG   6          HH22      ARG   6  16.014  -3.403  11.023
   50    H    ASP   7           H        ASP   7  12.398  -6.931   6.407
   51    HA   ASP   7           HA       ASP   7  14.236  -8.995   6.853
   52    HB2  ASP   7           HB2      ASP   7  15.283  -7.308   8.443
   53    HB3  ASP   7           HB3      ASP   7  13.733  -7.202   9.271
   54    H    GLU   8           H        GLU   8  13.102 -10.512   8.517
   55    HA   GLU   8           HA       GLU   8  10.348 -10.780   7.808
   56    HB2  GLU   8           HB2      GLU   8  10.389 -12.759   9.223
   57    HB3  GLU   8           HB3      GLU   8  11.820 -12.678   8.192
   58    HG2  GLU   8           HG2      GLU   8  13.157 -11.837  10.114
   59    HG3  GLU   8           HG3      GLU   8  11.732 -11.903  11.142
   60    H    THR   9           H        THR   9  11.494  -8.477   9.884
   61    HA   THR   9           HA       THR   9   9.834  -8.594  12.182
   62    HB   THR   9           HB       THR   9  10.125  -5.999  11.764
   63    HG1  THR   9           HG1      THR   9  10.845  -5.926   9.712
   64   HG21  THR   9          HG21      THR   9  12.556  -7.784  12.236
   65   HG22  THR   9          HG22      THR   9  12.390  -6.081  12.730
   66   HG23  THR   9          HG23      THR   9  11.370  -7.319  13.477
   67    H    ARG  10           H        ARG  10   9.303  -7.358   8.851
   68    HA   ARG  10           HA       ARG  10   6.718  -6.217   9.418
   69    HB2  ARG  10           HB2      ARG  10   7.970  -7.167   6.798
   70    HB3  ARG  10           HB3      ARG  10   6.355  -6.455   6.910
   71    HG2  ARG  10           HG2      ARG  10   7.340  -4.410   7.965
   72    HG3  ARG  10           HG3      ARG  10   8.959  -5.085   7.695
   73    HD2  ARG  10           HD2      ARG  10   8.517  -5.157   5.255
   74    HD3  ARG  10           HD3      ARG  10   6.898  -4.514   5.511
   75    HE   ARG  10           HE       ARG  10   9.459  -3.087   5.625
   76   HH11  ARG  10          HH21      ARG  10   5.927  -2.814   6.168
   77   HH12  ARG  10          HH22      ARG  10   6.029  -1.109   6.504
   78   HH21  ARG  10          HH11      ARG  10   9.491  -0.814   6.017
   79   HH22  ARG  10          HH12      ARG  10   8.014   0.030   6.370
   80    H    GLU  11           H        GLU  11   7.679  -9.439   8.128
   81    HA   GLU  11           HA       GLU  11   5.033 -10.412   7.802
   82    HB2  GLU  11           HB2      GLU  11   7.634 -11.895   8.399
   83    HB3  GLU  11           HB3      GLU  11   6.125 -12.680   7.952
   84    HG2  GLU  11           HG2      GLU  11   7.722 -10.730   6.241
   85    HG3  GLU  11           HG3      GLU  11   7.619 -12.473   6.023
   86    H    HIS  12           H        HIS  12   7.269 -10.601  10.651
   87    HA   HIS  12           HA       HIS  12   5.363 -12.058  12.205
   88    HB2  HIS  12           HB2      HIS  12   7.789 -10.430  12.993
   89    HB3  HIS  12           HB3      HIS  12   6.784 -11.307  14.152
   90    HD1  HIS  12           HD1      HIS  12   6.325 -14.097  12.883
   91    HD2  HIS  12           HD2      HIS  12   9.913 -11.881  12.572
   92    HE1  HIS  12           HE1      HIS  12   8.170 -15.769  12.384
   93    H    ARG  13           H        ARG  13   5.833  -8.479  11.836
   94    HA   ARG  13           HA       ARG  13   3.896  -7.949  13.933
   95    HB2  ARG  13           HB2      ARG  13   5.061  -6.255  11.695
   96    HB3  ARG  13           HB3      ARG  13   3.858  -5.619  12.812
   97    HG2  ARG  13           HG2      ARG  13   6.435  -6.862  13.862
   98    HG3  ARG  13           HG3      ARG  13   6.376  -5.202  13.288
   99    HD2  ARG  13           HD2      ARG  13   6.119  -5.188  15.679
  100    HD3  ARG  13           HD3      ARG  13   4.628  -4.639  14.911
  101    HE   ARG  13           HE       ARG  13   4.928  -7.472  15.813
  102   HH11  ARG  13          HH21      ARG  13   3.305  -4.320  16.374
  103   HH12  ARG  13          HH22      ARG  13   1.983  -5.090  17.238
  104   HH21  ARG  13          HH11      ARG  13   3.034  -8.354  16.855
  105   HH22  ARG  13          HH12      ARG  13   1.867  -7.228  17.540
  106    H    ILE  14           H        ILE  14   3.593  -8.445  10.424
  107    HA   ILE  14           HA       ILE  14   0.789  -7.876  10.267
  108    HB   ILE  14           HB       ILE  14   2.706  -9.671   8.739
  109   HG12  ILE  14          HG12      ILE  14   1.243  -7.189   7.777
  110   HG13  ILE  14          HG13      ILE  14   2.790  -7.091   8.597
  111   HG21  ILE  14          HG21      ILE  14   0.557 -10.765   8.527
  112   HG22  ILE  14          HG22      ILE  14  -0.227  -9.228   8.070
  113   HG23  ILE  14          HG23      ILE  14   0.974  -9.999   7.008
  114   HD11  ILE  14          HD11      ILE  14   3.800  -8.575   6.841
  115   HD12  ILE  14          HD12      ILE  14   2.262  -8.492   5.949
  116   HD13  ILE  14          HD13      ILE  14   3.204  -7.021   6.236
  117    H    GLU  15           H        GLU  15   2.599 -10.918  10.889
  118    HA   GLU  15           HA       GLU  15   0.397 -12.587  11.298
  119    HB2  GLU  15           HB2      GLU  15   2.634 -13.363  10.783
  120    HB3  GLU  15           HB3      GLU  15   3.284 -12.608  12.236
  121    HG2  GLU  15           HG2      GLU  15   2.112 -14.245  13.654
  122    HG3  GLU  15           HG3      GLU  15   1.438 -15.007  12.205
  123    H    THR  16           H        THR  16   2.171 -10.628  13.755
  124    HA   THR  16           HA       THR  16   0.534 -11.893  15.858
  125    HB   THR  16           HB       THR  16   2.179 -10.899  17.401
  126    HG1  THR  16           HG1      THR  16   3.622 -10.178  15.072
  127   HG21  THR  16          HG21      THR  16   2.538 -13.167  16.513
  128   HG22  THR  16          HG22      THR  16   3.458 -12.505  15.148
  129   HG23  THR  16          HG23      THR  16   4.067 -12.323  16.806
  130    H    GLU  17           H        GLU  17  -0.240  -9.455  13.944
  131    HA   GLU  17           HA       GLU  17  -1.720  -8.101  16.105
  132    HB2  GLU  17           HB2      GLU  17   0.623  -6.939  15.402
  133    HB3  GLU  17           HB3      GLU  17  -0.370  -6.283  14.114
  134    HG2  GLU  17           HG2      GLU  17  -0.442  -4.694  15.863
  135    HG3  GLU  17           HG3      GLU  17  -2.005  -5.507  15.913
  136    H    ILE  18           H        ILE  18  -1.087  -8.027  12.530
  137    HA   ILE  18           HA       ILE  18  -3.673  -6.815  12.102
  138    HB   ILE  18           HB       ILE  18  -1.699  -7.907  10.058
  139   HG12  ILE  18          HG12      ILE  18  -1.954  -5.156  11.367
  140   HG13  ILE  18          HG13      ILE  18  -0.578  -6.254  11.465
  141   HG21  ILE  18          HG21      ILE  18  -4.040  -7.477   9.193
  142   HG22  ILE  18          HG22      ILE  18  -3.873  -5.799   9.718
  143   HG23  ILE  18          HG23      ILE  18  -2.816  -6.464   8.452
  144   HD11  ILE  18          HD11      ILE  18  -0.253  -5.961   8.975
  145   HD12  ILE  18          HD12      ILE  18  -1.464  -4.658   9.043
  146   HD13  ILE  18          HD13      ILE  18   0.036  -4.520   9.972
  147    H    ILE  19           H        ILE  19  -2.321 -10.117  11.480
  148    HA   ILE  19           HA       ILE  19  -5.102 -11.048  10.934
  149    HB   ILE  19           HB       ILE  19  -4.116 -12.522   9.272
  150   HG12  ILE  19          HG12      ILE  19  -1.570 -10.881   9.499
  151   HG13  ILE  19          HG13      ILE  19  -1.767 -12.396  10.395
  152   HG21  ILE  19          HG21      ILE  19  -3.902 -10.856   7.536
  153   HG22  ILE  19          HG22      ILE  19  -5.106 -10.274   8.691
  154   HG23  ILE  19          HG23      ILE  19  -3.460  -9.606   8.695
  155   HD11  ILE  19          HD11      ILE  19  -1.940 -12.068   7.400
  156   HD12  ILE  19          HD12      ILE  19  -0.641 -12.854   8.339
  157   HD13  ILE  19          HD13      ILE  19  -2.273 -13.569   8.308
  158    H    VAL  20           H        VAL  20  -3.339 -11.248  13.492
  159    HA   VAL  20           HA       VAL  20  -2.353 -13.726  13.904
  160    HB   VAL  20           HB       VAL  20  -2.247 -11.766  15.414
  161   HG11  VAL  20          HG11      VAL  20  -3.924 -11.396  17.143
  162   HG12  VAL  20          HG12      VAL  20  -4.663 -11.205  15.548
  163   HG13  VAL  20          HG13      VAL  20  -4.946 -12.691  16.485
  164   HG21  VAL  20          HG21      VAL  20  -2.049 -13.013  17.499
  165   HG22  VAL  20          HG22      VAL  20  -3.029 -14.340  16.835
  166   HG23  VAL  20          HG23      VAL  20  -1.430 -13.976  16.146
  167    H    ASP  21           H        ASP  21  -5.858 -13.055  14.087
  168    HA   ASP  21           HA       ASP  21  -6.327 -15.928  14.706
  169    HB2  ASP  21           HB2      ASP  21  -7.184 -14.242  16.293
  170    HB3  ASP  21           HB3      ASP  21  -8.146 -13.518  15.003
  171    H    ALA  22           H        ALA  22  -5.955 -14.129  12.074
  172    HA   ALA  22           HA       ALA  22  -8.485 -14.701  10.674
  173    HB1  ALA  22           HB1      ALA  22  -7.880 -12.334  10.776
  174    HB2  ALA  22           HB2      ALA  22  -6.302 -12.705  10.034
  175    HB3  ALA  22           HB3      ALA  22  -7.783 -12.971   9.118
  176    H    GLU  23           H        GLU  23  -8.498 -16.078   9.206
  177    HA   GLU  23           HA       GLU  23  -6.410 -16.453   7.237
  178    HB2  GLU  23           HB2      GLU  23  -5.784 -18.566   7.499
  179    HB3  GLU  23           HB3      GLU  23  -5.813 -17.949   9.152
  180    HG2  GLU  23           HG2      GLU  23  -7.971 -19.699   7.946
  181    HG3  GLU  23           HG3      GLU  23  -6.564 -20.328   8.790
  182    H    ASP  24           H        ASP  24  -9.647 -16.771   8.259
  183    HA   ASP  24           HA       ASP  24 -10.650 -18.071   5.833
  184    HB2  ASP  24           HB2      ASP  24 -12.065 -16.440   7.984
  185    HB3  ASP  24           HB3      ASP  24 -12.828 -17.354   6.698
  186    H    LYS  25           H        LYS  25 -11.328 -16.756   4.031
  187    HA   LYS  25           HA       LYS  25  -9.642 -14.583   3.583
  188    HB2  LYS  25           HB2      LYS  25 -10.793 -14.214   1.495
  189    HB3  LYS  25           HB3      LYS  25 -10.546 -15.933   1.806
  190    HG2  LYS  25           HG2      LYS  25 -12.949 -16.079   2.592
  191    HG3  LYS  25           HG3      LYS  25 -13.143 -14.370   2.193
  192    HD2  LYS  25           HD2      LYS  25 -14.064 -15.720   0.415
  193    HD3  LYS  25           HD3      LYS  25 -12.643 -14.843  -0.179
  194    HE2  LYS  25           HE2      LYS  25 -11.261 -16.888   0.104
  195    HE3  LYS  25           HE3      LYS  25 -12.661 -17.756   0.745
  196    HZ1  LYS  25           HZ1      LYS  25 -13.741 -17.472  -1.413
  197    HZ2  LYS  25           HZ2      LYS  25 -12.447 -16.667  -2.006
  198    HZ3  LYS  25           HZ3      LYS  25 -12.316 -18.237  -1.595
  199    H    GLU  26           H        GLU  26 -12.950 -14.457   4.837
  200    HA   GLU  26           HA       GLU  26 -13.320 -11.633   4.431
  201    HB2  GLU  26           HB2      GLU  26 -14.601 -13.566   6.419
  202    HB3  GLU  26           HB3      GLU  26 -15.147 -11.913   6.109
  203    HG2  GLU  26           HG2      GLU  26 -15.558 -12.513   3.717
  204    HG3  GLU  26           HG3      GLU  26 -15.083 -14.176   4.062
  205    H    GLU  27           H        GLU  27 -11.908 -13.645   7.067
  206    HA   GLU  27           HA       GLU  27 -11.661 -11.467   8.953
  207    HB2  GLU  27           HB2      GLU  27 -10.026 -14.006   8.732
  208    HB3  GLU  27           HB3      GLU  27 -10.195 -12.971  10.152
  209    HG2  GLU  27           HG2      GLU  27 -12.509 -13.605  10.432
  210    HG3  GLU  27           HG3      GLU  27 -12.490 -14.543   8.931
  211    H    ARG  28           H        ARG  28  -9.503 -13.096   6.548
  212    HA   ARG  28           HA       ARG  28  -7.151 -11.589   7.149
  213    HB2  ARG  28           HB2      ARG  28  -8.198 -12.858   4.583
  214    HB3  ARG  28           HB3      ARG  28  -6.665 -11.995   4.640
  215    HG2  ARG  28           HG2      ARG  28  -7.165 -14.191   6.644
  216    HG3  ARG  28           HG3      ARG  28  -6.740 -14.622   4.983
  217    HD2  ARG  28           HD2      ARG  28  -4.629 -13.521   5.079
  218    HD3  ARG  28           HD3      ARG  28  -5.081 -12.603   6.516
  219    HE   ARG  28           HE       ARG  28  -4.860 -14.493   7.891
  220   HH11  ARG  28          HH12      ARG  28  -3.767 -15.347   4.553
  221   HH12  ARG  28          HH11      ARG  28  -2.869 -16.692   5.131
  222   HH21  ARG  28          HH21      ARG  28  -3.794 -16.251   8.537
  223   HH22  ARG  28          HH22      ARG  28  -2.853 -17.228   7.453
  224    H    ALA  29           H        ALA  29  -9.776 -10.886   4.782
  225    HA   ALA  29           HA       ALA  29  -8.743  -8.434   3.892
  226    HB1  ALA  29           HB1      ALA  29 -10.547  -9.784   2.821
  227    HB2  ALA  29           HB2      ALA  29 -11.652  -9.328   4.128
  228    HB3  ALA  29           HB3      ALA  29 -11.000  -8.089   3.023
  229    H    MET  30           H        MET  30 -11.111  -9.083   6.578
  230    HA   MET  30           HA       MET  30 -11.381  -6.326   7.265
  231    HB2  MET  30           HB2      MET  30 -11.930  -8.862   8.824
  232    HB3  MET  30           HB3      MET  30 -12.281  -7.246   9.438
  233    HG2  MET  30           HG2      MET  30 -13.451  -8.427   6.890
  234    HG3  MET  30           HG3      MET  30 -14.248  -8.321   8.447
  235    HE1  MET  30           HE1      MET  30 -14.118  -5.174   5.184
  236    HE2  MET  30           HE2      MET  30 -12.496  -5.576   5.749
  237    HE3  MET  30           HE3      MET  30 -13.550  -6.856   5.130
  238    H    GLY  31           H        GLY  31  -9.061  -8.788   8.499
  239    HA2  GLY  31           HA2      GLY  31  -8.013  -7.253  10.622
  240    HA3  GLY  31           HA3      GLY  31  -7.149  -8.500   9.693
  241    H    TRP  32           H        TRP  32  -6.917  -7.520   7.177
  242    HA   TRP  32           HA       TRP  32  -4.923  -5.514   7.341
  243    HB2  TRP  32           HB2      TRP  32  -6.559  -6.672   5.070
  244    HB3  TRP  32           HB3      TRP  32  -5.494  -5.297   4.805
  245    HD1  TRP  32           HD1      TRP  32  -5.358  -8.998   5.014
  246    HE1  TRP  32           HE1      TRP  32  -2.934  -9.806   4.811
  247    HE3  TRP  32           HE3      TRP  32  -2.998  -4.537   5.565
  248    HZ2  TRP  32           HZ2      TRP  32  -0.271  -8.671   5.199
  249    HZ3  TRP  32           HZ3      TRP  32  -0.515  -4.396   5.620
  250    HH2  TRP  32           HH2      TRP  32   0.848  -6.455   5.426
  251    H    TYR  33           H        TYR  33  -8.403  -5.226   6.430
  252    HA   TYR  33           HA       TYR  33  -8.375  -2.505   5.757
  253    HB2  TYR  33           HB2      TYR  33 -10.229  -3.859   5.163
  254    HB3  TYR  33           HB3      TYR  33 -10.468  -4.403   6.809
  255    HD1  TYR  33           HD2      TYR  33 -10.297  -0.977   5.214
  256    HD2  TYR  33           HD1      TYR  33 -12.504  -3.764   7.645
  257    HE1  TYR  33           HE2      TYR  33 -12.036   0.737   5.592
  258    HE2  TYR  33           HE1      TYR  33 -14.220  -2.048   8.075
  259    HH   TYR  33           HH       TYR  33 -14.922   0.142   7.656
  260    H    TYR  34           H        TYR  34  -9.020  -3.975   9.013
  261    HA   TYR  34           HA       TYR  34  -9.727  -1.513  10.233
  262    HB2  TYR  34           HB2      TYR  34  -8.556  -4.043  11.455
  263    HB3  TYR  34           HB3      TYR  34  -9.307  -2.735  12.353
  264    HD1  TYR  34           HD2      TYR  34 -11.572  -2.723   9.789
  265    HD2  TYR  34           HD1      TYR  34 -10.111  -5.435  12.821
  266    HE1  TYR  34           HE2      TYR  34 -13.743  -3.884   9.798
  267    HE2  TYR  34           HE1      TYR  34 -12.283  -6.623  12.806
  268    HH   TYR  34           HH       TYR  34 -15.014  -5.619  10.694
  269    H    TYR  35           H        TYR  35  -6.551  -3.282  10.202
  270    HA   TYR  35           HA       TYR  35  -5.344  -1.214  11.851
  271    HB2  TYR  35           HB2      TYR  35  -4.257  -3.612  10.346
  272    HB3  TYR  35           HB3      TYR  35  -3.190  -2.446  11.113
  273    HD1  TYR  35           HD1      TYR  35  -5.821  -4.978  11.788
  274    HD2  TYR  35           HD2      TYR  35  -2.986  -2.236  13.515
  275    HE1  TYR  35           HE1      TYR  35  -6.183  -6.026  13.999
  276    HE2  TYR  35           HE2      TYR  35  -3.346  -3.260  15.743
  277    HH   TYR  35           HH       TYR  35  -5.629  -5.990  16.264
  278    H    LEU  36           H        LEU  36  -5.541  -1.757   8.301
  279    HA   LEU  36           HA       LEU  36  -3.600   0.270   7.685
  280    HB2  LEU  36           HB2      LEU  36  -5.712  -1.188   6.128
  281    HB3  LEU  36           HB3      LEU  36  -5.253   0.392   5.546
  282    HG   LEU  36           HG       LEU  36  -2.997  -0.140   5.251
  283   HD11  LEU  36          HD11      LEU  36  -2.346  -1.428   7.167
  284   HD12  LEU  36          HD12      LEU  36  -3.462  -2.736   6.746
  285   HD13  LEU  36          HD13      LEU  36  -2.020  -2.402   5.742
  286   HD21  LEU  36          HD21      LEU  36  -3.135  -1.935   3.594
  287   HD22  LEU  36          HD22      LEU  36  -4.593  -2.592   4.372
  288   HD23  LEU  36          HD23      LEU  36  -4.649  -1.015   3.568
  289    H    ASP  37           H        ASP  37  -7.268   0.421   7.995
  290    HA   ASP  37           HA       ASP  37  -7.241   3.251   7.556
  291    HB2  ASP  37           HB2      ASP  37  -9.462   2.125   7.791
  292    HB3  ASP  37           HB3      ASP  37  -9.103   1.742   9.470
  293    H    ASP  38           H        ASP  38  -6.804   1.321  10.629
  294    HA   ASP  38           HA       ASP  38  -6.974   3.765  11.845
  295    HB2  ASP  38           HB2      ASP  38  -7.349   1.688  13.107
  296    HB3  ASP  38           HB3      ASP  38  -5.592   1.626  13.377
  297    H    THR  39           H        THR  39  -4.253   2.366  10.338
  298    HA   THR  39           HA       THR  39  -2.210   3.986  11.680
  299    HB   THR  39           HB       THR  39  -2.187   2.373   9.082
  300    HG1  THR  39           HG1      THR  39  -2.590   0.996  10.720
  301   HG21  THR  39          HG21      THR  39   0.285   2.352   9.471
  302   HG22  THR  39          HG22      THR  39  -0.378   3.978   9.187
  303   HG23  THR  39          HG23      THR  39   0.043   3.468  10.830
  304    H    LEU  40           H        LEU  40  -4.089   4.093   8.633
  305    HA   LEU  40           HA       LEU  40  -2.810   6.407   7.528
  306    HB2  LEU  40           HB2      LEU  40  -5.533   5.145   7.058
  307    HB3  LEU  40           HB3      LEU  40  -4.804   6.351   6.002
  308    HG   LEU  40           HG       LEU  40  -3.464   3.663   6.535
  309   HD11  LEU  40          HD11      LEU  40  -4.463   2.735   4.556
  310   HD12  LEU  40          HD12      LEU  40  -5.783   3.306   5.580
  311   HD13  LEU  40          HD13      LEU  40  -5.270   4.262   4.169
  312   HD21  LEU  40          HD21      LEU  40  -1.981   5.236   5.523
  313   HD22  LEU  40          HD22      LEU  40  -2.439   4.015   4.344
  314   HD23  LEU  40          HD23      LEU  40  -3.171   5.629   4.251
  315    H    GLU  41           H        GLU  41  -3.283   8.537   7.834
  316    HA   GLU  41           HA       GLU  41  -5.591   9.272   9.582
  317    HB2  GLU  41           HB2      GLU  41  -2.786  10.407   9.440
  318    HB3  GLU  41           HB3      GLU  41  -4.131  11.228  10.245
  319    HG2  GLU  41           HG2      GLU  41  -3.184   8.416  10.944
  320    HG3  GLU  41           HG3      GLU  41  -2.676   9.875  11.778
  321    H    PHE  42           H        PHE  42  -6.619   9.007   7.494
  322    HA   PHE  42           HA       PHE  42  -6.498  10.819   5.358
  323    HB2  PHE  42           HB2      PHE  42  -8.890   9.472   6.678
  324    HB3  PHE  42           HB3      PHE  42  -8.907  10.203   5.095
  325    HD1  PHE  42           HD1      PHE  42  -7.685   9.194   3.178
  326    HD2  PHE  42           HD2      PHE  42  -7.972   7.211   7.013
  327    HE1  PHE  42           HE1      PHE  42  -7.290   6.991   2.096
  328    HE2  PHE  42           HE2      PHE  42  -7.606   5.043   5.910
  329    HZ   PHE  42           HZ       PHE  42  -7.295   4.923   3.440
  330    HA   PRO  43           HA       PRO  43  -8.196  11.915   4.018
  331    HB2  PRO  43           HB2      PRO  43  -8.413  14.424   3.001
  332    HB3  PRO  43           HB3      PRO  43  -9.809  13.538   3.687
  333    HG2  PRO  43           HG2      PRO  43  -8.078  15.625   5.048
  334    HG3  PRO  43           HG3      PRO  43  -9.867  15.527   5.006
  335    HD2  PRO  43           HD2      PRO  43  -8.387  14.579   7.112
  336    HD3  PRO  43           HD3      PRO  43  -9.899  13.782   6.589
  337    H    PHE  44           H        PHE  44  -6.577  12.224   2.365
  338    HA   PHE  44           HA       PHE  44  -4.311  13.975   2.930
  339    HB2  PHE  44           HB2      PHE  44  -2.601  12.313   2.776
  340    HB3  PHE  44           HB3      PHE  44  -3.628  11.949   4.143
  341    HD1  PHE  44           HD2      PHE  44  -2.670  10.926   0.722
  342    HD2  PHE  44           HD1      PHE  44  -4.729   9.763   4.308
  343    HE1  PHE  44           HE2      PHE  44  -2.779   8.621  -0.127
  344    HE2  PHE  44           HE1      PHE  44  -4.805   7.425   3.486
  345    HZ   PHE  44           HZ       PHE  44  -3.866   6.842   1.261
  346    H    MET  45           H        MET  45  -2.829  14.031   0.950
  347    HA   MET  45           HA       MET  45  -4.518  13.843  -1.492
  348    HB2  MET  45           HB2      MET  45  -3.370  15.987  -0.905
  349    HB3  MET  45           HB3      MET  45  -1.812  15.145  -0.907
  350    HG2  MET  45           HG2      MET  45  -2.199  14.575  -3.327
  351    HG3  MET  45           HG3      MET  45  -3.655  15.572  -3.284
  352    HE1  MET  45           HE1      MET  45  -1.301  15.700  -5.280
  353    HE2  MET  45           HE2      MET  45  -2.620  16.882  -5.408
  354    HE3  MET  45           HE3      MET  45  -0.929  17.436  -5.450
  355    H    GLY  46           H        GLY  46  -3.833  12.470  -3.302
  356    HA2  GLY  46           HA2      GLY  46  -1.226  11.172  -3.077
  357    HA3  GLY  46           HA3      GLY  46  -2.622  10.082  -3.004
  358    H    LYS  47           H        LYS  47  -0.870   9.728  -4.933
  359    HA   LYS  47           HA       LYS  47  -2.157  10.806  -7.394
  360    HB2  LYS  47           HB2      LYS  47   0.469  10.785  -7.093
  361    HB3  LYS  47           HB3      LYS  47   0.336   9.045  -7.246
  362    HG2  LYS  47           HG2      LYS  47   0.807   9.828  -9.435
  363    HG3  LYS  47           HG3      LYS  47  -0.911   9.446  -9.445
  364    HD2  LYS  47           HD2      LYS  47  -0.720  11.511 -10.584
  365    HD3  LYS  47           HD3      LYS  47  -1.344  11.956  -9.006
  366    HE2  LYS  47           HE2      LYS  47   0.710  12.873  -8.289
  367    HE3  LYS  47           HE3      LYS  47   1.637  11.983  -9.510
  368    HZ1  LYS  47           HZ1      LYS  47   0.748  13.318 -11.210
  369    HZ2  LYS  47           HZ2      LYS  47  -0.280  14.129 -10.189
  370    HZ3  LYS  47           HZ3      LYS  47   1.349  14.340 -10.074
  371    H    TRP  48           H        TRP  48  -3.644   9.507  -8.318
  372    HA   TRP  48           HA       TRP  48  -3.913   6.675  -7.485
  373    HB2  TRP  48           HB2      TRP  48  -5.958   8.092  -7.722
  374    HB3  TRP  48           HB3      TRP  48  -5.563   8.378  -9.406
  375    HD1  TRP  48           HD1      TRP  48  -4.787   4.863  -8.882
  376    HE1  TRP  48           HE1      TRP  48  -6.656   3.321  -9.563
  377    HE3  TRP  48           HE3      TRP  48  -8.580   8.291  -9.082
  378    HZ2  TRP  48           HZ2      TRP  48  -9.513   3.511 -10.120
  379    HZ3  TRP  48           HZ3      TRP  48 -10.892   7.560  -9.619
  380    HH2  TRP  48           HH2      TRP  48 -11.363   5.179 -10.148
  381    H    LYS  49           H        LYS  49  -2.249   5.560  -8.436
  382    HA   LYS  49           HA       LYS  49  -1.201   6.271 -11.116
  383    HB2  LYS  49           HB2      LYS  49  -0.234   4.515  -8.807
  384    HB3  LYS  49           HB3      LYS  49   0.539   4.549 -10.394
  385    HG2  LYS  49           HG2      LYS  49   1.041   6.943 -10.169
  386    HG3  LYS  49           HG3      LYS  49   0.142   7.025  -8.651
  387    HD2  LYS  49           HD2      LYS  49   2.521   6.988  -8.212
  388    HD3  LYS  49           HD3      LYS  49   1.730   5.553  -7.541
  389    HE2  LYS  49           HE2      LYS  49   2.518   4.188  -9.416
  390    HE3  LYS  49           HE3      LYS  49   3.218   5.615 -10.200
  391    HZ1  LYS  49           HZ1      LYS  49   4.895   4.339  -9.030
  392    HZ2  LYS  49           HZ2      LYS  49   4.756   5.801  -8.329
  393    HZ3  LYS  49           HZ3      LYS  49   4.111   4.478  -7.610
  394    H    LYS  50           H        LYS  50  -3.428   5.642 -11.836
  395    HA   LYS  50           HA       LYS  50  -4.464   3.016 -11.255
  396    HB2  LYS  50           HB2      LYS  50  -5.747   5.092 -12.044
  397    HB3  LYS  50           HB3      LYS  50  -5.157   4.742 -13.675
  398    HG2  LYS  50           HG2      LYS  50  -6.260   2.522 -13.600
  399    HG3  LYS  50           HG3      LYS  50  -6.808   2.840 -11.947
  400    HD2  LYS  50           HD2      LYS  50  -8.127   4.782 -12.758
  401    HD3  LYS  50           HD3      LYS  50  -7.569   4.465 -14.417
  402    HE2  LYS  50           HE2      LYS  50  -8.605   2.203 -14.325
  403    HE3  LYS  50           HE3      LYS  50  -9.169   2.525 -12.681
  404    HZ1  LYS  50           HZ1      LYS  50 -10.532   4.328 -13.575
  405    HZ2  LYS  50           HZ2      LYS  50 -10.010   4.025 -15.096
  406    HZ3  LYS  50           HZ3      LYS  50 -10.907   2.921 -14.304
  407    H    LYS  51           H        LYS  51  -3.929   0.992 -12.180
  408    HA   LYS  51           HA       LYS  51  -1.942   0.726 -14.182
  409    HB2  LYS  51           HB2      LYS  51  -2.822  -1.119 -12.713
  410    HB3  LYS  51           HB3      LYS  51  -4.297  -1.151 -13.698
  411    HG2  LYS  51           HG2      LYS  51  -2.902  -1.697 -15.715
  412    HG3  LYS  51           HG3      LYS  51  -1.449  -1.615 -14.715
  413    HD2  LYS  51           HD2      LYS  51  -2.012  -3.923 -15.033
  414    HD3  LYS  51           HD3      LYS  51  -2.321  -3.518 -13.339
  415    HE2  LYS  51           HE2      LYS  51  -4.749  -3.290 -13.843
  416    HE3  LYS  51           HE3      LYS  51  -4.434  -3.633 -15.548
  417    HZ1  LYS  51           HZ1      LYS  51  -3.677  -5.843 -14.898
  418    HZ2  LYS  51           HZ2      LYS  51  -3.955  -5.527 -13.318
  419    HZ3  LYS  51           HZ3      LYS  51  -5.196  -5.596 -14.370
  420    H    SER  52           H        SER  52  -1.976   0.927 -16.386
  421    HA   SER  52           HA       SER  52  -3.986   2.539 -17.554
  422    HB2  SER  52           HB2      SER  52  -1.626   2.525 -18.252
  423    HB3  SER  52           HB3      SER  52  -1.794   0.865 -18.841
  424    HG   SER  52           HG       SER  52  -2.018   2.653 -20.415
  425    H    ARG  53           H        ARG  53  -5.337   2.080 -19.361
  426    HA   ARG  53           HA       ARG  53  -6.696  -0.515 -19.307
  427    HB2  ARG  53           HB2      ARG  53  -7.991   1.528 -19.685
  428    HB3  ARG  53           HB3      ARG  53  -6.966   1.987 -21.042
  429    HG2  ARG  53           HG2      ARG  53  -9.146   1.132 -21.785
  430    HG3  ARG  53           HG3      ARG  53  -7.819   0.156 -22.399
  431    HD2  ARG  53           HD2      ARG  53  -8.280  -1.502 -20.498
  432    HD3  ARG  53           HD3      ARG  53  -9.682  -0.521 -20.081
  433    HE   ARG  53           HE       ARG  53 -10.822  -1.340 -21.897
  434   HH11  ARG  53          HH11      ARG  53  -7.390  -2.281 -22.260
  435   HH12  ARG  53          HH12      ARG  53  -7.716  -3.426 -23.512
  436   HH21  ARG  53          HH21      ARG  53 -11.213  -2.839 -23.585
  437   HH22  ARG  53          HH22      ARG  53  -9.921  -3.730 -24.293
  438    H    LYS  54           H        LYS  54  -4.046   1.028 -21.084
  439    HA   LYS  54           HA       LYS  54  -4.347  -0.640 -23.434
  440    HB2  LYS  54           HB2      LYS  54  -3.389   1.665 -23.463
  441    HB3  LYS  54           HB3      LYS  54  -2.031   1.114 -22.484
  442    HG2  LYS  54           HG2      LYS  54  -1.377   1.321 -24.805
  443    HG3  LYS  54           HG3      LYS  54  -1.281  -0.367 -24.307
  444    HD2  LYS  54           HD2      LYS  54  -3.397  -0.868 -25.491
  445    HD3  LYS  54           HD3      LYS  54  -3.622   0.850 -25.840
  446    HE2  LYS  54           HE2      LYS  54  -2.812  -0.208 -27.832
  447    HE3  LYS  54           HE3      LYS  54  -1.544   0.848 -27.208
  448    HZ1  LYS  54           HZ1      LYS  54  -1.636  -2.099 -26.860
  449    HZ2  LYS  54           HZ2      LYS  54  -0.687  -1.302 -27.914
  450    HZ3  LYS  54           HZ3      LYS  54  -0.436  -1.121 -26.317
  451    H    THR  55           H        THR  55  -2.128  -0.640 -20.602
  452    HA   THR  55           HA       THR  55  -1.366  -3.440 -21.022
  453    HB   THR  55           HB       THR  55   1.137  -2.293 -20.863
  454    HG1  THR  55           HG1      THR  55   0.462  -0.195 -21.209
  455   HG21  THR  55          HG21      THR  55   1.470  -2.830 -23.189
  456   HG22  THR  55          HG22      THR  55   0.444  -4.066 -22.448
  457   HG23  THR  55          HG23      THR  55  -0.276  -2.828 -23.501
  458    H    SER  56           H        SER  56   0.539  -3.834 -19.250
  459    HA   SER  56           HA       SER  56  -0.359  -3.127 -16.657
  460    HB2  SER  56           HB2      SER  56   2.411  -4.067 -17.481
  461    HB3  SER  56           HB3      SER  56   1.586  -4.359 -15.941
  462    HG   SER  56           HG       SER  56   0.126  -5.703 -17.028
  463    H    THR  57           H        THR  57   0.584  -0.829 -18.642
  464    HA   THR  57           HA       THR  57   2.666   0.612 -17.226
  465    HB   THR  57           HB       THR  57   1.770   2.372 -18.947
  466    HG1  THR  57           HG1      THR  57   0.383   1.686 -20.413
  467   HG21  THR  57          HG21      THR  57   2.960   1.289 -20.808
  468   HG22  THR  57          HG22      THR  57   3.847   1.067 -19.291
  469   HG23  THR  57          HG23      THR  57   2.899  -0.276 -19.969
  470    H    ILE  58           H        ILE  58   1.730   3.135 -16.943
  471    HA   ILE  58           HA       ILE  58  -0.508   2.922 -14.966
  472    HB   ILE  58           HB       ILE  58   2.224   4.211 -14.728
  473   HG12  ILE  58          HG12      ILE  58   2.124   1.760 -14.227
  474   HG13  ILE  58          HG13      ILE  58   2.649   2.760 -12.887
  475   HG21  ILE  58          HG21      ILE  58   0.693   5.798 -13.762
  476   HG22  ILE  58          HG22      ILE  58  -0.157   4.521 -12.873
  477   HG23  ILE  58          HG23      ILE  58   1.520   4.961 -12.451
  478   HD11  ILE  58          HD11      ILE  58   1.130   0.902 -12.232
  479   HD12  ILE  58          HD12      ILE  58   0.518   2.490 -11.759
  480   HD13  ILE  58          HD13      ILE  58  -0.175   1.649 -13.166
  481    H    GLU  59           H        GLU  59  -1.992   4.450 -15.113
  482    HA   GLU  59           HA       GLU  59  -1.545   6.908 -16.736
  483    HB2  GLU  59           HB2      GLU  59  -4.024   5.193 -16.233
  484    HB3  GLU  59           HB3      GLU  59  -4.113   6.851 -16.826
  485    HG2  GLU  59           HG2      GLU  59  -2.565   4.654 -18.261
  486    HG3  GLU  59           HG3      GLU  59  -4.260   4.997 -18.569
  487    H    GLU  60           H        GLU  60  -0.753   8.158 -15.037
  488    HA   GLU  60           HA       GLU  60  -1.855   7.906 -12.378
  489    HB2  GLU  60           HB2      GLU  60  -0.384   9.657 -11.728
  490    HB3  GLU  60           HB3      GLU  60   0.481   8.409 -12.616
  491    HG2  GLU  60           HG2      GLU  60   0.553   9.752 -14.590
  492    HG3  GLU  60           HG3      GLU  60  -0.558  10.941 -13.901
  493    H    LYS  61           H        LYS  61  -3.094   9.474 -11.203
  494    HA   LYS  61           HA       LYS  61  -4.058  11.882 -12.601
  495    HB2  LYS  61           HB2      LYS  61  -5.744  10.124 -13.114
  496    HB3  LYS  61           HB3      LYS  61  -5.899   9.752 -11.392
  497    HG2  LYS  61           HG2      LYS  61  -6.912  11.902 -10.937
  498    HG3  LYS  61           HG3      LYS  61  -6.466  12.516 -12.537
  499    HD2  LYS  61           HD2      LYS  61  -8.842  12.005 -12.474
  500    HD3  LYS  61           HD3      LYS  61  -8.007  10.952 -13.621
  501    HE2  LYS  61           HE2      LYS  61  -7.985   9.133 -11.890
  502    HE3  LYS  61           HE3      LYS  61  -8.875  10.196 -10.790
  503    HZ1  LYS  61           HZ1      LYS  61 -10.340   8.668 -11.986
  504    HZ2  LYS  61           HZ2      LYS  61 -10.702  10.207 -12.394
  505    HZ3  LYS  61           HZ3      LYS  61  -9.865   9.257 -13.427
  506    H    THR  62           H        THR  62  -4.541  13.517 -10.949
  507    HA   THR  62           HA       THR  62  -3.259  12.825  -8.358
  508    HB   THR  62           HB       THR  62  -3.857  15.577  -9.493
  509    HG1  THR  62           HG1      THR  62  -2.477  14.742 -10.946
  510   HG21  THR  62          HG21      THR  62  -1.828  14.556  -7.451
  511   HG22  THR  62          HG22      THR  62  -2.017  16.239  -8.001
  512   HG23  THR  62          HG23      THR  62  -3.316  15.458  -7.079
  513    H    VAL  63           H        VAL  63  -4.456  12.690  -6.493
  514    HA   VAL  63           HA       VAL  63  -7.282  13.569  -6.624
  515    HB   VAL  63           HB       VAL  63  -7.961  11.376  -5.746
  516   HG11  VAL  63          HG11      VAL  63  -6.491  11.027  -8.394
  517   HG12  VAL  63          HG12      VAL  63  -7.872  10.095  -7.786
  518   HG13  VAL  63          HG13      VAL  63  -8.079  11.798  -8.200
  519   HG21  VAL  63          HG21      VAL  63  -5.168  10.360  -6.405
  520   HG22  VAL  63          HG22      VAL  63  -5.785  10.629  -4.764
  521   HG23  VAL  63          HG23      VAL  63  -6.550   9.426  -5.801
  522    H    GLU  64           H        GLU  64  -8.328  13.670  -4.668
  523    HA   GLU  64           HA       GLU  64  -6.637  13.927  -2.215
  524    HB2  GLU  64           HB2      GLU  64  -8.007  15.918  -2.822
  525    HB3  GLU  64           HB3      GLU  64  -9.465  14.918  -2.826
  526    HG2  GLU  64           HG2      GLU  64  -9.204  14.446  -0.432
  527    HG3  GLU  64           HG3      GLU  64  -7.634  15.249  -0.408
  528    H    VAL  65           H        VAL  65  -7.008  12.344  -0.637
  529    HA   VAL  65           HA       VAL  65  -8.804  10.109  -1.409
  530    HB   VAL  65           HB       VAL  65  -6.396   9.941   0.434
  531   HG11  VAL  65          HG11      VAL  65  -7.745   7.871  -1.356
  532   HG12  VAL  65          HG12      VAL  65  -6.492   7.583  -0.133
  533   HG13  VAL  65          HG13      VAL  65  -8.121   8.100   0.355
  534   HG21  VAL  65          HG21      VAL  65  -5.086   9.062  -1.506
  535   HG22  VAL  65          HG22      VAL  65  -6.367   9.619  -2.601
  536   HG23  VAL  65          HG23      VAL  65  -5.431  10.784  -1.643
  537    H    LEU  66           H        LEU  66 -10.638  10.161  -0.275
  538    HA   LEU  66           HA       LEU  66 -10.879  11.905   2.028
  539    HB2  LEU  66           HB2      LEU  66 -12.886  10.023   0.700
  540    HB3  LEU  66           HB3      LEU  66 -13.262  11.142   1.988
  541    HG   LEU  66           HG       LEU  66 -14.063  12.123   0.044
  542   HD11  LEU  66          HD11      LEU  66 -11.421  13.551   0.547
  543   HD12  LEU  66          HD12      LEU  66 -12.912  14.244  -0.112
  544   HD13  LEU  66          HD13      LEU  66 -12.872  13.688   1.569
  545   HD21  LEU  66          HD21      LEU  66 -12.745  10.810  -1.611
  546   HD22  LEU  66          HD22      LEU  66 -12.903  12.526  -1.999
  547   HD23  LEU  66          HD23      LEU  66 -11.375  11.920  -1.357
  548    H    GLY  67           H        GLY  67 -10.749   8.351   1.598
  549    HA2  GLY  67           HA2      GLY  67 -10.170   7.649   4.245
  550    HA3  GLY  67           HA3      GLY  67 -11.929   7.689   4.082
  551    H    MET  68           H        MET  68 -10.807   5.286   4.568
  552    HA   MET  68           HA       MET  68 -10.443   3.728   2.127
  553    HB2  MET  68           HB2      MET  68 -11.159   2.837   4.939
  554    HB3  MET  68           HB3      MET  68 -10.899   1.760   3.553
  555    HG2  MET  68           HG2      MET  68  -8.614   2.885   3.265
  556    HG3  MET  68           HG3      MET  68  -8.906   3.629   4.838
  557    HE1  MET  68           HE1      MET  68  -7.691   0.559   2.871
  558    HE2  MET  68           HE2      MET  68  -7.899  -0.785   4.016
  559    HE3  MET  68           HE3      MET  68  -9.324  -0.033   3.265
  560    H    ALA  69           H        ALA  69 -11.995   2.310   1.221
  561    HA   ALA  69           HA       ALA  69 -14.672   3.350   0.958
  562    HB1  ALA  69           HB1      ALA  69 -13.580   0.595   0.266
  563    HB2  ALA  69           HB2      ALA  69 -15.012   1.369  -0.432
  564    HB3  ALA  69           HB3      ALA  69 -13.415   2.034  -0.782
  565    HA   PRO  70           HA       PRO  70 -16.894   1.296   4.264
  566    HB2  PRO  70           HB2      PRO  70 -18.440  -0.207   2.140
  567    HB3  PRO  70           HB3      PRO  70 -19.061   0.631   3.598
  568    HG2  PRO  70           HG2      PRO  70 -19.241   1.825   1.178
  569    HG3  PRO  70           HG3      PRO  70 -18.698   2.780   2.598
  570    HD2  PRO  70           HD2      PRO  70 -17.021   1.511   0.429
  571    HD3  PRO  70           HD3      PRO  70 -16.882   3.147   1.145
  572    H    ASP  71           H        ASP  71 -17.104  -0.757   5.374
  573    HA   ASP  71           HA       ASP  71 -15.107  -2.686   4.905
  574    HB2  ASP  71           HB2      ASP  71 -15.971  -3.869   6.687
  575    HB3  ASP  71           HB3      ASP  71 -16.431  -2.216   7.063
  576    H    ASP  72           H        ASP  72 -18.389  -2.433   3.625
  577    HA   ASP  72           HA       ASP  72 -18.702  -5.103   2.686
  578    HB2  ASP  72           HB2      ASP  72 -20.566  -3.514   2.856
  579    HB3  ASP  72           HB3      ASP  72 -19.830  -2.486   1.622
  580    H    GLU  73           H        GLU  73 -16.895  -2.368   1.409
  581    HA   GLU  73           HA       GLU  73 -16.320  -3.739  -1.159
  582    HB2  GLU  73           HB2      GLU  73 -15.418  -1.088   0.021
  583    HB3  GLU  73           HB3      GLU  73 -14.816  -1.737  -1.501
  584    HG2  GLU  73           HG2      GLU  73 -17.764  -1.165  -0.965
  585    HG3  GLU  73           HG3      GLU  73 -16.651  -0.022  -1.699
  586    H    CYS  74           H        CYS  74 -14.755  -2.741   1.906
  587    HA   CYS  74           HA       CYS  74 -12.240  -3.735   1.109
  588    HB2  CYS  74           HB2      CYS  74 -13.181  -2.955   3.883
  589    HB3  CYS  74           HB3      CYS  74 -11.503  -3.240   3.387
  590    HG   CYS  74           HG       CYS  74 -13.665  -0.944   2.454
  591    H    LEU  75           H        LEU  75 -14.687  -5.676   1.601
  592    HA   LEU  75           HA       LEU  75 -13.358  -7.865   3.070
  593    HB2  LEU  75           HB2      LEU  75 -15.998  -7.485   1.630
  594    HB3  LEU  75           HB3      LEU  75 -15.419  -9.114   1.944
  595    HG   LEU  75           HG       LEU  75 -15.670  -7.081   4.185
  596   HD11  LEU  75          HD11      LEU  75 -17.752  -9.092   3.238
  597   HD12  LEU  75          HD12      LEU  75 -17.849  -8.089   4.707
  598   HD13  LEU  75          HD13      LEU  75 -17.862  -7.321   3.113
  599   HD21  LEU  75          HD21      LEU  75 -15.626 -10.128   4.183
  600   HD22  LEU  75          HD22      LEU  75 -14.264  -9.091   4.648
  601   HD23  LEU  75          HD23      LEU  75 -15.744  -9.078   5.610
  602    H    LYS  76           H        LYS  76 -13.593  -6.606  -0.193
  603    HA   LYS  76           HA       LYS  76 -12.726  -9.167  -1.389
  604    HB2  LYS  76           HB2      LYS  76 -13.713  -6.567  -2.637
  605    HB3  LYS  76           HB3      LYS  76 -13.244  -8.024  -3.511
  606    HG2  LYS  76           HG2      LYS  76 -15.393  -8.657  -3.356
  607    HG3  LYS  76           HG3      LYS  76 -14.979  -9.107  -1.703
  608    HD2  LYS  76           HD2      LYS  76 -17.058  -7.945  -1.713
  609    HD3  LYS  76           HD3      LYS  76 -15.863  -6.954  -0.873
  610    HE2  LYS  76           HE2      LYS  76 -15.670  -5.438  -2.715
  611    HE3  LYS  76           HE3      LYS  76 -16.511  -6.535  -3.821
  612    HZ1  LYS  76           HZ1      LYS  76 -17.823  -4.598  -2.865
  613    HZ2  LYS  76           HZ2      LYS  76 -18.549  -6.079  -2.785
  614    HZ3  LYS  76           HZ3      LYS  76 -17.859  -5.416  -1.447
  615    H    ASP  77           H        ASP  77 -11.576  -5.800  -0.977
  616    HA   ASP  77           HA       ASP  77  -8.833  -6.589  -1.202
  617    HB2  ASP  77           HB2      ASP  77  -9.582  -6.482  -3.679
  618    HB3  ASP  77           HB3      ASP  77  -9.844  -4.759  -3.414
  619    H    MET  78           H        MET  78  -7.503  -4.317  -1.112
  620    HA   MET  78           HA       MET  78  -8.963  -2.602   0.823
  621    HB2  MET  78           HB2      MET  78  -6.112  -2.467  -0.226
  622    HB3  MET  78           HB3      MET  78  -6.808  -1.384   0.987
  623    HG2  MET  78           HG2      MET  78  -6.444  -4.383   1.261
  624    HG3  MET  78           HG3      MET  78  -5.457  -3.135   2.008
  625    HE1  MET  78           HE1      MET  78  -9.106  -4.763   1.899
  626    HE2  MET  78           HE2      MET  78  -7.858  -5.764   2.680
  627    HE3  MET  78           HE3      MET  78  -9.199  -5.097   3.629
  628    H    TYR  79           H        TYR  79  -9.958  -0.724   0.269
  629    HA   TYR  79           HA       TYR  79  -9.328   0.576  -2.325
  630    HB2  TYR  79           HB2      TYR  79 -12.127  -0.001  -1.314
  631    HB3  TYR  79           HB3      TYR  79 -11.715   0.851  -2.782
  632    HD1  TYR  79           HD2      TYR  79 -10.788  -0.451  -4.774
  633    HD2  TYR  79           HD1      TYR  79 -12.343  -2.352  -1.226
  634    HE1  TYR  79           HE2      TYR  79 -11.204  -2.523  -6.066
  635    HE2  TYR  79           HE1      TYR  79 -12.777  -4.408  -2.512
  636    HH   TYR  79           HH       TYR  79 -12.005  -4.763  -5.982
  637    H    VAL  80           H        VAL  80 -10.135   2.765  -2.443
  638    HA   VAL  80           HA       VAL  80 -10.674   4.128   0.124
  639    HB   VAL  80           HB       VAL  80  -8.910   5.829  -0.604
  640   HG11  VAL  80          HG11      VAL  80  -8.594   4.480   1.368
  641   HG12  VAL  80          HG12      VAL  80  -7.955   3.122   0.406
  642   HG13  VAL  80          HG13      VAL  80  -7.063   4.657   0.520
  643   HG21  VAL  80          HG21      VAL  80  -8.442   4.931  -2.880
  644   HG22  VAL  80          HG22      VAL  80  -6.985   5.045  -1.883
  645   HG23  VAL  80          HG23      VAL  80  -7.748   3.464  -2.156
  646    H    GLU  81           H        GLU  81 -11.769   6.033  -0.109
  647    HA   GLU  81           HA       GLU  81 -13.126   6.492  -2.691
  648    HB2  GLU  81           HB2      GLU  81 -13.423   7.753   0.071
  649    HB3  GLU  81           HB3      GLU  81 -14.321   8.258  -1.371
  650    HG2  GLU  81           HG2      GLU  81 -15.213   5.917  -1.583
  651    HG3  GLU  81           HG3      GLU  81 -14.423   5.506  -0.059
  652    H    VAL  82           H        VAL  82 -12.637   8.260  -3.962
  653    HA   VAL  82           HA       VAL  82 -10.453  10.065  -3.110
  654    HB   VAL  82           HB       VAL  82  -9.433   9.672  -5.410
  655   HG11  VAL  82          HG11      VAL  82  -8.377   8.856  -3.389
  656   HG12  VAL  82          HG12      VAL  82  -9.321   7.348  -3.454
  657   HG13  VAL  82          HG13      VAL  82  -8.136   7.719  -4.722
  658   HG21  VAL  82          HG21      VAL  82 -11.003   7.060  -5.372
  659   HG22  VAL  82          HG22      VAL  82 -11.323   8.437  -6.454
  660   HG23  VAL  82          HG23      VAL  82  -9.786   7.575  -6.555
  661    H    ALA  83           H        ALA  83 -10.396  12.058  -4.289
  662    HA   ALA  83           HA       ALA  83 -12.655  12.556  -6.179
  663    HB1  ALA  83           HB1      ALA  83 -12.771  14.856  -5.231
  664    HB2  ALA  83           HB2      ALA  83 -13.227  13.619  -4.048
  665    HB3  ALA  83           HB3      ALA  83 -11.621  14.384  -3.962
  666    H    ASP  84           H        ASP  84 -11.989  13.503  -8.044
  667    HA   ASP  84           HA       ASP  84  -9.142  13.604  -8.608
  668    HB2  ASP  84           HB2      ASP  84 -10.608  12.914 -10.393
  669    HB3  ASP  84           HB3      ASP  84 -11.628  14.350 -10.198
  670    H    ILE  85           H        ILE  85  -7.796  15.239  -8.222
  671    HA   ILE  85           HA       ILE  85  -8.835  17.933  -7.594
  672    HB   ILE  85           HB       ILE  85  -5.985  16.899  -7.644
  673   HG12  ILE  85          HG12      ILE  85  -7.795  17.241  -5.203
  674   HG13  ILE  85          HG13      ILE  85  -7.407  15.696  -5.938
  675   HG21  ILE  85          HG21      ILE  85  -5.439  18.877  -6.284
  676   HG22  ILE  85          HG22      ILE  85  -6.199  19.405  -7.761
  677   HG23  ILE  85          HG23      ILE  85  -7.148  19.355  -6.255
  678   HD11  ILE  85          HD11      ILE  85  -5.414  17.551  -4.578
  679   HD12  ILE  85          HD12      ILE  85  -5.981  15.992  -4.019
  680   HD13  ILE  85          HD13      ILE  85  -4.983  16.075  -5.481
  681    H    GLY  86           H        GLY  86  -7.516  16.080 -10.290
  682    HA2  GLY  86           HA2      GLY  86  -5.985  18.043 -11.600
  683    HA3  GLY  86           HA3      GLY  86  -6.705  16.596 -12.322
  684    H    GLY  87           H        GLY  87  -9.499  17.304 -11.861
  685    HA2  GLY  87           HA2      GLY  87  -9.889  19.805 -13.439
  686    HA3  GLY  87           HA3      GLY  87 -10.376  18.224 -14.080
  687    H    LYS  88           H        LYS  88 -11.574  16.940 -11.915
  688    HA   LYS  88           HA       LYS  88 -14.112  18.283 -12.169
  689    HB2  LYS  88           HB2      LYS  88 -13.474  15.892 -10.389
  690    HB3  LYS  88           HB3      LYS  88 -15.067  16.456 -10.903
  691    HG2  LYS  88           HG2      LYS  88 -14.205  16.103 -13.343
  692    HG3  LYS  88           HG3      LYS  88 -12.873  15.218 -12.599
  693    HD2  LYS  88           HD2      LYS  88 -14.364  13.521 -13.110
  694    HD3  LYS  88           HD3      LYS  88 -14.729  13.823 -11.401
  695    HE2  LYS  88           HE2      LYS  88 -16.656  15.267 -12.099
  696    HE3  LYS  88           HE3      LYS  88 -16.233  14.990 -13.793
  697    HZ1  LYS  88           HZ1      LYS  88 -17.232  12.966 -11.870
  698    HZ2  LYS  88           HZ2      LYS  88 -17.965  13.501 -13.232
  699    HZ3  LYS  88           HZ3      LYS  88 -16.617  12.570 -13.328
  700    H    ASP  89           H        ASP  89 -12.129  17.552  -9.262
  701    HA   ASP  89           HA       ASP  89 -12.134  18.279  -7.175
  702    HB2  ASP  89           HB2      ASP  89 -11.018  20.084  -8.456
  703    HB3  ASP  89           HB3      ASP  89 -12.537  20.981  -8.479
  704    H    ASP  90           H        ASP  90 -14.896  17.650  -8.261
  705    HA   ASP  90           HA       ASP  90 -16.525  18.769  -6.063
  706    HB2  ASP  90           HB2      ASP  90 -16.530  20.419  -7.977
  707    HB3  ASP  90           HB3      ASP  90 -17.205  19.159  -9.008
  708    H    ASP  91           H        ASP  91 -15.543  16.027  -7.306
  709    HA   ASP  91           HA       ASP  91 -18.069  14.600  -7.002
  710    HB2  ASP  91           HB2      ASP  91 -18.040  15.176  -9.430
  711    HB3  ASP  91           HB3      ASP  91 -16.452  14.416  -9.576
  712    H    VAL  92           H        VAL  92 -17.594  12.184  -6.928
  713    HA   VAL  92           HA       VAL  92 -14.865  11.669  -5.884
  714    HB   VAL  92           HB       VAL  92 -17.419  10.956  -4.418
  715   HG11  VAL  92          HG11      VAL  92 -14.538  11.019  -3.436
  716   HG12  VAL  92          HG12      VAL  92 -15.960  10.575  -2.476
  717   HG13  VAL  92          HG13      VAL  92 -15.466   9.551  -3.818
  718   HG21  VAL  92          HG21      VAL  92 -17.326  13.386  -4.314
  719   HG22  VAL  92          HG22      VAL  92 -16.832  12.740  -2.756
  720   HG23  VAL  92          HG23      VAL  92 -15.600  13.341  -3.887
  721    H    TYR  93           H        TYR  93 -14.280   9.540  -5.928
  722    HA   TYR  93           HA       TYR  93 -15.931   7.465  -7.256
  723    HB2  TYR  93           HB2      TYR  93 -13.091   8.320  -7.990
  724    HB3  TYR  93           HB3      TYR  93 -13.880   6.885  -8.603
  725    HD1  TYR  93           HD1      TYR  93 -15.981   7.094 -10.029
  726    HD2  TYR  93           HD2      TYR  93 -13.351  10.402  -9.148
  727    HE1  TYR  93           HE1      TYR  93 -16.779   8.257 -12.060
  728    HE2  TYR  93           HE2      TYR  93 -14.131  11.566 -11.189
  729    HH   TYR  93           HH       TYR  93 -16.529  10.097 -13.440
  730    H    THR  94           H        THR  94 -14.215   5.464  -7.255
  731    HA   THR  94           HA       THR  94 -12.885   5.255  -4.593
  732    HB   THR  94           HB       THR  94 -14.478   2.949  -5.732
  733    HG1  THR  94           HG1      THR  94 -16.202   3.545  -4.523
  734   HG21  THR  94          HG21      THR  94 -14.428   2.159  -3.397
  735   HG22  THR  94          HG22      THR  94 -12.785   2.477  -3.969
  736   HG23  THR  94          HG23      THR  94 -13.584   3.641  -2.890
  737    H    ALA  95           H        ALA  95 -11.000   4.106  -4.633
  738    HA   ALA  95           HA       ALA  95 -10.017   2.988  -7.217
  739    HB1  ALA  95           HB1      ALA  95  -7.842   4.106  -6.715
  740    HB2  ALA  95           HB2      ALA  95  -9.143   5.291  -6.947
  741    HB3  ALA  95           HB3      ALA  95  -8.574   4.902  -5.311
  742    H    LYS  96           H        LYS  96  -8.199   1.477  -6.830
  743    HA   LYS  96           HA       LYS  96  -8.467  -0.119  -4.370
  744    HB2  LYS  96           HB2      LYS  96  -6.571  -0.220  -6.763
  745    HB3  LYS  96           HB3      LYS  96  -6.516  -1.344  -5.405
  746    HG2  LYS  96           HG2      LYS  96  -8.617  -2.301  -5.909
  747    HG3  LYS  96           HG3      LYS  96  -9.049  -1.036  -7.068
  748    HD2  LYS  96           HD2      LYS  96  -6.604  -2.791  -7.466
  749    HD3  LYS  96           HD3      LYS  96  -8.209  -3.315  -7.999
  750    HE2  LYS  96           HE2      LYS  96  -8.405  -1.680  -9.634
  751    HE3  LYS  96           HE3      LYS  96  -7.298  -0.567  -8.824
  752    HZ1  LYS  96           HZ1      LYS  96  -6.362  -1.583 -10.832
  753    HZ2  LYS  96           HZ2      LYS  96  -5.455  -1.806  -9.501
  754    HZ3  LYS  96           HZ3      LYS  96  -6.366  -3.056 -10.111
  755    H    LEU  97           H        LEU  97  -7.063   0.076  -2.651
  756    HA   LEU  97           HA       LEU  97  -5.299   2.336  -2.377
  757    HB2  LEU  97           HB2      LEU  97  -6.270   1.049  -0.455
  758    HB3  LEU  97           HB3      LEU  97  -5.274  -0.337  -0.918
  759    HG   LEU  97           HG       LEU  97  -3.209   0.993  -0.469
  760   HD11  LEU  97          HD11      LEU  97  -5.172   3.133   0.483
  761   HD12  LEU  97          HD12      LEU  97  -3.437   3.128   0.830
  762   HD13  LEU  97          HD13      LEU  97  -3.988   3.291  -0.836
  763   HD21  LEU  97          HD21      LEU  97  -3.415   0.976   1.972
  764   HD22  LEU  97          HD22      LEU  97  -5.187   0.911   1.843
  765   HD23  LEU  97          HD23      LEU  97  -4.190  -0.444   1.259
  766    H    SER  98           H        SER  98  -4.989  -0.931  -3.685
  767    HA   SER  98           HA       SER  98  -2.210  -1.185  -3.963
  768    HB2  SER  98           HB2      SER  98  -4.398  -2.187  -5.828
  769    HB3  SER  98           HB3      SER  98  -2.826  -2.935  -5.532
  770    HG   SER  98           HG       SER  98  -4.558  -3.905  -4.320
  771    H    ASP  99           H        ASP  99  -4.291   1.077  -5.577
  772    HA   ASP  99           HA       ASP  99  -2.310   1.481  -7.779
  773    HB2  ASP  99           HB2      ASP  99  -5.338   1.736  -7.734
  774    HB3  ASP  99           HB3      ASP  99  -4.349   2.572  -8.917
  775    H    ILE 100           H        ILE 100  -2.805   2.611  -4.815
  776    HA   ILE 100           HA       ILE 100  -2.693   5.493  -5.597
  777    HB   ILE 100           HB       ILE 100  -4.036   4.040  -3.350
  778   HG12  ILE 100          HG12      ILE 100  -5.036   5.026  -5.548
  779   HG13  ILE 100          HG13      ILE 100  -5.909   5.190  -4.023
  780   HG21  ILE 100          HG21      ILE 100  -2.658   5.492  -2.005
  781   HG22  ILE 100          HG22      ILE 100  -3.068   6.909  -2.995
  782   HG23  ILE 100          HG23      ILE 100  -4.311   6.102  -2.014
  783   HD11  ILE 100          HD11      ILE 100  -4.197   7.390  -5.207
  784   HD12  ILE 100          HD12      ILE 100  -5.941   7.189  -5.487
  785   HD13  ILE 100          HD13      ILE 100  -5.347   7.506  -3.849
  786    H    GLU 101           H        GLU 101  -1.214   6.736  -4.742
  787    HA   GLU 101           HA       GLU 101   0.716   5.668  -2.774
  788    HB2  GLU 101           HB2      GLU 101   1.839   5.396  -4.944
  789    HB3  GLU 101           HB3      GLU 101   1.438   7.050  -5.403
  790    HG2  GLU 101           HG2      GLU 101   3.773   6.877  -4.723
  791    HG3  GLU 101           HG3      GLU 101   2.896   7.938  -3.638
  792    H    ALA 102           H        ALA 102   1.240   7.320  -1.248
  793    HA   ALA 102           HA       ALA 102  -0.648   9.598  -1.294
  794    HB1  ALA 102           HB1      ALA 102  -0.476   8.570   0.856
  795    HB2  ALA 102           HB2      ALA 102   1.311   8.594   0.806
  796    HB3  ALA 102           HB3      ALA 102   0.367  10.094   0.948
  797    H    ILE 103           H        ILE 103   0.014  11.744  -1.027
  798    HA   ILE 103           HA       ILE 103   2.833  12.414  -1.761
  799    HB   ILE 103           HB       ILE 103   0.228  13.816  -2.466
  800   HG12  ILE 103          HG12      ILE 103   2.220  12.567  -4.415
  801   HG13  ILE 103          HG13      ILE 103   0.810  11.700  -3.830
  802   HG21  ILE 103          HG21      ILE 103   3.089  14.558  -3.226
  803   HG22  ILE 103          HG22      ILE 103   1.618  15.398  -3.764
  804   HG23  ILE 103          HG23      ILE 103   2.069  15.434  -2.066
  805   HD11  ILE 103          HD11      ILE 103   0.753  14.247  -5.478
  806   HD12  ILE 103          HD12      ILE 103   0.230  12.624  -5.941
  807   HD13  ILE 103          HD13      ILE 103  -0.674  13.502  -4.711
  808    H    ASP 104           H        ASP 104   3.851  13.632  -0.341
  809    HA   ASP 104           HA       ASP 104   4.383  14.724   1.536
  810    HB2  ASP 104           HB2      ASP 104   3.690  16.453  -0.067
  811    HB3  ASP 104           HB3      ASP 104   2.072  16.458   0.635
  812    H    VAL 105           H        VAL 105   2.914  12.503   2.288
  813    HA   VAL 105           HA       VAL 105   1.039  13.457   4.380
  814    HB   VAL 105           HB       VAL 105   0.450  11.700   2.602
  815   HG11  VAL 105          HG11      VAL 105   0.859   9.357   3.188
  816   HG12  VAL 105          HG12      VAL 105   2.376  10.195   2.794
  817   HG13  VAL 105          HG13      VAL 105   1.944   9.852   4.474
  818   HG21  VAL 105          HG21      VAL 105  -0.923  12.369   4.523
  819   HG22  VAL 105          HG22      VAL 105  -1.134  10.709   3.972
  820   HG23  VAL 105          HG23      VAL 105  -0.218  11.043   5.461
  821    H    ASP 106           H        ASP 106   1.103  11.914   6.448
  822    HA   ASP 106           HA       ASP 106   3.726  12.390   7.644
  823    HB2  ASP 106           HB2      ASP 106   1.497  12.709   8.847
  824    HB3  ASP 106           HB3      ASP 106   1.388  10.932   8.862
  825    H    ASP 107           H        ASP 107   4.643  10.667   8.963
  826    HA   ASP 107           HA       ASP 107   5.743   8.750   7.168
  827    HB2  ASP 107           HB2      ASP 107   6.998   9.668   9.050
  828    HB3  ASP 107           HB3      ASP 107   5.895   8.910  10.201
  829    H    ASP 108           H        ASP 108   3.350   8.314   9.824
  830    HA   ASP 108           HA       ASP 108   3.370   5.479   9.644
  831    HB2  ASP 108           HB2      ASP 108   2.443   7.271  11.463
  832    HB3  ASP 108           HB3      ASP 108   0.923   6.908  10.646
  833    H    THR 109           H        THR 109   1.334   7.990   8.109
  834    HA   THR 109           HA       THR 109  -0.541   6.183   6.865
  835    HB   THR 109           HB       THR 109   0.276   9.030   6.069
  836    HG1  THR 109           HG1      THR 109  -0.590   8.942   8.184
  837   HG21  THR 109          HG21      THR 109  -0.999   7.988   4.257
  838   HG22  THR 109          HG22      THR 109  -2.229   7.426   5.424
  839   HG23  THR 109          HG23      THR 109  -2.025   9.135   5.142
  840    H    GLN 110           H        GLN 110   2.555   7.713   5.801
  841    HA   GLN 110           HA       GLN 110   2.452   6.557   3.218
  842    HB2  GLN 110           HB2      GLN 110   3.836   8.514   3.876
  843    HB3  GLN 110           HB3      GLN 110   4.858   7.459   4.852
  844    HG2  GLN 110           HG2      GLN 110   5.867   7.985   2.698
  845    HG3  GLN 110           HG3      GLN 110   5.571   6.248   2.854
  846   HE21  GLN 110          HE22      GLN 110   3.915   5.256   1.502
  847   HE22  GLN 110          HE21      GLN 110   3.404   6.085   0.021
  848    H    GLU 111           H        GLU 111   3.829   5.318   6.305
  849    HA   GLU 111           HA       GLU 111   5.114   3.059   5.140
  850    HB2  GLU 111           HB2      GLU 111   4.162   3.780   7.929
  851    HB3  GLU 111           HB3      GLU 111   4.716   2.144   7.604
  852    HG2  GLU 111           HG2      GLU 111   6.335   4.653   7.058
  853    HG3  GLU 111           HG3      GLU 111   6.506   3.619   8.481
  854    H    ALA 112           H        ALA 112   1.759   3.454   6.390
  855    HA   ALA 112           HA       ALA 112   1.043   0.698   6.143
  856    HB1  ALA 112           HB1      ALA 112  -1.290   1.590   5.956
  857    HB2  ALA 112           HB2      ALA 112  -0.380   2.296   7.302
  858    HB3  ALA 112           HB3      ALA 112  -0.617   3.231   5.816
  859    H    ILE 113           H        ILE 113   1.037   3.386   3.790
  860    HA   ILE 113           HA       ILE 113  -0.194   1.919   1.655
  861    HB   ILE 113           HB       ILE 113   1.541   4.404   1.743
  862   HG12  ILE 113          HG12      ILE 113  -1.460   4.246   1.268
  863   HG13  ILE 113          HG13      ILE 113  -0.797   4.305   2.895
  864   HG21  ILE 113          HG21      ILE 113   1.718   3.514  -0.500
  865   HG22  ILE 113          HG22      ILE 113  -0.045   3.284  -0.604
  866   HG23  ILE 113          HG23      ILE 113   0.655   4.915  -0.535
  867   HD11  ILE 113          HD11      ILE 113   0.428   6.407   2.312
  868   HD12  ILE 113          HD12      ILE 113  -0.471   6.402   0.769
  869   HD13  ILE 113          HD13      ILE 113  -1.339   6.526   2.321
  870    H    ALA 114           H        ALA 114   3.263   2.712   2.363
  871    HA   ALA 114           HA       ALA 114   4.384   1.325   0.182
  872    HB1  ALA 114           HB1      ALA 114   6.459   1.353   1.511
  873    HB2  ALA 114           HB2      ALA 114   5.637   2.923   1.597
  874    HB3  ALA 114           HB3      ALA 114   5.544   1.791   2.968
  875    H    ASP 115           H        ASP 115   3.570   0.200   3.493
  876    HA   ASP 115           HA       ASP 115   4.605  -2.431   3.221
  877    HB2  ASP 115           HB2      ASP 115   3.976  -1.304   5.360
  878    HB3  ASP 115           HB3      ASP 115   2.275  -1.536   4.948
  879    H    TRP 116           H        TRP 116   1.405  -1.059   2.419
  880    HA   TRP 116           HA       TRP 116   0.217  -3.586   1.707
  881    HB2  TRP 116           HB2      TRP 116  -1.121  -1.579   2.258
  882    HB3  TRP 116           HB3      TRP 116  -0.521  -0.771   0.808
  883    HD1  TRP 116           HD1      TRP 116  -1.846  -1.189  -1.363
  884    HE1  TRP 116           HE1      TRP 116  -3.544  -2.898  -2.225
  885    HE3  TRP 116           HE3      TRP 116  -2.063  -4.236   2.752
  886    HZ2  TRP 116           HZ2      TRP 116  -4.952  -5.195  -1.171
  887    HZ3  TRP 116           HZ3      TRP 116  -3.553  -6.213   2.759
  888    HH2  TRP 116           HH2      TRP 116  -5.006  -6.703   0.808
  889    H    LEU 117           H        LEU 117   2.053  -1.086  -0.120
  890    HA   LEU 117           HA       LEU 117   1.710  -2.363  -2.668
  891    HB2  LEU 117           HB2      LEU 117   3.806  -0.422  -1.637
  892    HB3  LEU 117           HB3      LEU 117   3.738  -0.976  -3.304
  893    HG   LEU 117           HG       LEU 117   1.411   0.452  -1.937
  894   HD11  LEU 117          HD11      LEU 117   3.365   1.933  -2.023
  895   HD12  LEU 117          HD12      LEU 117   3.557   1.606  -3.761
  896   HD13  LEU 117          HD13      LEU 117   2.117   2.460  -3.158
  897   HD21  LEU 117          HD21      LEU 117   0.643   0.860  -4.256
  898   HD22  LEU 117          HD22      LEU 117   1.965  -0.158  -4.868
  899   HD23  LEU 117          HD23      LEU 117   0.676  -0.855  -3.860
  900    H    TYR 118           H        TYR 118   4.086  -2.870  -0.013
  901    HA   TYR 118           HA       TYR 118   5.662  -4.756  -1.509
  902    HB2  TYR 118           HB2      TYR 118   5.169  -4.744   1.485
  903    HB3  TYR 118           HB3      TYR 118   6.464  -5.562   0.640
  904    HD1  TYR 118           HD1      TYR 118   7.241  -3.220  -1.286
  905    HD2  TYR 118           HD2      TYR 118   6.488  -3.435   2.961
  906    HE1  TYR 118           HE1      TYR 118   8.603  -1.199  -0.947
  907    HE2  TYR 118           HE2      TYR 118   7.760  -1.350   3.295
  908    HH   TYR 118           HH       TYR 118   9.085   0.297   2.290
  909    H    TRP 119           H        TRP 119   2.805  -5.224   0.689
  910    HA   TRP 119           HA       TRP 119   2.580  -8.024   0.334
  911    HB2  TRP 119           HB2      TRP 119   1.335  -7.026   2.042
  912    HB3  TRP 119           HB3      TRP 119   0.676  -5.785   0.997
  913    HD1  TRP 119           HD1      TRP 119  -1.284  -6.478  -0.707
  914    HE1  TRP 119           HE1      TRP 119  -3.149  -8.199  -0.499
  915    HE3  TRP 119           HE3      TRP 119   0.684  -9.397   3.027
  916    HZ2  TRP 119           HZ2      TRP 119  -3.856 -10.350   1.229
  917    HZ3  TRP 119           HZ3      TRP 119  -0.684 -11.202   4.028
  918    HH2  TRP 119           HH2      TRP 119  -2.984 -11.662   3.175
  919    H    LEU 120           H        LEU 120   1.245  -5.371  -1.708
  920    HA   LEU 120           HA       LEU 120  -0.144  -6.954  -3.561
  921    HB2  LEU 120           HB2      LEU 120  -0.351  -4.528  -3.364
  922    HB3  LEU 120           HB3      LEU 120   1.339  -4.317  -3.789
  923    HG   LEU 120           HG       LEU 120   0.875  -5.165  -6.095
  924   HD11  LEU 120          HD11      LEU 120  -1.124  -6.484  -5.808
  925   HD12  LEU 120          HD12      LEU 120  -2.016  -5.100  -5.110
  926   HD13  LEU 120          HD13      LEU 120  -1.547  -5.111  -6.824
  927   HD21  LEU 120          HD21      LEU 120  -0.316  -3.062  -6.769
  928   HD22  LEU 120          HD22      LEU 120  -0.669  -2.760  -5.051
  929   HD23  LEU 120          HD23      LEU 120   1.006  -2.793  -5.626
  930    H    ALA 121           H        ALA 121   3.275  -5.762  -3.709
  931    HA   ALA 121           HA       ALA 121   3.921  -7.172  -6.101
  932    HB1  ALA 121           HB1      ALA 121   6.266  -6.702  -5.431
  933    HB2  ALA 121           HB2      ALA 121   5.232  -5.269  -5.260
  934    HB3  ALA 121           HB3      ALA 121   5.703  -6.202  -3.823
  935    H    ARG 122           H        ARG 122   3.970  -8.171  -2.684
  936    HA   ARG 122           HA       ARG 122   5.545 -10.511  -2.978
  937    HB2  ARG 122           HB2      ARG 122   4.775  -9.296  -0.802
  938    HB3  ARG 122           HB3      ARG 122   3.255 -10.166  -0.997
  939    HG2  ARG 122           HG2      ARG 122   4.435 -11.522   0.482
  940    HG3  ARG 122           HG3      ARG 122   4.720 -12.320  -1.052
  941    HD2  ARG 122           HD2      ARG 122   6.886 -12.266  -0.403
  942    HD3  ARG 122           HD3      ARG 122   6.869 -10.605  -1.022
  943    HE   ARG 122           HE       ARG 122   5.996 -10.432   1.618
  944   HH11  ARG 122          HH11      ARG 122   9.020 -11.415   0.004
  945   HH12  ARG 122          HH12      ARG 122   9.893 -11.561   1.502
  946   HH21  ARG 122          HH21      ARG 122   7.196 -10.535   3.547
  947   HH22  ARG 122          HH22      ARG 122   8.874 -11.041   3.516
  948    H    GLY 123           H        GLY 123   2.145  -9.893  -3.755
  949    HA2  GLY 123           HA2      GLY 123   0.931 -11.244  -5.224
  950    HA3  GLY 123           HA3      GLY 123   1.918 -12.650  -4.817
  951    H    TYR 124           H        TYR 124   0.491 -10.514  -2.361
  952    HA   TYR 124           HA       TYR 124  -0.939 -10.743  -0.698
  953    HB2  TYR 124           HB2      TYR 124  -2.316 -11.964  -3.048
  954    HB3  TYR 124           HB3      TYR 124  -3.125 -12.019  -1.500
  955    HD1  TYR 124           HD1      TYR 124  -1.249  -9.426  -3.535
  956    HD2  TYR 124           HD2      TYR 124  -4.776 -10.407  -1.237
  957    HE1  TYR 124           HE1      TYR 124  -2.222  -7.239  -4.068
  958    HE2  TYR 124           HE2      TYR 124  -5.729  -8.197  -1.746
  959    HH   TYR 124           HH       TYR 124  -5.458  -6.168  -2.992
  960    H    LYS 125           H        LYS 125  -2.298 -12.142   0.712
  961    HA   LYS 125           HA       LYS 125  -1.574 -15.021   0.778
  962    HB2  LYS 125           HB2      LYS 125  -1.548 -13.366   3.327
  963    HB3  LYS 125           HB3      LYS 125  -1.164 -15.057   3.165
  964    HG2  LYS 125           HG2      LYS 125   0.463 -12.898   1.798
  965    HG3  LYS 125           HG3      LYS 125   0.769 -13.419   3.455
  966    HD2  LYS 125           HD2      LYS 125   1.174 -15.724   2.743
  967    HD3  LYS 125           HD3      LYS 125   0.805 -15.310   1.059
  968    HE2  LYS 125           HE2      LYS 125   2.704 -13.729   1.014
  969    HE3  LYS 125           HE3      LYS 125   3.060 -14.086   2.710
  970    HZ1  LYS 125           HZ1      LYS 125   3.531 -16.378   2.061
  971    HZ2  LYS 125           HZ2      LYS 125   3.210 -16.049   0.492
  972    HZ3  LYS 125           HZ3      LYS 125   4.487 -15.354   1.234
  973    H    PHE 126           H        PHE 126  -3.942 -13.099   0.210
  974    HA   PHE 126           HA       PHE 126  -5.857 -15.043   1.165
  975    HB2  PHE 126           HB2      PHE 126  -7.412 -13.729   2.201
  976    HB3  PHE 126           HB3      PHE 126  -5.900 -13.212   2.906
  977    HD1  PHE 126           HD2      PHE 126  -8.592 -12.286   0.474
  978    HD2  PHE 126           HD1      PHE 126  -5.339 -10.855   2.912
  979    HE1  PHE 126           HE2      PHE 126  -9.314  -9.950   0.077
  980    HE2  PHE 126           HE1      PHE 126  -6.062  -8.525   2.514
  981    HZ   PHE 126           HZ       PHE 126  -8.046  -8.060   1.082
  Start of MODEL    2
    1    H1   MET   1           H1       MET   1   7.452 -18.977  -3.262
    2    H2   MET   1           H2       MET   1   6.775 -17.488  -3.333
    3    H3   MET   1           H3       MET   1   7.944 -17.893  -4.396
    4    HA   MET   1           HA       MET   1   8.293 -17.582  -1.495
    5    HB2  MET   1           HB2      MET   1  10.348 -18.230  -3.661
    6    HB3  MET   1           HB3      MET   1  10.752 -17.688  -2.031
    7    HG2  MET   1           HG2      MET   1   9.588 -19.650  -1.070
    8    HG3  MET   1           HG3      MET   1   9.238 -20.237  -2.702
    9    HE1  MET   1           HE1      MET   1  11.900 -22.794  -1.393
   10    HE2  MET   1           HE2      MET   1  10.631 -21.988  -0.444
   11    HE3  MET   1           HE3      MET   1  10.276 -22.583  -2.083
   12    H    ALA   2           H        ALA   2   9.067 -15.587  -0.786
   13    HA   ALA   2           HA       ALA   2   9.905 -13.532  -2.681
   14    HB1  ALA   2           HB1      ALA   2   7.470 -13.157  -0.866
   15    HB2  ALA   2           HB2      ALA   2   8.259 -11.886  -1.825
   16    HB3  ALA   2           HB3      ALA   2   7.437 -13.224  -2.644
   17    H    SER   3           H        SER   3  10.981 -11.804  -1.536
   18    HA   SER   3           HA       SER   3  11.654 -12.304   1.321
   19    HB2  SER   3           HB2      SER   3  13.656 -11.771  -0.917
   20    HB3  SER   3           HB3      SER   3  14.022 -12.123   0.781
   21    HG   SER   3           HG       SER   3  14.269 -13.954  -0.576
   22    H    VAL   4           H        VAL   4   9.913 -10.295  -0.020
   23    HA   VAL   4           HA       VAL   4  11.308  -7.808  -0.212
   24    HB   VAL   4           HB       VAL   4   9.065  -6.909  -0.525
   25   HG11  VAL   4          HG11      VAL   4   8.331  -8.136  -2.446
   26   HG12  VAL   4          HG12      VAL   4  10.100  -8.134  -2.414
   27   HG13  VAL   4          HG13      VAL   4   9.202  -9.590  -1.936
   28   HG21  VAL   4          HG21      VAL   4   7.834  -8.044   1.239
   29   HG22  VAL   4          HG22      VAL   4   7.061  -8.192  -0.327
   30   HG23  VAL   4          HG23      VAL   4   7.961  -9.580   0.351
   31    H    GLU   5           H        GLU   5  10.222  -9.580   2.531
   32    HA   GLU   5           HA       GLU   5   9.107  -7.651   4.183
   33    HB2  GLU   5           HB2      GLU   5   9.638  -9.176   6.037
   34    HB3  GLU   5           HB3      GLU   5   8.954 -10.006   4.639
   35    HG2  GLU   5           HG2      GLU   5  11.298 -10.705   3.976
   36    HG3  GLU   5           HG3      GLU   5  11.887  -9.975   5.471
   37    H    ARG   6           H        ARG   6   9.819  -6.077   5.524
   38    HA   ARG   6           HA       ARG   6  12.403  -4.970   5.096
   39    HB2  ARG   6           HB2      ARG   6  11.756  -3.266   6.659
   40    HB3  ARG   6           HB3      ARG   6  10.354  -3.683   5.678
   41    HG2  ARG   6           HG2      ARG   6   9.709  -5.265   7.658
   42    HG3  ARG   6           HG3      ARG   6  10.894  -4.352   8.596
   43    HD2  ARG   6           HD2      ARG   6   8.394  -3.295   7.232
   44    HD3  ARG   6           HD3      ARG   6   8.650  -3.496   8.967
   45    HE   ARG   6           HE       ARG   6  10.494  -1.802   8.755
   46   HH11  ARG   6          HH11      ARG   6   7.797  -1.658   6.381
   47   HH12  ARG   6          HH12      ARG   6   7.748   0.091   6.423
   48   HH21  ARG   6          HH21      ARG   6  10.473   0.473   8.606
   49   HH22  ARG   6          HH22      ARG   6   9.291   1.290   7.629
   50    H    ASP   7           H        ASP   7  11.112  -7.023   7.706
   51    HA   ASP   7           HA       ASP   7  13.634  -7.998   8.619
   52    HB2  ASP   7           HB2      ASP   7  13.682  -5.687   9.661
   53    HB3  ASP   7           HB3      ASP   7  12.123  -6.020  10.405
   54    H    GLU   8           H        GLU   8  13.142  -9.726  10.193
   55    HA   GLU   8           HA       GLU   8  10.718 -11.070   9.934
   56    HB2  GLU   8           HB2      GLU   8  12.623 -11.200  12.316
   57    HB3  GLU   8           HB3      GLU   8  11.412 -12.393  11.863
   58    HG2  GLU   8           HG2      GLU   8  13.219 -13.415  10.973
   59    HG3  GLU   8           HG3      GLU   8  12.745 -12.478   9.567
   60    H    THR   9           H        THR   9  11.465  -8.391  12.116
   61    HA   THR   9           HA       THR   9   9.402  -8.555  14.014
   62    HB   THR   9           HB       THR   9  10.523  -6.178  12.500
   63    HG1  THR   9           HG1      THR   9  12.137  -7.174  13.454
   64   HG21  THR   9          HG21      THR   9   9.005  -6.242  15.137
   65   HG22  THR   9          HG22      THR   9   9.961  -4.855  14.552
   66   HG23  THR   9          HG23      THR   9   8.552  -5.393  13.637
   67    H    ARG  10           H        ARG  10   9.177  -7.639  10.519
   68    HA   ARG  10           HA       ARG  10   6.504  -6.602  10.858
   69    HB2  ARG  10           HB2      ARG  10   8.048  -5.935   8.994
   70    HB3  ARG  10           HB3      ARG  10   7.907  -7.561   8.312
   71    HG2  ARG  10           HG2      ARG  10   6.413  -6.128   7.089
   72    HG3  ARG  10           HG3      ARG  10   5.421  -7.180   8.096
   73    HD2  ARG  10           HD2      ARG  10   5.391  -5.216   9.811
   74    HD3  ARG  10           HD3      ARG  10   6.094  -4.250   8.512
   75    HE   ARG  10           HE       ARG  10   4.164  -4.620   7.162
   76   HH11  ARG  10          HH11      ARG  10   3.675  -5.474  10.575
   77   HH12  ARG  10          HH12      ARG  10   1.976  -5.167  10.553
   78   HH21  ARG  10          HH21      ARG  10   1.975  -4.319   7.067
   79   HH22  ARG  10          HH22      ARG  10   0.945  -4.585   8.445
   80    H    GLU  11           H        GLU  11   7.861  -9.743   9.774
   81    HA   GLU  11           HA       GLU  11   5.392 -11.003   9.192
   82    HB2  GLU  11           HB2      GLU  11   7.919 -12.282  10.334
   83    HB3  GLU  11           HB3      GLU  11   6.613 -13.109   9.492
   84    HG2  GLU  11           HG2      GLU  11   8.532 -11.065   8.294
   85    HG3  GLU  11           HG3      GLU  11   8.547 -12.808   8.039
   86    H    HIS  12           H        HIS  12   7.256 -10.718  12.256
   87    HA   HIS  12           HA       HIS  12   5.520 -12.249  13.876
   88    HB2  HIS  12           HB2      HIS  12   7.778 -11.457  14.530
   89    HB3  HIS  12           HB3      HIS  12   7.171  -9.812  14.656
   90    HD1  HIS  12           HD1      HIS  12   4.385 -10.809  16.364
   91    HD2  HIS  12           HD2      HIS  12   8.494 -11.513  17.079
   92    HE1  HIS  12           HE1      HIS  12   4.625 -11.220  18.842
   93    H    ARG  13           H        ARG  13   5.459  -8.627  13.268
   94    HA   ARG  13           HA       ARG  13   3.089  -8.393  14.893
   95    HB2  ARG  13           HB2      ARG  13   4.286  -6.457  12.871
   96    HB3  ARG  13           HB3      ARG  13   2.879  -6.117  13.893
   97    HG2  ARG  13           HG2      ARG  13   4.379  -6.745  15.906
   98    HG3  ARG  13           HG3      ARG  13   5.740  -6.600  14.791
   99    HD2  ARG  13           HD2      ARG  13   3.733  -4.441  15.565
  100    HD3  ARG  13           HD3      ARG  13   5.421  -4.528  16.033
  101    HE   ARG  13           HE       ARG  13   6.118  -3.970  13.854
  102   HH11  ARG  13          HH11      ARG  13   2.532  -3.675  14.201
  103   HH12  ARG  13          HH12      ARG  13   2.404  -2.730  12.749
  104   HH21  ARG  13          HH21      ARG  13   5.839  -2.657  12.001
  105   HH22  ARG  13          HH22      ARG  13   4.268  -2.125  11.532
  106    H    ILE  14           H        ILE  14   3.469  -8.982  11.368
  107    HA   ILE  14           HA       ILE  14   0.731  -8.618  10.689
  108    HB   ILE  14           HB       ILE  14   2.928 -10.442   9.663
  109   HG12  ILE  14          HG12      ILE  14   1.462  -8.146   8.294
  110   HG13  ILE  14          HG13      ILE  14   2.908  -7.904   9.257
  111   HG21  ILE  14          HG21      ILE  14   1.493 -11.070   7.750
  112   HG22  ILE  14          HG22      ILE  14   0.849 -11.680   9.260
  113   HG23  ILE  14          HG23      ILE  14   0.115 -10.242   8.508
  114   HD11  ILE  14          HD11      ILE  14   3.516  -7.995   6.922
  115   HD12  ILE  14          HD12      ILE  14   4.185  -9.415   7.751
  116   HD13  ILE  14          HD13      ILE  14   2.746  -9.568   6.713
  117    H    GLU  15           H        GLU  15   2.450 -11.532  11.928
  118    HA   GLU  15           HA       GLU  15   0.133 -13.116  12.149
  119    HB2  GLU  15           HB2      GLU  15   2.452 -13.972  12.095
  120    HB3  GLU  15           HB3      GLU  15   2.773 -13.253  13.667
  121    HG2  GLU  15           HG2      GLU  15   2.376 -15.622  13.919
  122    HG3  GLU  15           HG3      GLU  15   1.123 -14.696  14.736
  123    H    THR  16           H        THR  16   1.722 -11.090  14.756
  124    HA   THR  16           HA       THR  16  -0.383 -12.025  16.568
  125    HB   THR  16           HB       THR  16   1.040 -10.952  18.298
  126    HG1  THR  16           HG1      THR  16   2.136  -9.370  17.261
  127   HG21  THR  16          HG21      THR  16   2.603 -12.783  16.422
  128   HG22  THR  16          HG22      THR  16   2.813 -12.587  18.176
  129   HG23  THR  16          HG23      THR  16   1.339 -13.332  17.547
  130    H    GLU  17           H        GLU  17  -0.100  -9.232  14.605
  131    HA   GLU  17           HA       GLU  17  -1.919  -7.711  16.417
  132    HB2  GLU  17           HB2      GLU  17   0.540  -7.029  16.260
  133    HB3  GLU  17           HB3      GLU  17   0.199  -6.523  14.601
  134    HG2  GLU  17           HG2      GLU  17  -1.382  -4.854  15.357
  135    HG3  GLU  17           HG3      GLU  17  -1.260  -5.442  17.022
  136    H    ILE  18           H        ILE  18  -1.577  -9.031  13.194
  137    HA   ILE  18           HA       ILE  18  -3.815  -7.261  12.283
  138    HB   ILE  18           HB       ILE  18  -1.702  -8.532  10.518
  139   HG12  ILE  18          HG12      ILE  18  -1.900  -5.708  11.650
  140   HG13  ILE  18          HG13      ILE  18  -0.601  -6.864  11.928
  141   HG21  ILE  18          HG21      ILE  18  -2.627  -7.166   8.755
  142   HG22  ILE  18          HG22      ILE  18  -3.977  -8.004   9.492
  143   HG23  ILE  18          HG23      ILE  18  -3.687  -6.310   9.900
  144   HD11  ILE  18          HD11      ILE  18  -1.209  -5.470   9.299
  145   HD12  ILE  18          HD12      ILE  18   0.153  -5.206  10.388
  146   HD13  ILE  18          HD13      ILE  18   0.008  -6.750   9.514
  147    H    ILE  19           H        ILE  19  -2.446 -10.618  11.886
  148    HA   ILE  19           HA       ILE  19  -5.211 -11.484  11.193
  149    HB   ILE  19           HB       ILE  19  -4.143 -13.023   9.633
  150   HG12  ILE  19          HG12      ILE  19  -1.578 -11.448   9.844
  151   HG13  ILE  19          HG13      ILE  19  -1.854 -12.775  10.984
  152   HG21  ILE  19          HG21      ILE  19  -3.377 -10.137   9.023
  153   HG22  ILE  19          HG22      ILE  19  -3.751 -11.428   7.878
  154   HG23  ILE  19          HG23      ILE  19  -5.027 -10.776   8.915
  155   HD11  ILE  19          HD11      ILE  19  -1.880 -12.980   7.969
  156   HD12  ILE  19          HD12      ILE  19  -0.640 -13.600   9.100
  157   HD13  ILE  19          HD13      ILE  19  -2.280 -14.297   9.107
  158    H    VAL  20           H        VAL  20  -3.783 -11.658  13.893
  159    HA   VAL  20           HA       VAL  20  -2.905 -14.124  14.519
  160    HB   VAL  20           HB       VAL  20  -3.047 -12.106  15.975
  161   HG11  VAL  20          HG11      VAL  20  -5.850 -13.083  16.668
  162   HG12  VAL  20          HG12      VAL  20  -4.966 -11.749  17.437
  163   HG13  VAL  20          HG13      VAL  20  -5.471 -11.609  15.747
  164   HG21  VAL  20          HG21      VAL  20  -3.122 -13.311  18.092
  165   HG22  VAL  20          HG22      VAL  20  -3.967 -14.674  17.323
  166   HG23  VAL  20          HG23      VAL  20  -2.294 -14.282  16.862
  167    H    ASP  21           H        ASP  21  -6.374 -13.431  14.097
  168    HA   ASP  21           HA       ASP  21  -6.976 -16.285  14.697
  169    HB2  ASP  21           HB2      ASP  21  -8.023 -14.580  16.144
  170    HB3  ASP  21           HB3      ASP  21  -8.778 -13.845  14.730
  171    H    ALA  22           H        ALA  22  -6.180 -14.541  12.127
  172    HA   ALA  22           HA       ALA  22  -8.497 -15.132  10.387
  173    HB1  ALA  22           HB1      ALA  22  -6.375 -13.001  10.115
  174    HB2  ALA  22           HB2      ALA  22  -7.684 -13.322   8.986
  175    HB3  ALA  22           HB3      ALA  22  -8.061 -12.750  10.627
  176    H    GLU  23           H        GLU  23  -8.253 -16.431   8.827
  177    HA   GLU  23           HA       GLU  23  -5.741 -16.748   7.352
  178    HB2  GLU  23           HB2      GLU  23  -7.197 -19.312   7.929
  179    HB3  GLU  23           HB3      GLU  23  -5.587 -19.062   7.295
  180    HG2  GLU  23           HG2      GLU  23  -5.158 -19.955   9.368
  181    HG3  GLU  23           HG3      GLU  23  -4.980 -18.238   9.705
  182    H    ASP  24           H        ASP  24  -9.290 -17.109   7.700
  183    HA   ASP  24           HA       ASP  24  -9.722 -18.253   5.093
  184    HB2  ASP  24           HB2      ASP  24 -11.577 -16.960   7.143
  185    HB3  ASP  24           HB3      ASP  24 -12.078 -17.873   5.731
  186    H    LYS  25           H        LYS  25 -10.393 -16.986   3.278
  187    HA   LYS  25           HA       LYS  25  -8.954 -14.685   2.966
  188    HB2  LYS  25           HB2      LYS  25  -9.876 -14.365   0.846
  189    HB3  LYS  25           HB3      LYS  25  -9.817 -16.091   1.103
  190    HG2  LYS  25           HG2      LYS  25 -12.305 -14.325   1.315
  191    HG3  LYS  25           HG3      LYS  25 -11.844 -15.237  -0.099
  192    HD2  LYS  25           HD2      LYS  25 -12.586 -16.466   2.589
  193    HD3  LYS  25           HD3      LYS  25 -13.664 -16.303   1.221
  194    HE2  LYS  25           HE2      LYS  25 -11.074 -17.925   1.163
  195    HE3  LYS  25           HE3      LYS  25 -12.672 -18.593   1.493
  196    HZ1  LYS  25           HZ1      LYS  25 -11.884 -17.280  -1.043
  197    HZ2  LYS  25           HZ2      LYS  25 -12.084 -18.879  -0.811
  198    HZ3  LYS  25           HZ3      LYS  25 -13.369 -17.887  -0.716
  199    H    GLU  26           H        GLU  26 -12.326 -14.754   4.035
  200    HA   GLU  26           HA       GLU  26 -12.783 -11.923   3.741
  201    HB2  GLU  26           HB2      GLU  26 -14.114 -14.046   5.490
  202    HB3  GLU  26           HB3      GLU  26 -14.700 -12.390   5.305
  203    HG2  GLU  26           HG2      GLU  26 -14.956 -12.761   2.850
  204    HG3  GLU  26           HG3      GLU  26 -14.428 -14.431   3.053
  205    H    GLU  27           H        GLU  27 -11.514 -14.024   6.393
  206    HA   GLU  27           HA       GLU  27 -11.595 -11.964   8.408
  207    HB2  GLU  27           HB2      GLU  27  -9.828 -14.425   8.222
  208    HB3  GLU  27           HB3      GLU  27 -10.198 -13.494   9.677
  209    HG2  GLU  27           HG2      GLU  27 -12.504 -14.228   9.643
  210    HG3  GLU  27           HG3      GLU  27 -12.261 -15.081   8.111
  211    H    ARG  28           H        ARG  28  -9.038 -13.350   6.226
  212    HA   ARG  28           HA       ARG  28  -6.939 -11.689   7.254
  213    HB2  ARG  28           HB2      ARG  28  -7.365 -13.108   4.600
  214    HB3  ARG  28           HB3      ARG  28  -5.957 -12.072   4.902
  215    HG2  ARG  28           HG2      ARG  28  -5.283 -13.433   6.810
  216    HG3  ARG  28           HG3      ARG  28  -6.679 -14.504   6.581
  217    HD2  ARG  28           HD2      ARG  28  -5.844 -15.352   4.522
  218    HD3  ARG  28           HD3      ARG  28  -4.738 -14.001   4.308
  219    HE   ARG  28           HE       ARG  28  -3.424 -14.844   6.232
  220   HH11  ARG  28          HH21      ARG  28  -5.450 -17.281   4.616
  221   HH12  ARG  28          HH22      ARG  28  -4.197 -18.467   4.556
  222   HH21  ARG  28          HH11      ARG  28  -1.863 -16.508   6.372
  223   HH22  ARG  28          HH12      ARG  28  -2.187 -18.067   5.725
  224    H    ALA  29           H        ALA  29  -9.258 -11.148   4.525
  225    HA   ALA  29           HA       ALA  29  -8.248  -8.654   3.750
  226    HB1  ALA  29           HB1      ALA  29 -10.440  -8.331   2.716
  227    HB2  ALA  29           HB2      ALA  29  -9.948 -10.013   2.520
  228    HB3  ALA  29           HB3      ALA  29 -11.153  -9.592   3.749
  229    H    MET  30           H        MET  30 -10.745  -9.403   6.286
  230    HA   MET  30           HA       MET  30 -11.098  -6.669   7.051
  231    HB2  MET  30           HB2      MET  30 -11.639  -9.265   8.514
  232    HB3  MET  30           HB3      MET  30 -12.048  -7.674   9.157
  233    HG2  MET  30           HG2      MET  30 -13.102  -8.824   6.548
  234    HG3  MET  30           HG3      MET  30 -13.956  -8.763   8.078
  235    HE1  MET  30           HE1      MET  30 -12.140  -5.873   5.548
  236    HE2  MET  30           HE2      MET  30 -13.084  -7.190   4.838
  237    HE3  MET  30           HE3      MET  30 -13.737  -5.538   4.894
  238    H    GLY  31           H        GLY  31  -8.877  -9.162   8.404
  239    HA2  GLY  31           HA2      GLY  31  -7.946  -7.634  10.581
  240    HA3  GLY  31           HA3      GLY  31  -7.033  -8.896   9.723
  241    H    TRP  32           H        TRP  32  -6.664  -7.887   7.212
  242    HA   TRP  32           HA       TRP  32  -4.606  -5.962   7.569
  243    HB2  TRP  32           HB2      TRP  32  -5.996  -7.149   5.160
  244    HB3  TRP  32           HB3      TRP  32  -4.889  -5.795   4.975
  245    HD1  TRP  32           HD1      TRP  32  -4.863  -9.502   5.749
  246    HE1  TRP  32           HE1      TRP  32  -2.471 -10.376   5.724
  247    HE3  TRP  32           HE3      TRP  32  -2.423  -5.038   5.496
  248    HZ2  TRP  32           HZ2      TRP  32   0.213  -9.226   5.984
  249    HZ3  TRP  32           HZ3      TRP  32   0.048  -4.940   5.617
  250    HH2  TRP  32           HH2      TRP  32   1.375  -7.026   5.877
  251    H    TYR  33           H        TYR  33  -8.002  -5.608   6.373
  252    HA   TYR  33           HA       TYR  33  -7.911  -2.908   5.633
  253    HB2  TYR  33           HB2      TYR  33  -9.773  -4.177   4.985
  254    HB3  TYR  33           HB3      TYR  33 -10.029  -4.813   6.588
  255    HD1  TYR  33           HD1      TYR  33  -9.946  -1.304   5.170
  256    HD2  TYR  33           HD2      TYR  33 -12.075  -4.281   7.448
  257    HE1  TYR  33           HE1      TYR  33 -11.803   0.291   5.538
  258    HE2  TYR  33           HE2      TYR  33 -13.912  -2.681   7.841
  259    HH   TYR  33           HH       TYR  33 -14.715  -0.523   7.467
  260    H    TYR  34           H        TYR  34  -8.693  -4.313   8.887
  261    HA   TYR  34           HA       TYR  34  -9.352  -1.822  10.076
  262    HB2  TYR  34           HB2      TYR  34  -8.188  -4.315  11.371
  263    HB3  TYR  34           HB3      TYR  34  -9.004  -3.006  12.206
  264    HD1  TYR  34           HD1      TYR  34 -11.257  -3.057   9.679
  265    HD2  TYR  34           HD2      TYR  34  -9.677  -5.803  12.623
  266    HE1  TYR  34           HE1      TYR  34 -13.380  -4.306   9.663
  267    HE2  TYR  34           HE2      TYR  34 -11.798  -7.067  12.588
  268    HH   TYR  34           HH       TYR  34 -13.951  -7.208  11.700
  269    H    TYR  35           H        TYR  35  -6.229  -3.643   9.981
  270    HA   TYR  35           HA       TYR  35  -4.818  -1.721  11.598
  271    HB2  TYR  35           HB2      TYR  35  -4.098  -4.054  11.377
  272    HB3  TYR  35           HB3      TYR  35  -3.917  -3.880   9.637
  273    HD1  TYR  35           HD1      TYR  35  -2.398  -3.102  12.927
  274    HD2  TYR  35           HD2      TYR  35  -2.012  -2.739   8.653
  275    HE1  TYR  35           HE1      TYR  35  -0.018  -2.471  13.199
  276    HE2  TYR  35           HE2      TYR  35   0.350  -2.047   8.906
  277    HH   TYR  35           HH       TYR  35   2.063  -1.604  10.387
  278    H    LEU  36           H        LEU  36  -5.188  -2.094   8.003
  279    HA   LEU  36           HA       LEU  36  -3.287  -0.069   7.374
  280    HB2  LEU  36           HB2      LEU  36  -5.360  -1.628   5.897
  281    HB3  LEU  36           HB3      LEU  36  -5.088  -0.014   5.282
  282    HG   LEU  36           HG       LEU  36  -2.772  -0.362   4.900
  283   HD11  LEU  36          HD11      LEU  36  -3.064  -3.013   6.344
  284   HD12  LEU  36          HD12      LEU  36  -1.707  -2.645   5.245
  285   HD13  LEU  36          HD13      LEU  36  -1.942  -1.672   6.689
  286   HD21  LEU  36          HD21      LEU  36  -2.917  -2.115   3.186
  287   HD22  LEU  36          HD22      LEU  36  -4.271  -2.890   4.032
  288   HD23  LEU  36          HD23      LEU  36  -4.489  -1.305   3.276
  289    H    ASP  37           H        ASP  37  -6.948   0.087   7.722
  290    HA   ASP  37           HA       ASP  37  -6.959   2.925   7.295
  291    HB2  ASP  37           HB2      ASP  37  -9.162   1.766   7.573
  292    HB3  ASP  37           HB3      ASP  37  -8.757   1.379   9.240
  293    H    ASP  38           H        ASP  38  -6.456   0.956  10.340
  294    HA   ASP  38           HA       ASP  38  -6.627   3.358  11.605
  295    HB2  ASP  38           HB2      ASP  38  -6.935   1.249  12.821
  296    HB3  ASP  38           HB3      ASP  38  -5.173   1.189  13.034
  297    H    THR  39           H        THR  39  -3.919   2.065   9.990
  298    HA   THR  39           HA       THR  39  -1.889   3.693  11.349
  299    HB   THR  39           HB       THR  39  -1.861   2.070   8.761
  300    HG1  THR  39           HG1      THR  39  -2.268   0.706  10.417
  301   HG21  THR  39          HG21      THR  39   0.391   3.170  10.499
  302   HG22  THR  39          HG22      THR  39   0.600   2.056   9.120
  303   HG23  THR  39          HG23      THR  39  -0.071   3.678   8.858
  304    H    LEU  40           H        LEU  40  -3.813   3.812   8.323
  305    HA   LEU  40           HA       LEU  40  -2.612   6.169   7.220
  306    HB2  LEU  40           HB2      LEU  40  -5.322   4.853   6.838
  307    HB3  LEU  40           HB3      LEU  40  -4.679   6.112   5.787
  308    HG   LEU  40           HG       LEU  40  -3.218   3.467   6.186
  309   HD11  LEU  40          HD11      LEU  40  -5.585   3.052   5.332
  310   HD12  LEU  40          HD12      LEU  40  -5.138   4.006   3.898
  311   HD13  LEU  40          HD13      LEU  40  -4.280   2.506   4.275
  312   HD21  LEU  40          HD21      LEU  40  -2.336   3.919   3.937
  313   HD22  LEU  40          HD22      LEU  40  -3.162   5.488   3.918
  314   HD23  LEU  40          HD23      LEU  40  -1.876   5.151   5.104
  315    H    GLU  41           H        GLU  41  -3.097   8.291   7.623
  316    HA   GLU  41           HA       GLU  41  -5.365   8.945   9.451
  317    HB2  GLU  41           HB2      GLU  41  -2.573  10.112   9.278
  318    HB3  GLU  41           HB3      GLU  41  -3.904  10.891  10.143
  319    HG2  GLU  41           HG2      GLU  41  -2.916   8.068  10.727
  320    HG3  GLU  41           HG3      GLU  41  -2.396   9.505  11.593
  321    H    PHE  42           H        PHE  42  -6.401   8.717   7.348
  322    HA   PHE  42           HA       PHE  42  -6.343  10.579   5.261
  323    HB2  PHE  42           HB2      PHE  42  -8.742   9.233   6.565
  324    HB3  PHE  42           HB3      PHE  42  -8.690   9.885   4.950
  325    HD1  PHE  42           HD2      PHE  42  -7.465   8.745   3.123
  326    HD2  PHE  42           HD1      PHE  42  -7.830   6.985   7.062
  327    HE1  PHE  42           HE2      PHE  42  -7.174   6.463   2.167
  328    HE2  PHE  42           HE1      PHE  42  -7.612   4.747   6.073
  329    HZ   PHE  42           HZ       PHE  42  -7.317   4.479   3.616
  330    HA   PRO  43           HA       PRO  43  -8.071  11.645   3.946
  331    HB2  PRO  43           HB2      PRO  43  -8.445  14.144   2.960
  332    HB3  PRO  43           HB3      PRO  43  -9.780  13.187   3.665
  333    HG2  PRO  43           HG2      PRO  43  -8.123  15.343   5.014
  334    HG3  PRO  43           HG3      PRO  43  -9.906  15.160   5.006
  335    HD2  PRO  43           HD2      PRO  43  -8.336  14.265   7.072
  336    HD3  PRO  43           HD3      PRO  43  -9.823  13.406   6.576
  337    H    PHE  44           H        PHE  44  -6.514  12.122   2.252
  338    HA   PHE  44           HA       PHE  44  -4.305  13.937   2.851
  339    HB2  PHE  44           HB2      PHE  44  -2.550  12.326   2.620
  340    HB3  PHE  44           HB3      PHE  44  -3.541  11.901   4.000
  341    HD1  PHE  44           HD1      PHE  44  -2.572  10.979   0.558
  342    HD2  PHE  44           HD2      PHE  44  -4.657   9.707   4.095
  343    HE1  PHE  44           HE1      PHE  44  -2.683   8.700  -0.358
  344    HE2  PHE  44           HE2      PHE  44  -4.724   7.396   3.210
  345    HZ   PHE  44           HZ       PHE  44  -3.762   6.877   0.977
  346    H    MET  45           H        MET  45  -2.848  14.138   0.889
  347    HA   MET  45           HA       MET  45  -4.534  14.001  -1.543
  348    HB2  MET  45           HB2      MET  45  -3.315  16.096  -0.837
  349    HB3  MET  45           HB3      MET  45  -1.782  15.225  -1.014
  350    HG2  MET  45           HG2      MET  45  -2.415  14.805  -3.430
  351    HG3  MET  45           HG3      MET  45  -3.805  15.868  -3.191
  352    HE1  MET  45           HE1      MET  45  -2.957  17.207  -5.284
  353    HE2  MET  45           HE2      MET  45  -1.265  17.725  -5.507
  354    HE3  MET  45           HE3      MET  45  -1.672  15.990  -5.375
  355    H    GLY  46           H        GLY  46  -3.944  12.664  -3.390
  356    HA2  GLY  46           HA2      GLY  46  -1.310  11.405  -3.352
  357    HA3  GLY  46           HA3      GLY  46  -2.682  10.293  -3.258
  358    H    LYS  47           H        LYS  47  -1.024  10.069  -5.301
  359    HA   LYS  47           HA       LYS  47  -2.520  11.181  -7.631
  360    HB2  LYS  47           HB2      LYS  47   0.133  11.319  -7.474
  361    HB3  LYS  47           HB3      LYS  47   0.089   9.592  -7.751
  362    HG2  LYS  47           HG2      LYS  47   0.417  10.554  -9.880
  363    HG3  LYS  47           HG3      LYS  47  -1.275  10.068  -9.862
  364    HD2  LYS  47           HD2      LYS  47  -1.197  12.230 -10.873
  365    HD3  LYS  47           HD3      LYS  47  -1.860  12.482  -9.262
  366    HE2  LYS  47           HE2      LYS  47   0.257  13.332  -8.437
  367    HE3  LYS  47           HE3      LYS  47   1.083  12.875  -9.932
  368    HZ1  LYS  47           HZ1      LYS  47   0.500  15.256  -9.817
  369    HZ2  LYS  47           HZ2      LYS  47  -0.161  14.532 -11.115
  370    HZ3  LYS  47           HZ3      LYS  47  -1.099  14.893  -9.831
  371    H    TRP  48           H        TRP  48  -3.935   9.791  -8.558
  372    HA   TRP  48           HA       TRP  48  -3.947   6.928  -7.809
  373    HB2  TRP  48           HB2      TRP  48  -6.073   8.236  -7.957
  374    HB3  TRP  48           HB3      TRP  48  -5.760   8.538  -9.658
  375    HD1  TRP  48           HD1      TRP  48  -4.793   5.065  -9.199
  376    HE1  TRP  48           HE1      TRP  48  -6.591   3.424  -9.809
  377    HE3  TRP  48           HE3      TRP  48  -8.745   8.308  -9.228
  378    HZ2  TRP  48           HZ2      TRP  48  -9.505   3.467 -10.132
  379    HZ3  TRP  48           HZ3      TRP  48 -11.037   7.465  -9.668
  380    HH2  TRP  48           HH2      TRP  48 -11.431   5.050 -10.095
  381    H    LYS  49           H        LYS  49  -2.396   5.783  -8.862
  382    HA   LYS  49           HA       LYS  49  -1.519   6.419 -11.603
  383    HB2  LYS  49           HB2      LYS  49  -0.693   4.455  -9.434
  384    HB3  LYS  49           HB3      LYS  49  -0.223   4.178 -11.114
  385    HG2  LYS  49           HG2      LYS  49   0.847   6.328 -11.279
  386    HG3  LYS  49           HG3      LYS  49   0.352   6.776  -9.636
  387    HD2  LYS  49           HD2      LYS  49   1.806   5.157  -8.649
  388    HD3  LYS  49           HD3      LYS  49   2.074   4.327 -10.202
  389    HE2  LYS  49           HE2      LYS  49   3.244   6.240 -11.117
  390    HE3  LYS  49           HE3      LYS  49   2.882   7.221  -9.688
  391    HZ1  LYS  49           HZ1      LYS  49   4.559   4.781  -9.609
  392    HZ2  LYS  49           HZ2      LYS  49   5.143   6.303  -9.683
  393    HZ3  LYS  49           HZ3      LYS  49   4.293   5.840  -8.370
  394    H    LYS  50           H        LYS  50  -3.834   6.283 -12.275
  395    HA   LYS  50           HA       LYS  50  -5.276   3.787 -12.035
  396    HB2  LYS  50           HB2      LYS  50  -6.212   6.156 -12.205
  397    HB3  LYS  50           HB3      LYS  50  -5.826   6.124 -13.929
  398    HG2  LYS  50           HG2      LYS  50  -7.357   4.252 -14.276
  399    HG3  LYS  50           HG3      LYS  50  -7.593   4.062 -12.529
  400    HD2  LYS  50           HD2      LYS  50  -8.523   6.412 -12.466
  401    HD3  LYS  50           HD3      LYS  50  -8.485   6.440 -14.230
  402    HE2  LYS  50           HE2      LYS  50  -9.978   4.368 -12.547
  403    HE3  LYS  50           HE3      LYS  50 -10.712   5.863 -13.126
  404    HZ1  LYS  50           HZ1      LYS  50 -11.205   4.008 -14.581
  405    HZ2  LYS  50           HZ2      LYS  50 -10.341   5.126 -15.391
  406    HZ3  LYS  50           HZ3      LYS  50  -9.625   3.735 -14.888
  407    H    LYS  51           H        LYS  51  -5.111   2.009 -13.379
  408    HA   LYS  51           HA       LYS  51  -3.135   2.083 -15.498
  409    HB2  LYS  51           HB2      LYS  51  -3.257  -0.288 -15.457
  410    HB3  LYS  51           HB3      LYS  51  -3.309   0.301 -13.809
  411    HG2  LYS  51           HG2      LYS  51  -5.982   0.124 -14.217
  412    HG3  LYS  51           HG3      LYS  51  -5.473  -0.981 -15.493
  413    HD2  LYS  51           HD2      LYS  51  -5.905  -2.324 -13.554
  414    HD3  LYS  51           HD3      LYS  51  -4.135  -2.250 -13.715
  415    HE2  LYS  51           HE2      LYS  51  -4.160  -0.293 -12.085
  416    HE3  LYS  51           HE3      LYS  51  -5.891  -0.525 -11.889
  417    HZ1  LYS  51           HZ1      LYS  51  -5.433  -2.682 -10.919
  418    HZ2  LYS  51           HZ2      LYS  51  -3.816  -2.511 -11.176
  419    HZ3  LYS  51           HZ3      LYS  51  -4.590  -1.477 -10.161
  420    H    SER  52           H        SER  52  -6.199   3.153 -15.825
  421    HA   SER  52           HA       SER  52  -7.101   1.479 -17.985
  422    HB2  SER  52           HB2      SER  52  -8.257   4.134 -17.138
  423    HB3  SER  52           HB3      SER  52  -9.084   2.731 -17.848
  424    HG   SER  52           HG       SER  52  -8.656   1.591 -15.910
  425    H    ARG  53           H        ARG  53  -4.568   3.290 -18.406
  426    HA   ARG  53           HA       ARG  53  -5.326   5.065 -20.610
  427    HB2  ARG  53           HB2      ARG  53  -3.318   5.138 -18.906
  428    HB3  ARG  53           HB3      ARG  53  -2.582   3.984 -19.990
  429    HG2  ARG  53           HG2      ARG  53  -2.628   5.655 -21.828
  430    HG3  ARG  53           HG3      ARG  53  -3.462   6.801 -20.746
  431    HD2  ARG  53           HD2      ARG  53  -1.568   6.690 -19.178
  432    HD3  ARG  53           HD3      ARG  53  -0.733   5.528 -20.228
  433    HE   ARG  53           HE       ARG  53  -1.247   7.807 -21.780
  434   HH11  ARG  53          HH11      ARG  53   0.585   6.994 -18.835
  435   HH12  ARG  53          HH12      ARG  53   1.806   8.192 -19.100
  436   HH21  ARG  53          HH21      ARG  53   0.380   9.419 -22.115
  437   HH22  ARG  53          HH22      ARG  53   1.675   9.605 -20.997
  438    H    LYS  54           H        LYS  54  -3.646   4.448 -22.673
  439    HA   LYS  54           HA       LYS  54  -4.917   2.472 -24.133
  440    HB2  LYS  54           HB2      LYS  54  -3.052   2.566 -25.701
  441    HB3  LYS  54           HB3      LYS  54  -3.540   4.172 -25.167
  442    HG2  LYS  54           HG2      LYS  54  -1.576   4.251 -23.620
  443    HG3  LYS  54           HG3      LYS  54  -1.116   2.623 -24.131
  444    HD2  LYS  54           HD2      LYS  54   0.272   4.206 -25.271
  445    HD3  LYS  54           HD3      LYS  54  -0.794   3.429 -26.451
  446    HE2  LYS  54           HE2      LYS  54  -2.285   5.423 -26.413
  447    HE3  LYS  54           HE3      LYS  54  -1.247   6.181 -25.198
  448    HZ1  LYS  54           HZ1      LYS  54  -0.755   6.986 -27.418
  449    HZ2  LYS  54           HZ2      LYS  54   0.544   6.195 -26.837
  450    HZ3  LYS  54           HZ3      LYS  54  -0.415   5.488 -27.957
  451    H    THR  55           H        THR  55  -4.614   0.315 -24.582
  452    HA   THR  55           HA       THR  55  -4.420  -1.819 -23.951
  453    HB   THR  55           HB       THR  55  -1.556  -1.160 -23.173
  454    HG1  THR  55           HG1      THR  55  -2.079  -0.457 -25.274
  455   HG21  THR  55          HG21      THR  55  -2.290  -3.445 -22.517
  456   HG22  THR  55          HG22      THR  55  -2.858  -3.740 -24.172
  457   HG23  THR  55          HG23      THR  55  -1.126  -3.498 -23.847
  458    H    SER  56           H        SER  56  -2.193  -1.132 -21.290
  459    HA   SER  56           HA       SER  56  -4.335  -0.642 -19.354
  460    HB2  SER  56           HB2      SER  56  -2.397  -2.980 -19.001
  461    HB3  SER  56           HB3      SER  56  -3.687  -2.486 -17.893
  462    HG   SER  56           HG       SER  56  -4.263  -4.290 -19.180
  463    H    THR  57           H        THR  57  -2.149   0.954 -20.520
  464    HA   THR  57           HA       THR  57   0.109   0.859 -18.690
  465    HB   THR  57           HB       THR  57   0.804   2.944 -19.944
  466    HG1  THR  57           HG1      THR  57  -1.311   2.229 -21.706
  467   HG21  THR  57          HG21      THR  57   1.629   0.707 -20.554
  468   HG22  THR  57          HG22      THR  57   0.223   0.457 -21.611
  469   HG23  THR  57          HG23      THR  57   1.409   1.726 -21.985
  470    H    ILE  58           H        ILE  58   0.824   2.850 -17.464
  471    HA   ILE  58           HA       ILE  58  -1.375   3.547 -15.670
  472    HB   ILE  58           HB       ILE  58   1.606   4.103 -15.611
  473   HG12  ILE  58          HG12      ILE  58   1.041   1.708 -15.365
  474   HG13  ILE  58          HG13      ILE  58   1.767   2.386 -13.920
  475   HG21  ILE  58          HG21      ILE  58  -0.484   4.713 -13.489
  476   HG22  ILE  58          HG22      ILE  58   1.272   4.675 -13.183
  477   HG23  ILE  58          HG23      ILE  58   0.596   5.852 -14.306
  478   HD11  ILE  58          HD11      ILE  58  -0.443   2.452 -12.812
  479   HD12  ILE  58          HD12      ILE  58  -1.207   1.820 -14.290
  480   HD13  ILE  58          HD13      ILE  58  -0.053   0.828 -13.390
  481    H    GLU  59           H        GLU  59  -2.278   5.450 -15.392
  482    HA   GLU  59           HA       GLU  59  -1.296   7.888 -16.770
  483    HB2  GLU  59           HB2      GLU  59  -3.371   7.086 -17.878
  484    HB3  GLU  59           HB3      GLU  59  -4.189   6.982 -16.317
  485    HG2  GLU  59           HG2      GLU  59  -4.033   9.422 -16.052
  486    HG3  GLU  59           HG3      GLU  59  -3.058   9.544 -17.520
  487    H    GLU  60           H        GLU  60  -1.579   9.757 -15.330
  488    HA   GLU  60           HA       GLU  60  -1.731   8.964 -12.452
  489    HB2  GLU  60           HB2      GLU  60   0.187  10.756 -13.991
  490    HB3  GLU  60           HB3      GLU  60   0.012  10.832 -12.235
  491    HG2  GLU  60           HG2      GLU  60   0.529   8.450 -12.035
  492    HG3  GLU  60           HG3      GLU  60   0.716   8.315 -13.788
  493    H    LYS  61           H        LYS  61  -3.551   9.757 -11.616
  494    HA   LYS  61           HA       LYS  61  -4.428  12.496 -12.486
  495    HB2  LYS  61           HB2      LYS  61  -5.883  10.521 -13.168
  496    HB3  LYS  61           HB3      LYS  61  -6.202  10.256 -11.438
  497    HG2  LYS  61           HG2      LYS  61  -7.120  12.563 -11.259
  498    HG3  LYS  61           HG3      LYS  61  -6.710  12.863 -12.951
  499    HD2  LYS  61           HD2      LYS  61  -9.038  12.431 -12.808
  500    HD3  LYS  61           HD3      LYS  61  -8.297  11.062 -13.642
  501    HE2  LYS  61           HE2      LYS  61  -8.516   9.642 -11.695
  502    HE3  LYS  61           HE3      LYS  61  -8.848  11.035 -10.649
  503    HZ1  LYS  61           HZ1      LYS  61 -10.896   9.877 -11.179
  504    HZ2  LYS  61           HZ2      LYS  61 -10.903  11.401 -11.801
  505    HZ3  LYS  61           HZ3      LYS  61 -10.667  10.102 -12.789
  506    H    THR  62           H        THR  62  -4.340  14.006 -10.901
  507    HA   THR  62           HA       THR  62  -3.602  13.339  -8.232
  508    HB   THR  62           HB       THR  62  -4.775  15.966  -9.221
  509    HG1  THR  62           HG1      THR  62  -2.921  16.385 -10.237
  510   HG21  THR  62          HG21      THR  62  -3.087  16.898  -7.690
  511   HG22  THR  62          HG22      THR  62  -4.139  15.761  -6.818
  512   HG23  THR  62          HG23      THR  62  -2.510  15.251  -7.313
  513    H    VAL  63           H        VAL  63  -4.868  12.908  -6.434
  514    HA   VAL  63           HA       VAL  63  -7.709  13.652  -6.461
  515    HB   VAL  63           HB       VAL  63  -8.374  11.480  -5.666
  516   HG11  VAL  63          HG11      VAL  63  -6.918  11.103  -8.325
  517   HG12  VAL  63          HG12      VAL  63  -8.342  10.232  -7.725
  518   HG13  VAL  63          HG13      VAL  63  -8.462  11.948  -8.129
  519   HG21  VAL  63          HG21      VAL  63  -6.929   9.491  -5.831
  520   HG22  VAL  63          HG22      VAL  63  -5.548  10.497  -6.311
  521   HG23  VAL  63          HG23      VAL  63  -6.248  10.650  -4.685
  522    H    GLU  64           H        GLU  64  -8.615  13.608  -4.358
  523    HA   GLU  64           HA       GLU  64  -6.714  13.794  -2.056
  524    HB2  GLU  64           HB2      GLU  64  -8.173  15.806  -2.502
  525    HB3  GLU  64           HB3      GLU  64  -9.592  14.791  -2.266
  526    HG2  GLU  64           HG2      GLU  64  -8.879  14.292   0.052
  527    HG3  GLU  64           HG3      GLU  64  -7.376  15.176  -0.201
  528    H    VAL  65           H        VAL  65  -6.631  11.905  -0.945
  529    HA   VAL  65           HA       VAL  65  -8.627   9.786  -1.361
  530    HB   VAL  65           HB       VAL  65  -6.132   9.762   0.404
  531   HG11  VAL  65          HG11      VAL  65  -6.257   7.359   0.149
  532   HG12  VAL  65          HG12      VAL  65  -7.869   7.926   0.634
  533   HG13  VAL  65          HG13      VAL  65  -7.549   7.485  -1.050
  534   HG21  VAL  65          HG21      VAL  65  -5.276  10.336  -1.795
  535   HG22  VAL  65          HG22      VAL  65  -4.995   8.614  -1.553
  536   HG23  VAL  65          HG23      VAL  65  -6.345   9.149  -2.577
  537    H    LEU  66           H        LEU  66 -10.292   9.541  -0.054
  538    HA   LEU  66           HA       LEU  66 -10.583  11.468   2.146
  539    HB2  LEU  66           HB2      LEU  66 -12.623   9.567   0.955
  540    HB3  LEU  66           HB3      LEU  66 -12.932  11.038   1.873
  541    HG   LEU  66           HG       LEU  66 -11.715  10.869  -0.924
  542   HD11  LEU  66          HD11      LEU  66 -13.786  11.885  -1.659
  543   HD12  LEU  66          HD12      LEU  66 -14.062  10.325  -0.884
  544   HD13  LEU  66          HD13      LEU  66 -14.435  11.831  -0.002
  545   HD21  LEU  66          HD21      LEU  66 -11.884  13.317  -0.982
  546   HD22  LEU  66          HD22      LEU  66 -12.364  13.340   0.735
  547   HD23  LEU  66          HD23      LEU  66 -10.744  12.782   0.239
  548    H    GLY  67           H        GLY  67 -10.419   7.943   1.760
  549    HA2  GLY  67           HA2      GLY  67  -9.998   7.195   4.407
  550    HA3  GLY  67           HA3      GLY  67 -11.751   7.290   4.193
  551    H    MET  68           H        MET  68 -10.613   4.849   4.673
  552    HA   MET  68           HA       MET  68 -10.267   3.311   2.231
  553    HB2  MET  68           HB2      MET  68 -11.214   2.473   5.002
  554    HB3  MET  68           HB3      MET  68 -10.906   1.358   3.669
  555    HG2  MET  68           HG2      MET  68  -8.824   3.151   4.947
  556    HG3  MET  68           HG3      MET  68  -9.076   1.461   5.344
  557    HE1  MET  68           HE1      MET  68  -7.633  -0.530   2.406
  558    HE2  MET  68           HE2      MET  68  -8.041  -0.552   4.130
  559    HE3  MET  68           HE3      MET  68  -9.313  -0.264   2.912
  560    H    ALA  69           H        ALA  69 -11.852   1.997   1.241
  561    HA   ALA  69           HA       ALA  69 -14.522   3.090   0.994
  562    HB1  ALA  69           HB1      ALA  69 -13.274   1.877  -0.800
  563    HB2  ALA  69           HB2      ALA  69 -13.402   0.383   0.174
  564    HB3  ALA  69           HB3      ALA  69 -14.852   1.155  -0.487
  565    HA   PRO  70           HA       PRO  70 -16.787   0.842   4.147
  566    HB2  PRO  70           HB2      PRO  70 -18.245  -0.604   1.923
  567    HB3  PRO  70           HB3      PRO  70 -18.919   0.145   3.407
  568    HG2  PRO  70           HG2      PRO  70 -19.086   1.455   1.048
  569    HG3  PRO  70           HG3      PRO  70 -18.592   2.352   2.523
  570    HD2  PRO  70           HD2      PRO  70 -16.849   1.227   0.328
  571    HD3  PRO  70           HD3      PRO  70 -16.759   2.832   1.119
  572    H    ASP  71           H        ASP  71 -16.871  -1.216   5.205
  573    HA   ASP  71           HA       ASP  71 -14.828  -3.023   4.740
  574    HB2  ASP  71           HB2      ASP  71 -15.692  -4.311   6.440
  575    HB3  ASP  71           HB3      ASP  71 -16.260  -2.696   6.839
  576    H    ASP  72           H        ASP  72 -18.089  -3.037   3.284
  577    HA   ASP  72           HA       ASP  72 -18.045  -5.725   2.367
  578    HB2  ASP  72           HB2      ASP  72 -20.068  -4.292   2.319
  579    HB3  ASP  72           HB3      ASP  72 -19.347  -3.327   1.025
  580    H    GLU  73           H        GLU  73 -16.516  -2.811   1.113
  581    HA   GLU  73           HA       GLU  73 -15.668  -4.119  -1.414
  582    HB2  GLU  73           HB2      GLU  73 -15.056  -1.397  -0.192
  583    HB3  GLU  73           HB3      GLU  73 -14.390  -1.967  -1.720
  584    HG2  GLU  73           HG2      GLU  73 -17.376  -1.648  -1.179
  585    HG3  GLU  73           HG3      GLU  73 -16.358  -0.427  -1.926
  586    H    CYS  74           H        CYS  74 -14.380  -3.097   1.761
  587    HA   CYS  74           HA       CYS  74 -11.739  -3.920   1.103
  588    HB2  CYS  74           HB2      CYS  74 -12.905  -3.305   3.827
  589    HB3  CYS  74           HB3      CYS  74 -11.188  -3.480   3.422
  590    HG   CYS  74           HG       CYS  74 -13.416  -1.270   2.410
  591    H    LEU  75           H        LEU  75 -14.242  -5.896   1.468
  592    HA   LEU  75           HA       LEU  75 -12.852  -8.177   2.742
  593    HB2  LEU  75           HB2      LEU  75 -15.540  -7.727   1.403
  594    HB3  LEU  75           HB3      LEU  75 -14.948  -9.361   1.621
  595    HG   LEU  75           HG       LEU  75 -15.234  -7.448   3.961
  596   HD11  LEU  75          HD11      LEU  75 -17.359  -8.570   4.440
  597   HD12  LEU  75          HD12      LEU  75 -17.413  -7.778   2.858
  598   HD13  LEU  75          HD13      LEU  75 -17.207  -9.539   2.952
  599   HD21  LEU  75          HD21      LEU  75 -15.033 -10.484   3.798
  600   HD22  LEU  75          HD22      LEU  75 -13.729  -9.404   4.324
  601   HD23  LEU  75          HD23      LEU  75 -15.206  -9.526   5.283
  602    H    LYS  76           H        LYS  76 -13.087  -6.627  -0.342
  603    HA   LYS  76           HA       LYS  76 -12.598  -9.137  -1.862
  604    HB2  LYS  76           HB2      LYS  76 -13.223  -6.351  -2.927
  605    HB3  LYS  76           HB3      LYS  76 -13.237  -7.874  -3.814
  606    HG2  LYS  76           HG2      LYS  76 -15.172  -8.624  -2.356
  607    HG3  LYS  76           HG3      LYS  76 -15.175  -7.008  -1.623
  608    HD2  LYS  76           HD2      LYS  76 -15.486  -6.039  -3.964
  609    HD3  LYS  76           HD3      LYS  76 -15.656  -7.696  -4.550
  610    HE2  LYS  76           HE2      LYS  76 -17.869  -6.895  -4.285
  611    HE3  LYS  76           HE3      LYS  76 -17.597  -7.980  -2.916
  612    HZ1  LYS  76           HZ1      LYS  76 -17.442  -5.008  -2.841
  613    HZ2  LYS  76           HZ2      LYS  76 -18.651  -5.898  -2.192
  614    HZ3  LYS  76           HZ3      LYS  76 -17.172  -6.002  -1.553
  615    H    ASP  77           H        ASP  77 -11.318  -5.824  -1.322
  616    HA   ASP  77           HA       ASP  77  -8.574  -6.639  -1.629
  617    HB2  ASP  77           HB2      ASP  77  -9.381  -6.387  -4.061
  618    HB3  ASP  77           HB3      ASP  77  -9.666  -4.687  -3.703
  619    H    MET  78           H        MET  78  -7.227  -4.433  -1.364
  620    HA   MET  78           HA       MET  78  -8.603  -2.809   0.699
  621    HB2  MET  78           HB2      MET  78  -5.807  -2.644  -0.502
  622    HB3  MET  78           HB3      MET  78  -6.418  -1.584   0.770
  623    HG2  MET  78           HG2      MET  78  -6.068  -4.597   0.957
  624    HG3  MET  78           HG3      MET  78  -5.057  -3.369   1.696
  625    HE1  MET  78           HE1      MET  78  -7.495  -5.971   2.354
  626    HE2  MET  78           HE2      MET  78  -8.755  -5.330   3.418
  627    HE3  MET  78           HE3      MET  78  -8.765  -4.910   1.701
  628    H    TYR  79           H        TYR  79  -9.830  -1.063   0.180
  629    HA   TYR  79           HA       TYR  79  -9.361   0.369  -2.393
  630    HB2  TYR  79           HB2      TYR  79 -11.923  -0.671  -1.115
  631    HB3  TYR  79           HB3      TYR  79 -11.941   0.679  -2.230
  632    HD1  TYR  79           HD1      TYR  79 -11.401   0.424  -4.615
  633    HD2  TYR  79           HD2      TYR  79 -11.831  -2.930  -1.943
  634    HE1  TYR  79           HE1      TYR  79 -11.888  -1.041  -6.544
  635    HE2  TYR  79           HE2      TYR  79 -12.255  -4.419  -3.860
  636    HH   TYR  79           HH       TYR  79 -12.530  -4.560  -6.180
  637    H    VAL  80           H        VAL  80 -10.034   2.527  -2.393
  638    HA   VAL  80           HA       VAL  80 -10.564   3.846   0.206
  639    HB   VAL  80           HB       VAL  80  -8.865   5.595  -0.577
  640   HG11  VAL  80          HG11      VAL  80  -7.799   2.901   0.344
  641   HG12  VAL  80          HG12      VAL  80  -6.977   4.474   0.492
  642   HG13  VAL  80          HG13      VAL  80  -8.477   4.188   1.369
  643   HG21  VAL  80          HG21      VAL  80  -8.450   4.721  -2.876
  644   HG22  VAL  80          HG22      VAL  80  -6.963   4.836  -1.925
  645   HG23  VAL  80          HG23      VAL  80  -7.727   3.254  -2.187
  646    H    GLU  81           H        GLU  81 -11.738   5.721   0.019
  647    HA   GLU  81           HA       GLU  81 -13.115   6.220  -2.560
  648    HB2  GLU  81           HB2      GLU  81 -13.448   7.411   0.236
  649    HB3  GLU  81           HB3      GLU  81 -14.355   7.914  -1.200
  650    HG2  GLU  81           HG2      GLU  81 -15.200   5.561  -1.450
  651    HG3  GLU  81           HG3      GLU  81 -14.402   5.144   0.067
  652    H    VAL  82           H        VAL  82 -12.636   8.074  -3.755
  653    HA   VAL  82           HA       VAL  82 -10.594   9.937  -2.689
  654    HB   VAL  82           HB       VAL  82  -9.190   9.695  -4.644
  655   HG11  VAL  82          HG11      VAL  82  -8.185   7.533  -4.331
  656   HG12  VAL  82          HG12      VAL  82  -8.763   8.119  -2.768
  657   HG13  VAL  82          HG13      VAL  82  -9.673   6.870  -3.635
  658   HG21  VAL  82          HG21      VAL  82 -11.067   7.515  -5.651
  659   HG22  VAL  82          HG22      VAL  82 -10.778   9.101  -6.406
  660   HG23  VAL  82          HG23      VAL  82  -9.482   7.907  -6.345
  661    H    ALA  83           H        ALA  83 -10.669  11.996  -3.589
  662    HA   ALA  83           HA       ALA  83 -13.083  12.577  -5.257
  663    HB1  ALA  83           HB1      ALA  83 -13.319  13.603  -3.031
  664    HB2  ALA  83           HB2      ALA  83 -11.700  14.333  -3.183
  665    HB3  ALA  83           HB3      ALA  83 -13.015  14.839  -4.259
  666    H    ASP  84           H        ASP  84 -12.668  13.769  -7.101
  667    HA   ASP  84           HA       ASP  84  -9.930  13.513  -8.062
  668    HB2  ASP  84           HB2      ASP  84 -12.295  13.275  -9.233
  669    HB3  ASP  84           HB3      ASP  84 -12.175  15.016  -9.444
  670    H    ILE  85           H        ILE  85  -8.425  15.093  -8.425
  671    HA   ILE  85           HA       ILE  85  -9.212  17.935  -8.012
  672    HB   ILE  85           HB       ILE  85  -6.409  17.077  -7.393
  673   HG12  ILE  85          HG12      ILE  85  -8.566  17.042  -5.232
  674   HG13  ILE  85          HG13      ILE  85  -7.743  15.633  -5.881
  675   HG21  ILE  85          HG21      ILE  85  -6.390  19.117  -6.060
  676   HG22  ILE  85          HG22      ILE  85  -7.128  19.512  -7.603
  677   HG23  ILE  85          HG23      ILE  85  -8.156  19.258  -6.172
  678   HD11  ILE  85          HD11      ILE  85  -5.526  16.744  -5.193
  679   HD12  ILE  85          HD12      ILE  85  -6.531  17.840  -4.214
  680   HD13  ILE  85          HD13      ILE  85  -6.542  16.103  -3.908
  681    H    GLY  86           H        GLY  86  -7.691  15.503 -10.030
  682    HA2  GLY  86           HA2      GLY  86  -6.086  17.546 -11.499
  683    HA3  GLY  86           HA3      GLY  86  -5.836  15.803 -11.483
  684    H    GLY  87           H        GLY  87  -8.721  15.184 -11.943
  685    HA2  GLY  87           HA2      GLY  87  -8.821  15.729 -14.884
  686    HA3  GLY  87           HA3      GLY  87  -9.485  14.329 -14.020
  687    H    LYS  88           H        LYS  88 -10.569  15.902 -11.824
  688    HA   LYS  88           HA       LYS  88 -12.530  17.777 -12.932
  689    HB2  LYS  88           HB2      LYS  88 -13.376  15.318 -11.321
  690    HB3  LYS  88           HB3      LYS  88 -14.417  16.664 -11.773
  691    HG2  LYS  88           HG2      LYS  88 -14.140  16.065 -14.179
  692    HG3  LYS  88           HG3      LYS  88 -13.154  14.664 -13.691
  693    HD2  LYS  88           HD2      LYS  88 -15.045  13.856 -12.293
  694    HD3  LYS  88           HD3      LYS  88 -16.049  15.193 -12.889
  695    HE2  LYS  88           HE2      LYS  88 -15.794  14.290 -15.209
  696    HE3  LYS  88           HE3      LYS  88 -14.802  12.972 -14.567
  697    HZ1  LYS  88           HZ1      LYS  88 -16.983  12.140 -14.741
  698    HZ2  LYS  88           HZ2      LYS  88 -16.792  12.420 -13.127
  699    HZ3  LYS  88           HZ3      LYS  88 -17.666  13.449 -14.049
  700    H    ASP  89           H        ASP  89 -13.832  18.515 -10.763
  701    HA   ASP  89           HA       ASP  89 -12.008  18.557  -8.409
  702    HB2  ASP  89           HB2      ASP  89 -11.527  20.502  -9.896
  703    HB3  ASP  89           HB3      ASP  89 -13.211  21.000  -9.762
  704    H    ASP  90           H        ASP  90 -14.891  17.537  -9.346
  705    HA   ASP  90           HA       ASP  90 -16.369  18.363  -6.918
  706    HB2  ASP  90           HB2      ASP  90 -16.726  20.073  -8.741
  707    HB3  ASP  90           HB3      ASP  90 -17.377  18.778  -9.750
  708    H    ASP  91           H        ASP  91 -15.220  15.812  -8.022
  709    HA   ASP  91           HA       ASP  91 -17.663  14.148  -8.005
  710    HB2  ASP  91           HB2      ASP  91 -16.989  14.710 -10.407
  711    HB3  ASP  91           HB3      ASP  91 -15.495  13.819 -10.097
  712    H    VAL  92           H        VAL  92 -17.106  11.833  -7.646
  713    HA   VAL  92           HA       VAL  92 -14.611  11.437  -6.128
  714    HB   VAL  92           HB       VAL  92 -17.326  10.838  -4.935
  715   HG11  VAL  92          HG11      VAL  92 -15.463   9.479  -4.007
  716   HG12  VAL  92          HG12      VAL  92 -14.608  10.975  -3.588
  717   HG13  VAL  92          HG13      VAL  92 -16.147  10.575  -2.813
  718   HG21  VAL  92          HG21      VAL  92 -17.202  13.282  -5.004
  719   HG22  VAL  92          HG22      VAL  92 -16.925  12.746  -3.351
  720   HG23  VAL  92          HG23      VAL  92 -15.547  13.247  -4.353
  721    H    TYR  93           H        TYR  93 -14.066   9.315  -5.919
  722    HA   TYR  93           HA       TYR  93 -15.497   7.226  -7.475
  723    HB2  TYR  93           HB2      TYR  93 -12.558   8.012  -7.711
  724    HB3  TYR  93           HB3      TYR  93 -13.318   6.671  -8.535
  725    HD1  TYR  93           HD2      TYR  93 -12.945  10.353  -8.466
  726    HD2  TYR  93           HD1      TYR  93 -14.666   6.975 -10.534
  727    HE1  TYR  93           HE2      TYR  93 -13.293  11.758 -10.479
  728    HE2  TYR  93           HE1      TYR  93 -14.989   8.371 -12.555
  729    HH   TYR  93           HH       TYR  93 -13.894  11.792 -12.699
  730    H    THR  94           H        THR  94 -13.992   5.205  -7.234
  731    HA   THR  94           HA       THR  94 -12.772   4.999  -4.533
  732    HB   THR  94           HB       THR  94 -14.341   2.673  -5.664
  733    HG1  THR  94           HG1      THR  94 -15.821   4.362  -5.385
  734   HG21  THR  94          HG21      THR  94 -14.364   1.923  -3.343
  735   HG22  THR  94          HG22      THR  94 -12.696   2.298  -3.810
  736   HG23  THR  94          HG23      THR  94 -13.607   3.440  -2.803
  737    H    ALA  95           H        ALA  95 -10.829   3.959  -4.591
  738    HA   ALA  95           HA       ALA  95  -9.863   2.825  -7.178
  739    HB1  ALA  95           HB1      ALA  95  -9.093   5.187  -6.954
  740    HB2  ALA  95           HB2      ALA  95  -8.418   4.813  -5.353
  741    HB3  ALA  95           HB3      ALA  95  -7.739   4.047  -6.801
  742    H    LYS  96           H        LYS  96  -7.934   1.418  -6.784
  743    HA   LYS  96           HA       LYS  96  -8.177  -0.152  -4.322
  744    HB2  LYS  96           HB2      LYS  96  -5.737  -0.351  -6.065
  745    HB3  LYS  96           HB3      LYS  96  -6.586  -1.606  -5.204
  746    HG2  LYS  96           HG2      LYS  96  -7.522  -0.286  -7.795
  747    HG3  LYS  96           HG3      LYS  96  -6.621  -1.790  -7.689
  748    HD2  LYS  96           HD2      LYS  96  -8.411  -2.933  -6.580
  749    HD3  LYS  96           HD3      LYS  96  -9.328  -1.428  -6.359
  750    HE2  LYS  96           HE2      LYS  96  -9.738  -1.181  -8.686
  751    HE3  LYS  96           HE3      LYS  96  -8.490  -2.351  -9.124
  752    HZ1  LYS  96           HZ1      LYS  96  -9.852  -4.123  -8.286
  753    HZ2  LYS  96           HZ2      LYS  96 -11.016  -3.105  -7.758
  754    HZ3  LYS  96           HZ3      LYS  96 -10.724  -3.266  -9.358
  755    H    LEU  97           H        LEU  97  -6.743   0.078  -2.573
  756    HA   LEU  97           HA       LEU  97  -5.202   2.477  -2.204
  757    HB2  LEU  97           HB2      LEU  97  -5.994   0.981  -0.342
  758    HB3  LEU  97           HB3      LEU  97  -4.862  -0.259  -0.895
  759    HG   LEU  97           HG       LEU  97  -2.950   1.310  -0.419
  760   HD11  LEU  97          HD11      LEU  97  -4.071   3.498  -0.567
  761   HD12  LEU  97          HD12      LEU  97  -5.150   3.055   0.779
  762   HD13  LEU  97          HD13      LEU  97  -3.422   3.281   1.061
  763   HD21  LEU  97          HD21      LEU  97  -4.813   0.779   1.928
  764   HD22  LEU  97          HD22      LEU  97  -3.668  -0.381   1.209
  765   HD23  LEU  97          HD23      LEU  97  -3.059   1.070   2.016
  766    H    SER  98           H        SER  98  -4.553  -0.700  -3.627
  767    HA   SER  98           HA       SER  98  -1.775  -0.654  -4.003
  768    HB2  SER  98           HB2      SER  98  -3.772  -1.749  -6.004
  769    HB3  SER  98           HB3      SER  98  -2.242  -2.452  -5.476
  770    HG   SER  98           HG       SER  98  -4.198  -3.443  -4.605
  771    H    ASP  99           H        ASP  99  -4.340   1.108  -5.648
  772    HA   ASP  99           HA       ASP  99  -2.770   1.667  -8.068
  773    HB2  ASP  99           HB2      ASP  99  -5.611   1.563  -7.261
  774    HB3  ASP  99           HB3      ASP  99  -5.248   3.058  -8.047
  775    H    ILE 100           H        ILE 100  -2.852   2.917  -5.032
  776    HA   ILE 100           HA       ILE 100  -2.800   5.767  -5.876
  777    HB   ILE 100           HB       ILE 100  -3.851   4.289  -3.478
  778   HG12  ILE 100          HG12      ILE 100  -5.119   5.080  -5.564
  779   HG13  ILE 100          HG13      ILE 100  -5.834   5.370  -3.969
  780   HG21  ILE 100          HG21      ILE 100  -4.142   6.359  -2.175
  781   HG22  ILE 100          HG22      ILE 100  -2.455   5.861  -2.301
  782   HG23  ILE 100          HG23      ILE 100  -3.048   7.216  -3.286
  783   HD11  ILE 100          HD11      ILE 100  -5.327   7.691  -4.088
  784   HD12  ILE 100          HD12      ILE 100  -4.355   7.468  -5.565
  785   HD13  ILE 100          HD13      ILE 100  -6.115   7.197  -5.596
  786    H    GLU 101           H        GLU 101  -1.323   7.065  -5.171
  787    HA   GLU 101           HA       GLU 101   0.940   6.063  -3.507
  788    HB2  GLU 101           HB2      GLU 101   1.549   6.039  -5.938
  789    HB3  GLU 101           HB3      GLU 101   1.195   7.767  -6.033
  790    HG2  GLU 101           HG2      GLU 101   2.948   8.214  -4.325
  791    HG3  GLU 101           HG3      GLU 101   3.276   6.483  -4.203
  792    H    ALA 102           H        ALA 102   1.042   7.380  -1.698
  793    HA   ALA 102           HA       ALA 102  -0.662   9.767  -1.601
  794    HB1  ALA 102           HB1      ALA 102   0.205   9.990   0.693
  795    HB2  ALA 102           HB2      ALA 102  -0.467   8.399   0.409
  796    HB3  ALA 102           HB3      ALA 102   1.303   8.614   0.427
  797    H    ILE 103           H        ILE 103   0.017  11.873  -1.327
  798    HA   ILE 103           HA       ILE 103   2.852  12.494  -2.045
  799    HB   ILE 103           HB       ILE 103   0.284  14.034  -2.563
  800   HG12  ILE 103          HG12      ILE 103   2.108  12.795  -4.673
  801   HG13  ILE 103          HG13      ILE 103   0.710  11.944  -4.043
  802   HG21  ILE 103          HG21      ILE 103   3.143  14.648  -3.440
  803   HG22  ILE 103          HG22      ILE 103   1.698  15.594  -3.864
  804   HG23  ILE 103          HG23      ILE 103   2.239  15.529  -2.191
  805   HD11  ILE 103          HD11      ILE 103   0.634  14.585  -5.545
  806   HD12  ILE 103          HD12      ILE 103   0.048  13.007  -6.078
  807   HD13  ILE 103          HD13      ILE 103  -0.768  13.828  -4.747
  808    H    ASP 104           H        ASP 104   3.988  13.543  -0.603
  809    HA   ASP 104           HA       ASP 104   4.652  14.539   1.281
  810    HB2  ASP 104           HB2      ASP 104   4.024  16.368  -0.237
  811    HB3  ASP 104           HB3      ASP 104   2.435  16.455   0.525
  812    H    VAL 105           H        VAL 105   3.044  12.390   2.006
  813    HA   VAL 105           HA       VAL 105   1.149  13.391   4.035
  814    HB   VAL 105           HB       VAL 105   0.620  11.650   2.249
  815   HG11  VAL 105          HG11      VAL 105   2.508  10.123   2.468
  816   HG12  VAL 105          HG12      VAL 105   2.061   9.778   4.147
  817   HG13  VAL 105          HG13      VAL 105   0.988   9.288   2.844
  818   HG21  VAL 105          HG21      VAL 105  -1.016  10.642   3.556
  819   HG22  VAL 105          HG22      VAL 105  -0.149  10.946   5.077
  820   HG23  VAL 105          HG23      VAL 105  -0.810  12.294   4.144
  821    H    ASP 106           H        ASP 106   1.074  11.844   6.096
  822    HA   ASP 106           HA       ASP 106   3.554  12.349   7.500
  823    HB2  ASP 106           HB2      ASP 106   2.308  12.288   9.314
  824    HB3  ASP 106           HB3      ASP 106   0.887  12.157   8.285
  825    H    ASP 107           H        ASP 107   4.681  10.688   8.742
  826    HA   ASP 107           HA       ASP 107   5.741   8.754   7.049
  827    HB2  ASP 107           HB2      ASP 107   6.943   9.705   8.950
  828    HB3  ASP 107           HB3      ASP 107   5.821   8.941  10.081
  829    H    ASP 108           H        ASP 108   3.116   8.330   9.508
  830    HA   ASP 108           HA       ASP 108   3.264   5.423   9.369
  831    HB2  ASP 108           HB2      ASP 108   1.258   7.367  10.549
  832    HB3  ASP 108           HB3      ASP 108   0.883   5.661  10.386
  833    H    THR 109           H        THR 109   1.130   7.939   7.858
  834    HA   THR 109           HA       THR 109  -0.467   6.099   6.413
  835    HB   THR 109           HB       THR 109   0.309   8.955   5.658
  836    HG1  THR 109           HG1      THR 109  -0.488   8.980   7.704
  837   HG21  THR 109          HG21      THR 109  -1.957   9.045   4.681
  838   HG22  THR 109          HG22      THR 109  -0.964   7.825   3.861
  839   HG23  THR 109          HG23      THR 109  -2.213   7.352   5.046
  840    H    GLN 110           H        GLN 110   2.660   7.681   5.559
  841    HA   GLN 110           HA       GLN 110   2.800   6.587   2.943
  842    HB2  GLN 110           HB2      GLN 110   4.214   8.450   4.143
  843    HB3  GLN 110           HB3      GLN 110   5.253   7.123   4.655
  844    HG2  GLN 110           HG2      GLN 110   4.513   7.891   1.793
  845    HG3  GLN 110           HG3      GLN 110   6.037   8.256   2.588
  846   HE21  GLN 110          HE22      GLN 110   4.593   6.112   0.442
  847   HE22  GLN 110          HE21      GLN 110   5.658   4.746   0.649
  848    H    GLU 111           H        GLU 111   4.028   5.330   6.117
  849    HA   GLU 111           HA       GLU 111   5.273   3.031   5.055
  850    HB2  GLU 111           HB2      GLU 111   4.160   3.753   7.777
  851    HB3  GLU 111           HB3      GLU 111   4.790   2.137   7.492
  852    HG2  GLU 111           HG2      GLU 111   6.403   4.621   6.836
  853    HG3  GLU 111           HG3      GLU 111   6.384   3.893   8.445
  854    H    ALA 112           H        ALA 112   1.857   3.454   6.146
  855    HA   ALA 112           HA       ALA 112   1.115   0.722   5.871
  856    HB1  ALA 112           HB1      ALA 112  -1.190   1.657   5.546
  857    HB2  ALA 112           HB2      ALA 112  -0.342   2.354   6.935
  858    HB3  ALA 112           HB3      ALA 112  -0.470   3.281   5.432
  859    H    ILE 113           H        ILE 113   1.297   3.366   3.455
  860    HA   ILE 113           HA       ILE 113   0.095   1.813   1.336
  861    HB   ILE 113           HB       ILE 113   1.682   4.391   1.446
  862   HG12  ILE 113          HG12      ILE 113  -1.257   3.979   0.761
  863   HG13  ILE 113          HG13      ILE 113  -0.723   4.089   2.435
  864   HG21  ILE 113          HG21      ILE 113   0.338   3.147  -0.993
  865   HG22  ILE 113          HG22      ILE 113   0.919   4.823  -0.898
  866   HG23  ILE 113          HG23      ILE 113   2.071   3.495  -0.780
  867   HD11  ILE 113          HD11      ILE 113  -1.405   6.255   1.843
  868   HD12  ILE 113          HD12      ILE 113   0.363   6.280   1.925
  869   HD13  ILE 113          HD13      ILE 113  -0.453   6.218   0.335
  870    H    ALA 114           H        ALA 114   3.511   2.702   2.109
  871    HA   ALA 114           HA       ALA 114   4.720   1.284  -0.022
  872    HB1  ALA 114           HB1      ALA 114   5.771   1.837   2.795
  873    HB2  ALA 114           HB2      ALA 114   6.752   1.331   1.404
  874    HB3  ALA 114           HB3      ALA 114   5.938   2.906   1.385
  875    H    ASP 115           H        ASP 115   3.873   0.247   3.297
  876    HA   ASP 115           HA       ASP 115   4.898  -2.391   3.113
  877    HB2  ASP 115           HB2      ASP 115   4.388  -1.299   5.242
  878    HB3  ASP 115           HB3      ASP 115   2.663  -1.266   4.834
  879    H    TRP 116           H        TRP 116   1.603  -1.090   2.441
  880    HA   TRP 116           HA       TRP 116   0.453  -3.608   1.778
  881    HB2  TRP 116           HB2      TRP 116  -0.912  -1.625   2.197
  882    HB3  TRP 116           HB3      TRP 116  -0.206  -0.799   0.808
  883    HD1  TRP 116           HD1      TRP 116  -1.531  -0.976  -1.352
  884    HE1  TRP 116           HE1      TRP 116  -3.191  -2.604  -2.422
  885    HE3  TRP 116           HE3      TRP 116  -1.836  -4.422   2.436
  886    HZ2  TRP 116           HZ2      TRP 116  -4.348  -5.176  -1.794
  887    HZ3  TRP 116           HZ3      TRP 116  -3.216  -6.455   2.161
  888    HH2  TRP 116           HH2      TRP 116  -4.439  -6.869   0.027
  889    H    LEU 117           H        LEU 117   2.344  -1.231  -0.164
  890    HA   LEU 117           HA       LEU 117   1.817  -2.526  -2.654
  891    HB2  LEU 117           HB2      LEU 117   3.956  -0.578  -1.741
  892    HB3  LEU 117           HB3      LEU 117   3.916  -1.203  -3.384
  893    HG   LEU 117           HG       LEU 117   1.503   0.187  -2.143
  894   HD11  LEU 117          HD11      LEU 117   2.223   2.229  -3.308
  895   HD12  LEU 117          HD12      LEU 117   3.406   1.735  -2.089
  896   HD13  LEU 117          HD13      LEU 117   3.732   1.427  -3.811
  897   HD21  LEU 117          HD21      LEU 117   0.987  -1.157  -4.135
  898   HD22  LEU 117          HD22      LEU 117   0.868   0.565  -4.497
  899   HD23  LEU 117          HD23      LEU 117   2.290  -0.353  -5.037
  900    H    TYR 118           H        TYR 118   4.623  -2.935  -0.330
  901    HA   TYR 118           HA       TYR 118   5.688  -4.941  -2.162
  902    HB2  TYR 118           HB2      TYR 118   7.304  -5.530  -0.499
  903    HB3  TYR 118           HB3      TYR 118   7.318  -3.854  -0.966
  904    HD1  TYR 118           HD2      TYR 118   5.871  -6.021   1.803
  905    HD2  TYR 118           HD1      TYR 118   7.817  -2.328   0.694
  906    HE1  TYR 118           HE2      TYR 118   5.998  -5.370   4.182
  907    HE2  TYR 118           HE1      TYR 118   7.999  -1.703   3.080
  908    HH   TYR 118           HH       TYR 118   6.235  -3.524   5.545
  909    H    TRP 119           H        TRP 119   3.407  -5.088   0.601
  910    HA   TRP 119           HA       TRP 119   3.392  -7.942   0.769
  911    HB2  TRP 119           HB2      TRP 119   2.416  -6.604   2.504
  912    HB3  TRP 119           HB3      TRP 119   1.347  -5.791   1.371
  913    HD1  TRP 119           HD1      TRP 119  -0.836  -6.909   0.673
  914    HE1  TRP 119           HE1      TRP 119  -2.216  -8.868   1.552
  915    HE3  TRP 119           HE3      TRP 119   2.768  -9.183   3.499
  916    HZ2  TRP 119           HZ2      TRP 119  -1.785 -11.191   3.272
  917    HZ3  TRP 119           HZ3      TRP 119   2.293 -11.321   4.659
  918    HH2  TRP 119           HH2      TRP 119   0.022 -12.329   4.558
  919    H    LEU 120           H        LEU 120   1.635  -5.623  -1.320
  920    HA   LEU 120           HA       LEU 120   0.031  -7.425  -2.726
  921    HB2  LEU 120           HB2      LEU 120   0.189  -4.802  -2.851
  922    HB3  LEU 120           HB3      LEU 120   1.447  -5.085  -4.045
  923    HG   LEU 120           HG       LEU 120  -0.404  -6.625  -5.190
  924   HD11  LEU 120          HD11      LEU 120  -2.679  -5.791  -4.809
  925   HD12  LEU 120          HD12      LEU 120  -2.013  -6.331  -3.253
  926   HD13  LEU 120          HD13      LEU 120  -2.085  -4.610  -3.626
  927   HD21  LEU 120          HD21      LEU 120  -1.198  -4.591  -6.435
  928   HD22  LEU 120          HD22      LEU 120  -0.380  -3.576  -5.222
  929   HD23  LEU 120          HD23      LEU 120   0.562  -4.665  -6.256
  930    H    ALA 121           H        ALA 121   3.428  -6.402  -3.325
  931    HA   ALA 121           HA       ALA 121   3.848  -7.856  -5.703
  932    HB1  ALA 121           HB1      ALA 121   6.214  -7.448  -5.318
  933    HB2  ALA 121           HB2      ALA 121   5.295  -6.000  -4.866
  934    HB3  ALA 121           HB3      ALA 121   5.933  -7.089  -3.609
  935    H    ARG 122           H        ARG 122   3.966  -8.978  -2.322
  936    HA   ARG 122           HA       ARG 122   5.352 -11.447  -2.824
  937    HB2  ARG 122           HB2      ARG 122   3.247 -10.814  -0.716
  938    HB3  ARG 122           HB3      ARG 122   4.279 -12.248  -0.727
  939    HG2  ARG 122           HG2      ARG 122   6.262 -10.940  -0.400
  940    HG3  ARG 122           HG3      ARG 122   5.358  -9.448  -0.664
  941    HD2  ARG 122           HD2      ARG 122   5.647  -9.522   1.630
  942    HD3  ARG 122           HD3      ARG 122   3.963  -9.996   1.370
  943    HE   ARG 122           HE       ARG 122   5.094 -12.415   1.489
  944   HH11  ARG 122          HH11      ARG 122   5.629  -9.597   3.613
  945   HH12  ARG 122          HH12      ARG 122   6.033 -10.564   5.002
  946   HH21  ARG 122          HH21      ARG 122   5.583 -13.663   3.392
  947   HH22  ARG 122          HH22      ARG 122   5.945 -12.846   4.889
  948    H    GLY 123           H        GLY 123   2.142 -10.450  -3.790
  949    HA2  GLY 123           HA2      GLY 123   0.610 -11.659  -5.044
  950    HA3  GLY 123           HA3      GLY 123   1.455 -13.171  -4.683
  951    H    TYR 124           H        TYR 124   1.423 -12.126  -1.729
  952    HA   TYR 124           HA       TYR 124   0.382 -12.808   0.113
  953    HB2  TYR 124           HB2      TYR 124  -1.444 -11.384   0.738
  954    HB3  TYR 124           HB3      TYR 124  -0.099 -10.553   0.003
  955    HD1  TYR 124           HD2      TYR 124  -0.325  -9.870  -2.519
  956    HD2  TYR 124           HD1      TYR 124  -3.635 -10.720   0.120
  957    HE1  TYR 124           HE2      TYR 124  -1.831  -8.630  -4.021
  958    HE2  TYR 124           HE1      TYR 124  -5.122  -9.374  -1.313
  959    HH   TYR 124           HH       TYR 124  -4.024  -7.903  -4.401
  960    H    LYS 125           H        LYS 125  -2.632 -12.925   0.519
  961    HA   LYS 125           HA       LYS 125  -2.914 -15.754  -0.422
  962    HB2  LYS 125           HB2      LYS 125  -3.330 -14.641   2.383
  963    HB3  LYS 125           HB3      LYS 125  -3.788 -16.262   1.877
  964    HG2  LYS 125           HG2      LYS 125  -0.940 -15.174   1.836
  965    HG3  LYS 125           HG3      LYS 125  -1.639 -16.145   3.133
  966    HD2  LYS 125           HD2      LYS 125  -2.065 -18.000   1.523
  967    HD3  LYS 125           HD3      LYS 125  -1.257 -17.088   0.248
  968    HE2  LYS 125           HE2      LYS 125   0.035 -17.945   2.878
  969    HE3  LYS 125           HE3      LYS 125   0.158 -18.835   1.360
  970    HZ1  LYS 125           HZ1      LYS 125   1.252 -16.897   0.381
  971    HZ2  LYS 125           HZ2      LYS 125   1.197 -16.100   1.815
  972    HZ3  LYS 125           HZ3      LYS 125   2.079 -17.459   1.666
  973    H    PHE 126           H        PHE 126  -4.856 -13.109   1.204
  974    HA   PHE 126           HA       PHE 126  -7.286 -14.414   0.384
  975    HB2  PHE 126           HB2      PHE 126  -8.460 -12.456   1.143
  976    HB3  PHE 126           HB3      PHE 126  -7.323 -13.040   2.332
  977    HD1  PHE 126           HD2      PHE 126  -5.207 -11.742   2.800
  978    HD2  PHE 126           HD1      PHE 126  -8.360 -10.209   0.289
  979    HE1  PHE 126           HE2      PHE 126  -4.420  -9.445   3.215
  980    HE2  PHE 126           HE1      PHE 126  -7.552  -7.901   0.694
  981    HZ   PHE 126           HZ       PHE 126  -5.583  -7.507   2.171
  Start of MODEL    3
    1    H1   MET   1           H1       MET   1   7.914 -17.446  -3.395
    2    H2   MET   1           H2       MET   1   7.469 -18.335  -2.085
    3    H3   MET   1           H3       MET   1   6.794 -16.868  -2.358
    4    HA   MET   1           HA       MET   1   8.392 -16.693  -0.594
    5    HB2  MET   1           HB2      MET   1  10.351 -17.678  -2.720
    6    HB3  MET   1           HB3      MET   1  10.824 -16.916  -1.203
    7    HG2  MET   1           HG2      MET   1   9.302 -19.533  -1.472
    8    HG3  MET   1           HG3      MET   1  10.996 -19.331  -1.048
    9    HE1  MET   1           HE1      MET   1   9.000 -21.136   0.614
   10    HE2  MET   1           HE2      MET   1  10.716 -20.910   1.028
   11    HE3  MET   1           HE3      MET   1   9.465 -20.701   2.274
   12    H    ALA   2           H        ALA   2   9.130 -14.604  -0.234
   13    HA   ALA   2           HA       ALA   2   9.964 -12.893  -2.442
   14    HB1  ALA   2           HB1      ALA   2   8.323 -11.123  -1.877
   15    HB2  ALA   2           HB2      ALA   2   7.489 -12.577  -2.449
   16    HB3  ALA   2           HB3      ALA   2   7.534 -12.206  -0.709
   17    H    SER   3           H        SER   3  11.037 -10.996  -1.601
   18    HA   SER   3           HA       SER   3  11.725 -11.034   1.287
   19    HB2  SER   3           HB2      SER   3  13.739 -10.953  -0.996
   20    HB3  SER   3           HB3      SER   3  14.091 -11.039   0.737
   21    HG   SER   3           HG       SER   3  14.279 -13.071  -0.303
   22    H    VAL   4           H        VAL   4  10.049  -9.201  -0.325
   23    HA   VAL   4           HA       VAL   4  11.506  -6.888  -1.108
   24    HB   VAL   4           HB       VAL   4   9.294  -5.909  -1.354
   25   HG11  VAL   4          HG11      VAL   4   9.119  -8.824  -2.199
   26   HG12  VAL   4          HG12      VAL   4   8.272  -7.438  -2.903
   27   HG13  VAL   4          HG13      VAL   4  10.031  -7.561  -3.056
   28   HG21  VAL   4          HG21      VAL   4   7.246  -7.160  -0.710
   29   HG22  VAL   4          HG22      VAL   4   8.249  -8.254   0.266
   30   HG23  VAL   4          HG23      VAL   4   8.141  -6.527   0.662
   31    H    GLU   5           H        GLU   5  10.316  -7.965   1.998
   32    HA   GLU   5           HA       GLU   5   9.780  -5.435   3.144
   33    HB2  GLU   5           HB2      GLU   5   9.509  -6.621   5.195
   34    HB3  GLU   5           HB3      GLU   5   8.769  -7.547   3.904
   35    HG2  GLU   5           HG2      GLU   5  11.462  -8.119   5.225
   36    HG3  GLU   5           HG3      GLU   5   9.947  -8.945   5.568
   37    H    ARG   6           H        ARG   6  10.802  -4.553   5.095
   38    HA   ARG   6           HA       ARG   6  13.508  -3.805   4.632
   39    HB2  ARG   6           HB2      ARG   6  11.727  -3.588   7.112
   40    HB3  ARG   6           HB3      ARG   6  13.306  -2.809   6.954
   41    HG2  ARG   6           HG2      ARG   6  12.559  -1.484   5.070
   42    HG3  ARG   6           HG3      ARG   6  10.996  -2.316   5.022
   43    HD2  ARG   6           HD2      ARG   6  10.378  -1.423   7.206
   44    HD3  ARG   6           HD3      ARG   6  11.962  -0.647   7.377
   45    HE   ARG   6           HE       ARG   6  11.181   0.365   5.012
   46   HH11  ARG   6          HH11      ARG   6   9.392   0.275   8.097
   47   HH12  ARG   6          HH12      ARG   6   8.453   1.698   7.705
   48   HH21  ARG   6          HH21      ARG   6   9.906   2.192   4.543
   49   HH22  ARG   6          HH22      ARG   6   8.725   2.762   5.682
   50    H    ASP   7           H        ASP   7  12.048  -6.148   6.916
   51    HA   ASP   7           HA       ASP   7  14.453  -7.678   7.355
   52    HB2  ASP   7           HB2      ASP   7  15.024  -5.676   8.704
   53    HB3  ASP   7           HB3      ASP   7  13.434  -5.701   9.457
   54    H    GLU   8           H        GLU   8  13.855  -9.428   9.016
   55    HA   GLU   8           HA       GLU   8  11.280 -10.495   8.691
   56    HB2  GLU   8           HB2      GLU   8  11.856 -12.057  10.438
   57    HB3  GLU   8           HB3      GLU   8  13.220 -11.821   9.346
   58    HG2  GLU   8           HG2      GLU   8  14.297 -10.320  11.003
   59    HG3  GLU   8           HG3      GLU   8  12.922 -10.519  12.092
   60    H    THR   9           H        THR   9  12.310  -7.964  10.879
   61    HA   THR   9           HA       THR   9  10.383  -7.757  12.818
   62    HB   THR   9           HB       THR   9  11.581  -5.761  10.882
   63    HG1  THR   9           HG1      THR   9  13.058  -6.648  12.167
   64   HG21  THR   9          HG21      THR   9   9.951  -5.053  13.343
   65   HG22  THR   9          HG22      THR   9  11.065  -3.943  12.496
   66   HG23  THR   9          HG23      THR   9   9.658  -4.564  11.650
   67    H    ARG  10           H        ARG  10   9.887  -7.127   9.290
   68    HA   ARG  10           HA       ARG  10   7.233  -6.077   9.663
   69    HB2  ARG  10           HB2      ARG  10   8.575  -5.560   7.666
   70    HB3  ARG  10           HB3      ARG  10   8.674  -7.270   7.256
   71    HG2  ARG  10           HG2      ARG  10   7.139  -6.196   5.775
   72    HG3  ARG  10           HG3      ARG  10   6.249  -7.325   6.769
   73    HD2  ARG  10           HD2      ARG  10   6.387  -4.309   7.222
   74    HD3  ARG  10           HD3      ARG  10   5.107  -5.139   6.323
   75    HE   ARG  10           HE       ARG  10   5.161  -6.373   8.817
   76   HH11  ARG  10          HH11      ARG  10   4.383  -3.197   7.442
   77   HH12  ARG  10          HH12      ARG  10   3.386  -2.701   8.792
   78   HH21  ARG  10          HH21      ARG  10   3.821  -5.711  10.587
   79   HH22  ARG  10          HH22      ARG  10   3.083  -4.146  10.583
   80    H    GLU  11           H        GLU  11   8.471  -9.316   8.716
   81    HA   GLU  11           HA       GLU  11   5.900 -10.504   8.393
   82    HB2  GLU  11           HB2      GLU  11   8.550 -11.838   9.095
   83    HB3  GLU  11           HB3      GLU  11   7.103 -12.635   8.459
   84    HG2  GLU  11           HG2      GLU  11   7.281 -11.145   6.414
   85    HG3  GLU  11           HG3      GLU  11   8.843 -10.588   7.021
   86    H    HIS  12           H        HIS  12   8.127 -10.281  11.179
   87    HA   HIS  12           HA       HIS  12   6.667 -11.851  13.017
   88    HB2  HIS  12           HB2      HIS  12   8.972 -11.079  13.377
   89    HB3  HIS  12           HB3      HIS  12   8.435  -9.404  13.447
   90    HD1  HIS  12           HD1      HIS  12   8.193 -12.653  15.544
   91    HD2  HIS  12           HD2      HIS  12   7.550  -8.495  15.767
   92    HE1  HIS  12           HE1      HIS  12   7.769 -12.123  17.996
   93    H    ARG  13           H        ARG  13   6.543  -8.256  12.460
   94    HA   ARG  13           HA       ARG  13   4.431  -7.842  14.328
   95    HB2  ARG  13           HB2      ARG  13   5.477  -6.202  12.010
   96    HB3  ARG  13           HB3      ARG  13   4.154  -5.652  13.062
   97    HG2  ARG  13           HG2      ARG  13   5.564  -5.782  15.046
   98    HG3  ARG  13           HG3      ARG  13   6.876  -6.526  14.127
   99    HD2  ARG  13           HD2      ARG  13   7.413  -4.222  14.430
  100    HD3  ARG  13           HD3      ARG  13   7.044  -4.512  12.719
  101    HE   ARG  13           HE       ARG  13   4.809  -3.566  14.382
  102   HH11  ARG  13          HH11      ARG  13   7.481  -2.523  12.290
  103   HH12  ARG  13          HH12      ARG  13   6.784  -0.989  11.925
  104   HH21  ARG  13          HH21      ARG  13   3.887  -1.517  13.909
  105   HH22  ARG  13          HH22      ARG  13   4.703  -0.403  12.882
  106    H    ILE  14           H        ILE  14   4.316  -8.633  10.827
  107    HA   ILE  14           HA       ILE  14   1.511  -8.288  10.470
  108    HB   ILE  14           HB       ILE  14   3.591 -10.084   9.190
  109   HG12  ILE  14          HG12      ILE  14   1.912  -7.892   7.930
  110   HG13  ILE  14          HG13      ILE  14   3.402  -7.533   8.777
  111   HG21  ILE  14          HG21      ILE  14   0.658  -9.950   8.380
  112   HG22  ILE  14          HG22      ILE  14   1.949 -10.739   7.454
  113   HG23  ILE  14          HG23      ILE  14   1.522 -11.371   9.027
  114   HD11  ILE  14          HD11      ILE  14   4.639  -9.043   7.203
  115   HD12  ILE  14          HD12      ILE  14   3.135  -9.273   6.291
  116   HD13  ILE  14          HD13      ILE  14   3.856  -7.666   6.407
  117    H    GLU  15           H        GLU  15   3.366 -11.212  11.463
  118    HA   GLU  15           HA       GLU  15   1.073 -12.786  11.920
  119    HB2  GLU  15           HB2      GLU  15   3.293 -13.705  11.533
  120    HB3  GLU  15           HB3      GLU  15   3.918 -12.976  13.017
  121    HG2  GLU  15           HG2      GLU  15   2.508 -14.402  14.394
  122    HG3  GLU  15           HG3      GLU  15   1.691 -15.050  12.964
  123    H    THR  16           H        THR  16   2.961 -10.794  14.334
  124    HA   THR  16           HA       THR  16   1.377 -11.921  16.463
  125    HB   THR  16           HB       THR  16   2.706 -10.363  17.886
  126    HG1  THR  16           HG1      THR  16   4.288  -9.135  16.943
  127   HG21  THR  16          HG21      THR  16   4.356 -11.991  15.895
  128   HG22  THR  16          HG22      THR  16   4.839 -11.497  17.532
  129   HG23  THR  16          HG23      THR  16   3.509 -12.641  17.310
  130    H    GLU  17           H        GLU  17   0.618  -9.361  14.342
  131    HA   GLU  17           HA       GLU  17  -1.343  -8.286  16.314
  132    HB2  GLU  17           HB2      GLU  17   0.784  -6.924  16.268
  133    HB3  GLU  17           HB3      GLU  17   0.481  -6.586  14.566
  134    HG2  GLU  17           HG2      GLU  17  -0.264  -4.704  15.830
  135    HG3  GLU  17           HG3      GLU  17  -1.692  -5.502  15.193
  136    H    ILE  18           H        ILE  18  -0.339  -8.133  12.813
  137    HA   ILE  18           HA       ILE  18  -2.862  -6.947  12.127
  138    HB   ILE  18           HB       ILE  18  -0.822  -8.226  10.265
  139   HG12  ILE  18          HG12      ILE  18  -1.061  -5.368  11.329
  140   HG13  ILE  18          HG13      ILE  18   0.242  -6.496  11.689
  141   HG21  ILE  18          HG21      ILE  18  -1.804  -6.863   8.518
  142   HG22  ILE  18          HG22      ILE  18  -3.119  -7.737   9.273
  143   HG23  ILE  18          HG23      ILE  18  -2.864  -6.037   9.684
  144   HD11  ILE  18          HD11      ILE  18   0.936  -6.470   9.311
  145   HD12  ILE  18          HD12      ILE  18  -0.311  -5.259   8.968
  146   HD13  ILE  18          HD13      ILE  18   1.001  -4.880  10.086
  147    H    ILE  19           H        ILE  19  -1.573 -10.311  11.757
  148    HA   ILE  19           HA       ILE  19  -4.346 -11.209  11.118
  149    HB   ILE  19           HB       ILE  19  -3.307 -12.764   9.563
  150   HG12  ILE  19          HG12      ILE  19  -0.740 -11.180   9.800
  151   HG13  ILE  19          HG13      ILE  19  -1.012 -12.588  10.834
  152   HG21  ILE  19          HG21      ILE  19  -4.199 -10.503   8.833
  153   HG22  ILE  19          HG22      ILE  19  -2.539  -9.892   8.874
  154   HG23  ILE  19          HG23      ILE  19  -2.972 -11.196   7.766
  155   HD11  ILE  19          HD11      ILE  19   0.187 -13.296   8.914
  156   HD12  ILE  19          HD12      ILE  19  -1.464 -13.958   8.853
  157   HD13  ILE  19          HD13      ILE  19  -1.028 -12.568   7.818
  158    H    VAL  20           H        VAL  20  -2.782 -11.281  13.767
  159    HA   VAL  20           HA       VAL  20  -1.783 -13.713  14.380
  160    HB   VAL  20           HB       VAL  20  -1.827 -11.659  15.772
  161   HG11  VAL  20          HG11      VAL  20  -3.622 -11.246  17.369
  162   HG12  VAL  20          HG12      VAL  20  -4.259 -11.166  15.721
  163   HG13  VAL  20          HG13      VAL  20  -4.563 -12.605  16.722
  164   HG21  VAL  20          HG21      VAL  20  -2.628 -14.173  17.288
  165   HG22  VAL  20          HG22      VAL  20  -0.999 -13.799  16.681
  166   HG23  VAL  20          HG23      VAL  20  -1.729 -12.781  17.934
  167    H    ASP  21           H        ASP  21  -5.292 -13.085  14.244
  168    HA   ASP  21           HA       ASP  21  -5.797 -15.918  15.007
  169    HB2  ASP  21           HB2      ASP  21  -6.743 -14.150  16.456
  170    HB3  ASP  21           HB3      ASP  21  -7.636 -13.504  15.077
  171    H    ALA  22           H        ALA  22  -5.168 -14.392  12.315
  172    HA   ALA  22           HA       ALA  22  -7.601 -15.007  10.764
  173    HB1  ALA  22           HB1      ALA  22  -5.439 -12.979  10.216
  174    HB2  ALA  22           HB2      ALA  22  -6.872 -13.295   9.240
  175    HB3  ALA  22           HB3      ALA  22  -7.056 -12.635  10.878
  176    H    GLU  23           H        GLU  23  -7.503 -16.434   9.318
  177    HA   GLU  23           HA       GLU  23  -5.102 -17.055   7.735
  178    HB2  GLU  23           HB2      GLU  23  -6.658 -19.441   8.643
  179    HB3  GLU  23           HB3      GLU  23  -5.068 -19.347   7.922
  180    HG2  GLU  23           HG2      GLU  23  -4.559 -20.030  10.048
  181    HG3  GLU  23           HG3      GLU  23  -4.328 -18.292  10.212
  182    H    ASP  24           H        ASP  24  -8.630 -17.061   8.249
  183    HA   ASP  24           HA       ASP  24  -9.262 -18.330   5.722
  184    HB2  ASP  24           HB2      ASP  24 -10.936 -16.829   7.783
  185    HB3  ASP  24           HB3      ASP  24 -11.543 -17.800   6.456
  186    H    LYS  25           H        LYS  25  -9.942 -17.025   3.902
  187    HA   LYS  25           HA       LYS  25  -8.307 -14.815   3.436
  188    HB2  LYS  25           HB2      LYS  25 -11.017 -15.242   2.080
  189    HB3  LYS  25           HB3      LYS  25  -9.648 -14.344   1.432
  190    HG2  LYS  25           HG2      LYS  25  -9.765 -17.323   1.955
  191    HG3  LYS  25           HG3      LYS  25  -9.934 -16.526   0.387
  192    HD2  LYS  25           HD2      LYS  25  -7.640 -15.697   0.465
  193    HD3  LYS  25           HD3      LYS  25  -7.439 -16.269   2.131
  194    HE2  LYS  25           HE2      LYS  25  -7.717 -18.602   1.377
  195    HE3  LYS  25           HE3      LYS  25  -7.786 -18.041  -0.306
  196    HZ1  LYS  25           HZ1      LYS  25  -5.524 -17.468   1.530
  197    HZ2  LYS  25           HZ2      LYS  25  -5.523 -18.723   0.443
  198    HZ3  LYS  25           HZ3      LYS  25  -5.559 -17.145  -0.039
  199    H    GLU  26           H        GLU  26 -11.615 -14.821   4.615
  200    HA   GLU  26           HA       GLU  26 -12.011 -12.053   4.078
  201    HB2  GLU  26           HB2      GLU  26 -13.526 -13.977   5.908
  202    HB3  GLU  26           HB3      GLU  26 -14.086 -12.359   5.460
  203    HG2  GLU  26           HG2      GLU  26 -14.089 -13.019   3.061
  204    HG3  GLU  26           HG3      GLU  26 -13.545 -14.640   3.488
  205    H    GLU  27           H        GLU  27 -10.789 -13.971   6.856
  206    HA   GLU  27           HA       GLU  27 -10.861 -11.832   8.798
  207    HB2  GLU  27           HB2      GLU  27  -9.072 -14.280   8.665
  208    HB3  GLU  27           HB3      GLU  27  -9.374 -13.273  10.080
  209    HG2  GLU  27           HG2      GLU  27 -11.664 -14.033  10.220
  210    HG3  GLU  27           HG3      GLU  27 -11.505 -14.945   8.710
  211    H    ARG  28           H        ARG  28  -8.289 -13.342   6.693
  212    HA   ARG  28           HA       ARG  28  -6.259 -11.555   7.652
  213    HB2  ARG  28           HB2      ARG  28  -6.481 -13.235   5.130
  214    HB3  ARG  28           HB3      ARG  28  -5.101 -12.153   5.421
  215    HG2  ARG  28           HG2      ARG  28  -4.786 -13.265   7.659
  216    HG3  ARG  28           HG3      ARG  28  -5.993 -14.469   7.177
  217    HD2  ARG  28           HD2      ARG  28  -4.566 -15.269   5.394
  218    HD3  ARG  28           HD3      ARG  28  -3.432 -13.914   5.618
  219    HE   ARG  28           HE       ARG  28  -3.671 -15.218   8.099
  220   HH11  ARG  28          HH21      ARG  28  -2.383 -16.086   4.856
  221   HH12  ARG  28          HH22      ARG  28  -1.248 -17.211   5.516
  222   HH21  ARG  28          HH11      ARG  28  -2.223 -16.708   8.901
  223   HH22  ARG  28          HH12      ARG  28  -1.157 -17.584   7.863
  224    H    ALA  29           H        ALA  29  -8.479 -11.230   4.833
  225    HA   ALA  29           HA       ALA  29  -7.469  -8.789   3.900
  226    HB1  ALA  29           HB1      ALA  29  -9.703  -8.478   2.943
  227    HB2  ALA  29           HB2      ALA  29  -9.182 -10.164   2.742
  228    HB3  ALA  29           HB3      ALA  29 -10.364  -9.754   3.999
  229    H    MET  30           H        MET  30  -9.934  -9.393   6.492
  230    HA   MET  30           HA       MET  30 -10.285  -6.592   6.999
  231    HB2  MET  30           HB2      MET  30 -11.025  -9.099   8.544
  232    HB3  MET  30           HB3      MET  30 -11.391  -7.472   9.128
  233    HG2  MET  30           HG2      MET  30 -12.328  -8.617   6.462
  234    HG3  MET  30           HG3      MET  30 -13.294  -8.440   7.924
  235    HE1  MET  30           HE1      MET  30 -12.951  -6.851   4.497
  236    HE2  MET  30           HE2      MET  30 -12.364  -5.210   4.803
  237    HE3  MET  30           HE3      MET  30 -11.298  -6.599   5.087
  238    H    GLY  31           H        GLY  31  -8.120  -9.017   8.521
  239    HA2  GLY  31           HA2      GLY  31  -7.180  -7.432  10.655
  240    HA3  GLY  31           HA3      GLY  31  -6.269  -8.696   9.796
  241    H    TRP  32           H        TRP  32  -5.960  -7.749   7.264
  242    HA   TRP  32           HA       TRP  32  -3.994  -5.723   7.470
  243    HB2  TRP  32           HB2      TRP  32  -5.477  -7.002   5.166
  244    HB3  TRP  32           HB3      TRP  32  -4.468  -5.588   4.893
  245    HD1  TRP  32           HD1      TRP  32  -4.183  -9.278   5.384
  246    HE1  TRP  32           HE1      TRP  32  -1.729 -10.003   5.367
  247    HE3  TRP  32           HE3      TRP  32  -2.016  -4.669   5.657
  248    HZ2  TRP  32           HZ2      TRP  32   0.872  -8.715   5.595
  249    HZ3  TRP  32           HZ3      TRP  32   0.449  -4.433   5.753
  250    HH2  TRP  32           HH2      TRP  32   1.900  -6.444   5.714
  251    H    TYR  33           H        TYR  33  -7.440  -5.556   6.370
  252    HA   TYR  33           HA       TYR  33  -7.501  -2.912   5.534
  253    HB2  TYR  33           HB2      TYR  33  -9.313  -4.537   5.186
  254    HB3  TYR  33           HB3      TYR  33  -9.666  -4.545   6.903
  255    HD1  TYR  33           HD2      TYR  33 -10.594  -2.470   8.030
  256    HD2  TYR  33           HD1      TYR  33 -10.352  -2.927   3.758
  257    HE1  TYR  33           HE2      TYR  33 -12.251  -0.680   7.770
  258    HE2  TYR  33           HE1      TYR  33 -12.163  -1.247   3.486
  259    HH   TYR  33           HH       TYR  33 -13.570   0.211   4.510
  260    H    TYR  34           H        TYR  34  -8.219  -4.107   8.903
  261    HA   TYR  34           HA       TYR  34  -8.818  -1.391   9.705
  262    HB2  TYR  34           HB2      TYR  34  -8.569  -3.973  11.275
  263    HB3  TYR  34           HB3      TYR  34  -8.979  -2.423  12.001
  264    HD1  TYR  34           HD2      TYR  34 -10.960  -1.067  10.777
  265    HD2  TYR  34           HD1      TYR  34 -10.393  -5.341  10.580
  266    HE1  TYR  34           HE2      TYR  34 -13.342  -1.347  10.211
  267    HE2  TYR  34           HE1      TYR  34 -12.781  -5.629   9.986
  268    HH   TYR  34           HH       TYR  34 -15.045  -2.851   9.696
  269    H    TYR  35           H        TYR  35  -5.871  -3.418   9.899
  270    HA   TYR  35           HA       TYR  35  -4.435  -1.541  11.599
  271    HB2  TYR  35           HB2      TYR  35  -3.555  -3.773  11.343
  272    HB3  TYR  35           HB3      TYR  35  -3.683  -3.709   9.594
  273    HD1  TYR  35           HD1      TYR  35  -1.727  -2.324  12.482
  274    HD2  TYR  35           HD2      TYR  35  -1.902  -3.001   8.226
  275    HE1  TYR  35           HE1      TYR  35   0.670  -1.740  12.294
  276    HE2  TYR  35           HE2      TYR  35   0.494  -2.410   8.023
  277    HH   TYR  35           HH       TYR  35   2.490  -1.464  10.857
  278    H    LEU  36           H        LEU  36  -4.941  -1.837   8.026
  279    HA   LEU  36           HA       LEU  36  -3.216   0.310   7.336
  280    HB2  LEU  36           HB2      LEU  36  -5.285  -1.339   5.973
  281    HB3  LEU  36           HB3      LEU  36  -5.212   0.316   5.407
  282    HG   LEU  36           HG       LEU  36  -2.880   0.173   4.859
  283   HD11  LEU  36          HD11      LEU  36  -1.658  -2.031   4.942
  284   HD12  LEU  36          HD12      LEU  36  -1.923  -1.295   6.522
  285   HD13  LEU  36          HD13      LEU  36  -2.955  -2.643   5.998
  286   HD21  LEU  36          HD21      LEU  36  -4.324  -2.347   3.882
  287   HD22  LEU  36          HD22      LEU  36  -4.697  -0.716   3.308
  288   HD23  LEU  36          HD23      LEU  36  -3.097  -1.412   3.002
  289    H    ASP  37           H        ASP  37  -6.871   0.271   7.821
  290    HA   ASP  37           HA       ASP  37  -7.037   3.114   7.518
  291    HB2  ASP  37           HB2      ASP  37  -9.161   1.838   7.765
  292    HB3  ASP  37           HB3      ASP  37  -8.721   1.394   9.413
  293    H    ASP  38           H        ASP  38  -6.306   1.082  10.491
  294    HA   ASP  38           HA       ASP  38  -6.653   3.428  11.834
  295    HB2  ASP  38           HB2      ASP  38  -6.783   1.275  12.991
  296    HB3  ASP  38           HB3      ASP  38  -5.015   1.311  13.144
  297    H    THR  39           H        THR  39  -3.898   2.378  10.126
  298    HA   THR  39           HA       THR  39  -1.971   4.149  11.471
  299    HB   THR  39           HB       THR  39  -1.849   2.562   8.866
  300    HG1  THR  39           HG1      THR  39  -2.117   1.128  10.475
  301   HG21  THR  39          HG21      THR  39  -0.197   4.307   8.977
  302   HG22  THR  39          HG22      THR  39   0.320   3.820  10.606
  303   HG23  THR  39          HG23      THR  39   0.613   2.747   9.209
  304    H    LEU  40           H        LEU  40  -3.926   4.099   8.455
  305    HA   LEU  40           HA       LEU  40  -3.014   6.572   7.362
  306    HB2  LEU  40           HB2      LEU  40  -5.621   5.045   7.045
  307    HB3  LEU  40           HB3      LEU  40  -5.098   6.348   5.986
  308    HG   LEU  40           HG       LEU  40  -3.423   3.825   6.328
  309   HD11  LEU  40          HD11      LEU  40  -4.461   2.802   4.424
  310   HD12  LEU  40          HD12      LEU  40  -5.754   3.192   5.558
  311   HD13  LEU  40          HD13      LEU  40  -5.481   4.218   4.133
  312   HD21  LEU  40          HD21      LEU  40  -3.592   5.834   4.064
  313   HD22  LEU  40          HD22      LEU  40  -2.256   5.607   5.218
  314   HD23  LEU  40          HD23      LEU  40  -2.644   4.336   4.068
  315    H    GLU  41           H        GLU  41  -3.742   8.650   7.704
  316    HA   GLU  41           HA       GLU  41  -6.008   9.095   9.597
  317    HB2  GLU  41           HB2      GLU  41  -3.382  10.579   9.296
  318    HB3  GLU  41           HB3      GLU  41  -4.771  11.219  10.183
  319    HG2  GLU  41           HG2      GLU  41  -3.431   8.553  10.810
  320    HG3  GLU  41           HG3      GLU  41  -3.054  10.068  11.614
  321    H    PHE  42           H        PHE  42  -7.126   8.705   7.589
  322    HA   PHE  42           HA       PHE  42  -7.277  10.415   5.384
  323    HB2  PHE  42           HB2      PHE  42  -9.439   8.872   6.885
  324    HB3  PHE  42           HB3      PHE  42  -9.640   9.572   5.292
  325    HD1  PHE  42           HD1      PHE  42  -8.401   8.785   3.372
  326    HD2  PHE  42           HD2      PHE  42  -8.306   6.653   7.111
  327    HE1  PHE  42           HE1      PHE  42  -7.891   6.663   2.149
  328    HE2  PHE  42           HE2      PHE  42  -7.813   4.561   5.898
  329    HZ   PHE  42           HZ       PHE  42  -7.640   4.552   3.417
  330    HA   PRO  43           HA       PRO  43  -9.199  11.229   4.032
  331    HB2  PRO  43           HB2      PRO  43  -9.735  13.645   2.915
  332    HB3  PRO  43           HB3      PRO  43 -10.989  12.681   3.751
  333    HG2  PRO  43           HG2      PRO  43  -9.373  14.988   4.871
  334    HG3  PRO  43           HG3      PRO  43 -11.146  14.736   4.947
  335    HD2  PRO  43           HD2      PRO  43  -9.481  14.041   7.004
  336    HD3  PRO  43           HD3      PRO  43 -10.932  13.076   6.607
  337    H    PHE  44           H        PHE  44  -7.648  11.629   2.223
  338    HA   PHE  44           HA       PHE  44  -5.630  13.718   2.781
  339    HB2  PHE  44           HB2      PHE  44  -3.706  12.353   2.605
  340    HB3  PHE  44           HB3      PHE  44  -4.671  11.795   3.953
  341    HD1  PHE  44           HD1      PHE  44  -3.438  11.019   0.576
  342    HD2  PHE  44           HD2      PHE  44  -5.554   9.482   3.988
  343    HE1  PHE  44           HE1      PHE  44  -3.224   8.755  -0.352
  344    HE2  PHE  44           HE2      PHE  44  -5.302   7.186   3.092
  345    HZ   PHE  44           HZ       PHE  44  -4.157   6.802   0.916
  346    H    MET  45           H        MET  45  -4.198  14.181   0.901
  347    HA   MET  45           HA       MET  45  -5.763  13.853  -1.590
  348    HB2  MET  45           HB2      MET  45  -4.866  16.090  -0.934
  349    HB3  MET  45           HB3      MET  45  -3.222  15.429  -0.922
  350    HG2  MET  45           HG2      MET  45  -3.460  14.894  -3.351
  351    HG3  MET  45           HG3      MET  45  -5.061  15.633  -3.333
  352    HE1  MET  45           HE1      MET  45  -4.332  17.170  -5.399
  353    HE2  MET  45           HE2      MET  45  -2.750  17.980  -5.465
  354    HE3  MET  45           HE3      MET  45  -2.848  16.204  -5.348
  355    H    GLY  46           H        GLY  46  -4.939  12.660  -3.426
  356    HA2  GLY  46           HA2      GLY  46  -2.198  11.660  -3.299
  357    HA3  GLY  46           HA3      GLY  46  -3.445  10.409  -3.203
  358    H    LYS  47           H        LYS  47  -1.712  10.315  -5.213
  359    HA   LYS  47           HA       LYS  47  -3.228  11.267  -7.599
  360    HB2  LYS  47           HB2      LYS  47  -0.599  11.556  -7.453
  361    HB3  LYS  47           HB3      LYS  47  -0.538   9.816  -7.638
  362    HG2  LYS  47           HG2      LYS  47  -0.315  10.615  -9.843
  363    HG3  LYS  47           HG3      LYS  47  -2.008  10.149  -9.754
  364    HD2  LYS  47           HD2      LYS  47  -2.098  12.264 -10.809
  365    HD3  LYS  47           HD3      LYS  47  -2.480  12.630  -9.140
  366    HE2  LYS  47           HE2      LYS  47  -0.977  14.304  -9.672
  367    HE3  LYS  47           HE3      LYS  47   0.038  13.133  -8.822
  368    HZ1  LYS  47           HZ1      LYS  47   0.686  12.298 -11.113
  369    HZ2  LYS  47           HZ2      LYS  47  -0.122  13.573 -11.744
  370    HZ3  LYS  47           HZ3      LYS  47   1.163  13.833 -10.783
  371    H    TRP  48           H        TRP  48  -4.514   9.779  -8.543
  372    HA   TRP  48           HA       TRP  48  -4.439   6.942  -7.671
  373    HB2  TRP  48           HB2      TRP  48  -6.628   8.144  -7.894
  374    HB3  TRP  48           HB3      TRP  48  -6.282   8.440  -9.584
  375    HD1  TRP  48           HD1      TRP  48  -5.194   4.997  -9.005
  376    HE1  TRP  48           HE1      TRP  48  -6.942   3.312  -9.701
  377    HE3  TRP  48           HE3      TRP  48  -9.242   8.119  -9.195
  378    HZ2  TRP  48           HZ2      TRP  48  -9.784   3.316 -10.387
  379    HZ3  TRP  48           HZ3      TRP  48 -11.487   7.223  -9.760
  380    HH2  TRP  48           HH2      TRP  48 -11.761   4.829 -10.378
  381    H    LYS  49           H        LYS  49  -2.747   5.917  -8.669
  382    HA   LYS  49           HA       LYS  49  -1.817   6.726 -11.361
  383    HB2  LYS  49           HB2      LYS  49  -0.556   5.167  -9.051
  384    HB3  LYS  49           HB3      LYS  49   0.182   5.343 -10.645
  385    HG2  LYS  49           HG2      LYS  49   0.322   7.774 -10.380
  386    HG3  LYS  49           HG3      LYS  49  -0.550   7.694  -8.847
  387    HD2  LYS  49           HD2      LYS  49   1.817   7.990  -8.450
  388    HD3  LYS  49           HD3      LYS  49   1.277   6.419  -7.827
  389    HE2  LYS  49           HE2      LYS  49   2.218   5.280  -9.782
  390    HE3  LYS  49           HE3      LYS  49   2.669   6.833 -10.507
  391    HZ1  LYS  49           HZ1      LYS  49   3.790   5.732  -7.990
  392    HZ2  LYS  49           HZ2      LYS  49   4.552   5.781  -9.428
  393    HZ3  LYS  49           HZ3      LYS  49   4.205   7.170  -8.655
  394    H    LYS  50           H        LYS  50  -4.009   5.709 -11.821
  395    HA   LYS  50           HA       LYS  50  -4.631   3.007 -11.307
  396    HB2  LYS  50           HB2      LYS  50  -6.236   4.709 -12.098
  397    HB3  LYS  50           HB3      LYS  50  -5.482   4.692 -13.695
  398    HG2  LYS  50           HG2      LYS  50  -6.182   2.419 -14.101
  399    HG3  LYS  50           HG3      LYS  50  -6.595   2.163 -12.404
  400    HD2  LYS  50           HD2      LYS  50  -8.613   2.418 -13.815
  401    HD3  LYS  50           HD3      LYS  50  -8.495   3.619 -12.539
  402    HE2  LYS  50           HE2      LYS  50  -9.275   4.750 -14.484
  403    HE3  LYS  50           HE3      LYS  50  -7.625   5.286 -14.172
  404    HZ1  LYS  50           HZ1      LYS  50  -8.556   3.475 -16.309
  405    HZ2  LYS  50           HZ2      LYS  50  -7.715   4.884 -16.455
  406    HZ3  LYS  50           HZ3      LYS  50  -6.967   3.561 -15.897
  407    H    LYS  51           H        LYS  51  -3.386   1.228 -11.811
  408    HA   LYS  51           HA       LYS  51  -1.676   1.279 -14.191
  409    HB2  LYS  51           HB2      LYS  51  -0.708  -0.690 -13.416
  410    HB3  LYS  51           HB3      LYS  51  -0.959   0.310 -11.988
  411    HG2  LYS  51           HG2      LYS  51  -2.995  -1.057 -11.438
  412    HG3  LYS  51           HG3      LYS  51  -2.690  -2.038 -12.872
  413    HD2  LYS  51           HD2      LYS  51  -1.790  -3.294 -11.068
  414    HD3  LYS  51           HD3      LYS  51  -0.424  -2.616 -11.939
  415    HE2  LYS  51           HE2      LYS  51   0.173  -2.278  -9.712
  416    HE3  LYS  51           HE3      LYS  51  -0.455  -0.699 -10.182
  417    HZ1  LYS  51           HZ1      LYS  51  -1.352  -1.347  -8.051
  418    HZ2  LYS  51           HZ2      LYS  51  -2.583  -1.343  -9.091
  419    HZ3  LYS  51           HZ3      LYS  51  -1.913  -2.773  -8.639
  420    H    SER  52           H        SER  52  -4.953   0.422 -13.571
  421    HA   SER  52           HA       SER  52  -5.209  -1.828 -15.182
  422    HB2  SER  52           HB2      SER  52  -7.379   0.243 -14.894
  423    HB3  SER  52           HB3      SER  52  -7.507  -1.523 -14.894
  424    HG   SER  52           HG       SER  52  -7.764  -0.563 -12.825
  425    H    ARG  53           H        ARG  53  -4.409   1.298 -16.377
  426    HA   ARG  53           HA       ARG  53  -6.145   1.361 -18.695
  427    HB2  ARG  53           HB2      ARG  53  -5.276   3.388 -17.710
  428    HB3  ARG  53           HB3      ARG  53  -3.613   2.885 -17.926
  429    HG2  ARG  53           HG2      ARG  53  -5.414   3.221 -20.350
  430    HG3  ARG  53           HG3      ARG  53  -4.736   4.635 -19.537
  431    HD2  ARG  53           HD2      ARG  53  -2.448   3.735 -19.792
  432    HD3  ARG  53           HD3      ARG  53  -3.109   2.338 -20.657
  433    HE   ARG  53           HE       ARG  53  -3.941   4.766 -21.910
  434   HH11  ARG  53          HH11      ARG  53  -1.121   2.613 -21.530
  435   HH12  ARG  53          HH12      ARG  53  -0.364   3.134 -22.998
  436   HH21  ARG  53          HH21      ARG  53  -2.942   5.410 -23.886
  437   HH22  ARG  53          HH22      ARG  53  -1.438   4.734 -24.376
  438    H    LYS  54           H        LYS  54  -5.739   0.682 -20.760
  439    HA   LYS  54           HA       LYS  54  -5.117  -0.841 -22.281
  440    HB2  LYS  54           HB2      LYS  54  -3.448   1.074 -22.551
  441    HB3  LYS  54           HB3      LYS  54  -2.253   0.026 -21.781
  442    HG2  LYS  54           HG2      LYS  54  -2.679  -1.669 -23.623
  443    HG3  LYS  54           HG3      LYS  54  -3.825  -0.531 -24.345
  444    HD2  LYS  54           HD2      LYS  54  -2.008   1.129 -24.628
  445    HD3  LYS  54           HD3      LYS  54  -0.857   0.004 -23.867
  446    HE2  LYS  54           HE2      LYS  54  -1.301  -1.658 -25.665
  447    HE3  LYS  54           HE3      LYS  54  -2.444  -0.541 -26.421
  448    HZ1  LYS  54           HZ1      LYS  54  -0.279  -0.444 -27.476
  449    HZ2  LYS  54           HZ2      LYS  54  -0.600   0.995 -26.788
  450    HZ3  LYS  54           HZ3      LYS  54   0.459  -0.036 -26.084
  451    H    THR  55           H        THR  55  -2.107  -2.081 -21.727
  452    HA   THR  55           HA       THR  55  -3.119  -4.600 -20.816
  453    HB   THR  55           HB       THR  55  -0.525  -4.981 -20.736
  454    HG1  THR  55           HG1      THR  55   0.662  -3.390 -21.756
  455   HG21  THR  55          HG21      THR  55  -1.848  -4.090 -23.348
  456   HG22  THR  55          HG22      THR  55  -0.399  -5.110 -23.198
  457   HG23  THR  55          HG23      THR  55  -1.963  -5.707 -22.623
  458    H    SER  56           H        SER  56  -0.725  -2.346 -19.379
  459    HA   SER  56           HA       SER  56  -1.847  -2.598 -16.690
  460    HB2  SER  56           HB2      SER  56   0.394  -3.555 -15.852
  461    HB3  SER  56           HB3      SER  56  -0.691  -4.657 -16.694
  462    HG   SER  56           HG       SER  56   1.468  -4.854 -17.415
  463    H    THR  57           H        THR  57  -0.975  -0.475 -18.803
  464    HA   THR  57           HA       THR  57   1.404   0.786 -17.697
  465    HB   THR  57           HB       THR  57   0.650   2.639 -19.329
  466    HG1  THR  57           HG1      THR  57  -1.551   1.333 -19.346
  467   HG21  THR  57          HG21      THR  57   1.383   1.380 -21.306
  468   HG22  THR  57          HG22      THR  57   2.386   0.962 -19.907
  469   HG23  THR  57          HG23      THR  57   1.121  -0.159 -20.458
  470    H    ILE  58           H        ILE  58   1.504   2.698 -16.470
  471    HA   ILE  58           HA       ILE  58  -0.718   3.247 -14.698
  472    HB   ILE  58           HB       ILE  58   1.866   4.770 -15.170
  473   HG12  ILE  58          HG12      ILE  58   2.327   2.459 -14.433
  474   HG13  ILE  58          HG13      ILE  58   2.804   3.655 -13.245
  475   HG21  ILE  58          HG21      ILE  58  -0.181   4.981 -12.931
  476   HG22  ILE  58          HG22      ILE  58   1.465   5.641 -12.813
  477   HG23  ILE  58          HG23      ILE  58   0.356   6.253 -14.039
  478   HD11  ILE  58          HD11      ILE  58   0.258   1.994 -13.097
  479   HD12  ILE  58          HD12      ILE  58   1.762   1.656 -12.226
  480   HD13  ILE  58          HD13      ILE  58   0.844   3.123 -11.854
  481    H    GLU  59           H        GLU  59  -2.153   4.897 -14.754
  482    HA   GLU  59           HA       GLU  59  -1.930   7.105 -16.703
  483    HB2  GLU  59           HB2      GLU  59  -3.588   5.533 -17.611
  484    HB3  GLU  59           HB3      GLU  59  -4.400   5.421 -16.041
  485    HG2  GLU  59           HG2      GLU  59  -5.057   7.785 -16.176
  486    HG3  GLU  59           HG3      GLU  59  -4.130   7.985 -17.666
  487    H    GLU  60           H        GLU  60  -2.684   9.091 -15.611
  488    HA   GLU  60           HA       GLU  60  -2.753   8.743 -12.641
  489    HB2  GLU  60           HB2      GLU  60  -1.291  10.784 -14.346
  490    HB3  GLU  60           HB3      GLU  60  -1.487  10.882 -12.592
  491    HG2  GLU  60           HG2      GLU  60  -0.335   8.688 -12.347
  492    HG3  GLU  60           HG3      GLU  60  -0.075   8.642 -14.093
  493    H    LYS  61           H        LYS  61  -4.325   9.720 -11.529
  494    HA   LYS  61           HA       LYS  61  -5.570  12.200 -12.655
  495    HB2  LYS  61           HB2      LYS  61  -7.018   9.852 -11.336
  496    HB3  LYS  61           HB3      LYS  61  -7.727  11.450 -11.597
  497    HG2  LYS  61           HG2      LYS  61  -7.358  11.195 -14.057
  498    HG3  LYS  61           HG3      LYS  61  -6.781   9.544 -13.787
  499    HD2  LYS  61           HD2      LYS  61  -9.551  10.581 -13.037
  500    HD3  LYS  61           HD3      LYS  61  -9.162   9.677 -14.510
  501    HE2  LYS  61           HE2      LYS  61  -8.377   7.759 -13.113
  502    HE3  LYS  61           HE3      LYS  61  -8.835   8.646 -11.654
  503    HZ1  LYS  61           HZ1      LYS  61 -10.711   7.794 -13.788
  504    HZ2  LYS  61           HZ2      LYS  61 -10.568   7.110 -12.311
  505    HZ3  LYS  61           HZ3      LYS  61 -11.135   8.634 -12.453
  506    H    THR  62           H        THR  62  -6.161  13.675 -10.902
  507    HA   THR  62           HA       THR  62  -4.593  13.114  -8.421
  508    HB   THR  62           HB       THR  62  -5.445  15.801  -9.565
  509    HG1  THR  62           HG1      THR  62  -4.020  14.902 -11.010
  510   HG21  THR  62          HG21      THR  62  -4.879  15.791  -7.160
  511   HG22  THR  62          HG22      THR  62  -3.328  14.996  -7.513
  512   HG23  THR  62          HG23      THR  62  -3.646  16.647  -8.100
  513    H    VAL  63           H        VAL  63  -5.735  12.842  -6.543
  514    HA   VAL  63           HA       VAL  63  -8.618  13.553  -6.571
  515    HB   VAL  63           HB       VAL  63  -9.180  11.315  -5.799
  516   HG11  VAL  63          HG11      VAL  63  -7.680  11.084  -8.441
  517   HG12  VAL  63          HG12      VAL  63  -9.043  10.103  -7.871
  518   HG13  VAL  63          HG13      VAL  63  -9.287  11.808  -8.247
  519   HG21  VAL  63          HG21      VAL  63  -6.327  10.459  -6.468
  520   HG22  VAL  63          HG22      VAL  63  -6.973  10.628  -4.826
  521   HG23  VAL  63          HG23      VAL  63  -7.660   9.423  -5.921
  522    H    GLU  64           H        GLU  64  -9.604  13.555  -4.571
  523    HA   GLU  64           HA       GLU  64  -7.832  13.750  -2.168
  524    HB2  GLU  64           HB2      GLU  64  -9.148  15.817  -2.686
  525    HB3  GLU  64           HB3      GLU  64 -10.638  14.871  -2.634
  526    HG2  GLU  64           HG2      GLU  64 -10.225  14.303  -0.264
  527    HG3  GLU  64           HG3      GLU  64  -8.658  15.110  -0.320
  528    H    VAL  65           H        VAL  65  -8.056  12.011  -0.790
  529    HA   VAL  65           HA       VAL  65 -10.152  10.043  -1.472
  530    HB   VAL  65           HB       VAL  65  -8.842   8.371  -0.848
  531   HG11  VAL  65          HG11      VAL  65  -7.878   9.544  -2.863
  532   HG12  VAL  65          HG12      VAL  65  -6.668  10.280  -1.790
  533   HG13  VAL  65          HG13      VAL  65  -6.722   8.520  -1.993
  534   HG21  VAL  65          HG21      VAL  65  -6.821   8.305   0.429
  535   HG22  VAL  65          HG22      VAL  65  -7.027  10.019   0.843
  536   HG23  VAL  65          HG23      VAL  65  -8.259   8.820   1.306
  537    H    LEU  66           H        LEU  66 -11.748   9.577  -0.121
  538    HA   LEU  66           HA       LEU  66 -12.002  11.340   2.204
  539    HB2  LEU  66           HB2      LEU  66 -13.961   9.366   0.946
  540    HB3  LEU  66           HB3      LEU  66 -14.327  10.486   2.237
  541    HG   LEU  66           HG       LEU  66 -15.254  11.422   0.334
  542   HD11  LEU  66          HD11      LEU  66 -14.020  13.051   1.754
  543   HD12  LEU  66          HD12      LEU  66 -12.627  12.932   0.652
  544   HD13  LEU  66          HD13      LEU  66 -14.174  13.571   0.068
  545   HD21  LEU  66          HD21      LEU  66 -13.985  10.111  -1.374
  546   HD22  LEU  66          HD22      LEU  66 -14.243  11.812  -1.785
  547   HD23  LEU  66          HD23      LEU  66 -12.654  11.286  -1.230
  548    H    GLY  67           H        GLY  67 -11.243   7.937   1.688
  549    HA2  GLY  67           HA2      GLY  67 -10.711   7.130   4.268
  550    HA3  GLY  67           HA3      GLY  67 -12.462   6.984   4.109
  551    H    MET  68           H        MET  68 -11.215   4.717   4.496
  552    HA   MET  68           HA       MET  68 -10.565   3.215   2.098
  553    HB2  MET  68           HB2      MET  68 -11.688   2.324   4.794
  554    HB3  MET  68           HB3      MET  68 -11.182   1.222   3.518
  555    HG2  MET  68           HG2      MET  68  -9.353   3.204   4.898
  556    HG3  MET  68           HG3      MET  68  -9.531   1.525   5.373
  557    HE1  MET  68           HE1      MET  68  -9.473  -0.292   2.876
  558    HE2  MET  68           HE2      MET  68  -7.721  -0.523   2.702
  559    HE3  MET  68           HE3      MET  68  -8.449  -0.485   4.320
  560    H    ALA  69           H        ALA  69 -11.949   1.783   0.962
  561    HA   ALA  69           HA       ALA  69 -14.738   2.626   0.685
  562    HB1  ALA  69           HB1      ALA  69 -14.821   1.046  -1.102
  563    HB2  ALA  69           HB2      ALA  69 -13.197   1.733  -1.185
  564    HB3  ALA  69           HB3      ALA  69 -13.460   0.130  -0.449
  565    HA   PRO  70           HA       PRO  70 -16.673   0.000   3.566
  566    HB2  PRO  70           HB2      PRO  70 -17.951  -1.667   1.395
  567    HB3  PRO  70           HB3      PRO  70 -18.689  -0.962   2.870
  568    HG2  PRO  70           HG2      PRO  70 -19.007   0.262   0.463
  569    HG3  PRO  70           HG3      PRO  70 -18.638   1.241   1.921
  570    HD2  PRO  70           HD2      PRO  70 -16.750   0.308  -0.247
  571    HD3  PRO  70           HD3      PRO  70 -16.863   1.916   0.534
  572    H    ASP  71           H        ASP  71 -16.214  -1.691   4.787
  573    HA   ASP  71           HA       ASP  71 -14.274  -3.669   4.246
  574    HB2  ASP  71           HB2      ASP  71 -14.896  -4.598   6.321
  575    HB3  ASP  71           HB3      ASP  71 -15.097  -2.865   6.514
  576    H    ASP  72           H        ASP  72 -17.626  -3.485   3.372
  577    HA   ASP  72           HA       ASP  72 -18.270  -6.253   3.092
  578    HB2  ASP  72           HB2      ASP  72 -19.939  -4.443   3.233
  579    HB3  ASP  72           HB3      ASP  72 -19.367  -3.778   1.701
  580    H    GLU  73           H        GLU  73 -16.285  -4.130   1.134
  581    HA   GLU  73           HA       GLU  73 -16.245  -6.197  -1.025
  582    HB2  GLU  73           HB2      GLU  73 -16.031  -4.480  -2.688
  583    HB3  GLU  73           HB3      GLU  73 -17.528  -4.291  -1.782
  584    HG2  GLU  73           HG2      GLU  73 -16.537  -2.431  -0.488
  585    HG3  GLU  73           HG3      GLU  73 -15.001  -2.636  -1.336
  586    H    CYS  74           H        CYS  74 -14.335  -4.262   1.166
  587    HA   CYS  74           HA       CYS  74 -11.853  -4.699  -0.298
  588    HB2  CYS  74           HB2      CYS  74 -12.335  -3.782   2.560
  589    HB3  CYS  74           HB3      CYS  74 -10.783  -3.773   1.693
  590    HG   CYS  74           HG       CYS  74 -13.588  -2.163   1.044
  591    H    LEU  75           H        LEU  75 -13.096  -7.137  -0.140
  592    HA   LEU  75           HA       LEU  75 -11.765  -8.654   2.054
  593    HB2  LEU  75           HB2      LEU  75 -14.124  -9.284   0.252
  594    HB3  LEU  75           HB3      LEU  75 -13.412 -10.466   1.347
  595    HG   LEU  75           HG       LEU  75 -14.466  -7.789   2.324
  596   HD11  LEU  75          HD11      LEU  75 -16.294  -9.018   1.243
  597   HD12  LEU  75          HD12      LEU  75 -15.932 -10.456   2.225
  598   HD13  LEU  75          HD13      LEU  75 -16.512  -8.959   2.997
  599   HD21  LEU  75          HD21      LEU  75 -13.981 -10.411   3.815
  600   HD22  LEU  75          HD22      LEU  75 -12.891  -9.014   3.863
  601   HD23  LEU  75          HD23      LEU  75 -14.523  -8.869   4.515
  602    H    LYS  76           H        LYS  76 -11.190  -7.866  -1.146
  603    HA   LYS  76           HA       LYS  76  -9.588 -10.350  -1.609
  604    HB2  LYS  76           HB2      LYS  76 -11.285  -8.849  -3.645
  605    HB3  LYS  76           HB3      LYS  76 -10.180 -10.181  -4.005
  606    HG2  LYS  76           HG2      LYS  76 -11.515 -11.681  -2.527
  607    HG3  LYS  76           HG3      LYS  76 -12.669 -10.360  -2.251
  608    HD2  LYS  76           HD2      LYS  76 -13.114 -10.239  -4.690
  609    HD3  LYS  76           HD3      LYS  76 -12.017 -11.595  -4.969
  610    HE2  LYS  76           HE2      LYS  76 -14.534 -11.687  -3.235
  611    HE3  LYS  76           HE3      LYS  76 -14.459 -12.200  -4.922
  612    HZ1  LYS  76           HZ1      LYS  76 -14.240 -14.078  -3.453
  613    HZ2  LYS  76           HZ2      LYS  76 -12.851 -13.898  -4.280
  614    HZ3  LYS  76           HZ3      LYS  76 -12.937 -13.447  -2.708
  615    H    ASP  77           H        ASP  77  -9.764  -6.857  -1.722
  616    HA   ASP  77           HA       ASP  77  -6.945  -6.558  -2.088
  617    HB2  ASP  77           HB2      ASP  77  -7.773  -6.762  -4.482
  618    HB3  ASP  77           HB3      ASP  77  -8.815  -5.376  -4.188
  619    H    MET  78           H        MET  78  -6.585  -4.050  -1.853
  620    HA   MET  78           HA       MET  78  -8.590  -3.037   0.133
  621    HB2  MET  78           HB2      MET  78  -5.703  -2.280  -0.441
  622    HB3  MET  78           HB3      MET  78  -6.745  -1.395   0.676
  623    HG2  MET  78           HG2      MET  78  -6.021  -4.336   0.940
  624    HG3  MET  78           HG3      MET  78  -5.244  -3.013   1.792
  625    HE1  MET  78           HE1      MET  78  -8.586  -5.095   1.373
  626    HE2  MET  78           HE2      MET  78  -7.314  -5.866   2.351
  627    HE3  MET  78           HE3      MET  78  -8.841  -5.371   3.105
  628    H    TYR  79           H        TYR  79  -9.602  -1.028  -0.126
  629    HA   TYR  79           HA       TYR  79  -9.173   0.470  -2.646
  630    HB2  TYR  79           HB2      TYR  79 -11.846  -0.597  -1.686
  631    HB3  TYR  79           HB3      TYR  79 -11.610   0.467  -3.052
  632    HD1  TYR  79           HD2      TYR  79 -11.291  -2.981  -1.782
  633    HD2  TYR  79           HD1      TYR  79 -10.902  -0.414  -5.225
  634    HE1  TYR  79           HE2      TYR  79 -11.318  -4.965  -3.242
  635    HE2  TYR  79           HE1      TYR  79 -10.927  -2.402  -6.707
  636    HH   TYR  79           HH       TYR  79 -11.213  -5.757  -5.434
  637    H    VAL  80           H        VAL  80 -10.230   2.536  -2.638
  638    HA   VAL  80           HA       VAL  80 -10.898   3.702   0.007
  639    HB   VAL  80           HB       VAL  80  -9.410   5.671  -0.709
  640   HG11  VAL  80          HG11      VAL  80  -8.068   3.076   0.149
  641   HG12  VAL  80          HG12      VAL  80  -7.405   4.717   0.334
  642   HG13  VAL  80          HG13      VAL  80  -8.869   4.261   1.202
  643   HG21  VAL  80          HG21      VAL  80  -7.452   5.205  -2.077
  644   HG22  VAL  80          HG22      VAL  80  -7.986   3.537  -2.374
  645   HG23  VAL  80          HG23      VAL  80  -8.910   4.902  -3.031
  646    H    GLU  81           H        GLU  81 -12.227   5.497  -0.125
  647    HA   GLU  81           HA       GLU  81 -13.720   5.855  -2.664
  648    HB2  GLU  81           HB2      GLU  81 -14.072   7.063   0.118
  649    HB3  GLU  81           HB3      GLU  81 -15.069   7.454  -1.292
  650    HG2  GLU  81           HG2      GLU  81 -15.675   5.010  -1.468
  651    HG3  GLU  81           HG3      GLU  81 -14.819   4.736   0.051
  652    H    VAL  82           H        VAL  82 -13.444   7.723  -3.930
  653    HA   VAL  82           HA       VAL  82 -11.520   9.764  -2.993
  654    HB   VAL  82           HB       VAL  82 -10.105   9.549  -4.892
  655   HG11  VAL  82          HG11      VAL  82 -10.425   6.698  -3.913
  656   HG12  VAL  82          HG12      VAL  82  -8.962   7.489  -4.530
  657   HG13  VAL  82          HG13      VAL  82  -9.650   7.984  -2.977
  658   HG21  VAL  82          HG21      VAL  82 -11.642   8.870  -6.665
  659   HG22  VAL  82          HG22      VAL  82 -10.282   7.756  -6.588
  660   HG23  VAL  82          HG23      VAL  82 -11.852   7.271  -5.910
  661    H    ALA  83           H        ALA  83 -11.653  11.766  -4.125
  662    HA   ALA  83           HA       ALA  83 -13.928  12.056  -6.037
  663    HB1  ALA  83           HB1      ALA  83 -14.620  12.976  -3.874
  664    HB2  ALA  83           HB2      ALA  83 -13.114  13.923  -3.766
  665    HB3  ALA  83           HB3      ALA  83 -14.314  14.288  -5.026
  666    H    ASP  84           H        ASP  84 -13.401  13.209  -7.820
  667    HA   ASP  84           HA       ASP  84 -10.584  13.483  -8.464
  668    HB2  ASP  84           HB2      ASP  84 -12.161  12.818 -10.195
  669    HB3  ASP  84           HB3      ASP  84 -13.153  14.255  -9.885
  670    H    ILE  85           H        ILE  85  -9.277  15.209  -8.191
  671    HA   ILE  85           HA       ILE  85 -10.418  17.744  -7.215
  672    HB   ILE  85           HB       ILE  85  -7.559  16.828  -7.629
  673   HG12  ILE  85          HG12      ILE  85  -9.186  17.209  -5.061
  674   HG13  ILE  85          HG13      ILE  85  -8.849  15.656  -5.800
  675   HG21  ILE  85          HG21      ILE  85  -8.561  19.309  -6.169
  676   HG22  ILE  85          HG22      ILE  85  -6.868  18.797  -6.329
  677   HG23  ILE  85          HG23      ILE  85  -7.733  19.325  -7.749
  678   HD11  ILE  85          HD11      ILE  85  -6.778  17.527  -4.583
  679   HD12  ILE  85          HD12      ILE  85  -7.315  15.978  -3.969
  680   HD13  ILE  85          HD13      ILE  85  -6.404  16.030  -5.481
  681    H    GLY  86           H        GLY  86  -9.437  16.292 -10.263
  682    HA2  GLY  86           HA2      GLY  86  -8.463  18.505 -11.697
  683    HA3  GLY  86           HA3      GLY  86  -9.280  17.085 -12.371
  684    H    GLY  87           H        GLY  87 -11.858  17.311 -11.366
  685    HA2  GLY  87           HA2      GLY  87 -12.934  19.978 -11.371
  686    HA3  GLY  87           HA3      GLY  87 -13.129  19.221 -12.961
  687    H    LYS  88           H        LYS  88 -13.496  16.450 -11.672
  688    HA   LYS  88           HA       LYS  88 -16.397  16.777 -11.323
  689    HB2  LYS  88           HB2      LYS  88 -14.746  14.222 -11.406
  690    HB3  LYS  88           HB3      LYS  88 -16.493  14.357 -11.520
  691    HG2  LYS  88           HG2      LYS  88 -14.483  15.369 -13.573
  692    HG3  LYS  88           HG3      LYS  88 -15.480  13.920 -13.686
  693    HD2  LYS  88           HD2      LYS  88 -17.543  15.359 -13.650
  694    HD3  LYS  88           HD3      LYS  88 -16.509  16.791 -13.594
  695    HE2  LYS  88           HE2      LYS  88 -17.191  16.519 -15.858
  696    HE3  LYS  88           HE3      LYS  88 -15.472  16.133 -15.761
  697    HZ1  LYS  88           HZ1      LYS  88 -16.076  13.775 -15.817
  698    HZ2  LYS  88           HZ2      LYS  88 -17.671  14.143 -15.882
  699    HZ3  LYS  88           HZ3      LYS  88 -16.688  14.542 -17.115
  700    H    ASP  89           H        ASP  89 -14.857  17.898  -9.214
  701    HA   ASP  89           HA       ASP  89 -14.654  16.284  -6.882
  702    HB2  ASP  89           HB2      ASP  89 -13.567  18.470  -7.118
  703    HB3  ASP  89           HB3      ASP  89 -15.134  19.264  -7.260
  704    H    ASP  90           H        ASP  90 -17.403  17.701  -8.485
  705    HA   ASP  90           HA       ASP  90 -19.300  17.789  -6.371
  706    HB2  ASP  90           HB2      ASP  90 -19.521  18.923  -8.560
  707    HB3  ASP  90           HB3      ASP  90 -19.659  17.358  -9.362
  708    H    ASP  91           H        ASP  91 -17.774  15.012  -7.727
  709    HA   ASP  91           HA       ASP  91 -19.890  13.228  -6.678
  710    HB2  ASP  91           HB2      ASP  91 -20.174  13.527  -9.169
  711    HB3  ASP  91           HB3      ASP  91 -18.549  12.870  -9.384
  712    H    VAL  92           H        VAL  92 -18.989  10.938  -6.555
  713    HA   VAL  92           HA       VAL  92 -16.120  10.915  -5.818
  714    HB   VAL  92           HB       VAL  92 -17.582  11.475  -3.905
  715   HG11  VAL  92          HG11      VAL  92 -18.802   8.705  -4.194
  716   HG12  VAL  92          HG12      VAL  92 -19.088   9.856  -2.876
  717   HG13  VAL  92          HG13      VAL  92 -19.637  10.243  -4.509
  718   HG21  VAL  92          HG21      VAL  92 -15.483  10.361  -3.439
  719   HG22  VAL  92          HG22      VAL  92 -16.718   9.898  -2.270
  720   HG23  VAL  92          HG23      VAL  92 -16.265   8.765  -3.557
  721    H    TYR  93           H        TYR  93 -15.264   8.844  -5.689
  722    HA   TYR  93           HA       TYR  93 -16.500   6.689  -7.316
  723    HB2  TYR  93           HB2      TYR  93 -13.726   7.903  -7.696
  724    HB3  TYR  93           HB3      TYR  93 -14.473   6.664  -8.688
  725    HD1  TYR  93           HD2      TYR  93 -16.296   7.242 -10.291
  726    HD2  TYR  93           HD1      TYR  93 -14.261  10.269  -7.986
  727    HE1  TYR  93           HE2      TYR  93 -17.203   8.984 -11.793
  728    HE2  TYR  93           HE1      TYR  93 -15.188  12.031  -9.475
  729    HH   TYR  93           HH       TYR  93 -17.317  11.255 -12.266
  730    H    THR  94           H        THR  94 -14.589   4.931  -7.388
  731    HA   THR  94           HA       THR  94 -13.323   4.653  -4.707
  732    HB   THR  94           HB       THR  94 -14.608   2.306  -6.131
  733    HG1  THR  94           HG1      THR  94 -16.385   2.558  -4.877
  734   HG21  THR  94          HG21      THR  94 -13.747   2.776  -3.242
  735   HG22  THR  94          HG22      THR  94 -14.464   1.278  -3.884
  736   HG23  THR  94          HG23      THR  94 -12.871   1.804  -4.446
  737    H    ALA  95           H        ALA  95 -11.276   3.927  -4.803
  738    HA   ALA  95           HA       ALA  95 -10.134   3.057  -7.421
  739    HB1  ALA  95           HB1      ALA  95  -8.925   4.984  -5.376
  740    HB2  ALA  95           HB2      ALA  95  -8.106   4.365  -6.818
  741    HB3  ALA  95           HB3      ALA  95  -9.523   5.422  -6.990
  742    H    LYS  96           H        LYS  96  -8.241   1.658  -7.100
  743    HA   LYS  96           HA       LYS  96  -8.391  -0.071  -4.730
  744    HB2  LYS  96           HB2      LYS  96  -6.455   0.111  -7.085
  745    HB3  LYS  96           HB3      LYS  96  -6.331  -1.067  -5.783
  746    HG2  LYS  96           HG2      LYS  96  -8.326  -2.169  -6.393
  747    HG3  LYS  96           HG3      LYS  96  -8.841  -0.887  -7.497
  748    HD2  LYS  96           HD2      LYS  96  -6.234  -2.371  -7.942
  749    HD3  LYS  96           HD3      LYS  96  -7.770  -3.068  -8.479
  750    HE2  LYS  96           HE2      LYS  96  -8.198  -1.361 -10.033
  751    HE3  LYS  96           HE3      LYS  96  -7.088  -0.226  -9.255
  752    HZ1  LYS  96           HZ1      LYS  96  -6.152  -2.647 -10.666
  753    HZ2  LYS  96           HZ2      LYS  96  -6.215  -1.145 -11.334
  754    HZ3  LYS  96           HZ3      LYS  96  -5.249  -1.387 -10.050
  755    H    LEU  97           H        LEU  97  -7.095   0.251  -2.934
  756    HA   LEU  97           HA       LEU  97  -5.535   2.679  -2.582
  757    HB2  LEU  97           HB2      LEU  97  -6.468   1.391  -0.665
  758    HB3  LEU  97           HB3      LEU  97  -5.459   0.012  -1.112
  759    HG   LEU  97           HG       LEU  97  -3.404   1.348  -0.647
  760   HD11  LEU  97          HD11      LEU  97  -4.203   3.641  -1.028
  761   HD12  LEU  97          HD12      LEU  97  -5.372   3.479   0.306
  762   HD13  LEU  97          HD13      LEU  97  -3.632   3.478   0.633
  763   HD21  LEU  97          HD21      LEU  97  -5.399   1.245   1.644
  764   HD22  LEU  97          HD22      LEU  97  -4.378  -0.093   1.059
  765   HD23  LEU  97          HD23      LEU  97  -3.627   1.331   1.788
  766    H    SER  98           H        SER  98  -5.035  -0.561  -3.779
  767    HA   SER  98           HA       SER  98  -2.229  -0.715  -3.968
  768    HB2  SER  98           HB2      SER  98  -4.381  -2.080  -5.644
  769    HB3  SER  98           HB3      SER  98  -2.786  -2.713  -5.219
  770    HG   SER  98           HG       SER  98  -4.696  -3.423  -3.843
  771    H    ASP  99           H        ASP  99  -4.263   1.423  -5.639
  772    HA   ASP  99           HA       ASP  99  -2.321   1.759  -7.877
  773    HB2  ASP  99           HB2      ASP  99  -5.366   1.882  -7.892
  774    HB3  ASP  99           HB3      ASP  99  -4.403   2.721  -9.082
  775    H    ILE 100           H        ILE 100  -2.925   2.997  -4.981
  776    HA   ILE 100           HA       ILE 100  -3.115   5.843  -5.869
  777    HB   ILE 100           HB       ILE 100  -4.352   4.312  -3.621
  778   HG12  ILE 100          HG12      ILE 100  -5.409   5.232  -5.817
  779   HG13  ILE 100          HG13      ILE 100  -6.300   5.297  -4.298
  780   HG21  ILE 100          HG21      ILE 100  -3.608   7.231  -3.221
  781   HG22  ILE 100          HG22      ILE 100  -4.793   6.317  -2.261
  782   HG23  ILE 100          HG23      ILE 100  -3.097   5.835  -2.249
  783   HD11  ILE 100          HD11      ILE 100  -4.782   7.658  -5.462
  784   HD12  ILE 100          HD12      ILE 100  -6.515   7.335  -5.697
  785   HD13  ILE 100          HD13      ILE 100  -5.896   7.673  -4.079
  786    H    GLU 101           H        GLU 101  -1.757   7.265  -5.020
  787    HA   GLU 101           HA       GLU 101   0.259   6.389  -3.046
  788    HB2  GLU 101           HB2      GLU 101   1.370   6.231  -5.253
  789    HB3  GLU 101           HB3      GLU 101   0.859   7.874  -5.647
  790    HG2  GLU 101           HG2      GLU 101   3.214   7.806  -4.967
  791    HG3  GLU 101           HG3      GLU 101   2.269   8.791  -3.867
  792    H    ALA 102           H        ALA 102   0.652   8.059  -1.534
  793    HA   ALA 102           HA       ALA 102  -1.437  10.135  -1.498
  794    HB1  ALA 102           HB1      ALA 102  -0.415  10.716   0.696
  795    HB2  ALA 102           HB2      ALA 102  -1.007   9.076   0.623
  796    HB3  ALA 102           HB3      ALA 102   0.747   9.385   0.486
  797    H    ILE 103           H        ILE 103  -1.023  12.331  -1.260
  798    HA   ILE 103           HA       ILE 103   1.687  13.329  -2.043
  799    HB   ILE 103           HB       ILE 103  -1.076  14.428  -2.682
  800   HG12  ILE 103          HG12      ILE 103   1.036  13.475  -4.670
  801   HG13  ILE 103          HG13      ILE 103  -0.254  12.432  -4.097
  802   HG21  ILE 103          HG21      ILE 103   0.547  16.258  -2.264
  803   HG22  ILE 103          HG22      ILE 103   1.659  15.542  -3.449
  804   HG23  ILE 103          HG23      ILE 103   0.088  16.200  -3.958
  805   HD11  ILE 103          HD11      ILE 103  -1.954  14.042  -4.946
  806   HD12  ILE 103          HD12      ILE 103  -0.637  14.991  -5.685
  807   HD13  ILE 103          HD13      ILE 103  -0.937  13.328  -6.198
  808    H    ASP 104           H        ASP 104   2.609  14.613  -0.636
  809    HA   ASP 104           HA       ASP 104   3.079  15.737   1.240
  810    HB2  ASP 104           HB2      ASP 104   2.180  17.403  -0.325
  811    HB3  ASP 104           HB3      ASP 104   0.585  17.238   0.413
  812    H    VAL 105           H        VAL 105   1.896  13.382   2.017
  813    HA   VAL 105           HA       VAL 105  -0.092  14.102   4.096
  814    HB   VAL 105           HB       VAL 105  -0.439  12.316   2.282
  815   HG11  VAL 105          HG11      VAL 105   1.198  10.628   4.193
  816   HG12  VAL 105          HG12      VAL 105   0.198  10.015   2.894
  817   HG13  VAL 105          HG13      VAL 105   1.623  11.010   2.520
  818   HG21  VAL 105          HG21      VAL 105  -1.111  11.584   5.126
  819   HG22  VAL 105          HG22      VAL 105  -1.943  12.801   4.145
  820   HG23  VAL 105          HG23      VAL 105  -1.928  11.118   3.618
  821    H    ASP 106           H        ASP 106   0.080  12.560   6.127
  822    HA   ASP 106           HA       ASP 106   2.557  13.290   7.448
  823    HB2  ASP 106           HB2      ASP 106   1.389  13.129   9.306
  824    HB3  ASP 106           HB3      ASP 106  -0.053  12.898   8.327
  825    H    ASP 107           H        ASP 107   3.848  11.727   8.662
  826    HA   ASP 107           HA       ASP 107   5.004   9.870   6.941
  827    HB2  ASP 107           HB2      ASP 107   6.189  10.918   8.801
  828    HB3  ASP 107           HB3      ASP 107   5.164  10.076   9.968
  829    H    ASP 108           H        ASP 108   2.507   9.253   9.498
  830    HA   ASP 108           HA       ASP 108   2.883   6.371   9.357
  831    HB2  ASP 108           HB2      ASP 108   0.755   8.141  10.598
  832    HB3  ASP 108           HB3      ASP 108   0.546   6.403  10.471
  833    H    THR 109           H        THR 109   0.499   8.697   7.908
  834    HA   THR 109           HA       THR 109  -1.001   6.728   6.543
  835    HB   THR 109           HB       THR 109  -0.447   9.619   5.710
  836    HG1  THR 109           HG1      THR 109  -1.203   9.615   7.771
  837   HG21  THR 109          HG21      THR 109  -2.811   7.782   5.136
  838   HG22  THR 109          HG22      THR 109  -2.768   9.503   4.811
  839   HG23  THR 109          HG23      THR 109  -1.653   8.433   3.943
  840    H    GLN 110           H        GLN 110   1.954   8.539   5.515
  841    HA   GLN 110           HA       GLN 110   2.014   7.341   2.945
  842    HB2  GLN 110           HB2      GLN 110   3.195   9.434   3.613
  843    HB3  GLN 110           HB3      GLN 110   4.302   8.481   4.600
  844    HG2  GLN 110           HG2      GLN 110   5.280   9.087   2.455
  845    HG3  GLN 110           HG3      GLN 110   5.133   7.332   2.603
  846   HE21  GLN 110          HE22      GLN 110   3.568   6.209   1.235
  847   HE22  GLN 110          HE21      GLN 110   2.974   7.002  -0.234
  848    H    GLU 111           H        GLU 111   3.426   6.299   6.082
  849    HA   GLU 111           HA       GLU 111   4.984   4.155   5.075
  850    HB2  GLU 111           HB2      GLU 111   3.722   4.803   7.754
  851    HB3  GLU 111           HB3      GLU 111   4.464   3.232   7.508
  852    HG2  GLU 111           HG2      GLU 111   5.972   5.799   6.917
  853    HG3  GLU 111           HG3      GLU 111   5.912   5.077   8.528
  854    H    ALA 112           H        ALA 112   1.529   4.202   6.156
  855    HA   ALA 112           HA       ALA 112   1.139   1.392   5.915
  856    HB1  ALA 112           HB1      ALA 112  -0.440   2.844   7.070
  857    HB2  ALA 112           HB2      ALA 112  -0.784   3.728   5.575
  858    HB3  ALA 112           HB3      ALA 112  -1.278   2.025   5.741
  859    H    ILE 113           H        ILE 113   0.872   4.050   3.545
  860    HA   ILE 113           HA       ILE 113  -0.237   2.466   1.429
  861    HB   ILE 113           HB       ILE 113   1.294   5.082   1.496
  862   HG12  ILE 113          HG12      ILE 113  -1.679   4.665   0.989
  863   HG13  ILE 113          HG13      ILE 113  -1.039   4.799   2.621
  864   HG21  ILE 113          HG21      ILE 113   0.375   5.488  -0.802
  865   HG22  ILE 113          HG22      ILE 113   1.580   4.207  -0.729
  866   HG23  ILE 113          HG23      ILE 113  -0.148   3.791  -0.855
  867   HD11  ILE 113          HD11      ILE 113  -0.925   6.896   0.475
  868   HD12  ILE 113          HD12      ILE 113  -1.731   6.958   2.066
  869   HD13  ILE 113          HD13      ILE 113   0.034   6.989   1.978
  870    H    ALA 114           H        ALA 114   3.144   3.566   2.085
  871    HA   ALA 114           HA       ALA 114   4.353   2.250  -0.101
  872    HB1  ALA 114           HB1      ALA 114   5.469   4.001   1.232
  873    HB2  ALA 114           HB2      ALA 114   5.475   2.939   2.659
  874    HB3  ALA 114           HB3      ALA 114   6.440   2.513   1.228
  875    H    ASP 115           H        ASP 115   3.730   1.164   3.249
  876    HA   ASP 115           HA       ASP 115   5.015  -1.354   3.054
  877    HB2  ASP 115           HB2      ASP 115   4.442  -0.262   5.174
  878    HB3  ASP 115           HB3      ASP 115   2.718  -0.454   4.828
  879    H    TRP 116           H        TRP 116   1.583  -0.406   2.464
  880    HA   TRP 116           HA       TRP 116   0.694  -3.059   1.885
  881    HB2  TRP 116           HB2      TRP 116  -0.852  -1.245   2.415
  882    HB3  TRP 116           HB3      TRP 116  -0.354  -0.351   0.978
  883    HD1  TRP 116           HD1      TRP 116  -1.729  -0.753  -1.131
  884    HE1  TRP 116           HE1      TRP 116  -3.338  -2.532  -2.023
  885    HE3  TRP 116           HE3      TRP 116  -1.565  -4.040   2.805
  886    HZ2  TRP 116           HZ2      TRP 116  -4.300  -5.130  -1.212
  887    HZ3  TRP 116           HZ3      TRP 116  -2.835  -6.162   2.708
  888    HH2  TRP 116           HH2      TRP 116  -4.183  -6.733   0.695
  889    H    LEU 117           H        LEU 117   2.220  -0.497  -0.130
  890    HA   LEU 117           HA       LEU 117   1.677  -1.835  -2.598
  891    HB2  LEU 117           HB2      LEU 117   3.642   0.336  -1.815
  892    HB3  LEU 117           HB3      LEU 117   3.540  -0.282  -3.460
  893    HG   LEU 117           HG       LEU 117   1.113   0.851  -2.001
  894   HD11  LEU 117          HD11      LEU 117   2.850   2.574  -2.153
  895   HD12  LEU 117          HD12      LEU 117   3.018   2.279  -3.899
  896   HD13  LEU 117          HD13      LEU 117   1.500   2.934  -3.238
  897   HD21  LEU 117          HD21      LEU 117   1.645   0.332  -4.955
  898   HD22  LEU 117          HD22      LEU 117   0.520  -0.565  -3.912
  899   HD23  LEU 117          HD23      LEU 117   0.206   1.129  -4.282
  900    H    TYR 118           H        TYR 118   4.629  -1.989  -0.429
  901    HA   TYR 118           HA       TYR 118   5.784  -3.864  -2.346
  902    HB2  TYR 118           HB2      TYR 118   7.505  -4.372  -0.749
  903    HB3  TYR 118           HB3      TYR 118   7.378  -2.693  -1.190
  904    HD1  TYR 118           HD1      TYR 118   6.111  -4.961   1.597
  905    HD2  TYR 118           HD2      TYR 118   7.900  -1.194   0.472
  906    HE1  TYR 118           HE1      TYR 118   6.250  -4.322   3.967
  907    HE2  TYR 118           HE2      TYR 118   8.125  -0.587   2.855
  908    HH   TYR 118           HH       TYR 118   6.504  -2.432   5.390
  909    H    TRP 119           H        TRP 119   3.663  -4.241   0.534
  910    HA   TRP 119           HA       TRP 119   3.830  -7.090   0.608
  911    HB2  TRP 119           HB2      TRP 119   2.774  -5.939   2.403
  912    HB3  TRP 119           HB3      TRP 119   1.658  -5.113   1.327
  913    HD1  TRP 119           HD1      TRP 119  -0.467  -6.308   0.546
  914    HE1  TRP 119           HE1      TRP 119  -1.695  -8.438   1.220
  915    HE3  TRP 119           HE3      TRP 119   3.262  -8.543   3.246
  916    HZ2  TRP 119           HZ2      TRP 119  -1.134 -10.838   2.775
  917    HZ3  TRP 119           HZ3      TRP 119   2.914 -10.787   4.249
  918    HH2  TRP 119           HH2      TRP 119   0.723 -11.937   4.024
  919    H    LEU 120           H        LEU 120   1.886  -4.860  -1.435
  920    HA   LEU 120           HA       LEU 120   0.421  -6.762  -2.852
  921    HB2  LEU 120           HB2      LEU 120   0.560  -4.059  -2.979
  922    HB3  LEU 120           HB3      LEU 120   1.614  -4.418  -4.335
  923    HG   LEU 120           HG       LEU 120  -0.387  -6.064  -5.029
  924   HD11  LEU 120          HD11      LEU 120  -1.641  -5.552  -2.883
  925   HD12  LEU 120          HD12      LEU 120  -1.783  -3.884  -3.410
  926   HD13  LEU 120          HD13      LEU 120  -2.573  -5.168  -4.348
  927   HD21  LEU 120          HD21      LEU 120   0.419  -4.202  -6.403
  928   HD22  LEU 120          HD22      LEU 120  -1.349  -4.231  -6.377
  929   HD23  LEU 120          HD23      LEU 120  -0.460  -3.036  -5.393
  930    H    ALA 121           H        ALA 121   3.697  -5.453  -3.481
  931    HA   ALA 121           HA       ALA 121   4.227  -6.882  -5.858
  932    HB1  ALA 121           HB1      ALA 121   5.448  -4.845  -5.087
  933    HB2  ALA 121           HB2      ALA 121   6.229  -5.826  -3.820
  934    HB3  ALA 121           HB3      ALA 121   6.533  -6.179  -5.527
  935    H    ARG 122           H        ARG 122   4.331  -8.025  -2.514
  936    HA   ARG 122           HA       ARG 122   6.061 -10.280  -2.959
  937    HB2  ARG 122           HB2      ARG 122   3.679 -10.097  -1.064
  938    HB3  ARG 122           HB3      ARG 122   4.909 -11.358  -1.072
  939    HG2  ARG 122           HG2      ARG 122   6.653  -9.663  -0.628
  940    HG3  ARG 122           HG3      ARG 122   5.385  -8.437  -0.461
  941    HD2  ARG 122           HD2      ARG 122   4.998  -9.018   1.661
  942    HD3  ARG 122           HD3      ARG 122   4.662 -10.683   1.187
  943    HE   ARG 122           HE       ARG 122   7.477  -9.755   1.530
  944   HH11  ARG 122          HH11      ARG 122   4.857 -11.865   2.716
  945   HH12  ARG 122          HH12      ARG 122   5.900 -12.740   3.781
  946   HH21  ARG 122          HH21      ARG 122   8.806 -10.901   2.939
  947   HH22  ARG 122          HH22      ARG 122   8.155 -12.201   3.923
  948    H    GLY 123           H        GLY 123   2.900  -9.638  -4.315
  949    HA2  GLY 123           HA2      GLY 123   1.481 -10.971  -5.530
  950    HA3  GLY 123           HA3      GLY 123   2.699 -12.265  -5.527
  951    H    TYR 124           H        TYR 124   1.118 -10.526  -2.835
  952    HA   TYR 124           HA       TYR 124   0.842 -12.703  -1.113
  953    HB2  TYR 124           HB2      TYR 124  -0.411 -11.266   0.261
  954    HB3  TYR 124           HB3      TYR 124   0.750 -10.234  -0.548
  955    HD1  TYR 124           HD2      TYR 124  -0.133  -8.998  -2.744
  956    HD2  TYR 124           HD1      TYR 124  -2.710 -10.693   0.281
  957    HE1  TYR 124           HE2      TYR 124  -2.013  -7.658  -3.598
  958    HE2  TYR 124           HE1      TYR 124  -4.578  -9.299  -0.542
  959    HH   TYR 124           HH       TYR 124  -4.260  -7.035  -3.294
  960    H    LYS 125           H        LYS 125  -1.092 -13.735  -0.284
  961    HA   LYS 125           HA       LYS 125  -3.286 -14.162  -2.253
  962    HB2  LYS 125           HB2      LYS 125  -1.591 -16.392  -1.033
  963    HB3  LYS 125           HB3      LYS 125  -2.950 -16.585  -2.150
  964    HG2  LYS 125           HG2      LYS 125  -1.670 -15.303  -3.878
  965    HG3  LYS 125           HG3      LYS 125  -0.294 -15.258  -2.753
  966    HD2  LYS 125           HD2      LYS 125  -0.131 -17.707  -2.785
  967    HD3  LYS 125           HD3      LYS 125  -1.546 -17.801  -3.842
  968    HE2  LYS 125           HE2      LYS 125   0.473 -18.045  -5.176
  969    HE3  LYS 125           HE3      LYS 125  -0.363 -16.552  -5.606
  970    HZ1  LYS 125           HZ1      LYS 125   2.025 -16.238  -5.398
  971    HZ2  LYS 125           HZ2      LYS 125   1.259 -15.321  -4.284
  972    HZ3  LYS 125           HZ3      LYS 125   2.013 -16.714  -3.840
  973    H    PHE 126           H        PHE 126  -2.728 -13.185   0.709
  974    HA   PHE 126           HA       PHE 126  -3.517 -13.345   2.791
  975    HB2  PHE 126           HB2      PHE 126  -6.070 -14.081   1.342
  976    HB3  PHE 126           HB3      PHE 126  -5.981 -13.778   3.058
  977    HD1  PHE 126           HD1      PHE 126  -4.176 -11.351   3.194
  978    HD2  PHE 126           HD2      PHE 126  -7.427 -12.340   0.529
  979    HE1  PHE 126           HE1      PHE 126  -4.640  -8.947   2.861
  980    HE2  PHE 126           HE2      PHE 126  -7.882  -9.928   0.206
  981    HZ   PHE 126           HZ       PHE 126  -6.493  -8.223   1.368
  Start of MODEL    4
    1    H1   MET   1           H1       MET   1  11.838 -15.857  -4.040
    2    H2   MET   1           H2       MET   1  10.490 -15.060  -3.561
    3    H3   MET   1           H3       MET   1  10.741 -15.347  -5.151
    4    HA   MET   1           HA       MET   1  12.363 -13.595  -3.441
    5    HB2  MET   1           HB2      MET   1  13.714 -14.732  -5.177
    6    HB3  MET   1           HB3      MET   1  12.622 -14.141  -6.433
    7    HG2  MET   1           HG2      MET   1  14.653 -12.800  -6.305
    8    HG3  MET   1           HG3      MET   1  13.244 -11.820  -5.919
    9    HE1  MET   1           HE1      MET   1  16.148 -10.217  -3.806
   10    HE2  MET   1           HE2      MET   1  16.348 -11.029  -5.374
   11    HE3  MET   1           HE3      MET   1  14.947  -9.971  -5.094
   12    H    ALA   2           H        ALA   2  11.383 -11.685  -3.050
   13    HA   ALA   2           HA       ALA   2   9.614 -10.489  -5.140
   14    HB1  ALA   2           HB1      ALA   2   8.129  -9.703  -3.334
   15    HB2  ALA   2           HB2      ALA   2   8.200 -11.471  -3.387
   16    HB3  ALA   2           HB3      ALA   2   9.111 -10.580  -2.147
   17    H    SER   3           H        SER   3  12.521 -10.175  -3.697
   18    HA   SER   3           HA       SER   3  13.966  -8.555  -3.275
   19    HB2  SER   3           HB2      SER   3  12.164  -6.645  -4.804
   20    HB3  SER   3           HB3      SER   3  13.893  -6.466  -4.477
   21    HG   SER   3           HG       SER   3  13.458  -7.269  -6.588
   22    H    VAL   4           H        VAL   4  11.725  -9.139  -1.449
   23    HA   VAL   4           HA       VAL   4  12.148  -6.868   0.349
   24    HB   VAL   4           HB       VAL   4  10.165  -6.304  -1.037
   25   HG11  VAL   4          HG11      VAL   4   9.127  -8.473  -1.357
   26   HG12  VAL   4          HG12      VAL   4   8.750  -8.588   0.378
   27   HG13  VAL   4          HG13      VAL   4   7.989  -7.340  -0.628
   28   HG21  VAL   4          HG21      VAL   4   9.296  -6.580   1.825
   29   HG22  VAL   4          HG22      VAL   4  10.546  -5.423   1.302
   30   HG23  VAL   4          HG23      VAL   4   8.911  -5.319   0.641
   31    H    GLU   5           H        GLU   5  12.847  -9.769  -0.031
   32    HA   GLU   5           HA       GLU   5  11.821 -11.527   1.837
   33    HB2  GLU   5           HB2      GLU   5  14.577 -10.983   0.688
   34    HB3  GLU   5           HB3      GLU   5  14.357 -12.247   1.885
   35    HG2  GLU   5           HG2      GLU   5  14.333 -13.070  -0.465
   36    HG3  GLU   5           HG3      GLU   5  12.944 -13.529   0.512
   37    H    ARG   6           H        ARG   6  14.138  -8.835   2.508
   38    HA   ARG   6           HA       ARG   6  14.750  -9.454   5.107
   39    HB2  ARG   6           HB2      ARG   6  15.831  -7.721   3.707
   40    HB3  ARG   6           HB3      ARG   6  14.360  -6.747   3.727
   41    HG2  ARG   6           HG2      ARG   6  16.119  -5.876   5.234
   42    HG3  ARG   6           HG3      ARG   6  14.629  -6.265   6.091
   43    HD2  ARG   6           HD2      ARG   6  15.675  -8.517   6.689
   44    HD3  ARG   6           HD3      ARG   6  17.155  -7.957   5.933
   45    HE   ARG   6           HE       ARG   6  17.598  -6.642   7.790
   46   HH11  ARG   6          HH11      ARG   6  14.190  -7.665   7.956
   47   HH12  ARG   6          HH12      ARG   6  13.907  -7.062   9.530
   48   HH21  ARG   6          HH21      ARG   6  17.261  -5.850   9.932
   49   HH22  ARG   6          HH22      ARG   6  15.732  -6.026  10.704
   50    H    ASP   7           H        ASP   7  11.613  -8.369   3.957
   51    HA   ASP   7           HA       ASP   7  10.883  -6.839   6.245
   52    HB2  ASP   7           HB2      ASP   7   9.990  -6.689   3.919
   53    HB3  ASP   7           HB3      ASP   7   9.090  -8.188   4.198
   54    H    GLU   8           H        GLU   8  11.458 -10.076   6.311
   55    HA   GLU   8           HA       GLU   8   9.213 -11.276   7.389
   56    HB2  GLU   8           HB2      GLU   8  10.714 -12.988   8.252
   57    HB3  GLU   8           HB3      GLU   8  11.167 -12.508   6.617
   58    HG2  GLU   8           HG2      GLU   8  13.012 -11.118   7.509
   59    HG3  GLU   8           HG3      GLU   8  12.545 -11.527   9.160
   60    H    THR   9           H        THR   9  11.381  -9.039   9.077
   61    HA   THR   9           HA       THR   9  10.614  -9.627  11.756
   62    HB   THR   9           HB       THR   9  11.134  -6.992  11.766
   63    HG1  THR   9           HG1      THR   9  11.378  -6.433   9.722
   64   HG21  THR   9          HG21      THR   9  13.268  -9.095  11.141
   65   HG22  THR   9          HG22      THR   9  13.554  -7.521  11.921
   66   HG23  THR   9          HG23      THR   9  12.605  -8.760  12.755
   67    H    ARG  10           H        ARG  10   9.102  -7.682   9.211
   68    HA   ARG  10           HA       ARG  10   6.948  -6.784  11.028
   69    HB2  ARG  10           HB2      ARG  10   7.377  -6.406   8.041
   70    HB3  ARG  10           HB3      ARG  10   5.848  -6.057   8.847
   71    HG2  ARG  10           HG2      ARG  10   7.124  -4.551  10.457
   72    HG3  ARG  10           HG3      ARG  10   8.535  -4.755   9.415
   73    HD2  ARG  10           HD2      ARG  10   7.388  -2.668   8.848
   74    HD3  ARG  10           HD3      ARG  10   7.272  -3.808   7.508
   75    HE   ARG  10           HE       ARG  10   5.040  -3.725   7.611
   76   HH11  ARG  10          HH11      ARG  10   6.182  -2.580  10.792
   77   HH12  ARG  10          HH12      ARG  10   4.602  -2.180  11.356
   78   HH21  ARG  10          HH21      ARG  10   2.966  -3.171   8.356
   79   HH22  ARG  10          HH22      ARG  10   2.750  -2.487   9.946
   80    H    GLU  11           H        GLU  11   7.446  -9.259   8.412
   81    HA   GLU  11           HA       GLU  11   4.767 -10.115   8.375
   82    HB2  GLU  11           HB2      GLU  11   7.246 -11.852   8.059
   83    HB3  GLU  11           HB3      GLU  11   5.599 -12.342   7.683
   84    HG2  GLU  11           HG2      GLU  11   5.427 -10.467   6.031
   85    HG3  GLU  11           HG3      GLU  11   7.128 -10.093   6.319
   86    H    HIS  12           H        HIS  12   7.376 -11.154  10.648
   87    HA   HIS  12           HA       HIS  12   5.792 -12.956  12.166
   88    HB2  HIS  12           HB2      HIS  12   8.233 -12.766  12.370
   89    HB3  HIS  12           HB3      HIS  12   8.084 -11.143  13.033
   90    HD1  HIS  12           HD1      HIS  12   5.567 -12.276  15.152
   91    HD2  HIS  12           HD2      HIS  12   9.580 -13.476  14.587
   92    HE1  HIS  12           HE1      HIS  12   6.318 -13.327  17.327
   93    H    ARG  13           H        ARG  13   6.367  -9.399  12.655
   94    HA   ARG  13           HA       ARG  13   4.800  -9.262  15.034
   95    HB2  ARG  13           HB2      ARG  13   5.611  -7.161  12.987
   96    HB3  ARG  13           HB3      ARG  13   4.757  -6.769  14.486
   97    HG2  ARG  13           HG2      ARG  13   6.535  -7.564  15.867
   98    HG3  ARG  13           HG3      ARG  13   7.353  -8.362  14.516
   99    HD2  ARG  13           HD2      ARG  13   7.885  -6.212  13.483
  100    HD3  ARG  13           HD3      ARG  13   6.928  -5.360  14.700
  101    HE   ARG  13           HE       ARG  13   8.699  -5.366  16.087
  102   HH11  ARG  13          HH11      ARG  13   9.247  -8.070  13.833
  103   HH12  ARG  13          HH12      ARG  13  10.764  -8.514  14.552
  104   HH21  ARG  13          HH21      ARG  13  10.738  -5.912  16.953
  105   HH22  ARG  13          HH22      ARG  13  11.657  -7.213  16.304
  106    H    ILE  14           H        ILE  14   3.900  -8.710  11.623
  107    HA   ILE  14           HA       ILE  14   1.192  -7.983  12.007
  108    HB   ILE  14           HB       ILE  14   2.746  -9.357   9.784
  109   HG12  ILE  14          HG12      ILE  14   1.469  -6.596   9.728
  110   HG13  ILE  14          HG13      ILE  14   3.063  -6.840  10.430
  111   HG21  ILE  14          HG21      ILE  14   0.489 -10.168   9.522
  112   HG22  ILE  14          HG22      ILE  14  -0.180  -8.524   9.687
  113   HG23  ILE  14          HG23      ILE  14   0.801  -8.970   8.275
  114   HD11  ILE  14          HD11      ILE  14   3.295  -6.088   8.141
  115   HD12  ILE  14          HD12      ILE  14   3.884  -7.753   8.264
  116   HD13  ILE  14          HD13      ILE  14   2.298  -7.430   7.547
  117    H    GLU  15           H        GLU  15   2.705 -11.234  11.480
  118    HA   GLU  15           HA       GLU  15   0.348 -12.698  11.644
  119    HB2  GLU  15           HB2      GLU  15   2.448 -13.585  10.800
  120    HB3  GLU  15           HB3      GLU  15   3.171 -13.530  12.415
  121    HG2  GLU  15           HG2      GLU  15   1.565 -15.183  13.237
  122    HG3  GLU  15           HG3      GLU  15   0.714 -15.173  11.687
  123    H    THR  16           H        THR  16   2.586 -11.881  14.410
  124    HA   THR  16           HA       THR  16   0.813 -13.345  16.182
  125    HB   THR  16           HB       THR  16   2.515 -12.583  17.920
  126    HG1  THR  16           HG1      THR  16   3.514 -10.861  16.986
  127   HG21  THR  16          HG21      THR  16   2.551 -14.783  16.740
  128   HG22  THR  16          HG22      THR  16   3.564 -14.067  15.466
  129   HG23  THR  16          HG23      THR  16   4.167 -14.191  17.135
  130    H    GLU  17           H        GLU  17   1.066  -9.966  15.337
  131    HA   GLU  17           HA       GLU  17  -0.639  -9.269  17.671
  132    HB2  GLU  17           HB2      GLU  17   1.090  -7.430  15.994
  133    HB3  GLU  17           HB3      GLU  17   0.253  -7.030  17.477
  134    HG2  GLU  17           HG2      GLU  17   2.591  -8.959  17.201
  135    HG3  GLU  17           HG3      GLU  17   2.628  -7.347  17.893
  136    H    ILE  18           H        ILE  18  -0.919  -9.419  14.191
  137    HA   ILE  18           HA       ILE  18  -3.218  -7.505  14.322
  138    HB   ILE  18           HB       ILE  18  -1.366  -7.975  11.965
  139   HG12  ILE  18          HG12      ILE  18  -1.378  -5.751  14.061
  140   HG13  ILE  18          HG13      ILE  18  -0.091  -6.924  13.777
  141   HG21  ILE  18          HG21      ILE  18  -2.463  -5.996  11.008
  142   HG22  ILE  18          HG22      ILE  18  -3.667  -7.215  11.372
  143   HG23  ILE  18          HG23      ILE  18  -3.474  -5.830  12.462
  144   HD11  ILE  18          HD11      ILE  18   0.632  -4.877  12.835
  145   HD12  ILE  18          HD12      ILE  18   0.221  -5.947  11.479
  146   HD13  ILE  18          HD13      ILE  18  -0.886  -4.646  11.959
  147    H    ILE  19           H        ILE  19  -2.049 -10.541  12.741
  148    HA   ILE  19           HA       ILE  19  -4.896 -11.135  12.047
  149    HB   ILE  19           HB       ILE  19  -4.037 -12.333  10.132
  150   HG12  ILE  19          HG12      ILE  19  -1.360 -11.058  10.798
  151   HG13  ILE  19          HG13      ILE  19  -1.759 -12.767  11.073
  152   HG21  ILE  19          HG21      ILE  19  -3.184  -9.411  10.147
  153   HG22  ILE  19          HG22      ILE  19  -3.729 -10.376   8.760
  154   HG23  ILE  19          HG23      ILE  19  -4.868  -9.976  10.035
  155   HD11  ILE  19          HD11      ILE  19  -0.567 -12.564   9.014
  156   HD12  ILE  19          HD12      ILE  19  -2.269 -12.980   8.673
  157   HD13  ILE  19          HD13      ILE  19  -1.691 -11.310   8.432
  158    H    VAL  20           H        VAL  20  -3.082 -11.966  14.480
  159    HA   VAL  20           HA       VAL  20  -2.357 -14.569  14.319
  160    HB   VAL  20           HB       VAL  20  -1.869 -12.973  16.128
  161   HG11  VAL  20          HG11      VAL  20  -4.549 -13.741  17.346
  162   HG12  VAL  20          HG12      VAL  20  -3.294 -12.718  18.070
  163   HG13  VAL  20          HG13      VAL  20  -4.157 -12.157  16.635
  164   HG21  VAL  20          HG21      VAL  20  -2.852 -15.656  17.161
  165   HG22  VAL  20          HG22      VAL  20  -1.292 -15.355  16.360
  166   HG23  VAL  20          HG23      VAL  20  -1.645 -14.595  17.921
  167    H    ASP  21           H        ASP  21  -5.714 -13.537  15.039
  168    HA   ASP  21           HA       ASP  21  -6.570 -16.355  15.331
  169    HB2  ASP  21           HB2      ASP  21  -7.292 -14.631  16.948
  170    HB3  ASP  21           HB3      ASP  21  -8.070 -13.730  15.646
  171    H    ALA  22           H        ALA  22  -6.041 -14.279  12.823
  172    HA   ALA  22           HA       ALA  22  -8.490 -14.785  11.277
  173    HB1  ALA  22           HB1      ALA  22  -7.557 -13.131   9.717
  174    HB2  ALA  22           HB2      ALA  22  -7.765 -12.446  11.342
  175    HB3  ALA  22           HB3      ALA  22  -6.152 -12.911  10.757
  176    H    GLU  23           H        GLU  23  -8.448 -16.151   9.730
  177    HA   GLU  23           HA       GLU  23  -6.190 -16.607   7.972
  178    HB2  GLU  23           HB2      GLU  23  -5.642 -18.723   8.289
  179    HB3  GLU  23           HB3      GLU  23  -5.902 -18.182   9.944
  180    HG2  GLU  23           HG2      GLU  23  -7.903 -19.818   8.359
  181    HG3  GLU  23           HG3      GLU  23  -6.641 -20.515   9.361
  182    H    ASP  24           H        ASP  24  -9.522 -16.849   8.704
  183    HA   ASP  24           HA       ASP  24 -10.392 -18.087   6.210
  184    HB2  ASP  24           HB2      ASP  24 -11.845 -16.388   8.288
  185    HB3  ASP  24           HB3      ASP  24 -12.603 -17.236   6.957
  186    H    LYS  25           H        LYS  25 -11.033 -16.767   4.374
  187    HA   LYS  25           HA       LYS  25  -9.265 -14.702   3.791
  188    HB2  LYS  25           HB2      LYS  25 -12.043 -14.816   2.540
  189    HB3  LYS  25           HB3      LYS  25 -10.550 -14.235   1.809
  190    HG2  LYS  25           HG2      LYS  25 -11.238 -17.101   2.488
  191    HG3  LYS  25           HG3      LYS  25 -11.315 -16.341   0.896
  192    HD2  LYS  25           HD2      LYS  25  -8.864 -15.955   0.918
  193    HD3  LYS  25           HD3      LYS  25  -8.760 -16.632   2.549
  194    HE2  LYS  25           HE2      LYS  25  -8.061 -18.350   1.068
  195    HE3  LYS  25           HE3      LYS  25  -9.654 -18.795   1.694
  196    HZ1  LYS  25           HZ1      LYS  25 -10.610 -18.062  -0.417
  197    HZ2  LYS  25           HZ2      LYS  25  -9.138 -17.622  -0.985
  198    HZ3  LYS  25           HZ3      LYS  25  -9.468 -19.188  -0.688
  199    H    GLU  26           H        GLU  26 -12.503 -14.462   5.138
  200    HA   GLU  26           HA       GLU  26 -12.826 -11.673   4.618
  201    HB2  GLU  26           HB2      GLU  26 -14.221 -13.553   6.584
  202    HB3  GLU  26           HB3      GLU  26 -14.743 -11.897   6.251
  203    HG2  GLU  26           HG2      GLU  26 -15.152 -12.457   3.891
  204    HG3  GLU  26           HG3      GLU  26 -14.552 -14.096   4.140
  205    H    GLU  27           H        GLU  27 -11.554 -13.649   7.363
  206    HA   GLU  27           HA       GLU  27 -11.390 -11.465   9.240
  207    HB2  GLU  27           HB2      GLU  27  -9.855 -14.076   9.121
  208    HB3  GLU  27           HB3      GLU  27 -10.019 -13.012  10.523
  209    HG2  GLU  27           HG2      GLU  27 -12.375 -13.499  10.719
  210    HG3  GLU  27           HG3      GLU  27 -12.356 -14.468   9.238
  211    H    ARG  28           H        ARG  28  -9.074 -13.177   7.037
  212    HA   ARG  28           HA       ARG  28  -6.779 -11.648   7.794
  213    HB2  ARG  28           HB2      ARG  28  -7.576 -13.058   5.203
  214    HB3  ARG  28           HB3      ARG  28  -6.052 -12.182   5.347
  215    HG2  ARG  28           HG2      ARG  28  -6.826 -14.356   7.314
  216    HG3  ARG  28           HG3      ARG  28  -5.997 -14.718   5.796
  217    HD2  ARG  28           HD2      ARG  28  -4.070 -13.400   6.400
  218    HD3  ARG  28           HD3      ARG  28  -4.900 -12.682   7.774
  219    HE   ARG  28           HE       ARG  28  -4.746 -14.655   9.017
  220   HH11  ARG  28          HH11      ARG  28  -3.018 -15.055   5.940
  221   HH12  ARG  28          HH12      ARG  28  -2.148 -16.447   6.481
  222   HH21  ARG  28          HH21      ARG  28  -3.739 -16.442   9.679
  223   HH22  ARG  28          HH22      ARG  28  -2.551 -17.266   8.709
  224    H    ALA  29           H        ALA  29  -9.176 -11.038   5.161
  225    HA   ALA  29           HA       ALA  29  -8.091  -8.597   4.306
  226    HB1  ALA  29           HB1      ALA  29 -10.364  -8.167   3.453
  227    HB2  ALA  29           HB2      ALA  29  -9.861  -9.838   3.127
  228    HB3  ALA  29           HB3      ALA  29 -11.003  -9.501   4.444
  229    H    MET  30           H        MET  30 -10.489  -9.219   6.969
  230    HA   MET  30           HA       MET  30 -10.785  -6.433   7.543
  231    HB2  MET  30           HB2      MET  30 -11.524  -8.944   9.058
  232    HB3  MET  30           HB3      MET  30 -11.807  -7.326   9.706
  233    HG2  MET  30           HG2      MET  30 -12.912  -8.357   7.063
  234    HG3  MET  30           HG3      MET  30 -13.796  -8.190   8.574
  235    HE1  MET  30           HE1      MET  30 -13.501  -6.549   5.173
  236    HE2  MET  30           HE2      MET  30 -12.911  -4.911   5.488
  237    HE3  MET  30           HE3      MET  30 -11.836  -6.304   5.724
  238    H    GLY  31           H        GLY  31  -8.566  -8.876   8.974
  239    HA2  GLY  31           HA2      GLY  31  -7.607  -7.267  11.094
  240    HA3  GLY  31           HA3      GLY  31  -6.698  -8.546  10.261
  241    H    TRP  32           H        TRP  32  -6.432  -7.599   7.690
  242    HA   TRP  32           HA       TRP  32  -4.466  -5.531   7.853
  243    HB2  TRP  32           HB2      TRP  32  -5.987  -6.828   5.578
  244    HB3  TRP  32           HB3      TRP  32  -4.984  -5.413   5.294
  245    HD1  TRP  32           HD1      TRP  32  -4.697  -9.107   5.854
  246    HE1  TRP  32           HE1      TRP  32  -2.248  -9.838   5.694
  247    HE3  TRP  32           HE3      TRP  32  -2.516  -4.507   5.772
  248    HZ2  TRP  32           HZ2      TRP  32   0.370  -8.552   5.786
  249    HZ3  TRP  32           HZ3      TRP  32  -0.045  -4.266   5.709
  250    HH2  TRP  32           HH2      TRP  32   1.402  -6.280   5.707
  251    H    TYR  33           H        TYR  33  -7.954  -5.389   6.890
  252    HA   TYR  33           HA       TYR  33  -7.931  -2.722   6.031
  253    HB2  TYR  33           HB2      TYR  33  -9.739  -4.244   5.502
  254    HB3  TYR  33           HB3      TYR  33 -10.091  -4.488   7.205
  255    HD1  TYR  33           HD2      TYR  33  -9.888  -1.652   4.746
  256    HD2  TYR  33           HD1      TYR  33 -11.934  -3.428   8.084
  257    HE1  TYR  33           HE2      TYR  33 -11.547   0.170   4.691
  258    HE2  TYR  33           HE1      TYR  33 -13.554  -1.564   8.106
  259    HH   TYR  33           HH       TYR  33 -13.586   0.919   5.494
  260    H    TYR  34           H        TYR  34  -8.642  -4.035   9.333
  261    HA   TYR  34           HA       TYR  34  -9.380  -1.503  10.433
  262    HB2  TYR  34           HB2      TYR  34  -8.240  -3.975  11.795
  263    HB3  TYR  34           HB3      TYR  34  -9.053  -2.642  12.600
  264    HD1  TYR  34           HD1      TYR  34 -11.272  -2.621  10.116
  265    HD2  TYR  34           HD2      TYR  34  -9.752  -5.502  12.950
  266    HE1  TYR  34           HE1      TYR  34 -13.434  -3.813  10.064
  267    HE2  TYR  34           HE2      TYR  34 -11.907  -6.710  12.889
  268    HH   TYR  34           HH       TYR  34 -14.067  -6.769  12.009
  269    H    TYR  35           H        TYR  35  -6.245  -3.285  10.333
  270    HA   TYR  35           HA       TYR  35  -4.840  -1.332  11.923
  271    HB2  TYR  35           HB2      TYR  35  -4.039  -3.617  11.699
  272    HB3  TYR  35           HB3      TYR  35  -3.998  -3.501   9.946
  273    HD1  TYR  35           HD2      TYR  35  -2.493  -1.822  12.978
  274    HD2  TYR  35           HD1      TYR  35  -1.939  -3.132   8.900
  275    HE1  TYR  35           HE2      TYR  35  -0.107  -1.186  13.103
  276    HE2  TYR  35           HE1      TYR  35   0.445  -2.497   9.012
  277    HH   TYR  35           HH       TYR  35   1.920  -1.080  11.979
  278    H    LEU  36           H        LEU  36  -5.319  -1.706   8.350
  279    HA   LEU  36           HA       LEU  36  -3.529   0.409   7.676
  280    HB2  LEU  36           HB2      LEU  36  -5.589  -1.215   6.246
  281    HB3  LEU  36           HB3      LEU  36  -5.354   0.411   5.631
  282    HG   LEU  36           HG       LEU  36  -3.028   0.109   5.238
  283   HD11  LEU  36          HD11      LEU  36  -3.283  -2.593   6.600
  284   HD12  LEU  36          HD12      LEU  36  -1.903  -2.126   5.569
  285   HD13  LEU  36          HD13      LEU  36  -2.226  -1.248   7.061
  286   HD21  LEU  36          HD21      LEU  36  -3.155  -1.622   3.503
  287   HD22  LEU  36          HD22      LEU  36  -4.512  -2.407   4.334
  288   HD23  LEU  36          HD23      LEU  36  -4.725  -0.809   3.599
  289    H    ASP  37           H        ASP  37  -7.183   0.399   8.111
  290    HA   ASP  37           HA       ASP  37  -7.397   3.220   7.785
  291    HB2  ASP  37           HB2      ASP  37  -9.472   1.951   8.162
  292    HB3  ASP  37           HB3      ASP  37  -8.917   1.424   9.742
  293    H    ASP  38           H        ASP  38  -6.574   1.275  10.788
  294    HA   ASP  38           HA       ASP  38  -6.784   3.687  12.041
  295    HB2  ASP  38           HB2      ASP  38  -6.982   1.578  13.280
  296    HB3  ASP  38           HB3      ASP  38  -5.212   1.570  13.420
  297    H    THR  39           H        THR  39  -4.138   2.508  10.277
  298    HA   THR  39           HA       THR  39  -2.092   4.158  11.618
  299    HB   THR  39           HB       THR  39  -2.036   2.543   9.031
  300    HG1  THR  39           HG1      THR  39  -2.454   1.150  10.678
  301   HG21  THR  39          HG21      THR  39   0.228   3.413  10.876
  302   HG22  THR  39          HG22      THR  39   0.384   2.628   9.290
  303   HG23  THR  39          HG23      THR  39  -0.249   4.288   9.410
  304    H    LEU  40           H        LEU  40  -3.953   4.104   8.546
  305    HA   LEU  40           HA       LEU  40  -2.993   6.535   7.439
  306    HB2  LEU  40           HB2      LEU  40  -5.709   5.219   7.169
  307    HB3  LEU  40           HB3      LEU  40  -5.078   6.472   6.106
  308    HG   LEU  40           HG       LEU  40  -3.687   3.786   6.399
  309   HD11  LEU  40          HD11      LEU  40  -5.834   4.551   4.361
  310   HD12  LEU  40          HD12      LEU  40  -4.918   3.027   4.402
  311   HD13  LEU  40          HD13      LEU  40  -6.043   3.410   5.706
  312   HD21  LEU  40          HD21      LEU  40  -3.608   5.804   4.143
  313   HD22  LEU  40          HD22      LEU  40  -2.307   5.425   5.304
  314   HD23  LEU  40          HD23      LEU  40  -2.843   4.208   4.153
  315    H    GLU  41           H        GLU  41  -3.656   8.640   7.709
  316    HA   GLU  41           HA       GLU  41  -5.969   9.268   9.484
  317    HB2  GLU  41           HB2      GLU  41  -3.251  10.612   9.256
  318    HB3  GLU  41           HB3      GLU  41  -4.635  11.344  10.074
  319    HG2  GLU  41           HG2      GLU  41  -3.455   8.644  10.840
  320    HG3  GLU  41           HG3      GLU  41  -3.008  10.170  11.587
  321    H    PHE  42           H        PHE  42  -6.607   8.740   7.052
  322    HA   PHE  42           HA       PHE  42  -6.611  10.847   5.130
  323    HB2  PHE  42           HB2      PHE  42  -8.534   9.545   4.200
  324    HB3  PHE  42           HB3      PHE  42  -7.106   8.600   4.499
  325    HD1  PHE  42           HD1      PHE  42 -10.391   9.534   6.131
  326    HD2  PHE  42           HD2      PHE  42  -7.360   6.512   5.543
  327    HE1  PHE  42           HE1      PHE  42 -11.818   7.873   7.275
  328    HE2  PHE  42           HE2      PHE  42  -8.798   4.859   6.700
  329    HZ   PHE  42           HZ       PHE  42 -11.039   5.531   7.544
  330    HA   PRO  43           HA       PRO  43  -8.849  11.474   3.547
  331    HB2  PRO  43           HB2      PRO  43  -9.405  14.053   2.840
  332    HB3  PRO  43           HB3      PRO  43 -10.656  12.888   3.356
  333    HG2  PRO  43           HG2      PRO  43  -9.281  14.987   5.051
  334    HG3  PRO  43           HG3      PRO  43 -11.038  14.650   4.906
  335    HD2  PRO  43           HD2      PRO  43  -9.569  13.627   6.944
  336    HD3  PRO  43           HD3      PRO  43 -10.851  12.654   6.167
  337    H    PHE  44           H        PHE  44  -7.280  12.080   1.938
  338    HA   PHE  44           HA       PHE  44  -5.284  14.102   2.604
  339    HB2  PHE  44           HB2      PHE  44  -3.351  12.651   2.399
  340    HB3  PHE  44           HB3      PHE  44  -4.313  12.216   3.792
  341    HD1  PHE  44           HD1      PHE  44  -3.541  11.210   0.274
  342    HD2  PHE  44           HD2      PHE  44  -4.934   9.921   4.124
  343    HE1  PHE  44           HE1      PHE  44  -3.393   8.886  -0.486
  344    HE2  PHE  44           HE2      PHE  44  -4.845   7.570   3.359
  345    HZ   PHE  44           HZ       PHE  44  -4.058   7.027   1.060
  346    H    MET  45           H        MET  45  -3.767  14.427   0.692
  347    HA   MET  45           HA       MET  45  -5.298  14.060  -1.820
  348    HB2  MET  45           HB2      MET  45  -4.316  16.286  -1.231
  349    HB3  MET  45           HB3      MET  45  -2.706  15.551  -1.153
  350    HG2  MET  45           HG2      MET  45  -2.942  14.917  -3.572
  351    HG3  MET  45           HG3      MET  45  -4.477  15.785  -3.611
  352    HE1  MET  45           HE1      MET  45  -1.922  17.858  -5.753
  353    HE2  MET  45           HE2      MET  45  -2.153  16.098  -5.576
  354    HE3  MET  45           HE3      MET  45  -3.562  17.171  -5.705
  355    H    GLY  46           H        GLY  46  -4.483  12.735  -3.579
  356    HA2  GLY  46           HA2      GLY  46  -1.801  11.621  -3.316
  357    HA3  GLY  46           HA3      GLY  46  -3.113  10.434  -3.239
  358    H    LYS  47           H        LYS  47  -1.345  10.195  -5.186
  359    HA   LYS  47           HA       LYS  47  -2.724  11.174  -7.639
  360    HB2  LYS  47           HB2      LYS  47  -0.085  11.319  -7.362
  361    HB3  LYS  47           HB3      LYS  47  -0.120   9.577  -7.547
  362    HG2  LYS  47           HG2      LYS  47   0.275  10.405  -9.726
  363    HG3  LYS  47           HG3      LYS  47  -1.417   9.945  -9.731
  364    HD2  LYS  47           HD2      LYS  47  -1.248  12.070 -10.849
  365    HD3  LYS  47           HD3      LYS  47  -2.050  12.348  -9.325
  366    HE2  LYS  47           HE2      LYS  47  -0.465  14.118  -9.892
  367    HE3  LYS  47           HE3      LYS  47  -0.039  13.343  -8.366
  368    HZ1  LYS  47           HZ1      LYS  47   1.765  12.252  -9.408
  369    HZ2  LYS  47           HZ2      LYS  47   1.237  12.539 -10.924
  370    HZ3  LYS  47           HZ3      LYS  47   1.826  13.769 -10.001
  371    H    TRP  48           H        TRP  48  -4.105   9.741  -8.547
  372    HA   TRP  48           HA       TRP  48  -4.147   6.917  -7.653
  373    HB2  TRP  48           HB2      TRP  48  -6.276   8.220  -7.979
  374    HB3  TRP  48           HB3      TRP  48  -5.857   8.431  -9.667
  375    HD1  TRP  48           HD1      TRP  48  -4.888   5.030  -8.986
  376    HE1  TRP  48           HE1      TRP  48  -6.629   3.309  -9.456
  377    HE3  TRP  48           HE3      TRP  48  -8.870   8.190  -9.458
  378    HZ2  TRP  48           HZ2      TRP  48  -9.521   3.294 -10.083
  379    HZ3  TRP  48           HZ3      TRP  48 -11.116   7.294 -10.008
  380    HH2  TRP  48           HH2      TRP  48 -11.452   4.849 -10.307
  381    H    LYS  49           H        LYS  49  -2.485   5.769  -8.616
  382    HA   LYS  49           HA       LYS  49  -1.522   6.495 -11.324
  383    HB2  LYS  49           HB2      LYS  49  -0.383   4.929  -8.971
  384    HB3  LYS  49           HB3      LYS  49   0.295   4.796 -10.599
  385    HG2  LYS  49           HG2      LYS  49   0.810   7.147 -10.699
  386    HG3  LYS  49           HG3      LYS  49  -0.104   7.491  -9.231
  387    HD2  LYS  49           HD2      LYS  49   2.306   7.570  -8.850
  388    HD3  LYS  49           HD3      LYS  49   1.509   6.349  -7.850
  389    HE2  LYS  49           HE2      LYS  49   2.318   4.549  -9.225
  390    HE3  LYS  49           HE3      LYS  49   2.901   5.666 -10.471
  391    HZ1  LYS  49           HZ1      LYS  49   4.645   4.788  -8.942
  392    HZ2  LYS  49           HZ2      LYS  49   4.598   6.415  -9.010
  393    HZ3  LYS  49           HZ3      LYS  49   3.983   5.649  -7.705
  394    H    LYS  50           H        LYS  50  -3.682   5.805 -12.002
  395    HA   LYS  50           HA       LYS  50  -4.660   3.125 -11.421
  396    HB2  LYS  50           HB2      LYS  50  -6.005   5.244 -12.056
  397    HB3  LYS  50           HB3      LYS  50  -5.481   4.963 -13.718
  398    HG2  LYS  50           HG2      LYS  50  -6.573   2.716 -13.660
  399    HG3  LYS  50           HG3      LYS  50  -7.084   3.017 -11.993
  400    HD2  LYS  50           HD2      LYS  50  -8.390   4.989 -12.750
  401    HD3  LYS  50           HD3      LYS  50  -7.864   4.693 -14.422
  402    HE2  LYS  50           HE2      LYS  50  -8.940   2.449 -14.355
  403    HE3  LYS  50           HE3      LYS  50  -9.479   2.756 -12.699
  404    HZ1  LYS  50           HZ1      LYS  50 -10.317   4.311 -15.080
  405    HZ2  LYS  50           HZ2      LYS  50 -11.227   3.213 -14.295
  406    HZ3  LYS  50           HZ3      LYS  50 -10.814   4.601 -13.547
  407    H    LYS  51           H        LYS  51  -4.345   1.183 -12.748
  408    HA   LYS  51           HA       LYS  51  -2.318   1.170 -14.732
  409    HB2  LYS  51           HB2      LYS  51  -3.423  -0.860 -13.582
  410    HB3  LYS  51           HB3      LYS  51  -4.755  -0.660 -14.734
  411    HG2  LYS  51           HG2      LYS  51  -2.956  -0.808 -16.594
  412    HG3  LYS  51           HG3      LYS  51  -1.812  -1.220 -15.325
  413    HD2  LYS  51           HD2      LYS  51  -2.530  -3.262 -16.349
  414    HD3  LYS  51           HD3      LYS  51  -3.219  -3.202 -14.734
  415    HE2  LYS  51           HE2      LYS  51  -4.825  -4.073 -16.355
  416    HE3  LYS  51           HE3      LYS  51  -5.421  -2.571 -15.651
  417    HZ1  LYS  51           HZ1      LYS  51  -4.014  -2.609 -18.260
  418    HZ2  LYS  51           HZ2      LYS  51  -5.642  -2.829 -18.136
  419    HZ3  LYS  51           HZ3      LYS  51  -4.949  -1.424 -17.671
  420    H    SER  52           H        SER  52  -2.383   1.540 -16.988
  421    HA   SER  52           HA       SER  52  -4.243   3.323 -18.088
  422    HB2  SER  52           HB2      SER  52  -2.445   1.256 -19.406
  423    HB3  SER  52           HB3      SER  52  -3.225   2.609 -20.257
  424    HG   SER  52           HG       SER  52  -1.011   2.878 -19.495
  425    H    ARG  53           H        ARG  53  -5.884   3.067 -19.635
  426    HA   ARG  53           HA       ARG  53  -7.835   1.242 -18.855
  427    HB2  ARG  53           HB2      ARG  53  -8.119   3.510 -19.904
  428    HB3  ARG  53           HB3      ARG  53  -7.685   2.808 -21.469
  429    HG2  ARG  53           HG2      ARG  53  -9.673   1.313 -21.354
  430    HG3  ARG  53           HG3      ARG  53 -10.055   1.944 -19.746
  431    HD2  ARG  53           HD2      ARG  53 -11.494   3.025 -21.369
  432    HD3  ARG  53           HD3      ARG  53 -10.369   4.209 -20.715
  433    HE   ARG  53           HE       ARG  53  -9.396   4.478 -22.771
  434   HH11  ARG  53          HH11      ARG  53 -11.512   1.629 -22.945
  435   HH12  ARG  53          HH12      ARG  53 -11.404   1.477 -24.658
  436   HH21  ARG  53          HH21      ARG  53  -9.265   4.286 -25.052
  437   HH22  ARG  53          HH22      ARG  53 -10.109   3.034 -25.881
  438    H    LYS  54           H        LYS  54  -5.471   0.875 -21.480
  439    HA   LYS  54           HA       LYS  54  -6.641  -1.789 -22.128
  440    HB2  LYS  54           HB2      LYS  54  -6.457  -1.292 -24.509
  441    HB3  LYS  54           HB3      LYS  54  -7.536  -0.160 -23.703
  442    HG2  LYS  54           HG2      LYS  54  -5.783   1.580 -23.708
  443    HG3  LYS  54           HG3      LYS  54  -4.631   0.442 -24.430
  444    HD2  LYS  54           HD2      LYS  54  -6.088   0.238 -26.430
  445    HD3  LYS  54           HD3      LYS  54  -7.223   1.406 -25.714
  446    HE2  LYS  54           HE2      LYS  54  -5.435   3.121 -25.659
  447    HE3  LYS  54           HE3      LYS  54  -4.279   1.958 -26.318
  448    HZ1  LYS  54           HZ1      LYS  54  -5.154   3.400 -28.038
  449    HZ2  LYS  54           HZ2      LYS  54  -5.613   1.868 -28.341
  450    HZ3  LYS  54           HZ3      LYS  54  -6.688   2.943 -27.738
  451    H    THR  55           H        THR  55  -3.986  -0.615 -20.784
  452    HA   THR  55           HA       THR  55  -2.162  -2.537 -22.075
  453    HB   THR  55           HB       THR  55  -0.400  -0.599 -21.938
  454    HG1  THR  55           HG1      THR  55  -1.198   1.218 -21.399
  455   HG21  THR  55          HG21      THR  55  -0.789   0.093 -24.219
  456   HG22  THR  55          HG22      THR  55  -1.149  -1.635 -24.071
  457   HG23  THR  55          HG23      THR  55  -2.475  -0.454 -24.160
  458    H    SER  56           H        SER  56  -0.083  -2.661 -20.693
  459    HA   SER  56           HA       SER  56  -0.834  -2.924 -17.904
  460    HB2  SER  56           HB2      SER  56   1.858  -3.374 -19.247
  461    HB3  SER  56           HB3      SER  56   1.298  -4.049 -17.706
  462    HG   SER  56           HG       SER  56   1.117  -5.544 -19.438
  463    H    THR  57           H        THR  57   0.090  -0.187 -19.561
  464    HA   THR  57           HA       THR  57   2.151   0.877 -17.851
  465    HB   THR  57           HB       THR  57   1.524   2.959 -19.268
  466    HG1  THR  57           HG1      THR  57   0.359   2.461 -21.134
  467   HG21  THR  57          HG21      THR  57   2.370   0.401 -20.704
  468   HG22  THR  57          HG22      THR  57   2.675   2.068 -21.238
  469   HG23  THR  57          HG23      THR  57   3.442   1.463 -19.763
  470    H    ILE  58           H        ILE  58   1.366   3.450 -17.305
  471    HA   ILE  58           HA       ILE  58  -0.835   3.160 -15.303
  472    HB   ILE  58           HB       ILE  58   1.912   4.414 -15.049
  473   HG12  ILE  58          HG12      ILE  58   1.801   1.947 -14.655
  474   HG13  ILE  58          HG13      ILE  58   2.347   2.881 -13.276
  475   HG21  ILE  58          HG21      ILE  58   0.416   5.971 -13.988
  476   HG22  ILE  58          HG22      ILE  58  -0.431   4.665 -13.137
  477   HG23  ILE  58          HG23      ILE  58   1.258   5.067 -12.733
  478   HD11  ILE  58          HD11      ILE  58   0.209   2.585 -12.149
  479   HD12  ILE  58          HD12      ILE  58  -0.480   1.783 -13.581
  480   HD13  ILE  58          HD13      ILE  58   0.830   1.016 -12.671
  481    H    GLU  59           H        GLU  59  -2.154   4.886 -15.113
  482    HA   GLU  59           HA       GLU  59  -1.871   7.208 -16.928
  483    HB2  GLU  59           HB2      GLU  59  -3.364   5.473 -17.896
  484    HB3  GLU  59           HB3      GLU  59  -4.292   5.417 -16.398
  485    HG2  GLU  59           HG2      GLU  59  -5.512   6.695 -18.012
  486    HG3  GLU  59           HG3      GLU  59  -4.955   7.801 -16.753
  487    H    GLU  60           H        GLU  60  -1.691   8.900 -15.558
  488    HA   GLU  60           HA       GLU  60  -2.259   8.564 -12.713
  489    HB2  GLU  60           HB2      GLU  60  -0.981  10.721 -14.440
  490    HB3  GLU  60           HB3      GLU  60  -1.308  10.962 -12.726
  491    HG2  GLU  60           HG2      GLU  60   0.097   9.054 -12.121
  492    HG3  GLU  60           HG3      GLU  60   0.395   8.694 -13.825
  493    H    LYS  61           H        LYS  61  -3.726   9.769 -11.457
  494    HA   LYS  61           HA       LYS  61  -5.222  11.985 -12.743
  495    HB2  LYS  61           HB2      LYS  61  -6.599   9.852 -12.952
  496    HB3  LYS  61           HB3      LYS  61  -6.602   9.746 -11.191
  497    HG2  LYS  61           HG2      LYS  61  -7.652  12.074 -11.154
  498    HG3  LYS  61           HG3      LYS  61  -7.821  11.944 -12.906
  499    HD2  LYS  61           HD2      LYS  61  -9.101  10.223 -10.748
  500    HD3  LYS  61           HD3      LYS  61  -9.921  11.330 -11.836
  501    HE2  LYS  61           HE2      LYS  61  -8.530   8.730 -12.650
  502    HE3  LYS  61           HE3      LYS  61 -10.261   8.929 -12.402
  503    HZ1  LYS  61           HZ1      LYS  61 -10.301  10.516 -14.239
  504    HZ2  LYS  61           HZ2      LYS  61  -8.696  10.332 -14.498
  505    HZ3  LYS  61           HZ3      LYS  61  -9.712   9.084 -14.737
  506    H    THR  62           H        THR  62  -5.164  13.697 -11.245
  507    HA   THR  62           HA       THR  62  -3.963  13.165  -8.621
  508    HB   THR  62           HB       THR  62  -4.920  15.798  -9.808
  509    HG1  THR  62           HG1      THR  62  -2.936  15.953 -10.760
  510   HG21  THR  62          HG21      THR  62  -3.146  16.743  -8.375
  511   HG22  THR  62          HG22      THR  62  -4.307  15.821  -7.406
  512   HG23  THR  62          HG23      THR  62  -2.724  15.112  -7.796
  513    H    VAL  63           H        VAL  63  -5.167  12.889  -6.737
  514    HA   VAL  63           HA       VAL  63  -8.033  13.619  -6.844
  515    HB   VAL  63           HB       VAL  63  -8.638  11.419  -6.022
  516   HG11  VAL  63          HG11      VAL  63  -7.080  11.077  -8.609
  517   HG12  VAL  63          HG12      VAL  63  -8.463  10.127  -8.038
  518   HG13  VAL  63          HG13      VAL  63  -8.684  11.823  -8.478
  519   HG21  VAL  63          HG21      VAL  63  -6.495  10.724  -4.950
  520   HG22  VAL  63          HG22      VAL  63  -7.138   9.504  -6.051
  521   HG23  VAL  63          HG23      VAL  63  -5.774  10.519  -6.560
  522    H    GLU  64           H        GLU  64  -9.075  13.642  -4.862
  523    HA   GLU  64           HA       GLU  64  -7.346  13.869  -2.420
  524    HB2  GLU  64           HB2      GLU  64  -8.634  15.930  -2.976
  525    HB3  GLU  64           HB3      GLU  64 -10.135  15.000  -2.952
  526    HG2  GLU  64           HG2      GLU  64  -9.801  14.464  -0.569
  527    HG3  GLU  64           HG3      GLU  64  -8.209  15.223  -0.592
  528    H    VAL  65           H        VAL  65  -7.491  12.050  -1.154
  529    HA   VAL  65           HA       VAL  65  -9.630  10.107  -1.707
  530    HB   VAL  65           HB       VAL  65  -8.501   8.510  -0.632
  531   HG11  VAL  65          HG11      VAL  65  -7.155   9.329  -2.598
  532   HG12  VAL  65          HG12      VAL  65  -6.109  10.198  -1.456
  533   HG13  VAL  65          HG13      VAL  65  -6.219   8.430  -1.392
  534   HG21  VAL  65          HG21      VAL  65  -6.767   8.614   1.009
  535   HG22  VAL  65          HG22      VAL  65  -6.825  10.385   1.008
  536   HG23  VAL  65          HG23      VAL  65  -8.219   9.423   1.573
  537    H    LEU  66           H        LEU  66 -11.385   9.858  -0.415
  538    HA   LEU  66           HA       LEU  66 -11.723  11.850   1.748
  539    HB2  LEU  66           HB2      LEU  66 -13.709   9.863   0.577
  540    HB3  LEU  66           HB3      LEU  66 -14.047  11.116   1.754
  541    HG   LEU  66           HG       LEU  66 -14.839  12.032  -0.197
  542   HD11  LEU  66          HD11      LEU  66 -13.479  13.957  -0.753
  543   HD12  LEU  66          HD12      LEU  66 -13.297  13.621   0.978
  544   HD13  LEU  66          HD13      LEU  66 -12.006  13.170  -0.159
  545   HD21  LEU  66          HD21      LEU  66 -13.832  10.351  -1.754
  546   HD22  LEU  66          HD22      LEU  66 -13.859  12.008  -2.369
  547   HD23  LEU  66          HD23      LEU  66 -12.343  11.326  -1.776
  548    H    GLY  67           H        GLY  67 -11.166   8.374   1.348
  549    HA2  GLY  67           HA2      GLY  67 -10.099   7.819   3.712
  550    HA3  GLY  67           HA3      GLY  67 -11.838   7.673   4.077
  551    H    MET  68           H        MET  68 -10.641   5.423   4.388
  552    HA   MET  68           HA       MET  68 -10.426   3.748   2.025
  553    HB2  MET  68           HB2      MET  68 -10.922   2.987   4.920
  554    HB3  MET  68           HB3      MET  68 -10.698   1.859   3.570
  555    HG2  MET  68           HG2      MET  68  -8.463   2.880   3.105
  556    HG3  MET  68           HG3      MET  68  -8.661   3.881   4.543
  557    HE1  MET  68           HE1      MET  68  -9.050   0.074   3.442
  558    HE2  MET  68           HE2      MET  68  -7.366   0.549   3.122
  559    HE3  MET  68           HE3      MET  68  -7.728  -0.638   4.398
  560    H    ALA  69           H        ALA  69 -11.941   2.257   1.256
  561    HA   ALA  69           HA       ALA  69 -14.683   3.146   1.153
  562    HB1  ALA  69           HB1      ALA  69 -15.000   1.113  -0.200
  563    HB2  ALA  69           HB2      ALA  69 -13.511   1.927  -0.688
  564    HB3  ALA  69           HB3      ALA  69 -13.445   0.480   0.347
  565    HA   PRO  70           HA       PRO  70 -16.590   0.996   4.585
  566    HB2  PRO  70           HB2      PRO  70 -18.202  -0.560   2.549
  567    HB3  PRO  70           HB3      PRO  70 -18.764   0.241   4.051
  568    HG2  PRO  70           HG2      PRO  70 -19.142   1.447   1.660
  569    HG3  PRO  70           HG3      PRO  70 -18.550   2.411   3.054
  570    HD2  PRO  70           HD2      PRO  70 -16.959   1.230   0.772
  571    HD3  PRO  70           HD3      PRO  70 -16.844   2.864   1.497
  572    H    ASP  71           H        ASP  71 -16.589  -1.006   5.715
  573    HA   ASP  71           HA       ASP  71 -14.476  -2.758   5.207
  574    HB2  ASP  71           HB2      ASP  71 -15.162  -3.950   7.076
  575    HB3  ASP  71           HB3      ASP  71 -15.714  -2.319   7.409
  576    H    ASP  72           H        ASP  72 -17.904  -3.040   4.296
  577    HA   ASP  72           HA       ASP  72 -17.901  -5.737   3.441
  578    HB2  ASP  72           HB2      ASP  72 -19.943  -4.433   3.825
  579    HB3  ASP  72           HB3      ASP  72 -19.534  -3.352   2.490
  580    H    GLU  73           H        GLU  73 -16.632  -2.850   1.894
  581    HA   GLU  73           HA       GLU  73 -16.347  -4.231  -0.723
  582    HB2  GLU  73           HB2      GLU  73 -15.887  -1.336   0.119
  583    HB3  GLU  73           HB3      GLU  73 -15.515  -1.997  -1.478
  584    HG2  GLU  73           HG2      GLU  73 -17.934  -2.742  -1.658
  585    HG3  GLU  73           HG3      GLU  73 -18.263  -1.853  -0.169
  586    H    CYS  74           H        CYS  74 -14.611  -3.803   2.215
  587    HA   CYS  74           HA       CYS  74 -11.987  -3.902   0.829
  588    HB2  CYS  74           HB2      CYS  74 -12.659  -3.128   3.687
  589    HB3  CYS  74           HB3      CYS  74 -11.024  -3.270   3.010
  590    HG   CYS  74           HG       CYS  74 -13.521  -1.294   2.204
  591    H    LEU  75           H        LEU  75 -14.084  -6.063   1.373
  592    HA   LEU  75           HA       LEU  75 -12.952  -7.796   3.349
  593    HB2  LEU  75           HB2      LEU  75 -15.426  -7.265   2.611
  594    HB3  LEU  75           HB3      LEU  75 -15.119  -8.406   1.304
  595    HG   LEU  75           HG       LEU  75 -14.658 -10.165   3.018
  596   HD11  LEU  75          HD11      LEU  75 -15.365  -7.923   4.954
  597   HD12  LEU  75          HD12      LEU  75 -15.411  -9.647   5.400
  598   HD13  LEU  75          HD13      LEU  75 -13.882  -8.906   4.930
  599   HD21  LEU  75          HD21      LEU  75 -17.019 -10.388   3.734
  600   HD22  LEU  75          HD22      LEU  75 -17.299  -8.678   3.323
  601   HD23  LEU  75          HD23      LEU  75 -16.904  -9.850   2.050
  602    H    LYS  76           H        LYS  76 -12.055  -7.217   0.183
  603    HA   LYS  76           HA       LYS  76 -10.885  -9.934  -0.139
  604    HB2  LYS  76           HB2      LYS  76 -12.239  -8.297  -2.323
  605    HB3  LYS  76           HB3      LYS  76 -11.368  -9.817  -2.556
  606    HG2  LYS  76           HG2      LYS  76 -13.008 -10.970  -1.059
  607    HG3  LYS  76           HG3      LYS  76 -13.920  -9.451  -0.927
  608    HD2  LYS  76           HD2      LYS  76 -14.263  -9.438  -3.383
  609    HD3  LYS  76           HD3      LYS  76 -13.368 -10.970  -3.513
  610    HE2  LYS  76           HE2      LYS  76 -15.034 -12.062  -2.022
  611    HE3  LYS  76           HE3      LYS  76 -15.924 -10.540  -1.895
  612    HZ1  LYS  76           HZ1      LYS  76 -15.516 -12.069  -4.401
  613    HZ2  LYS  76           HZ2      LYS  76 -16.900 -11.999  -3.547
  614    HZ3  LYS  76           HZ3      LYS  76 -16.340 -10.661  -4.285
  615    H    ASP  77           H        ASP  77 -10.579  -6.435  -0.592
  616    HA   ASP  77           HA       ASP  77  -7.722  -6.554  -0.915
  617    HB2  ASP  77           HB2      ASP  77  -8.500  -7.048  -3.251
  618    HB3  ASP  77           HB3      ASP  77  -9.448  -5.569  -3.228
  619    H    MET  78           H        MET  78  -7.025  -4.076  -1.118
  620    HA   MET  78           HA       MET  78  -8.740  -2.645   0.862
  621    HB2  MET  78           HB2      MET  78  -5.853  -2.217  -0.008
  622    HB3  MET  78           HB3      MET  78  -6.698  -1.265   1.216
  623    HG2  MET  78           HG2      MET  78  -6.134  -4.251   1.380
  624    HG3  MET  78           HG3      MET  78  -5.212  -2.985   2.161
  625    HE1  MET  78           HE1      MET  78  -8.862  -4.708   2.080
  626    HE2  MET  78           HE2      MET  78  -7.495  -5.688   2.666
  627    HE3  MET  78           HE3      MET  78  -8.780  -5.193   3.779
  628    H    TYR  79           H        TYR  79  -9.805  -0.778   0.340
  629    HA   TYR  79           HA       TYR  79  -9.206   0.560  -2.251
  630    HB2  TYR  79           HB2      TYR  79 -11.945  -0.276  -1.231
  631    HB3  TYR  79           HB3      TYR  79 -11.649   0.707  -2.647
  632    HD1  TYR  79           HD2      TYR  79 -10.809  -0.296  -4.755
  633    HD2  TYR  79           HD1      TYR  79 -11.611  -2.679  -1.254
  634    HE1  TYR  79           HE2      TYR  79 -10.874  -2.343  -6.161
  635    HE2  TYR  79           HE1      TYR  79 -11.689  -4.712  -2.631
  636    HH   TYR  79           HH       TYR  79 -11.496  -5.611  -4.769
  637    H    VAL  80           H        VAL  80 -10.111   2.664  -2.445
  638    HA   VAL  80           HA       VAL  80 -10.767   4.098   0.053
  639    HB   VAL  80           HB       VAL  80  -9.114   5.891  -0.765
  640   HG11  VAL  80          HG11      VAL  80  -8.687   4.725   1.288
  641   HG12  VAL  80          HG12      VAL  80  -8.020   3.312   0.427
  642   HG13  VAL  80          HG13      VAL  80  -7.176   4.877   0.404
  643   HG21  VAL  80          HG21      VAL  80  -8.579   4.872  -2.976
  644   HG22  VAL  80          HG22      VAL  80  -7.140   5.171  -1.991
  645   HG23  VAL  80          HG23      VAL  80  -7.772   3.519  -2.153
  646    H    GLU  81           H        GLU  81 -12.003   5.897  -0.283
  647    HA   GLU  81           HA       GLU  81 -13.347   6.124  -2.922
  648    HB2  GLU  81           HB2      GLU  81 -13.880   7.411  -0.201
  649    HB3  GLU  81           HB3      GLU  81 -14.782   7.766  -1.683
  650    HG2  GLU  81           HG2      GLU  81 -15.424   5.353  -1.848
  651    HG3  GLU  81           HG3      GLU  81 -14.606   5.044  -0.315
  652    H    VAL  82           H        VAL  82 -12.904   7.907  -4.244
  653    HA   VAL  82           HA       VAL  82 -11.045   9.976  -3.222
  654    HB   VAL  82           HB       VAL  82  -9.493   9.665  -5.000
  655   HG11  VAL  82          HG11      VAL  82  -9.944   6.877  -3.886
  656   HG12  VAL  82          HG12      VAL  82  -8.426   7.596  -4.445
  657   HG13  VAL  82          HG13      VAL  82  -9.201   8.203  -2.976
  658   HG21  VAL  82          HG21      VAL  82 -11.188   7.350  -6.028
  659   HG22  VAL  82          HG22      VAL  82 -10.908   8.905  -6.847
  660   HG23  VAL  82          HG23      VAL  82  -9.568   7.785  -6.612
  661    H    ALA  83           H        ALA  83 -11.110  11.962  -4.382
  662    HA   ALA  83           HA       ALA  83 -13.304  12.213  -6.403
  663    HB1  ALA  83           HB1      ALA  83 -13.634  14.502  -5.488
  664    HB2  ALA  83           HB2      ALA  83 -14.009  13.245  -4.300
  665    HB3  ALA  83           HB3      ALA  83 -12.475  14.144  -4.190
  666    H    ASP  84           H        ASP  84 -12.758  13.351  -8.224
  667    HA   ASP  84           HA       ASP  84  -9.921  13.528  -8.813
  668    HB2  ASP  84           HB2      ASP  84 -11.411  12.787 -10.574
  669    HB3  ASP  84           HB3      ASP  84 -12.463  14.195 -10.364
  670    H    ILE  85           H        ILE  85  -8.635  15.205  -8.400
  671    HA   ILE  85           HA       ILE  85  -9.756  17.883  -7.842
  672    HB   ILE  85           HB       ILE  85  -6.874  16.942  -7.864
  673   HG12  ILE  85          HG12      ILE  85  -8.679  17.270  -5.417
  674   HG13  ILE  85          HG13      ILE  85  -8.256  15.723  -6.129
  675   HG21  ILE  85          HG21      ILE  85  -6.403  18.963  -6.540
  676   HG22  ILE  85          HG22      ILE  85  -7.180  19.434  -8.028
  677   HG23  ILE  85          HG23      ILE  85  -8.129  19.379  -6.523
  678   HD11  ILE  85          HD11      ILE  85  -5.832  16.202  -5.725
  679   HD12  ILE  85          HD12      ILE  85  -6.309  17.662  -4.820
  680   HD13  ILE  85          HD13      ILE  85  -6.797  16.080  -4.250
  681    H    GLY  86           H        GLY  86  -8.344  15.991 -10.464
  682    HA2  GLY  86           HA2      GLY  86  -6.851  17.932 -11.823
  683    HA3  GLY  86           HA3      GLY  86  -7.554  16.462 -12.514
  684    H    GLY  87           H        GLY  87 -10.365  17.175 -12.087
  685    HA2  GLY  87           HA2      GLY  87 -10.732  19.610 -13.778
  686    HA3  GLY  87           HA3      GLY  87 -11.236  17.998 -14.327
  687    H    LYS  88           H        LYS  88 -12.460  16.829 -12.182
  688    HA   LYS  88           HA       LYS  88 -14.969  18.261 -12.450
  689    HB2  LYS  88           HB2      LYS  88 -14.304  15.693 -10.948
  690    HB3  LYS  88           HB3      LYS  88 -15.931  16.348 -11.197
  691    HG2  LYS  88           HG2      LYS  88 -15.524  16.294 -13.687
  692    HG3  LYS  88           HG3      LYS  88 -13.987  15.465 -13.375
  693    HD2  LYS  88           HD2      LYS  88 -15.231  13.610 -12.261
  694    HD3  LYS  88           HD3      LYS  88 -16.749  14.473 -12.559
  695    HE2  LYS  88           HE2      LYS  88 -16.598  12.834 -14.263
  696    HE3  LYS  88           HE3      LYS  88 -16.267  14.390 -15.030
  697    HZ1  LYS  88           HZ1      LYS  88 -14.255  12.373 -14.218
  698    HZ2  LYS  88           HZ2      LYS  88 -14.711  12.702 -15.752
  699    HZ3  LYS  88           HZ3      LYS  88 -13.882  13.824 -14.907
  700    H    ASP  89           H        ASP  89 -13.046  17.326  -9.544
  701    HA   ASP  89           HA       ASP  89 -13.263  17.801  -7.386
  702    HB2  ASP  89           HB2      ASP  89 -12.161  19.824  -8.290
  703    HB3  ASP  89           HB3      ASP  89 -13.737  20.615  -8.384
  704    H    ASP  90           H        ASP  90 -15.755  17.040  -8.766
  705    HA   ASP  90           HA       ASP  90 -17.773  17.853  -6.760
  706    HB2  ASP  90           HB2      ASP  90 -17.733  19.568  -8.607
  707    HB3  ASP  90           HB3      ASP  90 -18.109  18.286  -9.757
  708    H    ASP  91           H        ASP  91 -16.324  15.290  -7.945
  709    HA   ASP  91           HA       ASP  91 -18.690  13.592  -7.885
  710    HB2  ASP  91           HB2      ASP  91 -18.427  14.155 -10.325
  711    HB3  ASP  91           HB3      ASP  91 -16.790  13.490 -10.259
  712    H    VAL  92           H        VAL  92 -17.973  11.259  -7.680
  713    HA   VAL  92           HA       VAL  92 -15.320  11.059  -6.373
  714    HB   VAL  92           HB       VAL  92 -17.898  10.100  -5.112
  715   HG11  VAL  92          HG11      VAL  92 -16.539   9.947  -3.045
  716   HG12  VAL  92          HG12      VAL  92 -15.899   8.907  -4.310
  717   HG13  VAL  92          HG13      VAL  92 -15.104  10.458  -3.955
  718   HG21  VAL  92          HG21      VAL  92 -16.378  12.671  -4.500
  719   HG22  VAL  92          HG22      VAL  92 -18.056  12.535  -5.073
  720   HG23  VAL  92          HG23      VAL  92 -17.638  11.971  -3.461
  721    H    TYR  93           H        TYR  93 -14.541   9.011  -6.255
  722    HA   TYR  93           HA       TYR  93 -15.701   6.816  -7.887
  723    HB2  TYR  93           HB2      TYR  93 -12.855   7.924  -7.960
  724    HB3  TYR  93           HB3      TYR  93 -13.429   6.539  -8.861
  725    HD1  TYR  93           HD1      TYR  93 -14.993   6.803 -10.779
  726    HD2  TYR  93           HD2      TYR  93 -13.207  10.187  -8.780
  727    HE1  TYR  93           HE1      TYR  93 -15.436   8.201 -12.768
  728    HE2  TYR  93           HE2      TYR  93 -13.651  11.600 -10.774
  729    HH   TYR  93           HH       TYR  93 -15.218  10.270 -13.731
  730    H    THR  94           H        THR  94 -14.004   4.927  -7.595
  731    HA   THR  94           HA       THR  94 -12.899   4.830  -4.831
  732    HB   THR  94           HB       THR  94 -14.227   2.428  -6.122
  733    HG1  THR  94           HG1      THR  94 -15.813   3.978  -5.701
  734   HG21  THR  94          HG21      THR  94 -14.193   1.533  -3.828
  735   HG22  THR  94          HG22      THR  94 -12.559   1.955  -4.360
  736   HG23  THR  94          HG23      THR  94 -13.428   3.025  -3.236
  737    H    ALA  95           H        ALA  95 -10.886   4.021  -4.757
  738    HA   ALA  95           HA       ALA  95  -9.608   2.932  -7.218
  739    HB1  ALA  95           HB1      ALA  95  -8.976   5.316  -6.941
  740    HB2  ALA  95           HB2      ALA  95  -8.468   4.993  -5.273
  741    HB3  ALA  95           HB3      ALA  95  -7.596   4.246  -6.624
  742    H    LYS  96           H        LYS  96  -7.416   1.892  -6.430
  743    HA   LYS  96           HA       LYS  96  -8.091   0.161  -4.073
  744    HB2  LYS  96           HB2      LYS  96  -5.881  -0.144  -6.162
  745    HB3  LYS  96           HB3      LYS  96  -6.178  -1.186  -4.786
  746    HG2  LYS  96           HG2      LYS  96  -7.402  -2.479  -6.062
  747    HG3  LYS  96           HG3      LYS  96  -8.649  -1.245  -6.079
  748    HD2  LYS  96           HD2      LYS  96  -6.367  -1.275  -8.104
  749    HD3  LYS  96           HD3      LYS  96  -7.817  -2.262  -8.315
  750    HE2  LYS  96           HE2      LYS  96  -9.264  -0.330  -8.338
  751    HE3  LYS  96           HE3      LYS  96  -7.919   0.751  -7.927
  752    HZ1  LYS  96           HZ1      LYS  96  -8.564   0.642 -10.336
  753    HZ2  LYS  96           HZ2      LYS  96  -6.974   0.500  -9.991
  754    HZ3  LYS  96           HZ3      LYS  96  -7.870  -0.835 -10.408
  755    H    LEU  97           H        LEU  97  -6.655   0.278  -2.278
  756    HA   LEU  97           HA       LEU  97  -4.993   2.626  -1.999
  757    HB2  LEU  97           HB2      LEU  97  -5.913   1.208  -0.081
  758    HB3  LEU  97           HB3      LEU  97  -4.708  -0.014  -0.506
  759    HG   LEU  97           HG       LEU  97  -2.894   1.713  -0.105
  760   HD11  LEU  97          HD11      LEU  97  -5.263   3.377   0.878
  761   HD12  LEU  97          HD12      LEU  97  -3.579   3.725   1.284
  762   HD13  LEU  97          HD13      LEU  97  -4.102   3.817  -0.398
  763   HD21  LEU  97          HD21      LEU  97  -4.768   1.207   2.238
  764   HD22  LEU  97          HD22      LEU  97  -3.537   0.080   1.617
  765   HD23  LEU  97          HD23      LEU  97  -3.039   1.615   2.338
  766    H    SER  98           H        SER  98  -4.550  -0.665  -3.193
  767    HA   SER  98           HA       SER  98  -1.821  -0.853  -3.611
  768    HB2  SER  98           HB2      SER  98  -3.954  -1.934  -5.475
  769    HB3  SER  98           HB3      SER  98  -2.445  -2.704  -4.966
  770    HG   SER  98           HG       SER  98  -4.417  -3.485  -3.912
  771    H    ASP  99           H        ASP  99  -4.066   1.238  -5.400
  772    HA   ASP  99           HA       ASP  99  -1.914   1.757  -7.357
  773    HB2  ASP  99           HB2      ASP  99  -3.237   1.780  -9.205
  774    HB3  ASP  99           HB3      ASP  99  -3.697   0.309  -8.366
  775    H    ILE 100           H        ILE 100  -2.965   2.974  -4.812
  776    HA   ILE 100           HA       ILE 100  -3.077   5.783  -5.793
  777    HB   ILE 100           HB       ILE 100  -4.301   4.355  -3.456
  778   HG12  ILE 100          HG12      ILE 100  -5.358   5.201  -5.679
  779   HG13  ILE 100          HG13      ILE 100  -6.235   5.387  -4.158
  780   HG21  ILE 100          HG21      ILE 100  -4.683   6.426  -2.178
  781   HG22  ILE 100          HG22      ILE 100  -2.997   5.912  -2.168
  782   HG23  ILE 100          HG23      ILE 100  -3.496   7.277  -3.190
  783   HD11  ILE 100          HD11      ILE 100  -4.633   7.609  -5.449
  784   HD12  ILE 100          HD12      ILE 100  -6.370   7.318  -5.701
  785   HD13  ILE 100          HD13      ILE 100  -5.773   7.731  -4.085
  786    H    GLU 101           H        GLU 101  -1.643   7.177  -4.954
  787    HA   GLU 101           HA       GLU 101   0.443   6.217  -3.069
  788    HB2  GLU 101           HB2      GLU 101   1.268   6.019  -5.426
  789    HB3  GLU 101           HB3      GLU 101   0.997   7.752  -5.653
  790    HG2  GLU 101           HG2      GLU 101   2.608   8.225  -3.811
  791    HG3  GLU 101           HG3      GLU 101   2.856   6.491  -3.583
  792    H    ALA 102           H        ALA 102   0.376   7.631  -1.345
  793    HA   ALA 102           HA       ALA 102  -1.292   9.993  -1.505
  794    HB1  ALA 102           HB1      ALA 102   0.630   9.076   0.674
  795    HB2  ALA 102           HB2      ALA 102  -0.599  10.357   0.815
  796    HB3  ALA 102           HB3      ALA 102  -1.109   8.695   0.578
  797    H    ILE 103           H        ILE 103  -0.680  12.140  -1.205
  798    HA   ILE 103           HA       ILE 103   2.142  12.855  -1.902
  799    HB   ILE 103           HB       ILE 103  -0.487  14.212  -2.591
  800   HG12  ILE 103          HG12      ILE 103   1.611  13.096  -4.511
  801   HG13  ILE 103          HG13      ILE 103   0.223  12.159  -3.990
  802   HG21  ILE 103          HG21      ILE 103   0.867  15.885  -3.816
  803   HG22  ILE 103          HG22      ILE 103   1.269  15.899  -2.107
  804   HG23  ILE 103          HG23      ILE 103   2.358  15.095  -3.256
  805   HD11  ILE 103          HD11      ILE 103  -0.316  13.125  -6.107
  806   HD12  ILE 103          HD12      ILE 103  -1.307  13.926  -4.886
  807   HD13  ILE 103          HD13      ILE 103   0.114  14.751  -5.574
  808    H    ASP 104           H        ASP 104   3.172  14.051  -0.477
  809    HA   ASP 104           HA       ASP 104   3.728  15.105   1.418
  810    HB2  ASP 104           HB2      ASP 104   3.032  16.867  -0.153
  811    HB3  ASP 104           HB3      ASP 104   1.420  16.870   0.562
  812    H    VAL 105           H        VAL 105   2.213  12.877   2.122
  813    HA   VAL 105           HA       VAL 105   0.228  13.784   4.102
  814    HB   VAL 105           HB       VAL 105  -0.121  11.967   2.332
  815   HG11  VAL 105          HG11      VAL 105   1.852  10.576   2.658
  816   HG12  VAL 105          HG12      VAL 105   1.356  10.236   4.321
  817   HG13  VAL 105          HG13      VAL 105   0.371   9.655   2.990
  818   HG21  VAL 105          HG21      VAL 105  -0.969  11.299   5.138
  819   HG22  VAL 105          HG22      VAL 105  -1.673  12.575   4.125
  820   HG23  VAL 105          HG23      VAL 105  -1.750  10.901   3.587
  821    H    ASP 106           H        ASP 106   0.234  12.302   6.213
  822    HA   ASP 106           HA       ASP 106   2.680  12.977   7.602
  823    HB2  ASP 106           HB2      ASP 106   1.436  12.890   9.403
  824    HB3  ASP 106           HB3      ASP 106   0.026  12.575   8.397
  825    H    ASP 107           H        ASP 107   3.973  11.441   8.797
  826    HA   ASP 107           HA       ASP 107   5.083   9.543   7.093
  827    HB2  ASP 107           HB2      ASP 107   6.314  10.605   8.917
  828    HB3  ASP 107           HB3      ASP 107   5.293   9.801  10.114
  829    H    ASP 108           H        ASP 108   2.591   9.031   9.659
  830    HA   ASP 108           HA       ASP 108   2.970   6.168   9.635
  831    HB2  ASP 108           HB2      ASP 108   1.829   7.866  11.411
  832    HB3  ASP 108           HB3      ASP 108   0.374   7.352  10.548
  833    H    THR 109           H        THR 109   0.591   8.421   8.119
  834    HA   THR 109           HA       THR 109  -0.936   6.486   6.737
  835    HB   THR 109           HB       THR 109  -0.233   9.335   5.829
  836    HG1  THR 109           HG1      THR 109  -1.055   9.396   7.895
  837   HG21  THR 109          HG21      THR 109  -2.485   9.281   4.833
  838   HG22  THR 109          HG22      THR 109  -1.445   8.052   4.094
  839   HG23  THR 109          HG23      THR 109  -2.687   7.613   5.301
  840    H    GLN 110           H        GLN 110   2.120   8.149   5.751
  841    HA   GLN 110           HA       GLN 110   2.182   6.840   3.225
  842    HB2  GLN 110           HB2      GLN 110   3.359   8.948   3.787
  843    HB3  GLN 110           HB3      GLN 110   4.453   8.055   4.843
  844    HG2  GLN 110           HG2      GLN 110   5.420   8.574   2.642
  845    HG3  GLN 110           HG3      GLN 110   5.359   6.835   2.956
  846   HE21  GLN 110          HE22      GLN 110   3.891   5.509   1.706
  847   HE22  GLN 110          HE21      GLN 110   3.256   6.104   0.180
  848    H    GLU 111           H        GLU 111   3.484   5.874   6.436
  849    HA   GLU 111           HA       GLU 111   4.951   3.626   5.442
  850    HB2  GLU 111           HB2      GLU 111   3.825   4.376   8.161
  851    HB3  GLU 111           HB3      GLU 111   4.614   2.824   7.902
  852    HG2  GLU 111           HG2      GLU 111   5.950   5.475   7.244
  853    HG3  GLU 111           HG3      GLU 111   6.080   4.678   8.810
  854    H    ALA 112           H        ALA 112   1.521   3.942   6.526
  855    HA   ALA 112           HA       ALA 112   0.878   1.184   6.390
  856    HB1  ALA 112           HB1      ALA 112  -0.611   3.018   7.266
  857    HB2  ALA 112           HB2      ALA 112  -0.876   3.552   5.608
  858    HB3  ALA 112           HB3      ALA 112  -1.432   1.945   6.115
  859    H    ILE 113           H        ILE 113   0.932   3.708   3.886
  860    HA   ILE 113           HA       ILE 113  -0.126   2.117   1.752
  861    HB   ILE 113           HB       ILE 113   1.486   4.676   1.911
  862   HG12  ILE 113          HG12      ILE 113  -1.395   4.344   1.024
  863   HG13  ILE 113          HG13      ILE 113  -0.993   4.430   2.735
  864   HG21  ILE 113          HG21      ILE 113   0.897   5.087  -0.484
  865   HG22  ILE 113          HG22      ILE 113   2.011   3.737  -0.268
  866   HG23  ILE 113          HG23      ILE 113   0.291   3.421  -0.594
  867   HD11  ILE 113          HD11      ILE 113  -1.594   6.623   2.021
  868   HD12  ILE 113          HD12      ILE 113   0.138   6.620   2.369
  869   HD13  ILE 113          HD13      ILE 113  -0.418   6.567   0.680
  870    H    ALA 114           H        ALA 114   3.262   2.980   2.664
  871    HA   ALA 114           HA       ALA 114   4.529   1.525   0.599
  872    HB1  ALA 114           HB1      ALA 114   5.665   3.234   1.982
  873    HB2  ALA 114           HB2      ALA 114   5.535   2.176   3.408
  874    HB3  ALA 114           HB3      ALA 114   6.529   1.686   2.022
  875    H    ASP 115           H        ASP 115   3.657   0.556   3.963
  876    HA   ASP 115           HA       ASP 115   4.735  -2.058   3.847
  877    HB2  ASP 115           HB2      ASP 115   4.106  -0.899   5.921
  878    HB3  ASP 115           HB3      ASP 115   2.398  -0.999   5.467
  879    H    TRP 116           H        TRP 116   1.506  -0.818   2.946
  880    HA   TRP 116           HA       TRP 116   0.369  -3.382   2.361
  881    HB2  TRP 116           HB2      TRP 116  -1.000  -1.366   2.681
  882    HB3  TRP 116           HB3      TRP 116  -0.302  -0.631   1.238
  883    HD1  TRP 116           HD1      TRP 116  -1.646  -0.974  -0.902
  884    HE1  TRP 116           HE1      TRP 116  -3.310  -2.682  -1.830
  885    HE3  TRP 116           HE3      TRP 116  -1.866  -4.145   3.120
  886    HZ2  TRP 116           HZ2      TRP 116  -4.434  -5.218  -1.003
  887    HZ3  TRP 116           HZ3      TRP 116  -3.233  -6.207   3.010
  888    HH2  TRP 116           HH2      TRP 116  -4.497  -6.769   0.949
  889    H    LEU 117           H        LEU 117   2.265  -1.046   0.388
  890    HA   LEU 117           HA       LEU 117   1.975  -2.528  -2.060
  891    HB2  LEU 117           HB2      LEU 117   3.976  -0.434  -1.146
  892    HB3  LEU 117           HB3      LEU 117   4.002  -1.135  -2.757
  893    HG   LEU 117           HG       LEU 117   1.524   0.251  -1.640
  894   HD11  LEU 117          HD11      LEU 117   3.380   1.852  -1.637
  895   HD12  LEU 117          HD12      LEU 117   3.751   1.457  -3.332
  896   HD13  LEU 117          HD13      LEU 117   2.212   2.244  -2.904
  897   HD21  LEU 117          HD21      LEU 117   1.071  -1.211  -3.558
  898   HD22  LEU 117          HD22      LEU 117   0.919   0.483  -4.023
  899   HD23  LEU 117          HD23      LEU 117   2.370  -0.432  -4.486
  900    H    TYR 118           H        TYR 118   4.410  -2.664   0.599
  901    HA   TYR 118           HA       TYR 118   6.141  -4.544  -0.669
  902    HB2  TYR 118           HB2      TYR 118   5.422  -4.419   2.283
  903    HB3  TYR 118           HB3      TYR 118   6.827  -5.190   1.593
  904    HD1  TYR 118           HD2      TYR 118   7.459  -2.725  -0.384
  905    HD2  TYR 118           HD1      TYR 118   6.676  -3.135   3.844
  906    HE1  TYR 118           HE2      TYR 118   8.686  -0.632   0.041
  907    HE2  TYR 118           HE1      TYR 118   7.838  -0.999   4.270
  908    HH   TYR 118           HH       TYR 118   9.407   0.902   1.643
  909    H    TRP 119           H        TRP 119   3.186  -5.030   1.340
  910    HA   TRP 119           HA       TRP 119   3.266  -7.886   1.324
  911    HB2  TRP 119           HB2      TRP 119   2.086  -6.637   2.984
  912    HB3  TRP 119           HB3      TRP 119   1.141  -5.774   1.783
  913    HD1  TRP 119           HD1      TRP 119  -1.031  -6.812   0.932
  914    HE1  TRP 119           HE1      TRP 119  -2.501  -8.785   1.721
  915    HE3  TRP 119           HE3      TRP 119   2.465  -9.331   3.687
  916    HZ2  TRP 119           HZ2      TRP 119  -2.138 -11.180   3.299
  917    HZ3  TRP 119           HZ3      TRP 119   1.901 -11.494   4.764
  918    HH2  TRP 119           HH2      TRP 119  -0.397 -12.426   4.584
  919    H    LEU 120           H        LEU 120   1.701  -5.450  -0.808
  920    HA   LEU 120           HA       LEU 120   0.250  -7.134  -2.416
  921    HB2  LEU 120           HB2      LEU 120   0.646  -4.482  -2.416
  922    HB3  LEU 120           HB3      LEU 120   1.856  -4.857  -3.630
  923    HG   LEU 120           HG       LEU 120  -0.134  -6.213  -4.768
  924   HD11  LEU 120          HD11      LEU 120  -1.669  -5.892  -2.800
  925   HD12  LEU 120          HD12      LEU 120  -1.610  -4.147  -3.058
  926   HD13  LEU 120          HD13      LEU 120  -2.335  -5.196  -4.290
  927   HD21  LEU 120          HD21      LEU 120   0.964  -4.244  -5.763
  928   HD22  LEU 120          HD22      LEU 120  -0.786  -4.176  -6.001
  929   HD23  LEU 120          HD23      LEU 120  -0.020  -3.162  -4.755
  930    H    ALA 121           H        ALA 121   3.727  -6.232  -2.678
  931    HA   ALA 121           HA       ALA 121   4.244  -7.857  -5.018
  932    HB1  ALA 121           HB1      ALA 121   6.147  -6.560  -3.010
  933    HB2  ALA 121           HB2      ALA 121   6.588  -7.211  -4.601
  934    HB3  ALA 121           HB3      ALA 121   5.520  -5.798  -4.491
  935    H    ARG 122           H        ARG 122   4.372  -8.422  -1.533
  936    HA   ARG 122           HA       ARG 122   6.251 -10.473  -1.418
  937    HB2  ARG 122           HB2      ARG 122   5.257  -9.187   0.489
  938    HB3  ARG 122           HB3      ARG 122   3.753 -10.079   0.296
  939    HG2  ARG 122           HG2      ARG 122   5.003 -10.832   2.205
  940    HG3  ARG 122           HG3      ARG 122   4.810 -12.142   1.050
  941    HD2  ARG 122           HD2      ARG 122   7.325 -10.422   1.126
  942    HD3  ARG 122           HD3      ARG 122   7.109 -11.805   2.213
  943    HE   ARG 122           HE       ARG 122   6.527 -12.832  -0.277
  944   HH11  ARG 122          HH11      ARG 122   9.366 -11.122   1.063
  945   HH12  ARG 122          HH12      ARG 122  10.448 -11.916  -0.077
  946   HH21  ARG 122          HH21      ARG 122   8.116 -13.976  -1.558
  947   HH22  ARG 122          HH22      ARG 122   9.802 -13.491  -1.409
  948    H    GLY 123           H        GLY 123   2.918 -10.678  -2.502
  949    HA2  GLY 123           HA2      GLY 123   2.350 -12.525  -4.016
  950    HA3  GLY 123           HA3      GLY 123   3.267 -13.632  -2.986
  951    H    TYR 124           H        TYR 124   1.138 -11.054  -1.810
  952    HA   TYR 124           HA       TYR 124  -0.269 -12.575   0.045
  953    HB2  TYR 124           HB2      TYR 124  -1.518 -10.666   0.386
  954    HB3  TYR 124           HB3      TYR 124   0.063 -10.065  -0.070
  955    HD1  TYR 124           HD2      TYR 124  -0.013  -9.971  -3.064
  956    HD2  TYR 124           HD1      TYR 124  -3.122  -9.135  -0.201
  957    HE1  TYR 124           HE2      TYR 124  -1.231  -8.705  -4.761
  958    HE2  TYR 124           HE1      TYR 124  -4.332  -7.839  -1.858
  959    HH   TYR 124           HH       TYR 124  -3.225  -7.591  -5.298
  960    H    LYS 125           H        LYS 125  -2.686 -12.680   0.182
  961    HA   LYS 125           HA       LYS 125  -4.071 -13.289  -2.387
  962    HB2  LYS 125           HB2      LYS 125  -4.213 -14.956   0.164
  963    HB3  LYS 125           HB3      LYS 125  -5.127 -15.238  -1.322
  964    HG2  LYS 125           HG2      LYS 125  -2.972 -15.599  -2.546
  965    HG3  LYS 125           HG3      LYS 125  -2.105 -15.426  -1.004
  966    HD2  LYS 125           HD2      LYS 125  -3.352 -17.356  -0.076
  967    HD3  LYS 125           HD3      LYS 125  -4.212 -17.542  -1.622
  968    HE2  LYS 125           HE2      LYS 125  -2.039 -17.896  -2.781
  969    HE3  LYS 125           HE3      LYS 125  -1.186 -17.714  -1.243
  970    HZ1  LYS 125           HZ1      LYS 125  -3.128 -19.864  -1.868
  971    HZ2  LYS 125           HZ2      LYS 125  -1.511 -20.035  -1.805
  972    HZ3  LYS 125           HZ3      LYS 125  -2.338 -19.696  -0.445
  973    H    PHE 126           H        PHE 126  -4.098 -11.507   0.537
  974    HA   PHE 126           HA       PHE 126  -6.848 -10.670   0.311
  975    HB2  PHE 126           HB2      PHE 126  -7.008 -11.318   2.921
  976    HB3  PHE 126           HB3      PHE 126  -7.610 -12.340   1.640
  977    HD1  PHE 126           HD1      PHE 126  -4.267 -11.807   3.335
  978    HD2  PHE 126           HD2      PHE 126  -7.207 -14.606   1.914
  979    HE1  PHE 126           HE1      PHE 126  -2.782 -13.687   3.981
  980    HE2  PHE 126           HE2      PHE 126  -5.763 -16.492   2.631
  981    HZ   PHE 126           HZ       PHE 126  -3.536 -16.044   3.637
  Start of MODEL    5
    1    H1   MET   1           H1       MET   1   9.387 -16.481  -4.282
    2    H2   MET   1           H2       MET   1  10.182 -15.498  -5.323
    3    H3   MET   1           H3       MET   1  10.726 -15.659  -3.795
    4    HA   MET   1           HA       MET   1   8.184 -14.422  -4.600
    5    HB2  MET   1           HB2      MET   1   9.408 -14.771  -1.821
    6    HB3  MET   1           HB3      MET   1   8.113 -13.633  -2.190
    7    HG2  MET   1           HG2      MET   1   6.685 -15.504  -2.986
    8    HG3  MET   1           HG3      MET   1   7.942 -16.648  -2.495
    9    HE1  MET   1           HE1      MET   1   4.898 -16.822  -1.570
   10    HE2  MET   1           HE2      MET   1   6.153 -17.983  -1.079
   11    HE3  MET   1           HE3      MET   1   5.103 -17.236   0.146
   12    H    ALA   2           H        ALA   2   8.112 -12.095  -4.354
   13    HA   ALA   2           HA       ALA   2  10.249 -10.752  -5.498
   14    HB1  ALA   2           HB1      ALA   2   9.033  -8.697  -4.967
   15    HB2  ALA   2           HB2      ALA   2   7.902  -9.956  -5.489
   16    HB3  ALA   2           HB3      ALA   2   8.052  -9.546  -3.762
   17    H    SER   3           H        SER   3   9.828 -11.421  -2.063
   18    HA   SER   3           HA       SER   3  10.967 -10.861  -0.216
   19    HB2  SER   3           HB2      SER   3  13.357 -10.648  -2.077
   20    HB3  SER   3           HB3      SER   3  13.369 -11.032  -0.348
   21    HG   SER   3           HG       SER   3  12.195 -12.574  -2.444
   22    H    VAL   4           H        VAL   4   9.666  -8.704  -1.581
   23    HA   VAL   4           HA       VAL   4  11.333  -6.385  -1.716
   24    HB   VAL   4           HB       VAL   4   9.540  -6.811  -3.252
   25   HG11  VAL   4          HG11      VAL   4   7.165  -6.707  -2.664
   26   HG12  VAL   4          HG12      VAL   4   7.941  -8.057  -1.854
   27   HG13  VAL   4          HG13      VAL   4   7.577  -6.585  -0.943
   28   HG21  VAL   4          HG21      VAL   4  10.081  -4.441  -2.810
   29   HG22  VAL   4          HG22      VAL   4   8.409  -4.689  -3.340
   30   HG23  VAL   4          HG23      VAL   4   8.755  -4.373  -1.629
   31    H    GLU   5           H        GLU   5   9.617  -7.850   0.951
   32    HA   GLU   5           HA       GLU   5   9.161  -5.523   2.535
   33    HB2  GLU   5           HB2      GLU   5   8.970  -7.006   4.391
   34    HB3  GLU   5           HB3      GLU   5   8.162  -7.732   3.018
   35    HG2  GLU   5           HG2      GLU   5  10.917  -8.493   4.104
   36    HG3  GLU   5           HG3      GLU   5   9.422  -9.357   4.406
   37    H    ARG   6           H        ARG   6  10.415  -4.777   4.429
   38    HA   ARG   6           HA       ARG   6  13.092  -4.175   3.731
   39    HB2  ARG   6           HB2      ARG   6  11.757  -2.664   4.993
   40    HB3  ARG   6           HB3      ARG   6  11.405  -3.844   6.247
   41    HG2  ARG   6           HG2      ARG   6  14.290  -3.077   5.805
   42    HG3  ARG   6           HG3      ARG   6  13.209  -1.892   6.550
   43    HD2  ARG   6           HD2      ARG   6  12.585  -3.428   8.320
   44    HD3  ARG   6           HD3      ARG   6  13.511  -4.730   7.575
   45    HE   ARG   6           HE       ARG   6  15.167  -2.432   8.061
   46   HH11  ARG   6          HH21      ARG   6  13.692  -5.175   9.851
   47   HH12  ARG   6          HH22      ARG   6  14.990  -5.258  10.980
   48   HH21  ARG   6          HH11      ARG   6  16.816  -2.546   9.630
   49   HH22  ARG   6          HH12      ARG   6  16.754  -3.709  10.896
   50    H    ASP   7           H        ASP   7  11.737  -6.471   6.144
   51    HA   ASP   7           HA       ASP   7  13.753  -8.420   5.836
   52    HB2  ASP   7           HB2      ASP   7  15.119  -6.781   7.192
   53    HB3  ASP   7           HB3      ASP   7  13.862  -6.804   8.421
   54    H    GLU   8           H        GLU   8  13.311 -10.080   7.743
   55    HA   GLU   8           HA       GLU   8  10.584 -10.774   7.808
   56    HB2  GLU   8           HB2      GLU   8  12.898 -11.629   9.589
   57    HB3  GLU   8           HB3      GLU   8  11.308 -12.403   9.576
   58    HG2  GLU   8           HG2      GLU   8  11.577 -12.916   7.155
   59    HG3  GLU   8           HG3      GLU   8  13.199 -12.224   7.193
   60    H    THR   9           H        THR   9  11.998  -8.218   9.642
   61    HA   THR   9           HA       THR   9  10.493  -8.305  12.058
   62    HB   THR   9           HB       THR   9  10.732  -5.724  11.578
   63    HG1  THR   9           HG1      THR   9  11.321  -5.555   9.528
   64   HG21  THR   9          HG21      THR   9  13.047  -5.756  12.386
   65   HG22  THR   9          HG22      THR   9  12.129  -7.032  13.195
   66   HG23  THR   9          HG23      THR   9  13.233  -7.451  11.865
   67    H    ARG  10           H        ARG  10   9.792  -7.186   8.746
   68    HA   ARG  10           HA       ARG  10   7.209  -6.055   9.270
   69    HB2  ARG  10           HB2      ARG  10   8.431  -7.300   6.762
   70    HB3  ARG  10           HB3      ARG  10   6.881  -6.469   6.769
   71    HG2  ARG  10           HG2      ARG  10   9.431  -5.090   7.722
   72    HG3  ARG  10           HG3      ARG  10   8.956  -5.125   6.022
   73    HD2  ARG  10           HD2      ARG  10   6.929  -3.973   6.425
   74    HD3  ARG  10           HD3      ARG  10   7.086  -4.099   8.186
   75    HE   ARG  10           HE       ARG  10   9.333  -2.727   7.520
   76   HH11  ARG  10          HH21      ARG  10   5.895  -2.191   6.714
   77   HH12  ARG  10          HH22      ARG  10   6.044  -0.452   6.811
   78   HH21  ARG  10          HH11      ARG  10   9.466  -0.397   7.564
   79   HH22  ARG  10          HH12      ARG  10   8.029   0.550   7.292
   80    H    GLU  11           H        GLU  11   8.237  -9.379   8.346
   81    HA   GLU  11           HA       GLU  11   5.587 -10.401   8.174
   82    HB2  GLU  11           HB2      GLU  11   8.119 -11.947   8.880
   83    HB3  GLU  11           HB3      GLU  11   6.604 -12.609   8.271
   84    HG2  GLU  11           HG2      GLU  11   8.595 -10.856   6.797
   85    HG3  GLU  11           HG3      GLU  11   8.148 -12.519   6.436
   86    H    HIS  12           H        HIS  12   7.855 -10.159  10.952
   87    HA   HIS  12           HA       HIS  12   6.167 -11.578  12.784
   88    HB2  HIS  12           HB2      HIS  12   8.324  -9.475  13.216
   89    HB3  HIS  12           HB3      HIS  12   7.431 -10.225  14.532
   90    HD1  HIS  12           HD1      HIS  12   9.723 -11.424  11.623
   91    HD2  HIS  12           HD2      HIS  12   8.340 -12.474  15.459
   92    HE1  HIS  12           HE1      HIS  12  11.018 -13.516  12.306
   93    H    ARG  13           H        ARG  13   6.339  -8.052  11.924
   94    HA   ARG  13           HA       ARG  13   4.301  -7.279  13.799
   95    HB2  ARG  13           HB2      ARG  13   5.221  -6.044  11.162
   96    HB3  ARG  13           HB3      ARG  13   4.043  -5.283  12.224
   97    HG2  ARG  13           HG2      ARG  13   6.875  -5.998  13.103
   98    HG3  ARG  13           HG3      ARG  13   6.395  -4.426  12.454
   99    HD2  ARG  13           HD2      ARG  13   4.772  -4.139  14.288
  100    HD3  ARG  13           HD3      ARG  13   5.240  -5.711  14.966
  101    HE   ARG  13           HE       ARG  13   7.589  -4.199  14.690
  102   HH11  ARG  13          HH11      ARG  13   4.561  -4.052  16.562
  103   HH12  ARG  13          HH12      ARG  13   5.290  -3.244  17.915
  104   HH21  ARG  13          HH21      ARG  13   8.540  -3.115  16.486
  105   HH22  ARG  13          HH22      ARG  13   7.594  -2.700  17.862
  106    H    ILE  14           H        ILE  14   4.087  -8.278  10.349
  107    HA   ILE  14           HA       ILE  14   1.301  -7.960  10.049
  108    HB   ILE  14           HB       ILE  14   3.336  -9.827   8.794
  109   HG12  ILE  14          HG12      ILE  14   1.804  -7.517   7.542
  110   HG13  ILE  14          HG13      ILE  14   3.317  -7.264   8.387
  111   HG21  ILE  14          HG21      ILE  14   1.223 -11.015   8.615
  112   HG22  ILE  14          HG22      ILE  14   0.406  -9.555   8.001
  113   HG23  ILE  14          HG23      ILE  14   1.654 -10.377   7.040
  114   HD11  ILE  14          HD11      ILE  14   4.451  -8.843   6.809
  115   HD12  ILE  14          HD12      ILE  14   2.937  -8.952   5.881
  116   HD13  ILE  14          HD13      ILE  14   3.776  -7.401   6.032
  117    H    GLU  15           H        GLU  15   3.142 -10.879  11.082
  118    HA   GLU  15           HA       GLU  15   0.892 -12.478  11.545
  119    HB2  GLU  15           HB2      GLU  15   3.173 -13.321  11.297
  120    HB3  GLU  15           HB3      GLU  15   3.671 -12.546  12.808
  121    HG2  GLU  15           HG2      GLU  15   2.172 -13.989  14.096
  122    HG3  GLU  15           HG3      GLU  15   1.521 -14.696  12.611
  123    H    THR  16           H        THR  16   2.671 -10.373  13.899
  124    HA   THR  16           HA       THR  16   0.980 -11.362  16.043
  125    HB   THR  16           HB       THR  16   2.346  -9.811  17.452
  126    HG1  THR  16           HG1      THR  16   3.853  -9.433  15.078
  127   HG21  THR  16          HG21      THR  16   3.006 -12.156  17.124
  128   HG22  THR  16          HG22      THR  16   3.923 -11.722  15.668
  129   HG23  THR  16          HG23      THR  16   4.424 -11.105  17.258
  130    H    GLU  17           H        GLU  17   0.780  -8.531  13.968
  131    HA   GLU  17           HA       GLU  17  -1.280  -7.392  15.811
  132    HB2  GLU  17           HB2      GLU  17   0.837  -5.916  14.200
  133    HB3  GLU  17           HB3      GLU  17  -0.464  -5.166  15.121
  134    HG2  GLU  17           HG2      GLU  17   0.394  -6.269  17.201
  135    HG3  GLU  17           HG3      GLU  17   1.775  -6.866  16.279
  136    H    ILE  18           H        ILE  18  -0.921  -8.618  12.621
  137    HA   ILE  18           HA       ILE  18  -3.239  -6.931  11.754
  138    HB   ILE  18           HB       ILE  18  -1.168  -8.157   9.912
  139   HG12  ILE  18          HG12      ILE  18  -1.298  -5.369  11.132
  140   HG13  ILE  18          HG13      ILE  18   0.016  -6.524  11.268
  141   HG21  ILE  18          HG21      ILE  18  -3.241  -5.982   9.444
  142   HG22  ILE  18          HG22      ILE  18  -2.168  -6.716   8.230
  143   HG23  ILE  18          HG23      ILE  18  -3.443  -7.672   8.963
  144   HD11  ILE  18          HD11      ILE  18   0.740  -4.873   9.734
  145   HD12  ILE  18          HD12      ILE  18   0.354  -6.304   8.757
  146   HD13  ILE  18          HD13      ILE  18  -0.770  -4.931   8.811
  147    H    ILE  19           H        ILE  19  -1.797 -10.261  11.479
  148    HA   ILE  19           HA       ILE  19  -4.554 -11.239  10.893
  149    HB   ILE  19           HB       ILE  19  -3.494 -12.776   9.320
  150   HG12  ILE  19          HG12      ILE  19  -0.999 -11.062   9.455
  151   HG13  ILE  19          HG13      ILE  19  -1.173 -12.451  10.537
  152   HG21  ILE  19          HG21      ILE  19  -4.521 -10.591   8.594
  153   HG22  ILE  19          HG22      ILE  19  -2.899  -9.876   8.604
  154   HG23  ILE  19          HG23      ILE  19  -3.270 -11.209   7.507
  155   HD11  ILE  19          HD11      ILE  19   0.012 -13.131   8.573
  156   HD12  ILE  19          HD12      ILE  19  -1.590 -13.909   8.621
  157   HD13  ILE  19          HD13      ILE  19  -1.304 -12.533   7.520
  158    H    VAL  20           H        VAL  20  -2.994 -11.301  13.521
  159    HA   VAL  20           HA       VAL  20  -1.833 -13.655  14.075
  160    HB   VAL  20           HB       VAL  20  -2.044 -11.662  15.546
  161   HG11  VAL  20          HG11      VAL  20  -4.517 -11.387  15.510
  162   HG12  VAL  20          HG12      VAL  20  -4.682 -12.877  16.468
  163   HG13  VAL  20          HG13      VAL  20  -3.862 -11.459  17.151
  164   HG21  VAL  20          HG21      VAL  20  -2.627 -14.296  16.955
  165   HG22  VAL  20          HG22      VAL  20  -1.035 -13.758  16.370
  166   HG23  VAL  20          HG23      VAL  20  -1.850 -12.860  17.662
  167    H    ASP  21           H        ASP  21  -5.387 -13.323  14.018
  168    HA   ASP  21           HA       ASP  21  -5.617 -16.235  14.600
  169    HB2  ASP  21           HB2      ASP  21  -6.614 -14.690  16.250
  170    HB3  ASP  21           HB3      ASP  21  -7.637 -14.005  14.986
  171    H    ALA  22           H        ALA  22  -5.286 -14.422  12.035
  172    HA   ALA  22           HA       ALA  22  -7.758 -15.080  10.558
  173    HB1  ALA  22           HB1      ALA  22  -7.182 -13.245   9.111
  174    HB2  ALA  22           HB2      ALA  22  -7.335 -12.687  10.792
  175    HB3  ALA  22           HB3      ALA  22  -5.728 -12.902  10.045
  176    H    GLU  23           H        GLU  23  -7.641 -16.432   9.107
  177    HA   GLU  23           HA       GLU  23  -5.427 -16.772   7.247
  178    HB2  GLU  23           HB2      GLU  23  -4.665 -18.788   7.678
  179    HB3  GLU  23           HB3      GLU  23  -4.952 -18.183   9.308
  180    HG2  GLU  23           HG2      GLU  23  -6.798 -20.095   7.836
  181    HG3  GLU  23           HG3      GLU  23  -5.476 -20.607   8.872
  182    H    ASP  24           H        ASP  24  -8.694 -17.149   8.065
  183    HA   ASP  24           HA       ASP  24  -9.468 -18.559   5.607
  184    HB2  ASP  24           HB2      ASP  24 -11.127 -16.992   7.620
  185    HB3  ASP  24           HB3      ASP  24 -11.726 -17.965   6.290
  186    H    LYS  25           H        LYS  25 -10.043 -17.287   3.741
  187    HA   LYS  25           HA       LYS  25  -8.427 -15.071   3.391
  188    HB2  LYS  25           HB2      LYS  25  -9.398 -14.880   1.207
  189    HB3  LYS  25           HB3      LYS  25  -9.280 -16.586   1.652
  190    HG2  LYS  25           HG2      LYS  25 -11.806 -16.210   2.473
  191    HG3  LYS  25           HG3      LYS  25 -11.727 -14.829   1.383
  192    HD2  LYS  25           HD2      LYS  25 -11.455 -17.788   0.751
  193    HD3  LYS  25           HD3      LYS  25 -12.669 -16.646   0.148
  194    HE2  LYS  25           HE2      LYS  25 -10.824 -15.431  -1.072
  195    HE3  LYS  25           HE3      LYS  25  -9.692 -16.668  -0.497
  196    HZ1  LYS  25           HZ1      LYS  25 -10.462 -17.145  -2.741
  197    HZ2  LYS  25           HZ2      LYS  25 -10.972 -18.321  -1.736
  198    HZ3  LYS  25           HZ3      LYS  25 -12.019 -17.182  -2.266
  199    H    GLU  26           H        GLU  26 -11.823 -15.021   4.389
  200    HA   GLU  26           HA       GLU  26 -12.225 -12.204   3.880
  201    HB2  GLU  26           HB2      GLU  26 -13.690 -14.163   5.710
  202    HB3  GLU  26           HB3      GLU  26 -14.231 -12.522   5.332
  203    HG2  GLU  26           HG2      GLU  26 -14.348 -13.128   2.913
  204    HG3  GLU  26           HG3      GLU  26 -13.875 -14.779   3.309
  205    H    GLU  27           H        GLU  27 -11.020 -14.171   6.646
  206    HA   GLU  27           HA       GLU  27 -11.117 -12.015   8.569
  207    HB2  GLU  27           HB2      GLU  27  -9.281 -14.428   8.481
  208    HB3  GLU  27           HB3      GLU  27  -9.618 -13.409   9.881
  209    HG2  GLU  27           HG2      GLU  27 -11.902 -14.192   9.993
  210    HG3  GLU  27           HG3      GLU  27 -11.702 -15.132   8.506
  211    H    ARG  28           H        ARG  28  -8.571 -13.447   6.390
  212    HA   ARG  28           HA       ARG  28  -6.559 -11.629   7.380
  213    HB2  ARG  28           HB2      ARG  28  -6.742 -13.266   4.828
  214    HB3  ARG  28           HB3      ARG  28  -5.414 -12.118   5.118
  215    HG2  ARG  28           HG2      ARG  28  -4.978 -13.225   7.320
  216    HG3  ARG  28           HG3      ARG  28  -6.179 -14.458   6.899
  217    HD2  ARG  28           HD2      ARG  28  -4.830 -15.254   5.080
  218    HD3  ARG  28           HD3      ARG  28  -3.720 -13.867   5.200
  219    HE   ARG  28           HE       ARG  28  -3.746 -15.123   7.713
  220   HH11  ARG  28          HH11      ARG  28  -2.812 -16.123   4.391
  221   HH12  ARG  28          HH12      ARG  28  -1.564 -17.177   4.959
  222   HH21  ARG  28          HH21      ARG  28  -2.150 -16.555   8.409
  223   HH22  ARG  28          HH22      ARG  28  -1.199 -17.454   7.287
  224    H    ALA  29           H        ALA  29  -8.826 -11.296   4.588
  225    HA   ALA  29           HA       ALA  29  -7.887  -8.798   3.741
  226    HB1  ALA  29           HB1      ALA  29 -10.760  -9.819   3.784
  227    HB2  ALA  29           HB2      ALA  29 -10.079  -8.551   2.727
  228    HB3  ALA  29           HB3      ALA  29  -9.548 -10.235   2.559
  229    H    MET  30           H        MET  30 -10.373  -9.542   6.277
  230    HA   MET  30           HA       MET  30 -10.813  -6.796   6.946
  231    HB2  MET  30           HB2      MET  30 -11.341  -9.368   8.455
  232    HB3  MET  30           HB3      MET  30 -11.808  -7.773   9.045
  233    HG2  MET  30           HG2      MET  30 -12.747  -9.005   6.423
  234    HG3  MET  30           HG3      MET  30 -13.656  -8.920   7.921
  235    HE1  MET  30           HE1      MET  30 -13.372  -5.722   4.685
  236    HE2  MET  30           HE2      MET  30 -11.807  -6.297   5.261
  237    HE3  MET  30           HE3      MET  30 -12.966  -7.446   4.585
  238    H    GLY  31           H        GLY  31  -8.483  -9.170   8.318
  239    HA2  GLY  31           HA2      GLY  31  -7.629  -7.587  10.500
  240    HA3  GLY  31           HA3      GLY  31  -6.678  -8.827   9.653
  241    H    TRP  32           H        TRP  32  -6.378  -7.821   7.119
  242    HA   TRP  32           HA       TRP  32  -4.417  -5.781   7.351
  243    HB2  TRP  32           HB2      TRP  32  -5.926  -7.019   5.039
  244    HB3  TRP  32           HB3      TRP  32  -4.920  -5.600   4.790
  245    HD1  TRP  32           HD1      TRP  32  -4.619  -9.311   5.241
  246    HE1  TRP  32           HE1      TRP  32  -2.167 -10.021   5.110
  247    HE3  TRP  32           HE3      TRP  32  -2.471  -4.701   5.380
  248    HZ2  TRP  32           HZ2      TRP  32   0.439  -8.729   5.301
  249    HZ3  TRP  32           HZ3      TRP  32  -0.006  -4.447   5.369
  250    HH2  TRP  32           HH2      TRP  32   1.456  -6.452   5.323
  251    H    TYR  33           H        TYR  33  -7.869  -5.597   6.280
  252    HA   TYR  33           HA       TYR  33  -7.877  -2.866   5.630
  253    HB2  TYR  33           HB2      TYR  33  -9.648  -4.259   4.900
  254    HB3  TYR  33           HB3      TYR  33  -9.963  -4.852   6.514
  255    HD1  TYR  33           HD1      TYR  33  -9.841  -1.383   5.005
  256    HD2  TYR  33           HD2      TYR  33 -12.051  -4.310   7.265
  257    HE1  TYR  33           HE1      TYR  33 -11.676   0.253   5.331
  258    HE2  TYR  33           HE2      TYR  33 -13.855  -2.675   7.643
  259    HH   TYR  33           HH       TYR  33 -14.622  -0.508   7.243
  260    H    TYR  34           H        TYR  34  -8.633  -4.407   8.834
  261    HA   TYR  34           HA       TYR  34  -9.442  -1.959  10.057
  262    HB2  TYR  34           HB2      TYR  34  -8.303  -4.492  11.300
  263    HB3  TYR  34           HB3      TYR  34  -9.136  -3.213  12.165
  264    HD1  TYR  34           HD2      TYR  34 -11.275  -3.207   9.509
  265    HD2  TYR  34           HD1      TYR  34  -9.875  -5.965  12.530
  266    HE1  TYR  34           HE2      TYR  34 -13.405  -4.434   9.379
  267    HE2  TYR  34           HE1      TYR  34 -12.005  -7.215  12.376
  268    HH   TYR  34           HH       TYR  34 -14.662  -6.232  10.162
  269    H    TYR  35           H        TYR  35  -6.262  -3.702   9.993
  270    HA   TYR  35           HA       TYR  35  -4.997  -1.810  11.762
  271    HB2  TYR  35           HB2      TYR  35  -4.252  -4.173  11.354
  272    HB3  TYR  35           HB3      TYR  35  -3.823  -3.737   9.703
  273    HD1  TYR  35           HD1      TYR  35  -2.905  -3.411  13.272
  274    HD2  TYR  35           HD2      TYR  35  -1.815  -2.402   9.219
  275    HE1  TYR  35           HE1      TYR  35  -0.642  -2.771  14.043
  276    HE2  TYR  35           HE2      TYR  35   0.443  -1.756   9.976
  277    HH   TYR  35           HH       TYR  35   1.895  -1.564  11.795
  278    H    LEU  36           H        LEU  36  -5.276  -2.025   8.161
  279    HA   LEU  36           HA       LEU  36  -3.458   0.105   7.625
  280    HB2  LEU  36           HB2      LEU  36  -5.543  -1.386   6.084
  281    HB3  LEU  36           HB3      LEU  36  -5.301   0.277   5.594
  282    HG   LEU  36           HG       LEU  36  -2.971  -0.012   5.181
  283   HD11  LEU  36          HD11      LEU  36  -3.282  -2.833   6.258
  284   HD12  LEU  36          HD12      LEU  36  -1.891  -2.289   5.283
  285   HD13  LEU  36          HD13      LEU  36  -2.203  -1.563   6.858
  286   HD21  LEU  36          HD21      LEU  36  -4.674  -0.696   3.460
  287   HD22  LEU  36          HD22      LEU  36  -3.141  -1.560   3.278
  288   HD23  LEU  36          HD23      LEU  36  -4.533  -2.371   4.024
  289    H    ASP  37           H        ASP  37  -7.095   0.082   8.055
  290    HA   ASP  37           HA       ASP  37  -7.338   2.914   7.834
  291    HB2  ASP  37           HB2      ASP  37  -9.409   1.629   8.110
  292    HB3  ASP  37           HB3      ASP  37  -8.880   1.010   9.664
  293    H    ASP  38           H        ASP  38  -6.551   0.834  10.747
  294    HA   ASP  38           HA       ASP  38  -6.799   3.188  12.114
  295    HB2  ASP  38           HB2      ASP  38  -7.011   1.019  13.249
  296    HB3  ASP  38           HB3      ASP  38  -5.245   1.020  13.429
  297    H    THR  39           H        THR  39  -4.128   2.095  10.340
  298    HA   THR  39           HA       THR  39  -2.094   3.692  11.762
  299    HB   THR  39           HB       THR  39  -2.021   2.222   9.088
  300    HG1  THR  39           HG1      THR  39  -2.452   0.734  10.659
  301   HG21  THR  39          HG21      THR  39   0.228   2.997  10.993
  302   HG22  THR  39          HG22      THR  39   0.395   2.296   9.369
  303   HG23  THR  39          HG23      THR  39  -0.243   3.945   9.572
  304    H    LEU  40           H        LEU  40  -3.940   3.767   8.681
  305    HA   LEU  40           HA       LEU  40  -2.989   6.239   7.685
  306    HB2  LEU  40           HB2      LEU  40  -5.714   4.940   7.371
  307    HB3  LEU  40           HB3      LEU  40  -5.093   6.237   6.359
  308    HG   LEU  40           HG       LEU  40  -3.698   3.544   6.524
  309   HD11  LEU  40          HD11      LEU  40  -5.867   4.394   4.545
  310   HD12  LEU  40          HD12      LEU  40  -4.945   2.873   4.502
  311   HD13  LEU  40          HD13      LEU  40  -6.058   3.187   5.834
  312   HD21  LEU  40          HD21      LEU  40  -3.641   5.664   4.365
  313   HD22  LEU  40          HD22      LEU  40  -2.328   5.228   5.491
  314   HD23  LEU  40          HD23      LEU  40  -2.880   4.068   4.291
  315    H    GLU  41           H        GLU  41  -3.620   8.323   8.052
  316    HA   GLU  41           HA       GLU  41  -5.954   8.893   9.820
  317    HB2  GLU  41           HB2      GLU  41  -3.232  10.239   9.687
  318    HB3  GLU  41           HB3      GLU  41  -4.630  10.944  10.508
  319    HG2  GLU  41           HG2      GLU  41  -3.463   8.214  11.185
  320    HG3  GLU  41           HG3      GLU  41  -3.039   9.706  12.008
  321    H    PHE  42           H        PHE  42  -6.617   8.458   7.412
  322    HA   PHE  42           HA       PHE  42  -6.614  10.621   5.543
  323    HB2  PHE  42           HB2      PHE  42  -8.571   9.373   4.608
  324    HB3  PHE  42           HB3      PHE  42  -7.156   8.395   4.859
  325    HD1  PHE  42           HD2      PHE  42 -10.399   9.346   6.560
  326    HD2  PHE  42           HD1      PHE  42  -7.426   6.287   5.863
  327    HE1  PHE  42           HE2      PHE  42 -11.835   7.685   7.692
  328    HE2  PHE  42           HE1      PHE  42  -8.877   4.633   7.002
  329    HZ   PHE  42           HZ       PHE  42 -11.092   5.326   7.900
  330    HA   PRO  43           HA       PRO  43  -8.891  11.326   4.043
  331    HB2  PRO  43           HB2      PRO  43  -9.425  13.930   3.427
  332    HB3  PRO  43           HB3      PRO  43 -10.677  12.771   3.959
  333    HG2  PRO  43           HG2      PRO  43  -9.207  14.802   5.657
  334    HG3  PRO  43           HG3      PRO  43 -10.974  14.505   5.561
  335    HD2  PRO  43           HD2      PRO  43  -9.461  13.395   7.520
  336    HD3  PRO  43           HD3      PRO  43 -10.789  12.470   6.760
  337    H    PHE  44           H        PHE  44  -7.365  11.955   2.397
  338    HA   PHE  44           HA       PHE  44  -5.321  13.933   3.060
  339    HB2  PHE  44           HB2      PHE  44  -3.414  12.469   2.774
  340    HB3  PHE  44           HB3      PHE  44  -4.351  11.994   4.171
  341    HD1  PHE  44           HD1      PHE  44  -3.665  11.111   0.605
  342    HD2  PHE  44           HD2      PHE  44  -4.991   9.690   4.432
  343    HE1  PHE  44           HE1      PHE  44  -3.568   8.820  -0.250
  344    HE2  PHE  44           HE2      PHE  44  -4.952   7.370   3.573
  345    HZ   PHE  44           HZ       PHE  44  -4.229   6.909   1.235
  346    H    MET  45           H        MET  45  -3.852  14.299   1.120
  347    HA   MET  45           HA       MET  45  -5.437  13.991  -1.364
  348    HB2  MET  45           HB2      MET  45  -4.456  16.203  -0.771
  349    HB3  MET  45           HB3      MET  45  -2.842  15.476  -0.692
  350    HG2  MET  45           HG2      MET  45  -3.026  14.885  -3.109
  351    HG3  MET  45           HG3      MET  45  -4.594  15.688  -3.163
  352    HE1  MET  45           HE1      MET  45  -3.804  17.180  -5.205
  353    HE2  MET  45           HE2      MET  45  -2.183  17.907  -5.283
  354    HE3  MET  45           HE3      MET  45  -2.370  16.139  -5.145
  355    H    GLY  46           H        GLY  46  -4.679  12.726  -3.159
  356    HA2  GLY  46           HA2      GLY  46  -1.984  11.597  -3.022
  357    HA3  GLY  46           HA3      GLY  46  -3.297  10.412  -2.960
  358    H    LYS  47           H        LYS  47  -1.542  10.284  -4.968
  359    HA   LYS  47           HA       LYS  47  -3.028  11.330  -7.338
  360    HB2  LYS  47           HB2      LYS  47  -0.396  11.569  -7.189
  361    HB3  LYS  47           HB3      LYS  47  -0.368   9.833  -7.426
  362    HG2  LYS  47           HG2      LYS  47  -0.118  10.709  -9.601
  363    HG3  LYS  47           HG3      LYS  47  -1.814  10.250  -9.536
  364    HD2  LYS  47           HD2      LYS  47  -1.878  12.399 -10.531
  365    HD3  LYS  47           HD3      LYS  47  -2.281  12.713  -8.859
  366    HE2  LYS  47           HE2      LYS  47  -0.764  14.394  -9.291
  367    HE3  LYS  47           HE3      LYS  47   0.248  13.182  -8.499
  368    HZ1  LYS  47           HZ1      LYS  47   1.374  13.973 -10.426
  369    HZ2  LYS  47           HZ2      LYS  47   0.892  12.457 -10.829
  370    HZ3  LYS  47           HZ3      LYS  47   0.086  13.763 -11.396
  371    H    TRP  48           H        TRP  48  -4.293   9.887  -8.377
  372    HA   TRP  48           HA       TRP  48  -4.306   7.034  -7.558
  373    HB2  TRP  48           HB2      TRP  48  -6.447   8.341  -7.813
  374    HB3  TRP  48           HB3      TRP  48  -6.064   8.590  -9.502
  375    HD1  TRP  48           HD1      TRP  48  -5.089   5.151  -9.018
  376    HE1  TRP  48           HE1      TRP  48  -6.908   3.507  -9.614
  377    HE3  TRP  48           HE3      TRP  48  -9.078   8.355  -8.954
  378    HZ2  TRP  48           HZ2      TRP  48  -9.790   3.551 -10.061
  379    HZ3  TRP  48           HZ3      TRP  48 -11.368   7.505  -9.396
  380    HH2  TRP  48           HH2      TRP  48 -11.730   5.111  -9.962
  381    H    LYS  49           H        LYS  49  -2.624   5.966  -8.560
  382    HA   LYS  49           HA       LYS  49  -1.639   6.838 -11.220
  383    HB2  LYS  49           HB2      LYS  49  -0.427   5.252  -8.913
  384    HB3  LYS  49           HB3      LYS  49   0.290   5.289 -10.531
  385    HG2  LYS  49           HG2      LYS  49   0.603   7.677 -10.454
  386    HG3  LYS  49           HG3      LYS  49  -0.321   7.824  -8.959
  387    HD2  LYS  49           HD2      LYS  49   2.079   8.047  -8.580
  388    HD3  LYS  49           HD3      LYS  49   1.395   6.672  -7.701
  389    HE2  LYS  49           HE2      LYS  49   2.317   5.092  -9.274
  390    HE3  LYS  49           HE3      LYS  49   2.817   6.384 -10.380
  391    HZ1  LYS  49           HZ1      LYS  49   3.898   6.111  -7.626
  392    HZ2  LYS  49           HZ2      LYS  49   4.626   5.474  -8.958
  393    HZ3  LYS  49           HZ3      LYS  49   4.449   7.088  -8.815
  394    H    LYS  50           H        LYS  50  -3.793   5.990 -11.816
  395    HA   LYS  50           HA       LYS  50  -4.606   3.305 -11.338
  396    HB2  LYS  50           HB2      LYS  50  -6.084   5.242 -12.038
  397    HB3  LYS  50           HB3      LYS  50  -5.413   5.082 -13.669
  398    HG2  LYS  50           HG2      LYS  50  -6.135   2.617 -13.554
  399    HG3  LYS  50           HG3      LYS  50  -7.037   3.020 -12.098
  400    HD2  LYS  50           HD2      LYS  50  -8.473   4.517 -13.304
  401    HD3  LYS  50           HD3      LYS  50  -7.422   4.513 -14.728
  402    HE2  LYS  50           HE2      LYS  50  -8.997   2.108 -13.694
  403    HE3  LYS  50           HE3      LYS  50  -9.445   3.130 -15.064
  404    HZ1  LYS  50           HZ1      LYS  50  -8.343   1.233 -15.924
  405    HZ2  LYS  50           HZ2      LYS  50  -7.263   2.475 -16.071
  406    HZ3  LYS  50           HZ3      LYS  50  -7.061   1.369 -14.904
  407    H    LYS  51           H        LYS  51  -3.749   1.423 -12.101
  408    HA   LYS  51           HA       LYS  51  -2.057   1.267 -14.473
  409    HB2  LYS  51           HB2      LYS  51  -3.461  -0.720 -12.636
  410    HB3  LYS  51           HB3      LYS  51  -2.649  -1.272 -14.096
  411    HG2  LYS  51           HG2      LYS  51  -0.519  -0.623 -13.380
  412    HG3  LYS  51           HG3      LYS  51  -1.133   0.528 -12.196
  413    HD2  LYS  51           HD2      LYS  51  -1.542  -2.461 -11.847
  414    HD3  LYS  51           HD3      LYS  51  -0.098  -1.598 -11.268
  415    HE2  LYS  51           HE2      LYS  51  -1.554   0.007 -10.032
  416    HE3  LYS  51           HE3      LYS  51  -2.977  -0.902 -10.533
  417    HZ1  LYS  51           HZ1      LYS  51  -0.804  -1.983  -8.843
  418    HZ2  LYS  51           HZ2      LYS  51  -2.245  -1.427  -8.304
  419    HZ3  LYS  51           HZ3      LYS  51  -2.189  -2.771  -9.252
  420    H    SER  52           H        SER  52  -2.764   1.136 -16.563
  421    HA   SER  52           HA       SER  52  -5.611   0.558 -17.185
  422    HB2  SER  52           HB2      SER  52  -4.027   3.055 -17.949
  423    HB3  SER  52           HB3      SER  52  -5.704   2.704 -18.390
  424    HG   SER  52           HG       SER  52  -4.613   3.458 -15.927
  425    H    ARG  53           H        ARG  53  -5.657   1.202 -19.790
  426    HA   ARG  53           HA       ARG  53  -5.199   0.606 -21.886
  427    HB2  ARG  53           HB2      ARG  53  -3.132   1.937 -21.226
  428    HB3  ARG  53           HB3      ARG  53  -2.296   0.400 -21.041
  429    HG2  ARG  53           HG2      ARG  53  -2.710  -0.067 -23.477
  430    HG3  ARG  53           HG3      ARG  53  -3.504   1.512 -23.613
  431    HD2  ARG  53           HD2      ARG  53  -1.429   2.639 -22.979
  432    HD3  ARG  53           HD3      ARG  53  -0.644   1.099 -22.622
  433    HE   ARG  53           HE       ARG  53  -1.041   2.329 -25.218
  434   HH11  ARG  53          HH21      ARG  53  -0.484  -0.802 -23.575
  435   HH12  ARG  53          HH22      ARG  53   0.289  -1.513 -24.949
  436   HH21  ARG  53          HH11      ARG  53  -0.044   1.336 -27.031
  437   HH22  ARG  53          HH12      ARG  53   0.519  -0.288 -26.951
  438    H    LYS  54           H        LYS  54  -5.265  -1.612 -19.581
  439    HA   LYS  54           HA       LYS  54  -5.066  -3.835 -19.323
  440    HB2  LYS  54           HB2      LYS  54  -5.405  -4.044 -22.340
  441    HB3  LYS  54           HB3      LYS  54  -5.673  -5.319 -21.171
  442    HG2  LYS  54           HG2      LYS  54  -7.303  -2.758 -21.448
  443    HG3  LYS  54           HG3      LYS  54  -7.780  -4.363 -21.973
  444    HD2  LYS  54           HD2      LYS  54  -7.357  -3.505 -19.076
  445    HD3  LYS  54           HD3      LYS  54  -8.906  -3.705 -19.899
  446    HE2  LYS  54           HE2      LYS  54  -8.393  -6.116 -20.283
  447    HE3  LYS  54           HE3      LYS  54  -6.871  -5.927 -19.405
  448    HZ1  LYS  54           HZ1      LYS  54  -8.607  -6.806 -17.985
  449    HZ2  LYS  54           HZ2      LYS  54  -8.161  -5.342 -17.431
  450    HZ3  LYS  54           HZ3      LYS  54  -9.568  -5.519 -18.247
  451    H    THR  55           H        THR  55  -2.612  -2.166 -19.932
  452    HA   THR  55           HA       THR  55  -0.774  -4.481 -20.149
  453    HB   THR  55           HB       THR  55   0.813  -2.811 -21.334
  454    HG1  THR  55           HG1      THR  55  -0.328  -0.901 -21.206
  455   HG21  THR  55          HG21      THR  55  -0.290  -4.782 -22.419
  456   HG22  THR  55          HG22      THR  55  -1.639  -3.722 -22.892
  457   HG23  THR  55          HG23      THR  55  -0.002  -3.428 -23.516
  458    H    SER  56           H        SER  56  -2.085  -2.826 -17.943
  459    HA   SER  56           HA       SER  56  -1.647  -1.795 -16.032
  460    HB2  SER  56           HB2      SER  56   1.017  -3.252 -16.141
  461    HB3  SER  56           HB3      SER  56   0.192  -2.649 -14.694
  462    HG   SER  56           HG       SER  56  -0.163  -4.897 -15.070
  463    H    THR  57           H        THR  57  -0.948  -0.310 -18.469
  464    HA   THR  57           HA       THR  57   1.448   1.227 -17.971
  465    HB   THR  57           HB       THR  57  -0.970   1.847 -19.721
  466    HG1  THR  57           HG1      THR  57   1.316   0.249 -20.267
  467   HG21  THR  57          HG21      THR  57   0.685   2.952 -21.187
  468   HG22  THR  57          HG22      THR  57   0.638   3.703 -19.584
  469   HG23  THR  57          HG23      THR  57   1.971   2.606 -20.009
  470    H    ILE  58           H        ILE  58   1.589   2.967 -16.572
  471    HA   ILE  58           HA       ILE  58  -0.671   3.490 -14.841
  472    HB   ILE  58           HB       ILE  58   2.099   4.708 -15.048
  473   HG12  ILE  58          HG12      ILE  58   1.974   2.280 -14.374
  474   HG13  ILE  58          HG13      ILE  58   2.736   3.344 -13.203
  475   HG21  ILE  58          HG21      ILE  58  -0.046   5.212 -12.951
  476   HG22  ILE  58          HG22      ILE  58   1.677   5.596 -12.720
  477   HG23  ILE  58          HG23      ILE  58   0.756   6.398 -13.992
  478   HD11  ILE  58          HD11      ILE  58   1.227   1.610 -12.215
  479   HD12  ILE  58          HD12      ILE  58   0.794   3.261 -11.755
  480   HD13  ILE  58          HD13      ILE  58  -0.153   2.409 -12.996
  481    H    GLU  59           H        GLU  59  -2.080   5.105 -14.884
  482    HA   GLU  59           HA       GLU  59  -1.633   7.503 -16.576
  483    HB2  GLU  59           HB2      GLU  59  -4.211   5.930 -16.075
  484    HB3  GLU  59           HB3      GLU  59  -4.169   7.552 -16.755
  485    HG2  GLU  59           HG2      GLU  59  -2.929   5.058 -17.996
  486    HG3  GLU  59           HG3      GLU  59  -4.434   5.822 -18.492
  487    H    GLU  60           H        GLU  60  -2.573   9.428 -15.445
  488    HA   GLU  60           HA       GLU  60  -2.574   8.981 -12.488
  489    HB2  GLU  60           HB2      GLU  60  -1.121  11.072 -14.141
  490    HB3  GLU  60           HB3      GLU  60  -1.319  11.134 -12.385
  491    HG2  GLU  60           HG2      GLU  60  -0.172   8.940 -12.178
  492    HG3  GLU  60           HG3      GLU  60   0.084   8.912 -13.925
  493    H    LYS  61           H        LYS  61  -4.089   9.967 -11.308
  494    HA   LYS  61           HA       LYS  61  -5.416  12.417 -12.390
  495    HB2  LYS  61           HB2      LYS  61  -6.812  10.029 -11.090
  496    HB3  LYS  61           HB3      LYS  61  -7.556  11.610 -11.342
  497    HG2  LYS  61           HG2      LYS  61  -7.276  11.390 -13.779
  498    HG3  LYS  61           HG3      LYS  61  -6.533   9.797 -13.578
  499    HD2  LYS  61           HD2      LYS  61  -9.372  10.512 -12.731
  500    HD3  LYS  61           HD3      LYS  61  -8.926   9.700 -14.240
  501    HE2  LYS  61           HE2      LYS  61  -7.902   7.835 -12.932
  502    HE3  LYS  61           HE3      LYS  61  -8.401   8.623 -11.432
  503    HZ1  LYS  61           HZ1      LYS  61 -10.716   8.399 -12.185
  504    HZ2  LYS  61           HZ2      LYS  61 -10.231   7.601 -13.528
  505    HZ3  LYS  61           HZ3      LYS  61  -9.989   6.947 -12.047
  506    H    THR  62           H        THR  62  -5.944  13.860 -10.627
  507    HA   THR  62           HA       THR  62  -4.359  13.265  -8.172
  508    HB   THR  62           HB       THR  62  -5.192  15.955  -9.318
  509    HG1  THR  62           HG1      THR  62  -3.256  15.987 -10.343
  510   HG21  THR  62          HG21      THR  62  -4.530  15.951  -6.940
  511   HG22  THR  62          HG22      THR  62  -3.006  15.130  -7.348
  512   HG23  THR  62          HG23      THR  62  -3.322  16.784  -7.930
  513    H    VAL  63           H        VAL  63  -5.497  12.959  -6.285
  514    HA   VAL  63           HA       VAL  63  -8.339  13.814  -6.260
  515    HB   VAL  63           HB       VAL  63  -9.028  11.605  -5.569
  516   HG11  VAL  63          HG11      VAL  63  -8.931  10.426  -7.657
  517   HG12  VAL  63          HG12      VAL  63  -9.043  12.151  -8.012
  518   HG13  VAL  63          HG13      VAL  63  -7.488  11.314  -8.179
  519   HG21  VAL  63          HG21      VAL  63  -7.598   9.623  -5.739
  520   HG22  VAL  63          HG22      VAL  63  -6.194  10.626  -6.155
  521   HG23  VAL  63          HG23      VAL  63  -6.933  10.742  -4.545
  522    H    GLU  64           H        GLU  64  -9.310  13.811  -4.252
  523    HA   GLU  64           HA       GLU  64  -7.500  13.863  -1.869
  524    HB2  GLU  64           HB2      GLU  64  -8.724  15.987  -2.313
  525    HB3  GLU  64           HB3      GLU  64 -10.259  15.113  -2.267
  526    HG2  GLU  64           HG2      GLU  64  -9.858  14.471   0.081
  527    HG3  GLU  64           HG3      GLU  64  -8.246  15.186   0.030
  528    H    VAL  65           H        VAL  65  -7.670  12.023  -0.667
  529    HA   VAL  65           HA       VAL  65  -9.859  10.142  -1.236
  530    HB   VAL  65           HB       VAL  65  -8.717   8.486  -0.257
  531   HG11  VAL  65          HG11      VAL  65  -7.426   9.355  -2.239
  532   HG12  VAL  65          HG12      VAL  65  -6.330  10.169  -1.103
  533   HG13  VAL  65          HG13      VAL  65  -6.463   8.402  -1.099
  534   HG21  VAL  65          HG21      VAL  65  -6.962  10.277   1.393
  535   HG22  VAL  65          HG22      VAL  65  -8.344   9.304   1.968
  536   HG23  VAL  65          HG23      VAL  65  -6.920   8.507   1.321
  537    H    LEU  66           H        LEU  66 -11.553   9.806   0.128
  538    HA   LEU  66           HA       LEU  66 -11.811  11.712   2.384
  539    HB2  LEU  66           HB2      LEU  66 -13.853   9.813   1.161
  540    HB3  LEU  66           HB3      LEU  66 -14.149  11.012   2.402
  541    HG   LEU  66           HG       LEU  66 -14.983  11.999   0.496
  542   HD11  LEU  66          HD11      LEU  66 -13.650  13.965   0.027
  543   HD12  LEU  66          HD12      LEU  66 -13.467  13.549   1.739
  544   HD13  LEU  66          HD13      LEU  66 -12.167  13.169   0.581
  545   HD21  LEU  66          HD21      LEU  66 -14.002  12.118  -1.677
  546   HD22  LEU  66          HD22      LEU  66 -12.487  11.404  -1.129
  547   HD23  LEU  66          HD23      LEU  66 -13.973  10.425  -1.160
  548    H    GLY  67           H        GLY  67 -11.297   8.256   1.808
  549    HA2  GLY  67           HA2      GLY  67 -10.295   7.557   4.188
  550    HA3  GLY  67           HA3      GLY  67 -12.047   7.384   4.458
  551    H    MET  68           H        MET  68 -10.791   5.123   4.660
  552    HA   MET  68           HA       MET  68 -10.494   3.621   2.195
  553    HB2  MET  68           HB2      MET  68 -10.999   2.658   5.030
  554    HB3  MET  68           HB3      MET  68 -10.722   1.618   3.621
  555    HG2  MET  68           HG2      MET  68  -8.529   2.845   3.245
  556    HG3  MET  68           HG3      MET  68  -8.786   3.632   4.801
  557    HE1  MET  68           HE1      MET  68  -7.539  -0.735   4.032
  558    HE2  MET  68           HE2      MET  68  -8.972  -0.047   3.232
  559    HE3  MET  68           HE3      MET  68  -7.362   0.638   2.918
  560    H    ALA  69           H        ALA  69 -11.943   2.147   1.295
  561    HA   ALA  69           HA       ALA  69 -14.668   3.050   1.099
  562    HB1  ALA  69           HB1      ALA  69 -14.878   1.153  -0.450
  563    HB2  ALA  69           HB2      ALA  69 -13.337   1.968  -0.737
  564    HB3  ALA  69           HB3      ALA  69 -13.393   0.442   0.195
  565    HA   PRO  70           HA       PRO  70 -16.832   0.506   4.115
  566    HB2  PRO  70           HB2      PRO  70 -18.262  -0.746   1.759
  567    HB3  PRO  70           HB3      PRO  70 -18.948  -0.163   3.310
  568    HG2  PRO  70           HG2      PRO  70 -19.150   1.367   1.088
  569    HG3  PRO  70           HG3      PRO  70 -18.682   2.125   2.647
  570    HD2  PRO  70           HD2      PRO  70 -16.905   1.282   0.353
  571    HD3  PRO  70           HD3      PRO  70 -16.862   2.793   1.313
  572    H    ASP  71           H        ASP  71 -16.816  -1.605   4.980
  573    HA   ASP  71           HA       ASP  71 -14.619  -3.194   4.415
  574    HB2  ASP  71           HB2      ASP  71 -15.362  -4.658   6.046
  575    HB3  ASP  71           HB3      ASP  71 -16.025  -3.108   6.544
  576    H    ASP  72           H        ASP  72 -17.817  -3.362   2.951
  577    HA   ASP  72           HA       ASP  72 -17.717  -6.038   1.995
  578    HB2  ASP  72           HB2      ASP  72 -19.779  -4.697   2.108
  579    HB3  ASP  72           HB3      ASP  72 -19.155  -3.614   0.859
  580    H    GLU  73           H        GLU  73 -16.248  -3.071   0.808
  581    HA   GLU  73           HA       GLU  73 -15.465  -4.238  -1.802
  582    HB2  GLU  73           HB2      GLU  73 -14.645  -1.650  -0.399
  583    HB3  GLU  73           HB3      GLU  73 -14.155  -2.129  -2.016
  584    HG2  GLU  73           HG2      GLU  73 -17.026  -1.580  -1.151
  585    HG3  GLU  73           HG3      GLU  73 -15.979  -0.460  -2.005
  586    H    CYS  74           H        CYS  74 -14.094  -3.366   1.384
  587    HA   CYS  74           HA       CYS  74 -11.437  -4.106   0.723
  588    HB2  CYS  74           HB2      CYS  74 -12.732  -3.599   3.416
  589    HB3  CYS  74           HB3      CYS  74 -10.991  -3.742   3.127
  590    HG   CYS  74           HG       CYS  74 -11.817  -1.208   3.416
  591    H    LEU  75           H        LEU  75 -13.704  -6.295   0.714
  592    HA   LEU  75           HA       LEU  75 -12.389  -8.389   2.339
  593    HB2  LEU  75           HB2      LEU  75 -14.911  -8.214   0.672
  594    HB3  LEU  75           HB3      LEU  75 -14.261  -9.790   1.100
  595    HG   LEU  75           HG       LEU  75 -14.822  -7.701   3.227
  596   HD11  LEU  75          HD11      LEU  75 -16.892  -8.149   1.964
  597   HD12  LEU  75          HD12      LEU  75 -16.691  -9.891   2.240
  598   HD13  LEU  75          HD13      LEU  75 -16.973  -8.790   3.612
  599   HD21  LEU  75          HD21      LEU  75 -14.605 -10.738   3.368
  600   HD22  LEU  75          HD22      LEU  75 -13.340  -9.609   3.883
  601   HD23  LEU  75          HD23      LEU  75 -14.889  -9.635   4.730
  602    H    LYS  76           H        LYS  76 -12.039  -7.043  -0.805
  603    HA   LYS  76           HA       LYS  76 -10.950  -9.634  -1.879
  604    HB2  LYS  76           HB2      LYS  76 -12.381  -7.372  -3.330
  605    HB3  LYS  76           HB3      LYS  76 -11.665  -8.796  -4.095
  606    HG2  LYS  76           HG2      LYS  76 -13.203 -10.268  -2.813
  607    HG3  LYS  76           HG3      LYS  76 -13.961  -8.839  -2.083
  608    HD2  LYS  76           HD2      LYS  76 -14.583  -8.014  -4.340
  609    HD3  LYS  76           HD3      LYS  76 -13.894  -9.466  -5.072
  610    HE2  LYS  76           HE2      LYS  76 -16.177  -9.430  -3.040
  611    HE3  LYS  76           HE3      LYS  76 -16.395  -9.500  -4.789
  612    HZ1  LYS  76           HZ1      LYS  76 -15.218 -11.619  -4.799
  613    HZ2  LYS  76           HZ2      LYS  76 -15.037 -11.577  -3.172
  614    HZ3  LYS  76           HZ3      LYS  76 -16.521 -11.690  -3.829
  615    H    ASP  77           H        ASP  77 -10.480  -6.114  -1.689
  616    HA   ASP  77           HA       ASP  77  -7.624  -6.326  -1.976
  617    HB2  ASP  77           HB2      ASP  77  -8.404  -6.275  -4.393
  618    HB3  ASP  77           HB3      ASP  77  -9.189  -4.736  -4.061
  619    H    MET  78           H        MET  78  -6.850  -3.869  -1.610
  620    HA   MET  78           HA       MET  78  -8.698  -2.718   0.435
  621    HB2  MET  78           HB2      MET  78  -5.834  -2.059  -0.335
  622    HB3  MET  78           HB3      MET  78  -6.770  -1.181   0.888
  623    HG2  MET  78           HG2      MET  78  -6.063  -4.134   0.969
  624    HG3  MET  78           HG3      MET  78  -5.254  -2.858   1.856
  625    HE1  MET  78           HE1      MET  78  -8.759  -5.365   3.154
  626    HE2  MET  78           HE2      MET  78  -8.765  -4.807   1.472
  627    HE3  MET  78           HE3      MET  78  -7.378  -5.724   2.109
  628    H    TYR  79           H        TYR  79  -9.698  -0.696   0.184
  629    HA   TYR  79           HA       TYR  79  -9.392   0.728  -2.404
  630    HB2  TYR  79           HB2      TYR  79 -11.947  -0.416  -1.214
  631    HB3  TYR  79           HB3      TYR  79 -11.941   0.837  -2.440
  632    HD1  TYR  79           HD1      TYR  79 -11.340   0.357  -4.774
  633    HD2  TYR  79           HD2      TYR  79 -11.531  -2.735  -1.777
  634    HE1  TYR  79           HE1      TYR  79 -11.510  -1.356  -6.556
  635    HE2  TYR  79           HE2      TYR  79 -11.692  -4.452  -3.535
  636    HH   TYR  79           HH       TYR  79 -11.762  -4.870  -5.839
  637    H    VAL  80           H        VAL  80 -10.331   2.819  -2.389
  638    HA   VAL  80           HA       VAL  80 -10.888   4.084   0.228
  639    HB   VAL  80           HB       VAL  80  -9.333   5.976  -0.610
  640   HG11  VAL  80          HG11      VAL  80  -8.815   4.716   1.387
  641   HG12  VAL  80          HG12      VAL  80  -8.109   3.389   0.430
  642   HG13  VAL  80          HG13      VAL  80  -7.343   4.995   0.466
  643   HG21  VAL  80          HG21      VAL  80  -8.871   5.036  -2.878
  644   HG22  VAL  80          HG22      VAL  80  -7.400   5.352  -1.949
  645   HG23  VAL  80          HG23      VAL  80  -7.992   3.687  -2.132
  646    H    GLU  81           H        GLU  81 -12.220   5.852   0.072
  647    HA   GLU  81           HA       GLU  81 -13.660   6.241  -2.489
  648    HB2  GLU  81           HB2      GLU  81 -14.067   7.374   0.317
  649    HB3  GLU  81           HB3      GLU  81 -15.009   7.849  -1.105
  650    HG2  GLU  81           HG2      GLU  81 -15.703   5.461  -1.412
  651    HG3  GLU  81           HG3      GLU  81 -14.853   5.044   0.076
  652    H    VAL  82           H        VAL  82 -13.293   8.096  -3.723
  653    HA   VAL  82           HA       VAL  82 -11.347  10.093  -2.721
  654    HB   VAL  82           HB       VAL  82  -9.941   9.867  -4.637
  655   HG11  VAL  82          HG11      VAL  82  -8.812   7.802  -4.225
  656   HG12  VAL  82          HG12      VAL  82  -9.486   8.354  -2.685
  657   HG13  VAL  82          HG13      VAL  82 -10.278   7.046  -3.577
  658   HG21  VAL  82          HG21      VAL  82 -10.132   8.049  -6.300
  659   HG22  VAL  82          HG22      VAL  82 -11.694   7.568  -5.602
  660   HG23  VAL  82          HG23      VAL  82 -11.500   9.155  -6.386
  661    H    ALA  83           H        ALA  83 -11.427  12.119  -3.812
  662    HA   ALA  83           HA       ALA  83 -13.676  12.484  -5.749
  663    HB1  ALA  83           HB1      ALA  83 -12.827  14.315  -3.461
  664    HB2  ALA  83           HB2      ALA  83 -14.004  14.722  -4.730
  665    HB3  ALA  83           HB3      ALA  83 -14.360  13.414  -3.590
  666    H    ASP  84           H        ASP  84 -13.133  13.715  -7.501
  667    HA   ASP  84           HA       ASP  84 -10.307  13.885  -8.144
  668    HB2  ASP  84           HB2      ASP  84 -11.913  13.329  -9.890
  669    HB3  ASP  84           HB3      ASP  84 -12.834  14.807  -9.556
  670    H    ILE  85           H        ILE  85  -8.937  15.553  -7.852
  671    HA   ILE  85           HA       ILE  85  -9.965  18.112  -6.809
  672    HB   ILE  85           HB       ILE  85  -7.144  17.103  -7.268
  673   HG12  ILE  85          HG12      ILE  85  -8.717  17.440  -4.661
  674   HG13  ILE  85          HG13      ILE  85  -8.465  15.903  -5.467
  675   HG21  ILE  85          HG21      ILE  85  -6.388  19.001  -5.896
  676   HG22  ILE  85          HG22      ILE  85  -7.249  19.609  -7.286
  677   HG23  ILE  85          HG23      ILE  85  -8.065  19.552  -5.702
  678   HD11  ILE  85          HD11      ILE  85  -6.003  16.150  -5.196
  679   HD12  ILE  85          HD12      ILE  85  -6.279  17.630  -4.238
  680   HD13  ILE  85          HD13      ILE  85  -6.880  16.091  -3.660
  681    H    GLY  86           H        GLY  86  -9.021  16.675  -9.882
  682    HA2  GLY  86           HA2      GLY  86  -7.939  18.867 -11.266
  683    HA3  GLY  86           HA3      GLY  86  -8.814  17.499 -11.974
  684    H    GLY  87           H        GLY  87 -11.385  17.827 -10.976
  685    HA2  GLY  87           HA2      GLY  87 -12.339  20.537 -10.923
  686    HA3  GLY  87           HA3      GLY  87 -12.560  19.830 -12.535
  687    H    LYS  88           H        LYS  88 -13.038  17.055 -11.329
  688    HA   LYS  88           HA       LYS  88 -15.929  17.469 -11.056
  689    HB2  LYS  88           HB2      LYS  88 -14.314  14.896 -11.227
  690    HB3  LYS  88           HB3      LYS  88 -16.072  15.043 -11.322
  691    HG2  LYS  88           HG2      LYS  88 -15.827  16.487 -13.348
  692    HG3  LYS  88           HG3      LYS  88 -14.080  16.218 -13.315
  693    HD2  LYS  88           HD2      LYS  88 -16.209  14.067 -13.656
  694    HD3  LYS  88           HD3      LYS  88 -15.211  14.769 -14.939
  695    HE2  LYS  88           HE2      LYS  88 -13.157  13.934 -13.768
  696    HE3  LYS  88           HE3      LYS  88 -14.189  13.163 -12.554
  697    HZ1  LYS  88           HZ1      LYS  88 -15.139  11.800 -14.322
  698    HZ2  LYS  88           HZ2      LYS  88 -14.183  12.508 -15.444
  699    HZ3  LYS  88           HZ3      LYS  88 -13.523  11.600 -14.265
  700    H    ASP  89           H        ASP  89 -14.460  18.477  -8.853
  701    HA   ASP  89           HA       ASP  89 -14.357  16.770  -6.575
  702    HB2  ASP  89           HB2      ASP  89 -13.226  18.940  -6.687
  703    HB3  ASP  89           HB3      ASP  89 -14.772  19.770  -6.861
  704    H    ASP  90           H        ASP  90 -17.023  18.290  -8.225
  705    HA   ASP  90           HA       ASP  90 -19.002  18.294  -6.177
  706    HB2  ASP  90           HB2      ASP  90 -19.122  19.556  -8.305
  707    HB3  ASP  90           HB3      ASP  90 -19.250  18.040  -9.199
  708    H    ASP  91           H        ASP  91 -17.436  15.584  -7.602
  709    HA   ASP  91           HA       ASP  91 -19.620  13.770  -6.768
  710    HB2  ASP  91           HB2      ASP  91 -19.702  14.158  -9.263
  711    HB3  ASP  91           HB3      ASP  91 -18.071  13.491  -9.367
  712    H    VAL  92           H        VAL  92 -18.719  11.473  -6.644
  713    HA   VAL  92           HA       VAL  92 -15.933  11.439  -5.626
  714    HB   VAL  92           HB       VAL  92 -18.300  10.421  -4.025
  715   HG11  VAL  92          HG11      VAL  92 -16.696  10.379  -2.136
  716   HG12  VAL  92          HG12      VAL  92 -16.172   9.331  -3.448
  717   HG13  VAL  92          HG13      VAL  92 -15.409  10.922  -3.231
  718   HG21  VAL  92          HG21      VAL  92 -16.831  13.066  -3.646
  719   HG22  VAL  92          HG22      VAL  92 -18.556  12.852  -4.021
  720   HG23  VAL  92          HG23      VAL  92 -17.936  12.342  -2.457
  721    H    TYR  93           H        TYR  93 -15.103   9.354  -5.518
  722    HA   TYR  93           HA       TYR  93 -16.415   7.212  -7.107
  723    HB2  TYR  93           HB2      TYR  93 -13.571   8.244  -7.460
  724    HB3  TYR  93           HB3      TYR  93 -14.407   7.079  -8.469
  725    HD1  TYR  93           HD1      TYR  93 -16.279   7.846  -9.992
  726    HD2  TYR  93           HD2      TYR  93 -13.802  10.625  -7.808
  727    HE1  TYR  93           HE1      TYR  93 -17.032   9.675 -11.478
  728    HE2  TYR  93           HE2      TYR  93 -14.560  12.469  -9.292
  729    HH   TYR  93           HH       TYR  93 -16.918  11.943 -11.948
  730    H    THR  94           H        THR  94 -14.622   5.343  -7.116
  731    HA   THR  94           HA       THR  94 -13.309   5.104  -4.455
  732    HB   THR  94           HB       THR  94 -14.659   2.716  -5.722
  733    HG1  THR  94           HG1      THR  94 -16.455   3.083  -4.528
  734   HG21  THR  94          HG21      THR  94 -12.943   2.355  -3.951
  735   HG22  THR  94          HG22      THR  94 -13.891   3.365  -2.839
  736   HG23  THR  94          HG23      THR  94 -14.551   1.824  -3.437
  737    H    ALA  95           H        ALA  95 -11.296   4.307  -4.576
  738    HA   ALA  95           HA       ALA  95 -10.241   3.336  -7.193
  739    HB1  ALA  95           HB1      ALA  95  -8.920   5.245  -5.200
  740    HB2  ALA  95           HB2      ALA  95  -8.151   4.566  -6.644
  741    HB3  ALA  95           HB3      ALA  95  -9.525   5.679  -6.811
  742    H    LYS  96           H        LYS  96  -8.426   1.847  -6.882
  743    HA   LYS  96           HA       LYS  96  -8.617   0.186  -4.468
  744    HB2  LYS  96           HB2      LYS  96  -6.742   0.194  -6.878
  745    HB3  LYS  96           HB3      LYS  96  -6.649  -0.956  -5.546
  746    HG2  LYS  96           HG2      LYS  96  -8.738  -1.941  -6.047
  747    HG3  LYS  96           HG3      LYS  96  -9.200  -0.661  -7.179
  748    HD2  LYS  96           HD2      LYS  96  -6.732  -2.358  -7.643
  749    HD3  LYS  96           HD3      LYS  96  -8.336  -2.921  -8.144
  750    HE2  LYS  96           HE2      LYS  96  -8.625  -1.232  -9.734
  751    HE3  LYS  96           HE3      LYS  96  -7.457  -0.153  -8.960
  752    HZ1  LYS  96           HZ1      LYS  96  -5.680  -1.450  -9.708
  753    HZ2  LYS  96           HZ2      LYS  96  -6.655  -2.639 -10.340
  754    HZ3  LYS  96           HZ3      LYS  96  -6.609  -1.142 -11.012
  755    H    LEU  97           H        LEU  97  -7.220   0.404  -2.740
  756    HA   LEU  97           HA       LEU  97  -5.522   2.739  -2.453
  757    HB2  LEU  97           HB2      LEU  97  -6.470   1.439  -0.512
  758    HB3  LEU  97           HB3      LEU  97  -5.440   0.080  -0.978
  759    HG   LEU  97           HG       LEU  97  -3.407   1.505  -0.583
  760   HD11  LEU  97          HD11      LEU  97  -5.461   3.504   0.472
  761   HD12  LEU  97          HD12      LEU  97  -3.720   3.599   0.766
  762   HD13  LEU  97          HD13      LEU  97  -4.330   3.759  -0.879
  763   HD21  LEU  97          HD21      LEU  97  -5.300   1.260   1.784
  764   HD22  LEU  97          HD22      LEU  97  -4.245  -0.022   1.139
  765   HD23  LEU  97          HD23      LEU  97  -3.531   1.424   1.859
  766    H    SER  98           H        SER  98  -5.235  -0.531  -3.673
  767    HA   SER  98           HA       SER  98  -2.439  -0.760  -4.030
  768    HB2  SER  98           HB2      SER  98  -4.775  -2.089  -5.480
  769    HB3  SER  98           HB3      SER  98  -3.138  -2.733  -5.332
  770    HG   SER  98           HG       SER  98  -4.896  -3.411  -3.704
  771    H    ASP  99           H        ASP  99  -4.392   1.529  -5.505
  772    HA   ASP  99           HA       ASP  99  -2.523   1.793  -7.808
  773    HB2  ASP  99           HB2      ASP  99  -5.562   1.949  -7.795
  774    HB3  ASP  99           HB3      ASP  99  -4.613   2.838  -8.968
  775    H    ILE 100           H        ILE 100  -3.104   3.022  -4.896
  776    HA   ILE 100           HA       ILE 100  -3.184   5.883  -5.751
  777    HB   ILE 100           HB       ILE 100  -4.509   4.369  -3.547
  778   HG12  ILE 100          HG12      ILE 100  -5.497   5.375  -5.733
  779   HG13  ILE 100          HG13      ILE 100  -6.403   5.463  -4.223
  780   HG21  ILE 100          HG21      ILE 100  -3.659   7.250  -3.069
  781   HG22  ILE 100          HG22      ILE 100  -4.888   6.357  -2.147
  782   HG23  ILE 100          HG23      ILE 100  -3.212   5.814  -2.123
  783   HD11  ILE 100          HD11      ILE 100  -4.759   7.762  -5.335
  784   HD12  ILE 100          HD12      ILE 100  -6.500   7.525  -5.599
  785   HD13  ILE 100          HD13      ILE 100  -5.892   7.813  -3.965
  786    H    GLU 101           H        GLU 101  -1.782   7.255  -4.845
  787    HA   GLU 101           HA       GLU 101   0.273   6.233  -2.953
  788    HB2  GLU 101           HB2      GLU 101   1.132   6.150  -5.306
  789    HB3  GLU 101           HB3      GLU 101   0.849   7.890  -5.453
  790    HG2  GLU 101           HG2      GLU 101   2.429   8.280  -3.558
  791    HG3  GLU 101           HG3      GLU 101   2.699   6.538  -3.434
  792    H    ALA 102           H        ALA 102   0.204   7.561  -1.179
  793    HA   ALA 102           HA       ALA 102  -1.437   9.955  -1.210
  794    HB1  ALA 102           HB1      ALA 102   0.469   8.881   0.912
  795    HB2  ALA 102           HB2      ALA 102  -0.715  10.195   1.122
  796    HB3  ALA 102           HB3      ALA 102  -1.281   8.565   0.811
  797    H    ILE 103           H        ILE 103  -0.812  12.060  -0.904
  798    HA   ILE 103           HA       ILE 103   2.022  12.768  -1.551
  799    HB   ILE 103           HB       ILE 103  -0.592  14.183  -2.187
  800   HG12  ILE 103          HG12      ILE 103   1.473  13.088  -4.152
  801   HG13  ILE 103          HG13      ILE 103   0.065  12.166  -3.654
  802   HG21  ILE 103          HG21      ILE 103   2.260  15.042  -2.853
  803   HG22  ILE 103          HG22      ILE 103   0.776  15.873  -3.368
  804   HG23  ILE 103          HG23      ILE 103   1.196  15.827  -1.667
  805   HD11  ILE 103          HD11      ILE 103  -1.434  13.966  -4.503
  806   HD12  ILE 103          HD12      ILE 103  -0.006  14.819  -5.142
  807   HD13  ILE 103          HD13      ILE 103  -0.431  13.222  -5.752
  808    H    ASP 104           H        ASP 104   3.078  13.902  -0.104
  809    HA   ASP 104           HA       ASP 104   3.660  14.904   1.814
  810    HB2  ASP 104           HB2      ASP 104   3.001  16.711   0.281
  811    HB3  ASP 104           HB3      ASP 104   1.387  16.730   0.994
  812    H    VAL 105           H        VAL 105   2.161  12.698   2.496
  813    HA   VAL 105           HA       VAL 105   0.179  13.578   4.500
  814    HB   VAL 105           HB       VAL 105  -0.223  11.849   2.663
  815   HG11  VAL 105          HG11      VAL 105   1.714  10.411   2.859
  816   HG12  VAL 105          HG12      VAL 105   1.302  10.024   4.536
  817   HG13  VAL 105          HG13      VAL 105   0.245   9.491   3.239
  818   HG21  VAL 105          HG21      VAL 105  -1.023  11.066   5.456
  819   HG22  VAL 105          HG22      VAL 105  -1.742  12.377   4.507
  820   HG23  VAL 105          HG23      VAL 105  -1.834  10.721   3.909
  821    H    ASP 106           H        ASP 106   0.169  12.037   6.562
  822    HA   ASP 106           HA       ASP 106   2.546  12.625   8.040
  823    HB2  ASP 106           HB2      ASP 106   0.170  12.320   8.975
  824    HB3  ASP 106           HB3      ASP 106   0.455  10.575   8.776
  825    H    ASP 107           H        ASP 107   3.663  10.904   9.278
  826    HA   ASP 107           HA       ASP 107   5.147   9.201   7.442
  827    HB2  ASP 107           HB2      ASP 107   6.252  10.280   9.339
  828    HB3  ASP 107           HB3      ASP 107   5.171   9.465  10.473
  829    H    ASP 108           H        ASP 108   2.616   8.673   9.972
  830    HA   ASP 108           HA       ASP 108   2.921   5.815   9.849
  831    HB2  ASP 108           HB2      ASP 108   1.741   7.500  11.626
  832    HB3  ASP 108           HB3      ASP 108   0.310   6.994  10.725
  833    H    THR 109           H        THR 109   0.623   8.134   8.312
  834    HA   THR 109           HA       THR 109  -0.892   6.236   6.875
  835    HB   THR 109           HB       THR 109  -0.206   9.094   6.042
  836    HG1  THR 109           HG1      THR 109  -1.636   9.748   7.526
  837   HG21  THR 109          HG21      THR 109  -2.716   7.417   5.632
  838   HG22  THR 109          HG22      THR 109  -2.536   9.093   5.186
  839   HG23  THR 109          HG23      THR 109  -1.551   7.875   4.355
  840    H    GLN 110           H        GLN 110   2.181   7.943   5.996
  841    HA   GLN 110           HA       GLN 110   2.324   6.805   3.399
  842    HB2  GLN 110           HB2      GLN 110   3.656   8.777   4.535
  843    HB3  GLN 110           HB3      GLN 110   4.794   7.520   5.011
  844    HG2  GLN 110           HG2      GLN 110   3.888   8.234   2.182
  845    HG3  GLN 110           HG3      GLN 110   5.426   8.675   2.910
  846   HE21  GLN 110          HE22      GLN 110   3.935   6.417   0.881
  847   HE22  GLN 110          HE21      GLN 110   5.093   5.118   1.021
  848    H    GLU 111           H        GLU 111   3.658   5.669   6.579
  849    HA   GLU 111           HA       GLU 111   4.996   3.405   5.527
  850    HB2  GLU 111           HB2      GLU 111   3.867   4.102   8.258
  851    HB3  GLU 111           HB3      GLU 111   4.546   2.507   7.964
  852    HG2  GLU 111           HG2      GLU 111   6.014   5.120   7.481
  853    HG3  GLU 111           HG3      GLU 111   6.172   4.124   8.931
  854    H    ALA 112           H        ALA 112   1.586   3.740   6.623
  855    HA   ALA 112           HA       ALA 112   0.883   1.002   6.391
  856    HB1  ALA 112           HB1      ALA 112  -1.414   1.819   6.145
  857    HB2  ALA 112           HB2      ALA 112  -0.568   2.821   7.343
  858    HB3  ALA 112           HB3      ALA 112  -0.822   3.435   5.709
  859    H    ILE 113           H        ILE 113   0.965   3.611   3.951
  860    HA   ILE 113           HA       ILE 113  -0.136   2.025   1.822
  861    HB   ILE 113           HB       ILE 113   1.333   4.669   1.982
  862   HG12  ILE 113          HG12      ILE 113  -1.566   4.101   1.243
  863   HG13  ILE 113          HG13      ILE 113  -1.067   4.257   2.923
  864   HG21  ILE 113          HG21      ILE 113   0.117   3.381  -0.498
  865   HG22  ILE 113          HG22      ILE 113   0.616   5.084  -0.378
  866   HG23  ILE 113          HG23      ILE 113   1.824   3.811  -0.234
  867   HD11  ILE 113          HD11      ILE 113  -0.836   6.392   0.811
  868   HD12  ILE 113          HD12      ILE 113  -1.893   6.371   2.243
  869   HD13  ILE 113          HD13      ILE 113  -0.140   6.509   2.453
  870    H    ALA 114           H        ALA 114   3.250   3.006   2.633
  871    HA   ALA 114           HA       ALA 114   4.507   1.676   0.481
  872    HB1  ALA 114           HB1      ALA 114   5.646   3.322   1.940
  873    HB2  ALA 114           HB2      ALA 114   5.549   2.188   3.306
  874    HB3  ALA 114           HB3      ALA 114   6.530   1.788   1.882
  875    H    ASP 115           H        ASP 115   3.705   0.547   3.791
  876    HA   ASP 115           HA       ASP 115   4.835  -2.039   3.603
  877    HB2  ASP 115           HB2      ASP 115   4.071  -0.895   5.684
  878    HB3  ASP 115           HB3      ASP 115   2.396  -1.179   5.207
  879    H    TRP 116           H        TRP 116   1.556  -0.845   2.761
  880    HA   TRP 116           HA       TRP 116   0.497  -3.420   2.055
  881    HB2  TRP 116           HB2      TRP 116  -0.945  -1.520   2.595
  882    HB3  TRP 116           HB3      TRP 116  -0.321  -0.607   1.222
  883    HD1  TRP 116           HD1      TRP 116  -1.596  -0.852  -0.984
  884    HE1  TRP 116           HE1      TRP 116  -3.300  -2.480  -2.000
  885    HE3  TRP 116           HE3      TRP 116  -1.887  -4.234   2.858
  886    HZ2  TRP 116           HZ2      TRP 116  -4.492  -5.005  -1.310
  887    HZ3  TRP 116           HZ3      TRP 116  -3.318  -6.243   2.644
  888    HH2  TRP 116           HH2      TRP 116  -4.601  -6.660   0.553
  889    H    LEU 117           H        LEU 117   2.212  -0.848   0.205
  890    HA   LEU 117           HA       LEU 117   1.831  -2.093  -2.340
  891    HB2  LEU 117           HB2      LEU 117   3.849  -0.071  -1.321
  892    HB3  LEU 117           HB3      LEU 117   3.831  -0.624  -2.989
  893    HG   LEU 117           HG       LEU 117   1.383   0.632  -1.671
  894   HD11  LEU 117          HD11      LEU 117   3.242   2.233  -1.628
  895   HD12  LEU 117          HD12      LEU 117   3.527   1.977  -3.365
  896   HD13  LEU 117          HD13      LEU 117   2.010   2.721  -2.801
  897   HD21  LEU 117          HD21      LEU 117   0.828  -0.668  -3.656
  898   HD22  LEU 117          HD22      LEU 117   0.685   1.052  -4.006
  899   HD23  LEU 117          HD23      LEU 117   2.102   0.151  -4.589
  900    H    TYR 118           H        TYR 118   4.404  -2.510   0.161
  901    HA   TYR 118           HA       TYR 118   6.050  -4.233  -1.423
  902    HB2  TYR 118           HB2      TYR 118   5.542  -4.497   1.564
  903    HB3  TYR 118           HB3      TYR 118   6.929  -5.082   0.678
  904    HD1  TYR 118           HD2      TYR 118   7.399  -2.396  -0.953
  905    HD2  TYR 118           HD1      TYR 118   6.740  -3.321   3.215
  906    HE1  TYR 118           HE2      TYR 118   8.601  -0.339  -0.306
  907    HE2  TYR 118           HE1      TYR 118   7.901  -1.245   3.868
  908    HH   TYR 118           HH       TYR 118   9.072   0.636   3.123
  909    H    TRP 119           H        TRP 119   3.383  -4.981   0.874
  910    HA   TRP 119           HA       TRP 119   3.320  -7.776   0.494
  911    HB2  TRP 119           HB2      TRP 119   2.281  -6.770   2.360
  912    HB3  TRP 119           HB3      TRP 119   1.348  -5.661   1.377
  913    HD1  TRP 119           HD1      TRP 119  -0.908  -6.431   0.364
  914    HE1  TRP 119           HE1      TRP 119  -2.493  -8.331   0.880
  915    HE3  TRP 119           HE3      TRP 119   2.286  -9.436   3.023
  916    HZ2  TRP 119           HZ2      TRP 119  -2.475 -10.787   2.456
  917    HZ3  TRP 119           HZ3      TRP 119   1.469 -11.564   4.006
  918    HH2  TRP 119           HH2      TRP 119  -0.903 -12.249   3.733
  919    H    LEU 120           H        LEU 120   1.557  -5.176  -1.283
  920    HA   LEU 120           HA       LEU 120   0.025  -6.785  -2.999
  921    HB2  LEU 120           HB2      LEU 120  -0.257  -4.358  -2.631
  922    HB3  LEU 120           HB3      LEU 120   1.299  -4.059  -3.401
  923    HG   LEU 120           HG       LEU 120   0.378  -5.028  -5.548
  924   HD11  LEU 120          HD11      LEU 120  -2.132  -5.134  -5.710
  925   HD12  LEU 120          HD12      LEU 120  -1.444  -6.402  -4.695
  926   HD13  LEU 120          HD13      LEU 120  -2.220  -4.989  -3.938
  927   HD21  LEU 120          HD21      LEU 120  -0.957  -3.001  -6.045
  928   HD22  LEU 120          HD22      LEU 120  -1.022  -2.636  -4.300
  929   HD23  LEU 120          HD23      LEU 120   0.528  -2.630  -5.165
  930    H    ALA 121           H        ALA 121   3.284  -5.308  -3.535
  931    HA   ALA 121           HA       ALA 121   3.660  -6.404  -6.121
  932    HB1  ALA 121           HB1      ALA 121   5.695  -5.511  -4.032
  933    HB2  ALA 121           HB2      ALA 121   6.040  -5.791  -5.753
  934    HB3  ALA 121           HB3      ALA 121   4.934  -4.489  -5.270
  935    H    ARG 122           H        ARG 122   3.974  -7.910  -2.959
  936    HA   ARG 122           HA       ARG 122   5.674 -10.067  -3.933
  937    HB2  ARG 122           HB2      ARG 122   5.504  -9.024  -1.546
  938    HB3  ARG 122           HB3      ARG 122   4.153 -10.142  -1.326
  939    HG2  ARG 122           HG2      ARG 122   5.642 -12.060  -1.737
  940    HG3  ARG 122           HG3      ARG 122   6.931 -10.989  -2.300
  941    HD2  ARG 122           HD2      ARG 122   7.476 -11.688  -0.071
  942    HD3  ARG 122           HD3      ARG 122   7.074  -9.962  -0.047
  943    HE   ARG 122           HE       ARG 122   4.792 -11.671   0.479
  944   HH11  ARG 122          HH21      ARG 122   7.650 -10.140   1.998
  945   HH12  ARG 122          HH22      ARG 122   6.925 -10.149   3.595
  946   HH21  ARG 122          HH11      ARG 122   4.001 -11.857   2.680
  947   HH22  ARG 122          HH12      ARG 122   5.027 -11.366   4.000
  948    H    GLY 123           H        GLY 123   2.408  -9.425  -4.495
  949    HA2  GLY 123           HA2      GLY 123   0.864 -10.714  -5.584
  950    HA3  GLY 123           HA3      GLY 123   2.088 -11.987  -5.743
  951    H    TYR 124           H        TYR 124   0.536 -10.450  -2.899
  952    HA   TYR 124           HA       TYR 124   0.414 -12.727  -1.293
  953    HB2  TYR 124           HB2      TYR 124  -0.976 -11.471   0.145
  954    HB3  TYR 124           HB3      TYR 124   0.181 -10.354  -0.548
  955    HD1  TYR 124           HD1      TYR 124  -3.401 -11.318  -0.361
  956    HD2  TYR 124           HD2      TYR 124  -0.556  -8.603  -2.106
  957    HE1  TYR 124           HE1      TYR 124  -5.249  -9.855  -1.070
  958    HE2  TYR 124           HE2      TYR 124  -2.401  -7.081  -2.754
  959    HH   TYR 124           HH       TYR 124  -4.745  -6.766  -2.817
  960    H    LYS 125           H        LYS 125  -1.508 -13.811  -0.406
  961    HA   LYS 125           HA       LYS 125  -3.580 -14.410  -2.461
  962    HB2  LYS 125           HB2      LYS 125  -1.988 -16.552  -0.997
  963    HB3  LYS 125           HB3      LYS 125  -3.101 -16.749  -2.358
  964    HG2  LYS 125           HG2      LYS 125  -1.485 -15.339  -3.740
  965    HG3  LYS 125           HG3      LYS 125  -0.346 -15.459  -2.380
  966    HD2  LYS 125           HD2      LYS 125  -0.551 -18.000  -2.617
  967    HD3  LYS 125           HD3      LYS 125  -1.374 -17.695  -4.153
  968    HE2  LYS 125           HE2      LYS 125   1.466 -16.918  -3.346
  969    HE3  LYS 125           HE3      LYS 125   0.991 -18.097  -4.568
  970    HZ1  LYS 125           HZ1      LYS 125   1.661 -16.080  -5.623
  971    HZ2  LYS 125           HZ2      LYS 125   0.054 -16.211  -5.852
  972    HZ3  LYS 125           HZ3      LYS 125   0.655 -15.150  -4.739
  973    H    PHE 126           H        PHE 126  -3.293 -13.255   0.508
  974    HA   PHE 126           HA       PHE 126  -4.185 -13.441   2.546
  975    HB2  PHE 126           HB2      PHE 126  -6.661 -14.019   0.895
  976    HB3  PHE 126           HB3      PHE 126  -6.688 -13.736   2.619
  977    HD1  PHE 126           HD2      PHE 126  -4.744 -11.418   2.897
  978    HD2  PHE 126           HD1      PHE 126  -7.934 -12.194   0.095
  979    HE1  PHE 126           HE2      PHE 126  -5.102  -8.989   2.631
  980    HE2  PHE 126           HE1      PHE 126  -8.290  -9.756  -0.161
  981    HZ   PHE 126           HZ       PHE 126  -6.875  -8.145   1.101
  Start of MODEL    6
    1    H1   MET   1           H1       MET   1  13.979 -14.810  -5.157
    2    H2   MET   1           H2       MET   1  13.242 -13.499  -5.808
    3    H3   MET   1           H3       MET   1  14.553 -13.300  -4.855
    4    HA   MET   1           HA       MET   1  11.937 -14.317  -4.005
    5    HB2  MET   1           HB2      MET   1  13.779 -15.379  -2.753
    6    HB3  MET   1           HB3      MET   1  14.435 -13.794  -2.327
    7    HG2  MET   1           HG2      MET   1  12.395 -13.276  -1.048
    8    HG3  MET   1           HG3      MET   1  11.668 -14.809  -1.545
    9    HE1  MET   1           HE1      MET   1  11.092 -15.041   1.080
   10    HE2  MET   1           HE2      MET   1  12.333 -15.056   2.354
   11    HE3  MET   1           HE3      MET   1  12.009 -13.561   1.449
   12    H    ALA   2           H        ALA   2  10.527 -12.810  -3.165
   13    HA   ALA   2           HA       ALA   2  11.034  -9.986  -3.650
   14    HB1  ALA   2           HB1      ALA   2   8.851 -10.991  -4.163
   15    HB2  ALA   2           HB2      ALA   2   8.645 -11.458  -2.458
   16    HB3  ALA   2           HB3      ALA   2   8.687  -9.740  -2.918
   17    H    SER   3           H        SER   3  12.977 -10.381  -2.009
   18    HA   SER   3           HA       SER   3  12.423 -10.402   0.809
   19    HB2  SER   3           HB2      SER   3  14.982  -9.633  -0.647
   20    HB3  SER   3           HB3      SER   3  14.823 -10.255   1.007
   21    HG   SER   3           HG       SER   3  15.468 -11.875  -0.463
   22    H    VAL   4           H        VAL   4  11.091  -8.273  -0.636
   23    HA   VAL   4           HA       VAL   4  12.279  -5.812  -0.736
   24    HB   VAL   4           HB       VAL   4  10.235  -6.231  -1.806
   25   HG11  VAL   4          HG11      VAL   4   8.830  -6.530   0.859
   26   HG12  VAL   4          HG12      VAL   4   8.046  -6.425  -0.743
   27   HG13  VAL   4          HG13      VAL   4   9.087  -7.784  -0.371
   28   HG21  VAL   4          HG21      VAL   4   9.699  -4.095   0.289
   29   HG22  VAL   4          HG22      VAL   4  10.689  -3.885  -1.172
   30   HG23  VAL   4          HG23      VAL   4   8.960  -4.230  -1.321
   31    H    GLU   5           H        GLU   5  13.086  -4.458   0.542
   32    HA   GLU   5           HA       GLU   5  14.191  -3.814   2.394
   33    HB2  GLU   5           HB2      GLU   5  11.375  -2.743   2.720
   34    HB3  GLU   5           HB3      GLU   5  12.781  -2.179   3.648
   35    HG2  GLU   5           HG2      GLU   5  13.971  -1.701   1.487
   36    HG3  GLU   5           HG3      GLU   5  12.502  -2.133   0.613
   37    H    ARG   6           H        ARG   6  11.479  -3.914   4.621
   38    HA   ARG   6           HA       ARG   6  13.159  -4.987   6.579
   39    HB2  ARG   6           HB2      ARG   6  10.138  -4.654   6.483
   40    HB3  ARG   6           HB3      ARG   6  11.063  -4.978   7.955
   41    HG2  ARG   6           HG2      ARG   6  12.330  -2.890   7.633
   42    HG3  ARG   6           HG3      ARG   6  11.427  -2.518   6.157
   43    HD2  ARG   6           HD2      ARG   6  10.084  -2.961   8.830
   44    HD3  ARG   6           HD3      ARG   6  10.710  -1.397   8.317
   45    HE   ARG   6           HE       ARG   6   8.497  -2.914   6.975
   46   HH11  ARG   6          HH21      ARG   6  10.011   0.231   7.717
   47   HH12  ARG   6          HH22      ARG   6   8.638   1.151   7.172
   48   HH21  ARG   6          HH11      ARG   6   6.744  -1.665   6.177
   49   HH22  ARG   6          HH12      ARG   6   6.846   0.099   6.274
   50    H    ASP   7           H        ASP   7  11.450  -6.814   4.239
   51    HA   ASP   7           HA       ASP   7  10.702  -8.981   4.141
   52    HB2  ASP   7           HB2      ASP   7  13.020  -8.920   3.422
   53    HB3  ASP   7           HB3      ASP   7  13.570  -9.268   5.062
   54    H    GLU   8           H        GLU   8  12.510 -10.756   6.395
   55    HA   GLU   8           HA       GLU   8  10.174 -11.671   7.562
   56    HB2  GLU   8           HB2      GLU   8  11.590 -12.999   9.029
   57    HB3  GLU   8           HB3      GLU   8  12.242 -12.976   7.392
   58    HG2  GLU   8           HG2      GLU   8  13.910 -11.252   8.086
   59    HG3  GLU   8           HG3      GLU   8  13.259 -11.286   9.725
   60    H    THR   9           H        THR   9  12.004  -8.883   8.623
   61    HA   THR   9           HA       THR   9  11.058  -8.822  11.346
   62    HB   THR   9           HB       THR   9  11.519  -6.268   9.837
   63    HG1  THR   9           HG1      THR   9  13.098  -7.318   8.873
   64   HG21  THR   9          HG21      THR   9  12.842  -5.707  11.829
   65   HG22  THR   9          HG22      THR   9  11.237  -6.295  12.294
   66   HG23  THR   9          HG23      THR   9  12.649  -7.364  12.449
   67    H    ARG  10           H        ARG  10   9.685  -7.710   8.217
   68    HA   ARG  10           HA       ARG  10   7.455  -6.415   9.680
   69    HB2  ARG  10           HB2      ARG  10   6.518  -5.905   7.449
   70    HB3  ARG  10           HB3      ARG  10   8.074  -5.159   7.789
   71    HG2  ARG  10           HG2      ARG  10   9.233  -6.764   6.391
   72    HG3  ARG  10           HG3      ARG  10   7.755  -7.683   6.121
   73    HD2  ARG  10           HD2      ARG  10   8.285  -4.827   5.198
   74    HD3  ARG  10           HD3      ARG  10   8.392  -6.268   4.179
   75    HE   ARG  10           HE       ARG  10   6.038  -4.807   5.018
   76   HH11  ARG  10          HH11      ARG  10   7.113  -8.072   4.159
   77   HH12  ARG  10          HH12      ARG  10   5.538  -8.737   4.154
   78   HH21  ARG  10          HH21      ARG  10   4.018  -5.489   4.483
   79   HH22  ARG  10          HH22      ARG  10   3.709  -7.086   3.839
   80    H    GLU  11           H        GLU  11   8.113  -9.399   7.786
   81    HA   GLU  11           HA       GLU  11   5.416 -10.306   7.744
   82    HB2  GLU  11           HB2      GLU  11   7.984 -11.910   7.894
   83    HB3  GLU  11           HB3      GLU  11   6.409 -12.567   7.467
   84    HG2  GLU  11           HG2      GLU  11   7.730 -10.334   5.860
   85    HG3  GLU  11           HG3      GLU  11   8.035 -12.033   5.582
   86    H    HIS  12           H        HIS  12   7.982 -10.684  10.262
   87    HA   HIS  12           HA       HIS  12   6.444 -12.286  12.034
   88    HB2  HIS  12           HB2      HIS  12   8.875 -11.991  12.223
   89    HB3  HIS  12           HB3      HIS  12   8.669 -10.276  12.581
   90    HD1  HIS  12           HD1      HIS  12   7.661 -13.682  14.209
   91    HD2  HIS  12           HD2      HIS  12   8.505  -9.653  15.106
   92    HE1  HIS  12           HE1      HIS  12   7.637 -13.493  16.746
   93    H    ARG  13           H        ARG  13   6.751  -8.679  11.773
   94    HA   ARG  13           HA       ARG  13   4.999  -8.103  13.966
   95    HB2  ARG  13           HB2      ARG  13   5.753  -6.509  11.495
   96    HB3  ARG  13           HB3      ARG  13   4.613  -5.939  12.711
   97    HG2  ARG  13           HG2      ARG  13   6.451  -6.455  14.475
   98    HG3  ARG  13           HG3      ARG  13   7.560  -6.626  13.108
   99    HD2  ARG  13           HD2      ARG  13   7.716  -4.385  13.986
  100    HD3  ARG  13           HD3      ARG  13   6.939  -4.308  12.387
  101    HE   ARG  13           HE       ARG  13   4.929  -4.543  14.403
  102   HH11  ARG  13          HH11      ARG  13   7.279  -2.106  13.301
  103   HH12  ARG  13          HH12      ARG  13   6.298  -0.764  13.757
  104   HH21  ARG  13          HH21      ARG  13   3.604  -2.799  14.936
  105   HH22  ARG  13          HH22      ARG  13   4.161  -1.167  14.731
  106    H    ILE  14           H        ILE  14   4.302  -8.453  10.454
  107    HA   ILE  14           HA       ILE  14   1.541  -7.998  10.523
  108    HB   ILE  14           HB       ILE  14   3.362  -9.703   8.799
  109   HG12  ILE  14          HG12      ILE  14   1.842  -7.208   7.997
  110   HG13  ILE  14          HG13      ILE  14   3.354  -7.078   8.878
  111   HG21  ILE  14          HG21      ILE  14   0.403  -9.234   8.282
  112   HG22  ILE  14          HG22      ILE  14   1.565  -9.912   7.118
  113   HG23  ILE  14          HG23      ILE  14   1.207 -10.794   8.597
  114   HD11  ILE  14          HD11      ILE  14   3.848  -6.837   6.601
  115   HD12  ILE  14          HD12      ILE  14   4.474  -8.417   7.053
  116   HD13  ILE  14          HD13      ILE  14   2.956  -8.310   6.135
  117    H    GLU  15           H        GLU  15   3.299 -11.116  10.898
  118    HA   GLU  15           HA       GLU  15   1.048 -12.702  11.356
  119    HB2  GLU  15           HB2      GLU  15   3.234 -13.598  10.805
  120    HB3  GLU  15           HB3      GLU  15   3.931 -12.983  12.310
  121    HG2  GLU  15           HG2      GLU  15   2.566 -14.496  13.636
  122    HG3  GLU  15           HG3      GLU  15   1.692 -15.039  12.197
  123    H    THR  16           H        THR  16   3.021 -10.853  13.753
  124    HA   THR  16           HA       THR  16   1.496 -12.045  15.927
  125    HB   THR  16           HB       THR  16   3.015 -10.594  17.339
  126    HG1  THR  16           HG1      THR  16   4.394 -10.242  14.887
  127   HG21  THR  16          HG21      THR  16   4.332 -12.523  15.372
  128   HG22  THR  16          HG22      THR  16   4.982 -12.010  16.946
  129   HG23  THR  16          HG23      THR  16   3.494 -12.964  16.874
  130    H    GLU  17           H        GLU  17   1.213  -9.020  14.174
  131    HA   GLU  17           HA       GLU  17  -0.782  -8.131  16.197
  132    HB2  GLU  17           HB2      GLU  17   0.159  -6.089  16.453
  133    HB3  GLU  17           HB3      GLU  17   1.580  -7.096  16.255
  134    HG2  GLU  17           HG2      GLU  17   1.500  -6.350  13.746
  135    HG3  GLU  17           HG3      GLU  17   0.331  -5.156  14.271
  136    H    ILE  18           H        ILE  18  -0.625  -8.924  12.923
  137    HA   ILE  18           HA       ILE  18  -2.952  -7.108  12.397
  138    HB   ILE  18           HB       ILE  18  -0.988  -8.131  10.323
  139   HG12  ILE  18          HG12      ILE  18  -1.177  -5.434  11.735
  140   HG13  ILE  18          HG13      ILE  18   0.183  -6.554  11.758
  141   HG21  ILE  18          HG21      ILE  18  -3.336  -7.657   9.520
  142   HG22  ILE  18          HG22      ILE  18  -3.155  -6.001  10.107
  143   HG23  ILE  18          HG23      ILE  18  -2.126  -6.619   8.793
  144   HD11  ILE  18          HD11      ILE  18   0.451  -6.183   9.283
  145   HD12  ILE  18          HD12      ILE  18  -0.735  -4.873   9.409
  146   HD13  ILE  18          HD13      ILE  18   0.788  -4.776  10.311
  147    H    ILE  19           H        ILE  19  -1.571 -10.391  11.685
  148    HA   ILE  19           HA       ILE  19  -4.365 -11.313  11.195
  149    HB   ILE  19           HB       ILE  19  -3.410 -12.740   9.461
  150   HG12  ILE  19          HG12      ILE  19  -0.902 -11.034   9.598
  151   HG13  ILE  19          HG13      ILE  19  -1.024 -12.535  10.530
  152   HG21  ILE  19          HG21      ILE  19  -2.836  -9.801   8.911
  153   HG22  ILE  19          HG22      ILE  19  -3.305 -11.049   7.754
  154   HG23  ILE  19          HG23      ILE  19  -4.466 -10.502   8.967
  155   HD11  ILE  19          HD11      ILE  19   0.042 -12.969   8.407
  156   HD12  ILE  19          HD12      ILE  19  -1.542 -13.780   8.513
  157   HD13  ILE  19          HD13      ILE  19  -1.364 -12.298   7.535
  158    H    VAL  20           H        VAL  20  -2.631 -11.554  13.704
  159    HA   VAL  20           HA       VAL  20  -1.513 -13.989  14.039
  160    HB   VAL  20           HB       VAL  20  -1.539 -12.053  15.610
  161   HG11  VAL  20          HG11      VAL  20  -3.996 -11.710  15.785
  162   HG12  VAL  20          HG12      VAL  20  -4.133 -13.241  16.679
  163   HG13  VAL  20          HG13      VAL  20  -3.218 -11.882  17.365
  164   HG21  VAL  20          HG21      VAL  20  -2.085 -14.737  16.936
  165   HG22  VAL  20          HG22      VAL  20  -0.531 -14.213  16.247
  166   HG23  VAL  20          HG23      VAL  20  -1.211 -13.359  17.643
  167    H    ASP  21           H        ASP  21  -5.036 -13.490  14.206
  168    HA   ASP  21           HA       ASP  21  -5.380 -16.390  14.701
  169    HB2  ASP  21           HB2      ASP  21  -7.373 -15.944  15.799
  170    HB3  ASP  21           HB3      ASP  21  -6.273 -14.707  16.388
  171    H    ALA  22           H        ALA  22  -5.081 -14.526  12.155
  172    HA   ALA  22           HA       ALA  22  -7.612 -15.166  10.726
  173    HB1  ALA  22           HB1      ALA  22  -5.654 -12.890  10.306
  174    HB2  ALA  22           HB2      ALA  22  -7.076 -13.251   9.334
  175    HB3  ALA  22           HB3      ALA  22  -7.282 -12.764  11.035
  176    H    GLU  23           H        GLU  23  -7.485 -16.372   9.196
  177    HA   GLU  23           HA       GLU  23  -5.219 -16.811   7.374
  178    HB2  GLU  23           HB2      GLU  23  -4.849 -19.005   7.898
  179    HB3  GLU  23           HB3      GLU  23  -4.943 -18.213   9.470
  180    HG2  GLU  23           HG2      GLU  23  -7.166 -19.840   8.196
  181    HG3  GLU  23           HG3      GLU  23  -5.986 -20.463   9.337
  182    H    ASP  24           H        ASP  24  -8.571 -17.146   8.221
  183    HA   ASP  24           HA       ASP  24  -9.473 -18.376   5.743
  184    HB2  ASP  24           HB2      ASP  24 -10.991 -16.670   7.750
  185    HB3  ASP  24           HB3      ASP  24 -11.673 -17.737   6.539
  186    H    LYS  25           H        LYS  25 -10.062 -17.050   3.934
  187    HA   LYS  25           HA       LYS  25  -8.431 -14.790   3.644
  188    HB2  LYS  25           HB2      LYS  25  -9.472 -14.426   1.489
  189    HB3  LYS  25           HB3      LYS  25  -9.131 -16.136   1.768
  190    HG2  LYS  25           HG2      LYS  25 -11.557 -16.469   2.380
  191    HG3  LYS  25           HG3      LYS  25 -11.844 -14.758   2.052
  192    HD2  LYS  25           HD2      LYS  25 -12.567 -16.083   0.158
  193    HD3  LYS  25           HD3      LYS  25 -11.190 -15.067  -0.304
  194    HE2  LYS  25           HE2      LYS  25  -9.664 -17.007  -0.044
  195    HE3  LYS  25           HE3      LYS  25 -11.020 -18.019   0.467
  196    HZ1  LYS  25           HZ1      LYS  25 -10.507 -18.339  -1.871
  197    HZ2  LYS  25           HZ2      LYS  25 -11.999 -17.702  -1.735
  198    HZ3  LYS  25           HZ3      LYS  25 -10.745 -16.763  -2.206
  199    H    GLU  26           H        GLU  26 -11.765 -14.909   4.766
  200    HA   GLU  26           HA       GLU  26 -12.324 -12.095   4.345
  201    HB2  GLU  26           HB2      GLU  26 -13.600 -14.212   6.140
  202    HB3  GLU  26           HB3      GLU  26 -14.218 -12.568   5.936
  203    HG2  GLU  26           HG2      GLU  26 -14.486 -12.974   3.492
  204    HG3  GLU  26           HG3      GLU  26 -13.920 -14.630   3.706
  205    H    GLU  27           H        GLU  27 -10.927 -14.118   7.009
  206    HA   GLU  27           HA       GLU  27 -10.962 -11.924   8.889
  207    HB2  GLU  27           HB2      GLU  27  -9.346 -14.495   8.956
  208    HB3  GLU  27           HB3      GLU  27  -9.580 -13.314  10.265
  209    HG2  GLU  27           HG2      GLU  27 -12.096 -13.739  10.014
  210    HG3  GLU  27           HG3      GLU  27 -11.633 -15.095   8.964
  211    H    ARG  28           H        ARG  28  -8.511 -13.388   6.626
  212    HA   ARG  28           HA       ARG  28  -6.472 -11.553   7.564
  213    HB2  ARG  28           HB2      ARG  28  -6.708 -13.094   4.948
  214    HB3  ARG  28           HB3      ARG  28  -5.378 -11.968   5.299
  215    HG2  ARG  28           HG2      ARG  28  -5.055 -13.222   7.509
  216    HG3  ARG  28           HG3      ARG  28  -6.128 -14.467   6.851
  217    HD2  ARG  28           HD2      ARG  28  -4.550 -14.955   5.077
  218    HD3  ARG  28           HD3      ARG  28  -3.561 -13.533   5.499
  219    HE   ARG  28           HE       ARG  28  -3.758 -15.049   7.836
  220   HH11  ARG  28          HH11      ARG  28  -2.323 -15.541   4.618
  221   HH12  ARG  28          HH12      ARG  28  -1.148 -16.673   5.175
  222   HH21  ARG  28          HH21      ARG  28  -2.245 -16.529   8.564
  223   HH22  ARG  28          HH22      ARG  28  -1.098 -17.249   7.493
  224    H    ALA  29           H        ALA  29  -8.915 -11.194   4.948
  225    HA   ALA  29           HA       ALA  29  -8.057  -8.661   4.090
  226    HB1  ALA  29           HB1      ALA  29 -10.337  -8.417   3.241
  227    HB2  ALA  29           HB2      ALA  29  -9.772 -10.069   2.958
  228    HB3  ALA  29           HB3      ALA  29 -10.905  -9.742   4.282
  229    H    MET  30           H        MET  30 -10.335  -9.509   6.788
  230    HA   MET  30           HA       MET  30 -10.769  -6.772   7.524
  231    HB2  MET  30           HB2      MET  30 -11.150  -9.366   9.037
  232    HB3  MET  30           HB3      MET  30 -11.574  -7.784   9.690
  233    HG2  MET  30           HG2      MET  30 -12.729  -8.986   7.145
  234    HG3  MET  30           HG3      MET  30 -13.501  -8.940   8.718
  235    HE1  MET  30           HE1      MET  30 -12.810  -7.378   5.450
  236    HE2  MET  30           HE2      MET  30 -13.602  -5.787   5.477
  237    HE3  MET  30           HE3      MET  30 -11.952  -5.962   6.078
  238    H    GLY  31           H        GLY  31  -8.357  -9.166   8.744
  239    HA2  GLY  31           HA2      GLY  31  -7.327  -7.591  10.833
  240    HA3  GLY  31           HA3      GLY  31  -6.425  -8.806   9.901
  241    H    TRP  32           H        TRP  32  -6.264  -7.785   7.377
  242    HA   TRP  32           HA       TRP  32  -4.322  -5.719   7.549
  243    HB2  TRP  32           HB2      TRP  32  -5.908  -6.948   5.275
  244    HB3  TRP  32           HB3      TRP  32  -4.893  -5.539   5.007
  245    HD1  TRP  32           HD1      TRP  32  -4.634  -9.232   5.240
  246    HE1  TRP  32           HE1      TRP  32  -2.204  -9.972   4.971
  247    HE3  TRP  32           HE3      TRP  32  -2.411  -4.691   5.758
  248    HZ2  TRP  32           HZ2      TRP  32   0.435  -8.739   5.353
  249    HZ3  TRP  32           HZ3      TRP  32   0.063  -4.470   5.776
  250    HH2  TRP  32           HH2      TRP  32   1.488  -6.486   5.570
  251    H    TYR  33           H        TYR  33  -7.825  -5.586   6.652
  252    HA   TYR  33           HA       TYR  33  -7.903  -2.864   5.940
  253    HB2  TYR  33           HB2      TYR  33  -9.718  -4.297   5.361
  254    HB3  TYR  33           HB3      TYR  33  -9.923  -4.827   7.015
  255    HD1  TYR  33           HD1      TYR  33  -9.915  -1.418   5.359
  256    HD2  TYR  33           HD2      TYR  33 -11.948  -4.245   7.898
  257    HE1  TYR  33           HE1      TYR  33 -11.737   0.214   5.712
  258    HE2  TYR  33           HE2      TYR  33 -13.736  -2.604   8.313
  259    HH   TYR  33           HH       TYR  33 -14.557  -0.467   7.839
  260    H    TYR  34           H        TYR  34  -8.416  -4.371   9.211
  261    HA   TYR  34           HA       TYR  34  -9.218  -1.918  10.437
  262    HB2  TYR  34           HB2      TYR  34  -7.972  -4.418  11.644
  263    HB3  TYR  34           HB3      TYR  34  -8.763  -3.136  12.544
  264    HD1  TYR  34           HD1      TYR  34 -11.065  -3.162  10.041
  265    HD2  TYR  34           HD2      TYR  34  -9.447  -5.904  12.965
  266    HE1  TYR  34           HE1      TYR  34 -13.194  -4.397  10.061
  267    HE2  TYR  34           HE2      TYR  34 -11.577  -7.164  12.962
  268    HH   TYR  34           HH       TYR  34 -14.385  -6.199  10.935
  269    H    TYR  35           H        TYR  35  -6.011  -3.603  10.225
  270    HA   TYR  35           HA       TYR  35  -4.703  -1.646  11.893
  271    HB2  TYR  35           HB2      TYR  35  -3.916  -3.989  11.525
  272    HB3  TYR  35           HB3      TYR  35  -3.596  -3.618   9.835
  273    HD1  TYR  35           HD2      TYR  35  -1.672  -2.216   9.182
  274    HD2  TYR  35           HD1      TYR  35  -2.451  -3.161  13.320
  275    HE1  TYR  35           HE2      TYR  35   0.609  -1.480   9.767
  276    HE2  TYR  35           HE1      TYR  35  -0.159  -2.441  13.917
  277    HH   TYR  35           HH       TYR  35   2.176  -1.205  11.473
  278    H    LEU  36           H        LEU  36  -5.116  -1.962   8.310
  279    HA   LEU  36           HA       LEU  36  -3.369   0.205   7.662
  280    HB2  LEU  36           HB2      LEU  36  -5.501  -1.352   6.227
  281    HB3  LEU  36           HB3      LEU  36  -5.157   0.253   5.626
  282    HG   LEU  36           HG       LEU  36  -2.935  -0.181   5.105
  283   HD11  LEU  36          HD11      LEU  36  -1.787  -2.378   5.535
  284   HD12  LEU  36          HD12      LEU  36  -2.024  -1.381   6.964
  285   HD13  LEU  36          HD13      LEU  36  -3.098  -2.766   6.683
  286   HD21  LEU  36          HD21      LEU  36  -4.472  -2.735   4.448
  287   HD22  LEU  36          HD22      LEU  36  -4.676  -1.186   3.604
  288   HD23  LEU  36          HD23      LEU  36  -3.127  -2.040   3.518
  289    H    ASP  37           H        ASP  37  -6.995   0.084   8.172
  290    HA   ASP  37           HA       ASP  37  -7.325   2.903   7.860
  291    HB2  ASP  37           HB2      ASP  37  -9.354   1.569   8.203
  292    HB3  ASP  37           HB3      ASP  37  -8.779   0.996   9.760
  293    H    ASP  38           H        ASP  38  -6.442   0.927  10.821
  294    HA   ASP  38           HA       ASP  38  -6.736   3.302  12.133
  295    HB2  ASP  38           HB2      ASP  38  -6.860   1.158  13.322
  296    HB3  ASP  38           HB3      ASP  38  -5.091   1.208  13.459
  297    H    THR  39           H        THR  39  -4.058   2.243  10.341
  298    HA   THR  39           HA       THR  39  -2.064   3.921  11.727
  299    HB   THR  39           HB       THR  39  -1.965   2.248   9.176
  300    HG1  THR  39           HG1      THR  39  -2.317   0.894  10.826
  301   HG21  THR  39          HG21      THR  39   0.482   2.344   9.502
  302   HG22  THR  39          HG22      THR  39  -0.244   3.947   9.292
  303   HG23  THR  39          HG23      THR  39   0.257   3.419  10.912
  304    H    LEU  40           H        LEU  40  -3.959   3.887   8.687
  305    HA   LEU  40           HA       LEU  40  -3.033   6.369   7.608
  306    HB2  LEU  40           HB2      LEU  40  -5.717   4.978   7.332
  307    HB3  LEU  40           HB3      LEU  40  -5.146   6.287   6.304
  308    HG   LEU  40           HG       LEU  40  -3.670   3.642   6.497
  309   HD11  LEU  40          HD11      LEU  40  -5.837   4.415   4.483
  310   HD12  LEU  40          HD12      LEU  40  -4.873   2.921   4.467
  311   HD13  LEU  40          HD13      LEU  40  -6.013   3.215   5.782
  312   HD21  LEU  40          HD21      LEU  40  -2.815   4.174   4.292
  313   HD22  LEU  40          HD22      LEU  40  -3.647   5.733   4.308
  314   HD23  LEU  40          HD23      LEU  40  -2.349   5.388   5.477
  315    H    GLU  41           H        GLU  41  -3.821   8.448   7.905
  316    HA   GLU  41           HA       GLU  41  -6.152   8.906   9.710
  317    HB2  GLU  41           HB2      GLU  41  -3.533  10.430   9.481
  318    HB3  GLU  41           HB3      GLU  41  -4.958  11.063  10.312
  319    HG2  GLU  41           HG2      GLU  41  -3.610   8.433  11.043
  320    HG3  GLU  41           HG3      GLU  41  -3.249   9.977  11.802
  321    H    PHE  42           H        PHE  42  -6.844   8.380   7.311
  322    HA   PHE  42           HA       PHE  42  -6.958  10.528   5.424
  323    HB2  PHE  42           HB2      PHE  42  -8.802   9.151   4.454
  324    HB3  PHE  42           HB3      PHE  42  -7.321   8.282   4.720
  325    HD1  PHE  42           HD2      PHE  42 -10.647   8.966   6.392
  326    HD2  PHE  42           HD1      PHE  42  -7.459   6.142   5.668
  327    HE1  PHE  42           HE2      PHE  42 -11.984   7.177   7.450
  328    HE2  PHE  42           HE1      PHE  42  -8.809   4.360   6.736
  329    HZ   PHE  42           HZ       PHE  42 -11.084   4.868   7.604
  330    HA   PRO  43           HA       PRO  43  -9.212  11.080   3.850
  331    HB2  PRO  43           HB2      PRO  43  -9.906  13.642   3.225
  332    HB3  PRO  43           HB3      PRO  43 -11.091  12.391   3.693
  333    HG2  PRO  43           HG2      PRO  43  -9.854  14.510   5.467
  334    HG3  PRO  43           HG3      PRO  43 -11.587  14.075   5.295
  335    HD2  PRO  43           HD2      PRO  43 -10.073  13.074   7.312
  336    HD3  PRO  43           HD3      PRO  43 -11.293  12.055   6.495
  337    H    PHE  44           H        PHE  44  -7.641  11.798   2.293
  338    HA   PHE  44           HA       PHE  44  -5.795  13.935   3.013
  339    HB2  PHE  44           HB2      PHE  44  -3.764  12.625   2.840
  340    HB3  PHE  44           HB3      PHE  44  -4.703  12.165   4.239
  341    HD1  PHE  44           HD1      PHE  44  -3.889  11.103   0.736
  342    HD2  PHE  44           HD2      PHE  44  -5.109   9.850   4.655
  343    HE1  PHE  44           HE1      PHE  44  -3.596   8.770   0.048
  344    HE2  PHE  44           HE2      PHE  44  -4.933   7.492   3.948
  345    HZ   PHE  44           HZ       PHE  44  -4.143   6.923   1.653
  346    H    MET  45           H        MET  45  -4.176  14.265   1.146
  347    HA   MET  45           HA       MET  45  -5.634  13.887  -1.403
  348    HB2  MET  45           HB2      MET  45  -4.724  16.121  -0.755
  349    HB3  MET  45           HB3      MET  45  -3.101  15.426  -0.622
  350    HG2  MET  45           HG2      MET  45  -3.190  14.855  -3.053
  351    HG3  MET  45           HG3      MET  45  -4.767  15.639  -3.150
  352    HE1  MET  45           HE1      MET  45  -3.937  17.194  -5.121
  353    HE2  MET  45           HE2      MET  45  -2.330  17.957  -5.127
  354    HE3  MET  45           HE3      MET  45  -2.481  16.182  -5.039
  355    H    GLY  46           H        GLY  46  -4.754  12.617  -3.152
  356    HA2  GLY  46           HA2      GLY  46  -2.009  11.658  -2.917
  357    HA3  GLY  46           HA3      GLY  46  -3.240  10.386  -2.882
  358    H    LYS  47           H        LYS  47  -1.485  10.290  -4.841
  359    HA   LYS  47           HA       LYS  47  -2.942  11.251  -7.258
  360    HB2  LYS  47           HB2      LYS  47  -0.279  11.498  -6.949
  361    HB3  LYS  47           HB3      LYS  47  -0.273   9.792  -7.336
  362    HG2  LYS  47           HG2      LYS  47   0.039  10.849  -9.417
  363    HG3  LYS  47           HG3      LYS  47  -1.663  10.403  -9.427
  364    HD2  LYS  47           HD2      LYS  47  -1.651  12.640 -10.252
  365    HD3  LYS  47           HD3      LYS  47  -2.143  12.790  -8.582
  366    HE2  LYS  47           HE2      LYS  47  -0.631  14.513  -8.781
  367    HE3  LYS  47           HE3      LYS  47   0.340  13.246  -8.026
  368    HZ1  LYS  47           HZ1      LYS  47   0.359  14.033 -10.881
  369    HZ2  LYS  47           HZ2      LYS  47   1.562  14.242  -9.807
  370    HZ3  LYS  47           HZ3      LYS  47   1.187  12.733 -10.323
  371    H    TRP  48           H        TRP  48  -4.285   9.770  -8.138
  372    HA   TRP  48           HA       TRP  48  -4.108   6.913  -7.351
  373    HB2  TRP  48           HB2      TRP  48  -6.348   7.996  -7.523
  374    HB3  TRP  48           HB3      TRP  48  -6.025   8.410  -9.194
  375    HD1  TRP  48           HD1      TRP  48  -4.771   5.003  -8.734
  376    HE1  TRP  48           HE1      TRP  48  -6.367   3.236  -9.522
  377    HE3  TRP  48           HE3      TRP  48  -8.941   7.933  -9.112
  378    HZ2  TRP  48           HZ2      TRP  48  -9.215   3.086 -10.224
  379    HZ3  TRP  48           HZ3      TRP  48 -11.094   6.945  -9.845
  380    HH2  TRP  48           HH2      TRP  48 -11.242   4.525 -10.399
  381    H    LYS  49           H        LYS  49  -2.479   5.875  -8.445
  382    HA   LYS  49           HA       LYS  49  -1.530   6.883 -11.066
  383    HB2  LYS  49           HB2      LYS  49  -0.484   4.851  -9.041
  384    HB3  LYS  49           HB3      LYS  49   0.271   5.141 -10.613
  385    HG2  LYS  49           HG2      LYS  49   0.823   7.420 -10.056
  386    HG3  LYS  49           HG3      LYS  49  -0.200   7.396  -8.619
  387    HD2  LYS  49           HD2      LYS  49   2.016   7.253  -7.863
  388    HD3  LYS  49           HD3      LYS  49   1.272   5.664  -7.610
  389    HE2  LYS  49           HE2      LYS  49   2.418   4.876  -9.724
  390    HE3  LYS  49           HE3      LYS  49   3.199   6.464  -9.831
  391    HZ1  LYS  49           HZ1      LYS  49   4.703   5.022  -8.739
  392    HZ2  LYS  49           HZ2      LYS  49   4.099   5.976  -7.539
  393    HZ3  LYS  49           HZ3      LYS  49   3.577   4.438  -7.713
  394    H    LYS  50           H        LYS  50  -3.796   6.291 -11.810
  395    HA   LYS  50           HA       LYS  50  -4.813   3.656 -11.460
  396    HB2  LYS  50           HB2      LYS  50  -6.159   5.732 -11.967
  397    HB3  LYS  50           HB3      LYS  50  -5.529   5.663 -13.625
  398    HG2  LYS  50           HG2      LYS  50  -6.468   3.317 -13.784
  399    HG3  LYS  50           HG3      LYS  50  -7.214   3.537 -12.212
  400    HD2  LYS  50           HD2      LYS  50  -8.674   5.229 -13.026
  401    HD3  LYS  50           HD3      LYS  50  -7.742   5.465 -14.514
  402    HE2  LYS  50           HE2      LYS  50  -9.158   2.858 -13.800
  403    HE3  LYS  50           HE3      LYS  50  -9.902   4.131 -14.771
  404    HZ1  LYS  50           HZ1      LYS  50  -7.373   2.758 -15.542
  405    HZ2  LYS  50           HZ2      LYS  50  -8.861   2.385 -16.119
  406    HZ3  LYS  50           HZ3      LYS  50  -8.214   3.846 -16.432
  407    H    LYS  51           H        LYS  51  -4.438   1.733 -12.676
  408    HA   LYS  51           HA       LYS  51  -2.503   1.612 -14.713
  409    HB2  LYS  51           HB2      LYS  51  -3.591  -0.340 -13.460
  410    HB3  LYS  51           HB3      LYS  51  -4.979  -0.150 -14.545
  411    HG2  LYS  51           HG2      LYS  51  -3.261  -0.404 -16.489
  412    HG3  LYS  51           HG3      LYS  51  -2.090  -0.843 -15.255
  413    HD2  LYS  51           HD2      LYS  51  -2.982  -2.860 -16.237
  414    HD3  LYS  51           HD3      LYS  51  -3.539  -2.751 -14.571
  415    HE2  LYS  51           HE2      LYS  51  -5.318  -3.538 -16.051
  416    HE3  LYS  51           HE3      LYS  51  -5.767  -2.000 -15.320
  417    HZ1  LYS  51           HZ1      LYS  51  -5.324  -0.895 -17.404
  418    HZ2  LYS  51           HZ2      LYS  51  -4.582  -2.188 -18.028
  419    HZ3  LYS  51           HZ3      LYS  51  -6.211  -2.228 -17.763
  420    H    SER  52           H        SER  52  -2.544   1.961 -16.946
  421    HA   SER  52           HA       SER  52  -4.470   3.776 -17.940
  422    HB2  SER  52           HB2      SER  52  -3.184   3.436 -20.081
  423    HB3  SER  52           HB3      SER  52  -2.200   3.834 -18.665
  424    HG   SER  52           HG       SER  52  -1.164   2.225 -19.580
  425    H    ARG  53           H        ARG  53  -5.744   3.534 -19.907
  426    HA   ARG  53           HA       ARG  53  -7.670   1.442 -19.606
  427    HB2  ARG  53           HB2      ARG  53  -8.178   3.758 -20.326
  428    HB3  ARG  53           HB3      ARG  53  -7.277   3.507 -21.824
  429    HG2  ARG  53           HG2      ARG  53  -8.877   1.714 -22.488
  430    HG3  ARG  53           HG3      ARG  53  -9.759   1.939 -20.965
  431    HD2  ARG  53           HD2      ARG  53 -10.279   4.268 -21.596
  432    HD3  ARG  53           HD3      ARG  53  -9.374   4.092 -23.100
  433    HE   ARG  53           HE       ARG  53 -12.027   3.028 -22.430
  434   HH11  ARG  53          HH11      ARG  53  -9.350   2.898 -24.765
  435   HH12  ARG  53          HH12      ARG  53 -10.303   2.219 -26.031
  436   HH21  ARG  53          HH21      ARG  53 -13.292   2.126 -24.116
  437   HH22  ARG  53          HH22      ARG  53 -12.595   1.775 -25.650
  438    H    LYS  54           H        LYS  54  -7.383  -0.595 -20.243
  439    HA   LYS  54           HA       LYS  54  -6.735  -2.445 -21.303
  440    HB2  LYS  54           HB2      LYS  54  -8.324  -1.179 -22.938
  441    HB3  LYS  54           HB3      LYS  54  -6.883  -0.963 -23.936
  442    HG2  LYS  54           HG2      LYS  54  -6.601  -3.461 -23.991
  443    HG3  LYS  54           HG3      LYS  54  -8.034  -3.625 -22.963
  444    HD2  LYS  54           HD2      LYS  54  -9.418  -2.548 -24.717
  445    HD3  LYS  54           HD3      LYS  54  -7.976  -2.368 -25.743
  446    HE2  LYS  54           HE2      LYS  54  -7.676  -4.837 -25.744
  447    HE3  LYS  54           HE3      LYS  54  -9.110  -5.016 -24.725
  448    HZ1  LYS  54           HZ1      LYS  54 -10.429  -4.070 -26.530
  449    HZ2  LYS  54           HZ2      LYS  54  -9.102  -3.903 -27.472
  450    HZ3  LYS  54           HZ3      LYS  54  -9.624  -5.386 -27.051
  451    H    THR  55           H        THR  55  -4.515  -0.657 -20.444
  452    HA   THR  55           HA       THR  55  -2.375  -2.151 -21.777
  453    HB   THR  55           HB       THR  55  -1.021   0.113 -21.671
  454    HG1  THR  55           HG1      THR  55  -2.587   1.437 -20.861
  455   HG21  THR  55          HG21      THR  55  -1.504  -1.180 -23.752
  456   HG22  THR  55          HG22      THR  55  -3.018  -0.265 -23.934
  457   HG23  THR  55          HG23      THR  55  -1.455   0.572 -23.990
  458    H    SER  56           H        SER  56  -0.235  -1.269 -20.296
  459    HA   SER  56           HA       SER  56  -1.124  -1.776 -17.491
  460    HB2  SER  56           HB2      SER  56   1.339  -2.863 -18.894
  461    HB3  SER  56           HB3      SER  56   0.753  -3.280 -17.274
  462    HG   SER  56           HG       SER  56   0.170  -4.836 -18.862
  463    H    THR  57           H        THR  57   0.063   0.686 -19.238
  464    HA   THR  57           HA       THR  57   2.215   1.630 -17.505
  465    HB   THR  57           HB       THR  57   1.699   3.757 -18.905
  466    HG1  THR  57           HG1      THR  57   0.502   3.381 -20.761
  467   HG21  THR  57          HG21      THR  57   3.586   2.219 -19.392
  468   HG22  THR  57          HG22      THR  57   2.508   1.202 -20.373
  469   HG23  THR  57          HG23      THR  57   2.869   2.868 -20.874
  470    H    ILE  58           H        ILE  58   1.599   4.144 -16.800
  471    HA   ILE  58           HA       ILE  58  -0.759   3.854 -14.981
  472    HB   ILE  58           HB       ILE  58   2.064   4.771 -14.541
  473   HG12  ILE  58          HG12      ILE  58   1.814   3.760 -12.381
  474   HG13  ILE  58          HG13      ILE  58   0.061   3.655 -12.547
  475   HG21  ILE  58          HG21      ILE  58   0.950   6.873 -14.066
  476   HG22  ILE  58          HG22      ILE  58  -0.259   6.057 -13.050
  477   HG23  ILE  58          HG23      ILE  58   1.445   6.124 -12.550
  478   HD11  ILE  58          HD11      ILE  58   1.977   2.073 -14.284
  479   HD12  ILE  58          HD12      ILE  58   1.263   1.480 -12.768
  480   HD13  ILE  58          HD13      ILE  58   0.204   1.884 -14.123
  481    H    GLU  59           H        GLU  59  -2.166   5.432 -14.941
  482    HA   GLU  59           HA       GLU  59  -1.791   7.943 -16.510
  483    HB2  GLU  59           HB2      GLU  59  -4.220   6.138 -16.124
  484    HB3  GLU  59           HB3      GLU  59  -4.391   7.844 -16.527
  485    HG2  GLU  59           HG2      GLU  59  -2.784   5.897 -18.223
  486    HG3  GLU  59           HG3      GLU  59  -4.497   6.208 -18.471
  487    H    GLU  60           H        GLU  60  -1.122   9.248 -14.852
  488    HA   GLU  60           HA       GLU  60  -1.973   8.948 -12.108
  489    HB2  GLU  60           HB2      GLU  60  -0.549  11.164 -13.647
  490    HB3  GLU  60           HB3      GLU  60  -0.890  11.242 -11.917
  491    HG2  GLU  60           HG2      GLU  60   0.423   9.204 -11.521
  492    HG3  GLU  60           HG3      GLU  60   0.753   9.056 -13.250
  493    H    LYS  61           H        LYS  61  -3.739   9.813 -11.076
  494    HA   LYS  61           HA       LYS  61  -5.119  12.177 -12.302
  495    HB2  LYS  61           HB2      LYS  61  -6.370  10.032 -12.725
  496    HB3  LYS  61           HB3      LYS  61  -6.393   9.732 -10.986
  497    HG2  LYS  61           HG2      LYS  61  -7.618  11.987 -10.746
  498    HG3  LYS  61           HG3      LYS  61  -7.779  11.980 -12.502
  499    HD2  LYS  61           HD2      LYS  61  -8.875   9.960 -10.503
  500    HD3  LYS  61           HD3      LYS  61  -9.814  11.114 -11.434
  501    HE2  LYS  61           HE2      LYS  61  -8.241   8.756 -12.588
  502    HE3  LYS  61           HE3      LYS  61  -9.970   8.761 -12.258
  503    HZ1  LYS  61           HZ1      LYS  61  -9.550   9.232 -14.574
  504    HZ2  LYS  61           HZ2      LYS  61 -10.233  10.539 -13.890
  505    HZ3  LYS  61           HZ3      LYS  61  -8.631  10.531 -14.228
  506    H    THR  62           H        THR  62  -5.186  13.821 -10.761
  507    HA   THR  62           HA       THR  62  -4.153  13.258  -8.092
  508    HB   THR  62           HB       THR  62  -5.198  15.880  -9.230
  509    HG1  THR  62           HG1      THR  62  -3.203  16.171 -10.123
  510   HG21  THR  62          HG21      THR  62  -4.630  15.824  -6.814
  511   HG22  THR  62          HG22      THR  62  -3.010  15.208  -7.204
  512   HG23  THR  62          HG23      THR  62  -3.498  16.843  -7.719
  513    H    VAL  63           H        VAL  63  -5.401  12.878  -6.268
  514    HA   VAL  63           HA       VAL  63  -8.299  13.447  -6.451
  515    HB   VAL  63           HB       VAL  63  -8.809  11.182  -5.704
  516   HG11  VAL  63          HG11      VAL  63  -8.538   9.981  -7.770
  517   HG12  VAL  63          HG12      VAL  63  -8.871  11.678  -8.133
  518   HG13  VAL  63          HG13      VAL  63  -7.220  11.045  -8.289
  519   HG21  VAL  63          HG21      VAL  63  -6.637  10.565  -4.636
  520   HG22  VAL  63          HG22      VAL  63  -7.214   9.350  -5.776
  521   HG23  VAL  63          HG23      VAL  63  -5.900  10.448  -6.246
  522    H    GLU  64           H        GLU  64  -9.374  13.429  -4.499
  523    HA   GLU  64           HA       GLU  64  -7.705  13.652  -2.021
  524    HB2  GLU  64           HB2      GLU  64  -9.085  15.659  -2.568
  525    HB3  GLU  64           HB3      GLU  64 -10.538  14.654  -2.581
  526    HG2  GLU  64           HG2      GLU  64 -10.210  14.086  -0.207
  527    HG3  GLU  64           HG3      GLU  64  -8.655  14.919  -0.190
  528    H    VAL  65           H        VAL  65  -7.788  11.808  -0.807
  529    HA   VAL  65           HA       VAL  65  -9.809   9.764  -1.441
  530    HB   VAL  65           HB       VAL  65  -8.613   8.209  -0.364
  531   HG11  VAL  65          HG11      VAL  65  -7.300   9.108  -2.313
  532   HG12  VAL  65          HG12      VAL  65  -6.308  10.025  -1.160
  533   HG13  VAL  65          HG13      VAL  65  -6.323   8.253  -1.109
  534   HG21  VAL  65          HG21      VAL  65  -7.055  10.150   1.316
  535   HG22  VAL  65          HG22      VAL  65  -8.390   9.092   1.850
  536   HG23  VAL  65          HG23      VAL  65  -6.881   8.388   1.288
  537    H    LEU  66           H        LEU  66 -11.589   9.449  -0.212
  538    HA   LEU  66           HA       LEU  66 -12.041  11.354   2.004
  539    HB2  LEU  66           HB2      LEU  66 -13.907   9.303   0.742
  540    HB3  LEU  66           HB3      LEU  66 -14.331  10.489   1.960
  541    HG   LEU  66           HG       LEU  66 -15.148  11.413   0.014
  542   HD11  LEU  66          HD11      LEU  66 -13.771  13.054   1.309
  543   HD12  LEU  66          HD12      LEU  66 -12.413  12.753   0.199
  544   HD13  LEU  66          HD13      LEU  66 -13.921  13.456  -0.410
  545   HD21  LEU  66          HD21      LEU  66 -14.095  11.575  -2.122
  546   HD22  LEU  66          HD22      LEU  66 -12.557  10.967  -1.510
  547   HD23  LEU  66          HD23      LEU  66 -13.973   9.892  -1.587
  548    H    GLY  67           H        GLY  67 -11.289   7.926   1.539
  549    HA2  GLY  67           HA2      GLY  67 -10.229   7.346   3.883
  550    HA3  GLY  67           HA3      GLY  67 -11.960   7.149   4.257
  551    H    MET  68           H        MET  68 -10.670   4.938   4.526
  552    HA   MET  68           HA       MET  68 -10.443   3.291   2.148
  553    HB2  MET  68           HB2      MET  68 -10.827   2.534   5.064
  554    HB3  MET  68           HB3      MET  68 -10.669   1.374   3.733
  555    HG2  MET  68           HG2      MET  68  -8.474   2.456   3.117
  556    HG3  MET  68           HG3      MET  68  -8.607   3.438   4.573
  557    HE1  MET  68           HE1      MET  68  -8.986  -0.371   3.466
  558    HE2  MET  68           HE2      MET  68  -7.358   0.182   3.008
  559    HE3  MET  68           HE3      MET  68  -7.554  -1.040   4.286
  560    H    ALA  69           H        ALA  69 -11.920   1.830   1.321
  561    HA   ALA  69           HA       ALA  69 -14.658   2.680   1.222
  562    HB1  ALA  69           HB1      ALA  69 -13.425   0.008   0.434
  563    HB2  ALA  69           HB2      ALA  69 -14.970   0.654  -0.134
  564    HB3  ALA  69           HB3      ALA  69 -13.467   1.458  -0.611
  565    HA   PRO  70           HA       PRO  70 -16.583   0.552   4.654
  566    HB2  PRO  70           HB2      PRO  70 -18.309  -0.831   2.586
  567    HB3  PRO  70           HB3      PRO  70 -18.804  -0.060   4.127
  568    HG2  PRO  70           HG2      PRO  70 -19.148   1.253   1.786
  569    HG3  PRO  70           HG3      PRO  70 -18.497   2.131   3.209
  570    HD2  PRO  70           HD2      PRO  70 -16.989   0.984   0.854
  571    HD3  PRO  70           HD3      PRO  70 -16.783   2.565   1.669
  572    H    ASP  71           H        ASP  71 -16.747  -1.529   5.682
  573    HA   ASP  71           HA       ASP  71 -14.760  -3.407   5.078
  574    HB2  ASP  71           HB2      ASP  71 -15.531  -4.657   6.856
  575    HB3  ASP  71           HB3      ASP  71 -16.003  -3.023   7.293
  576    H    ASP  72           H        ASP  72 -18.049  -3.184   3.856
  577    HA   ASP  72           HA       ASP  72 -18.434  -5.828   2.922
  578    HB2  ASP  72           HB2      ASP  72 -20.221  -4.150   3.042
  579    HB3  ASP  72           HB3      ASP  72 -19.419  -3.177   1.804
  580    H    GLU  73           H        GLU  73 -16.450  -3.219   1.655
  581    HA   GLU  73           HA       GLU  73 -15.869  -4.776  -0.833
  582    HB2  GLU  73           HB2      GLU  73 -15.372  -1.850  -0.142
  583    HB3  GLU  73           HB3      GLU  73 -14.815  -2.664  -1.613
  584    HG2  GLU  73           HG2      GLU  73 -17.212  -3.259  -2.129
  585    HG3  GLU  73           HG3      GLU  73 -17.716  -2.277  -0.752
  586    H    CYS  74           H        CYS  74 -14.416  -3.269   2.100
  587    HA   CYS  74           HA       CYS  74 -11.778  -4.114   1.384
  588    HB2  CYS  74           HB2      CYS  74 -12.888  -3.148   4.031
  589    HB3  CYS  74           HB3      CYS  74 -11.194  -3.581   3.749
  590    HG   CYS  74           HG       CYS  74 -12.940  -1.032   2.875
  591    H    LEU  75           H        LEU  75 -14.233  -6.070   2.011
  592    HA   LEU  75           HA       LEU  75 -12.805  -8.226   3.424
  593    HB2  LEU  75           HB2      LEU  75 -15.516  -7.825   2.143
  594    HB3  LEU  75           HB3      LEU  75 -14.922  -9.469   2.282
  595    HG   LEU  75           HG       LEU  75 -15.045  -7.640   4.701
  596   HD11  LEU  75          HD11      LEU  75 -17.185  -8.726   5.243
  597   HD12  LEU  75          HD12      LEU  75 -17.281  -7.814   3.728
  598   HD13  LEU  75          HD13      LEU  75 -17.154  -9.587   3.683
  599   HD21  LEU  75          HD21      LEU  75 -13.590  -9.651   4.905
  600   HD22  LEU  75          HD22      LEU  75 -15.015  -9.762   5.941
  601   HD23  LEU  75          HD23      LEU  75 -14.956 -10.672   4.417
  602    H    LYS  76           H        LYS  76 -13.033  -6.926   0.207
  603    HA   LYS  76           HA       LYS  76 -12.298  -9.531  -1.038
  604    HB2  LYS  76           HB2      LYS  76 -13.335  -6.948  -2.272
  605    HB3  LYS  76           HB3      LYS  76 -12.946  -8.440  -3.136
  606    HG2  LYS  76           HG2      LYS  76 -14.686  -9.653  -1.798
  607    HG3  LYS  76           HG3      LYS  76 -15.083  -8.143  -0.970
  608    HD2  LYS  76           HD2      LYS  76 -16.721  -8.484  -2.656
  609    HD3  LYS  76           HD3      LYS  76 -15.705  -7.122  -3.159
  610    HE2  LYS  76           HE2      LYS  76 -14.444  -8.633  -4.683
  611    HE3  LYS  76           HE3      LYS  76 -15.418 -10.004  -4.136
  612    HZ1  LYS  76           HZ1      LYS  76 -17.367  -8.911  -5.081
  613    HZ2  LYS  76           HZ2      LYS  76 -16.469  -7.639  -5.584
  614    HZ3  LYS  76           HZ3      LYS  76 -16.229  -9.116  -6.226
  615    H    ASP  77           H        ASP  77 -11.322  -6.057  -0.813
  616    HA   ASP  77           HA       ASP  77  -8.536  -6.749  -0.958
  617    HB2  ASP  77           HB2      ASP  77  -9.174  -6.852  -3.424
  618    HB3  ASP  77           HB3      ASP  77  -9.648  -5.160  -3.310
  619    H    MET  78           H        MET  78  -7.220  -4.633  -0.817
  620    HA   MET  78           HA       MET  78  -8.560  -2.823   1.046
  621    HB2  MET  78           HB2      MET  78  -5.770  -3.054  -0.130
  622    HB3  MET  78           HB3      MET  78  -6.251  -1.655   0.826
  623    HG2  MET  78           HG2      MET  78  -5.049  -3.368   2.105
  624    HG3  MET  78           HG3      MET  78  -6.605  -2.923   2.786
  625    HE1  MET  78           HE1      MET  78  -8.053  -4.635   3.878
  626    HE2  MET  78           HE2      MET  78  -8.881  -4.636   2.302
  627    HE3  MET  78           HE3      MET  78  -8.510  -6.168   3.112
  628    H    TYR  79           H        TYR  79  -9.879  -1.245   0.350
  629    HA   TYR  79           HA       TYR  79  -9.298   0.176  -2.215
  630    HB2  TYR  79           HB2      TYR  79 -11.929  -0.806  -1.034
  631    HB3  TYR  79           HB3      TYR  79 -11.845   0.381  -2.315
  632    HD1  TYR  79           HD1      TYR  79 -10.609  -0.311  -4.522
  633    HD2  TYR  79           HD2      TYR  79 -12.198  -3.068  -1.613
  634    HE1  TYR  79           HE1      TYR  79 -10.800  -2.047  -6.277
  635    HE2  TYR  79           HE2      TYR  79 -12.400  -4.804  -3.348
  636    HH   TYR  79           HH       TYR  79 -12.074  -5.341  -5.604
  637    H    VAL  80           H        VAL  80 -10.111   2.298  -2.336
  638    HA   VAL  80           HA       VAL  80 -10.776   3.702   0.174
  639    HB   VAL  80           HB       VAL  80  -9.139   5.513  -0.686
  640   HG11  VAL  80          HG11      VAL  80  -8.758   4.388   1.401
  641   HG12  VAL  80          HG12      VAL  80  -8.050   2.970   0.580
  642   HG13  VAL  80          HG13      VAL  80  -7.227   4.548   0.550
  643   HG21  VAL  80          HG21      VAL  80  -7.139   4.757  -1.867
  644   HG22  VAL  80          HG22      VAL  80  -7.784   3.106  -2.000
  645   HG23  VAL  80          HG23      VAL  80  -8.568   4.445  -2.864
  646    H    GLU  81           H        GLU  81 -12.065   5.445  -0.142
  647    HA   GLU  81           HA       GLU  81 -13.393   5.685  -2.788
  648    HB2  GLU  81           HB2      GLU  81 -13.992   6.894  -0.048
  649    HB3  GLU  81           HB3      GLU  81 -14.886   7.267  -1.531
  650    HG2  GLU  81           HG2      GLU  81 -15.469   4.850  -1.770
  651    HG3  GLU  81           HG3      GLU  81 -14.652   4.512  -0.244
  652    H    VAL  82           H        VAL  82 -13.038   7.533  -4.061
  653    HA   VAL  82           HA       VAL  82 -11.217   9.617  -3.023
  654    HB   VAL  82           HB       VAL  82  -9.635   9.357  -4.785
  655   HG11  VAL  82          HG11      VAL  82  -9.993   6.551  -3.683
  656   HG12  VAL  82          HG12      VAL  82  -8.500   7.324  -4.235
  657   HG13  VAL  82          HG13      VAL  82  -9.301   7.903  -2.767
  658   HG21  VAL  82          HG21      VAL  82  -9.623   7.469  -6.393
  659   HG22  VAL  82          HG22      VAL  82 -11.246   6.999  -5.843
  660   HG23  VAL  82          HG23      VAL  82 -10.979   8.564  -6.653
  661    H    ALA  83           H        ALA  83 -11.363  11.607  -4.161
  662    HA   ALA  83           HA       ALA  83 -13.463  11.759  -6.287
  663    HB1  ALA  83           HB1      ALA  83 -14.419  12.628  -4.214
  664    HB2  ALA  83           HB2      ALA  83 -12.990  13.662  -3.952
  665    HB3  ALA  83           HB3      ALA  83 -14.078  13.964  -5.325
  666    H    ASP  84           H        ASP  84 -12.947  13.114  -7.977
  667    HA   ASP  84           HA       ASP  84 -10.105  13.430  -8.458
  668    HB2  ASP  84           HB2      ASP  84 -11.576  12.795 -10.291
  669    HB3  ASP  84           HB3      ASP  84 -12.595  14.219 -10.011
  670    H    ILE  85           H        ILE  85  -8.844  15.149  -8.044
  671    HA   ILE  85           HA       ILE  85 -10.052  17.665  -7.096
  672    HB   ILE  85           HB       ILE  85  -7.169  16.767  -7.352
  673   HG12  ILE  85          HG12      ILE  85  -8.966  17.084  -4.892
  674   HG13  ILE  85          HG13      ILE  85  -8.533  15.552  -5.628
  675   HG21  ILE  85          HG21      ILE  85  -8.264  19.217  -5.909
  676   HG22  ILE  85          HG22      ILE  85  -6.562  18.716  -5.989
  677   HG23  ILE  85          HG23      ILE  85  -7.353  19.268  -7.442
  678   HD11  ILE  85          HD11      ILE  85  -7.138  15.874  -3.689
  679   HD12  ILE  85          HD12      ILE  85  -6.123  16.004  -5.129
  680   HD13  ILE  85          HD13      ILE  85  -6.619  17.459  -4.224
  681    H    GLY  86           H        GLY  86  -8.868  16.267 -10.101
  682    HA2  GLY  86           HA2      GLY  86  -7.815  18.499 -11.440
  683    HA3  GLY  86           HA3      GLY  86  -8.600  17.096 -12.184
  684    H    GLY  87           H        GLY  87 -11.226  17.314 -11.325
  685    HA2  GLY  87           HA2      GLY  87 -12.302  19.961 -11.244
  686    HA3  GLY  87           HA3      GLY  87 -12.391  19.333 -12.901
  687    H    LYS  88           H        LYS  88 -12.816  16.473 -11.806
  688    HA   LYS  88           HA       LYS  88 -15.739  16.746 -11.675
  689    HB2  LYS  88           HB2      LYS  88 -14.001  14.246 -11.771
  690    HB3  LYS  88           HB3      LYS  88 -15.743  14.313 -11.986
  691    HG2  LYS  88           HG2      LYS  88 -13.633  15.489 -13.840
  692    HG3  LYS  88           HG3      LYS  88 -14.600  14.052 -14.124
  693    HD2  LYS  88           HD2      LYS  88 -15.658  16.910 -13.975
  694    HD3  LYS  88           HD3      LYS  88 -15.401  15.953 -15.435
  695    HE2  LYS  88           HE2      LYS  88 -17.062  14.274 -14.633
  696    HE3  LYS  88           HE3      LYS  88 -17.363  15.264 -13.199
  697    HZ1  LYS  88           HZ1      LYS  88 -17.875  16.110 -15.993
  698    HZ2  LYS  88           HZ2      LYS  88 -19.009  15.669 -14.913
  699    HZ3  LYS  88           HZ3      LYS  88 -18.151  17.033 -14.672
  700    H    ASP  89           H        ASP  89 -14.440  17.796  -9.402
  701    HA   ASP  89           HA       ASP  89 -14.329  16.067  -7.143
  702    HB2  ASP  89           HB2      ASP  89 -13.324  18.304  -7.195
  703    HB3  ASP  89           HB3      ASP  89 -14.911  19.042  -7.406
  704    H    ASP  90           H        ASP  90 -17.015  17.439  -8.880
  705    HA   ASP  90           HA       ASP  90 -19.066  17.357  -6.920
  706    HB2  ASP  90           HB2      ASP  90 -19.178  18.555  -9.083
  707    HB3  ASP  90           HB3      ASP  90 -19.179  17.013  -9.941
  708    H    ASP  91           H        ASP  91 -17.314  14.698  -8.249
  709    HA   ASP  91           HA       ASP  91 -19.410  12.794  -7.390
  710    HB2  ASP  91           HB2      ASP  91 -19.546  13.123  -9.883
  711    HB3  ASP  91           HB3      ASP  91 -17.873  12.568 -10.004
  712    H    VAL  92           H        VAL  92 -18.449  10.570  -7.186
  713    HA   VAL  92           HA       VAL  92 -15.639  10.635  -6.244
  714    HB   VAL  92           HB       VAL  92 -17.237  11.195  -4.458
  715   HG11  VAL  92          HG11      VAL  92 -18.787   9.564  -3.506
  716   HG12  VAL  92          HG12      VAL  92 -19.229   9.927  -5.176
  717   HG13  VAL  92          HG13      VAL  92 -18.398   8.404  -4.790
  718   HG21  VAL  92          HG21      VAL  92 -15.938   8.501  -3.947
  719   HG22  VAL  92          HG22      VAL  92 -15.150  10.094  -3.848
  720   HG23  VAL  92          HG23      VAL  92 -16.456   9.686  -2.735
  721    H    TYR  93           H        TYR  93 -14.749   8.572  -5.974
  722    HA   TYR  93           HA       TYR  93 -15.803   6.374  -7.671
  723    HB2  TYR  93           HB2      TYR  93 -12.995   7.558  -7.778
  724    HB3  TYR  93           HB3      TYR  93 -13.666   6.331  -8.838
  725    HD1  TYR  93           HD1      TYR  93 -15.324   6.952 -10.611
  726    HD2  TYR  93           HD2      TYR  93 -13.437   9.926  -8.118
  727    HE1  TYR  93           HE1      TYR  93 -16.065   8.728 -12.173
  728    HE2  TYR  93           HE2      TYR  93 -14.197  11.713  -9.657
  729    HH   TYR  93           HH       TYR  93 -15.358  12.202 -11.604
  730    H    THR  94           H        THR  94 -13.966   4.588  -7.489
  731    HA   THR  94           HA       THR  94 -12.877   4.448  -4.727
  732    HB   THR  94           HB       THR  94 -14.098   2.005  -6.039
  733    HG1  THR  94           HG1      THR  94 -15.770   3.477  -5.701
  734   HG21  THR  94          HG21      THR  94 -12.475   1.636  -4.203
  735   HG22  THR  94          HG22      THR  94 -13.447   2.672  -3.132
  736   HG23  THR  94          HG23      THR  94 -14.109   1.137  -3.740
  737    H    ALA  95           H        ALA  95 -10.849   3.626  -4.647
  738    HA   ALA  95           HA       ALA  95  -9.584   2.561  -7.125
  739    HB1  ALA  95           HB1      ALA  95  -7.571   3.895  -6.564
  740    HB2  ALA  95           HB2      ALA  95  -8.963   4.958  -6.865
  741    HB3  ALA  95           HB3      ALA  95  -8.426   4.643  -5.203
  742    H    LYS  96           H        LYS  96  -7.725   1.197  -6.571
  743    HA   LYS  96           HA       LYS  96  -8.047  -0.262  -4.022
  744    HB2  LYS  96           HB2      LYS  96  -5.930  -0.525  -6.196
  745    HB3  LYS  96           HB3      LYS  96  -6.151  -1.606  -4.823
  746    HG2  LYS  96           HG2      LYS  96  -8.312  -2.328  -5.624
  747    HG3  LYS  96           HG3      LYS  96  -8.305  -1.157  -6.948
  748    HD2  LYS  96           HD2      LYS  96  -6.306  -3.421  -6.643
  749    HD3  LYS  96           HD3      LYS  96  -7.771  -3.468  -7.643
  750    HE2  LYS  96           HE2      LYS  96  -6.925  -1.528  -8.961
  751    HE3  LYS  96           HE3      LYS  96  -5.433  -1.543  -8.013
  752    HZ1  LYS  96           HZ1      LYS  96  -5.006  -3.788  -8.858
  753    HZ2  LYS  96           HZ2      LYS  96  -6.379  -3.755  -9.745
  754    HZ3  LYS  96           HZ3      LYS  96  -5.160  -2.732 -10.090
  755    H    LEU  97           H        LEU  97  -6.626   0.015  -2.299
  756    HA   LEU  97           HA       LEU  97  -5.086   2.416  -2.006
  757    HB2  LEU  97           HB2      LEU  97  -5.930   0.919  -0.132
  758    HB3  LEU  97           HB3      LEU  97  -4.698  -0.260  -0.593
  759    HG   LEU  97           HG       LEU  97  -2.919   1.469  -0.096
  760   HD11  LEU  97          HD11      LEU  97  -4.156   3.562  -0.342
  761   HD12  LEU  97          HD12      LEU  97  -5.327   3.064   0.903
  762   HD13  LEU  97          HD13      LEU  97  -3.654   3.422   1.345
  763   HD21  LEU  97          HD21      LEU  97  -4.828   0.856   2.196
  764   HD22  LEU  97          HD22      LEU  97  -3.574  -0.236   1.557
  765   HD23  LEU  97          HD23      LEU  97  -3.106   1.279   2.339
  766    H    SER  98           H        SER  98  -4.409  -0.791  -3.306
  767    HA   SER  98           HA       SER  98  -1.643  -0.779  -3.642
  768    HB2  SER  98           HB2      SER  98  -3.642  -1.916  -5.618
  769    HB3  SER  98           HB3      SER  98  -2.106  -2.611  -5.085
  770    HG   SER  98           HG       SER  98  -4.024  -3.586  -4.150
  771    H    ASP  99           H        ASP  99  -3.969   1.273  -5.241
  772    HA   ASP  99           HA       ASP  99  -2.233   1.665  -7.620
  773    HB2  ASP  99           HB2      ASP  99  -4.935   0.955  -7.392
  774    HB3  ASP  99           HB3      ASP  99  -5.021   2.686  -7.611
  775    H    ILE 100           H        ILE 100  -2.516   2.990  -4.699
  776    HA   ILE 100           HA       ILE 100  -2.782   5.823  -5.578
  777    HB   ILE 100           HB       ILE 100  -3.873   4.250  -3.273
  778   HG12  ILE 100          HG12      ILE 100  -5.031   5.134  -5.447
  779   HG13  ILE 100          HG13      ILE 100  -5.880   5.136  -3.900
  780   HG21  ILE 100          HG21      ILE 100  -3.225   7.201  -2.926
  781   HG22  ILE 100          HG22      ILE 100  -4.338   6.253  -1.914
  782   HG23  ILE 100          HG23      ILE 100  -2.627   5.833  -1.961
  783   HD11  ILE 100          HD11      ILE 100  -4.528   7.574  -5.092
  784   HD12  ILE 100          HD12      ILE 100  -6.247   7.155  -5.272
  785   HD13  ILE 100          HD13      ILE 100  -5.598   7.514  -3.667
  786    H    GLU 101           H        GLU 101  -1.400   7.254  -4.823
  787    HA   GLU 101           HA       GLU 101   0.793   6.432  -2.988
  788    HB2  GLU 101           HB2      GLU 101   1.589   6.388  -5.343
  789    HB3  GLU 101           HB3      GLU 101   1.103   8.078  -5.543
  790    HG2  GLU 101           HG2      GLU 101   2.697   8.706  -3.714
  791    HG3  GLU 101           HG3      GLU 101   3.182   7.014  -3.576
  792    H    ALA 102           H        ALA 102   0.465   7.700  -1.186
  793    HA   ALA 102           HA       ALA 102  -1.377   9.918  -1.279
  794    HB1  ALA 102           HB1      ALA 102  -1.243   8.588   0.727
  795    HB2  ALA 102           HB2      ALA 102   0.501   8.939   0.913
  796    HB3  ALA 102           HB3      ALA 102  -0.715  10.218   1.097
  797    H    ILE 103           H        ILE 103  -0.977  12.076  -0.750
  798    HA   ILE 103           HA       ILE 103   1.773  13.112  -1.312
  799    HB   ILE 103           HB       ILE 103  -0.955  14.195  -2.092
  800   HG12  ILE 103          HG12      ILE 103   1.360  13.370  -3.908
  801   HG13  ILE 103          HG13      ILE 103   0.026  12.299  -3.522
  802   HG21  ILE 103          HG21      ILE 103   0.244  16.059  -3.177
  803   HG22  ILE 103          HG22      ILE 103   0.570  16.047  -1.453
  804   HG23  ILE 103          HG23      ILE 103   1.794  15.423  -2.580
  805   HD11  ILE 103          HD11      ILE 103  -0.440  13.281  -5.641
  806   HD12  ILE 103          HD12      ILE 103  -1.583  13.959  -4.479
  807   HD13  ILE 103          HD13      ILE 103  -0.191  14.921  -5.039
  808    H    ASP 104           H        ASP 104   2.590  14.374   0.208
  809    HA   ASP 104           HA       ASP 104   2.937  15.404   2.156
  810    HB2  ASP 104           HB2      ASP 104   1.992  17.124   0.666
  811    HB3  ASP 104           HB3      ASP 104   0.396  16.850   1.366
  812    H    VAL 105           H        VAL 105   1.727  12.921   2.692
  813    HA   VAL 105           HA       VAL 105  -0.075  13.432   5.002
  814    HB   VAL 105           HB       VAL 105  -0.182  10.996   5.191
  815   HG11  VAL 105          HG11      VAL 105  -0.947  12.073   2.464
  816   HG12  VAL 105          HG12      VAL 105  -1.608  10.620   3.249
  817   HG13  VAL 105          HG13      VAL 105  -1.860  12.211   3.979
  818   HG21  VAL 105          HG21      VAL 105   0.664   9.484   3.502
  819   HG22  VAL 105          HG22      VAL 105   1.396  10.822   2.585
  820   HG23  VAL 105          HG23      VAL 105   2.004  10.391   4.196
  821    H    ASP 106           H        ASP 106   0.557  11.967   6.970
  822    HA   ASP 106           HA       ASP 106   3.310  12.664   7.782
  823    HB2  ASP 106           HB2      ASP 106   1.306  13.010   9.303
  824    HB3  ASP 106           HB3      ASP 106   1.174  11.244   9.370
  825    H    ASP 107           H        ASP 107   4.372  10.889   9.031
  826    HA   ASP 107           HA       ASP 107   5.283   8.952   7.168
  827    HB2  ASP 107           HB2      ASP 107   6.671   9.889   8.950
  828    HB3  ASP 107           HB3      ASP 107   5.651   9.138  10.180
  829    H    ASP 108           H        ASP 108   2.927   8.624   9.841
  830    HA   ASP 108           HA       ASP 108   2.862   5.778   9.857
  831    HB2  ASP 108           HB2      ASP 108   0.789   5.953  11.072
  832    HB3  ASP 108           HB3      ASP 108   2.026   7.008  11.723
  833    H    THR 109           H        THR 109   0.767   8.146   8.172
  834    HA   THR 109           HA       THR 109  -0.874   6.226   6.886
  835    HB   THR 109           HB       THR 109  -0.149   9.121   6.271
  836    HG1  THR 109           HG1      THR 109  -1.006   8.725   8.366
  837   HG21  THR 109          HG21      THR 109  -1.382   8.050   4.353
  838   HG22  THR 109          HG22      THR 109  -2.692   7.636   5.486
  839   HG23  THR 109          HG23      THR 109  -2.302   9.329   5.160
  840    H    GLN 110           H        GLN 110   2.153   7.900   5.851
  841    HA   GLN 110           HA       GLN 110   2.146   6.706   3.271
  842    HB2  GLN 110           HB2      GLN 110   3.406   8.747   3.942
  843    HB3  GLN 110           HB3      GLN 110   4.492   7.750   4.905
  844    HG2  GLN 110           HG2      GLN 110   5.399   8.399   2.714
  845    HG3  GLN 110           HG3      GLN 110   5.307   6.642   2.914
  846   HE21  GLN 110          HE22      GLN 110   3.754   5.441   1.638
  847   HE22  GLN 110          HE21      GLN 110   3.095   6.145   0.170
  848    H    GLU 111           H        GLU 111   3.439   5.534   6.425
  849    HA   GLU 111           HA       GLU 111   4.840   3.304   5.284
  850    HB2  GLU 111           HB2      GLU 111   3.899   4.093   8.048
  851    HB3  GLU 111           HB3      GLU 111   4.428   2.440   7.786
  852    HG2  GLU 111           HG2      GLU 111   6.124   4.814   6.948
  853    HG3  GLU 111           HG3      GLU 111   6.173   4.125   8.574
  854    H    ALA 112           H        ALA 112   1.485   3.696   6.492
  855    HA   ALA 112           HA       ALA 112   0.746   0.950   6.320
  856    HB1  ALA 112           HB1      ALA 112  -1.561   1.805   6.063
  857    HB2  ALA 112           HB2      ALA 112  -0.687   2.695   7.323
  858    HB3  ALA 112           HB3      ALA 112  -0.925   3.430   5.732
  859    H    ILE 113           H        ILE 113   0.776   3.539   3.871
  860    HA   ILE 113           HA       ILE 113  -0.283   1.978   1.709
  861    HB   ILE 113           HB       ILE 113   1.342   4.533   1.878
  862   HG12  ILE 113          HG12      ILE 113  -1.581   4.293   1.116
  863   HG13  ILE 113          HG13      ILE 113  -1.110   4.308   2.811
  864   HG21  ILE 113          HG21      ILE 113  -0.001   3.341  -0.583
  865   HG22  ILE 113          HG22      ILE 113   0.628   4.997  -0.477
  866   HG23  ILE 113          HG23      ILE 113   1.738   3.633  -0.345
  867   HD11  ILE 113          HD11      ILE 113  -0.582   6.491   0.801
  868   HD12  ILE 113          HD12      ILE 113  -1.656   6.540   2.230
  869   HD13  ILE 113          HD13      ILE 113   0.095   6.475   2.445
  870    H    ALA 114           H        ALA 114   3.094   2.942   2.568
  871    HA   ALA 114           HA       ALA 114   4.325   1.669   0.384
  872    HB1  ALA 114           HB1      ALA 114   5.470   2.276   3.148
  873    HB2  ALA 114           HB2      ALA 114   6.397   1.933   1.673
  874    HB3  ALA 114           HB3      ALA 114   5.416   3.405   1.771
  875    H    ASP 115           H        ASP 115   3.732   0.459   3.753
  876    HA   ASP 115           HA       ASP 115   5.079  -2.011   3.249
  877    HB2  ASP 115           HB2      ASP 115   4.579  -0.926   5.514
  878    HB3  ASP 115           HB3      ASP 115   2.959  -1.633   5.376
  879    H    TRP 116           H        TRP 116   1.723  -0.969   2.789
  880    HA   TRP 116           HA       TRP 116   0.661  -3.589   2.219
  881    HB2  TRP 116           HB2      TRP 116  -0.856  -1.764   2.691
  882    HB3  TRP 116           HB3      TRP 116  -0.225  -0.812   1.349
  883    HD1  TRP 116           HD1      TRP 116  -1.492  -0.998  -0.848
  884    HE1  TRP 116           HE1      TRP 116  -3.069  -2.670  -1.980
  885    HE3  TRP 116           HE3      TRP 116  -1.641  -4.571   2.826
  886    HZ2  TRP 116           HZ2      TRP 116  -4.153  -5.289  -1.414
  887    HZ3  TRP 116           HZ3      TRP 116  -2.944  -6.646   2.493
  888    HH2  TRP 116           HH2      TRP 116  -4.173  -7.032   0.360
  889    H    LEU 117           H        LEU 117   2.325  -1.084   0.229
  890    HA   LEU 117           HA       LEU 117   2.043  -2.566  -2.229
  891    HB2  LEU 117           HB2      LEU 117   3.986  -0.381  -1.398
  892    HB3  LEU 117           HB3      LEU 117   3.925  -1.067  -3.012
  893    HG   LEU 117           HG       LEU 117   1.500   0.242  -1.702
  894   HD11  LEU 117          HD11      LEU 117   2.022   2.242  -3.027
  895   HD12  LEU 117          HD12      LEU 117   3.306   1.890  -1.864
  896   HD13  LEU 117          HD13      LEU 117   3.539   1.494  -3.583
  897   HD21  LEU 117          HD21      LEU 117   2.119  -0.455  -4.600
  898   HD22  LEU 117          HD22      LEU 117   0.912  -1.238  -3.557
  899   HD23  LEU 117          HD23      LEU 117   0.701   0.448  -4.030
  900    H    TYR 118           H        TYR 118   4.514  -2.615   0.394
  901    HA   TYR 118           HA       TYR 118   6.300  -4.391  -0.971
  902    HB2  TYR 118           HB2      TYR 118   5.765  -4.293   2.018
  903    HB3  TYR 118           HB3      TYR 118   7.175  -4.952   1.232
  904    HD1  TYR 118           HD2      TYR 118   7.234  -2.292  -0.761
  905    HD2  TYR 118           HD1      TYR 118   7.267  -3.059   3.490
  906    HE1  TYR 118           HE2      TYR 118   8.273  -0.095  -0.372
  907    HE2  TYR 118           HE1      TYR 118   8.276  -0.847   3.884
  908    HH   TYR 118           HH       TYR 118   9.082   1.115   2.919
  909    H    TRP 119           H        TRP 119   3.452  -5.024   1.163
  910    HA   TRP 119           HA       TRP 119   3.610  -7.870   1.075
  911    HB2  TRP 119           HB2      TRP 119   2.290  -6.627   2.714
  912    HB3  TRP 119           HB3      TRP 119   1.338  -5.888   1.458
  913    HD1  TRP 119           HD1      TRP 119  -0.674  -7.074   0.579
  914    HE1  TRP 119           HE1      TRP 119  -2.016  -9.124   1.303
  915    HE3  TRP 119           HE3      TRP 119   2.876  -9.349   3.484
  916    HZ2  TRP 119           HZ2      TRP 119  -1.615 -11.445   3.052
  917    HZ3  TRP 119           HZ3      TRP 119   2.387 -11.476   4.633
  918    HH2  TRP 119           HH2      TRP 119   0.141 -12.527   4.442
  919    H    LEU 120           H        LEU 120   1.962  -5.465  -1.045
  920    HA   LEU 120           HA       LEU 120   0.650  -7.228  -2.739
  921    HB2  LEU 120           HB2      LEU 120   0.727  -4.571  -2.614
  922    HB3  LEU 120           HB3      LEU 120   2.026  -4.731  -3.783
  923    HG   LEU 120           HG       LEU 120   0.233  -6.283  -5.047
  924   HD11  LEU 120          HD11      LEU 120  -2.062  -5.510  -4.680
  925   HD12  LEU 120          HD12      LEU 120  -1.412  -6.058  -3.123
  926   HD13  LEU 120          HD13      LEU 120  -1.511  -4.337  -3.462
  927   HD21  LEU 120          HD21      LEU 120   1.213  -4.248  -5.998
  928   HD22  LEU 120          HD22      LEU 120  -0.534  -4.265  -6.281
  929   HD23  LEU 120          HD23      LEU 120   0.151  -3.232  -5.003
  930    H    ALA 121           H        ALA 121   3.979  -5.875  -2.986
  931    HA   ALA 121           HA       ALA 121   4.787  -7.190  -5.347
  932    HB1  ALA 121           HB1      ALA 121   7.051  -6.575  -4.660
  933    HB2  ALA 121           HB2      ALA 121   5.930  -5.232  -4.363
  934    HB3  ALA 121           HB3      ALA 121   6.494  -6.243  -3.011
  935    H    ARG 122           H        ARG 122   4.630  -8.393  -2.025
  936    HA   ARG 122           HA       ARG 122   6.384 -10.663  -2.526
  937    HB2  ARG 122           HB2      ARG 122   4.665  -9.808  -0.195
  938    HB3  ARG 122           HB3      ARG 122   5.494 -11.377  -0.238
  939    HG2  ARG 122           HG2      ARG 122   7.652 -10.293  -0.615
  940    HG3  ARG 122           HG3      ARG 122   6.889  -8.705  -0.665
  941    HD2  ARG 122           HD2      ARG 122   7.863  -8.952   1.502
  942    HD3  ARG 122           HD3      ARG 122   6.112  -9.061   1.685
  943    HE   ARG 122           HE       ARG 122   6.262 -11.321   2.213
  944   HH11  ARG 122          HH12      ARG 122   9.504 -10.377   1.042
  945   HH12  ARG 122          HH11      ARG 122  10.338 -11.329   2.237
  946   HH21  ARG 122          HH21      ARG 122   7.361 -12.846   3.452
  947   HH22  ARG 122          HH22      ARG 122   9.085 -13.075   3.268
  948    H    GLY 123           H        GLY 123   3.219 -10.088  -3.577
  949    HA2  GLY 123           HA2      GLY 123   1.876 -11.516  -4.789
  950    HA3  GLY 123           HA3      GLY 123   3.115 -12.773  -4.630
  951    H    TYR 124           H        TYR 124   1.183 -10.992  -2.222
  952    HA   TYR 124           HA       TYR 124   0.526 -13.050  -0.474
  953    HB2  TYR 124           HB2      TYR 124  -1.071 -11.561   0.413
  954    HB3  TYR 124           HB3      TYR 124   0.299 -10.599  -0.119
  955    HD1  TYR 124           HD1      TYR 124   0.045  -9.566  -2.618
  956    HD2  TYR 124           HD2      TYR 124  -3.239 -10.817  -0.102
  957    HE1  TYR 124           HE1      TYR 124  -1.494  -8.198  -3.951
  958    HE2  TYR 124           HE2      TYR 124  -4.761  -9.343  -1.352
  959    HH   TYR 124           HH       TYR 124  -4.969  -7.807  -3.112
  960    H    LYS 125           H        LYS 125  -1.703 -13.914   0.001
  961    HA   LYS 125           HA       LYS 125  -2.939 -14.896  -2.542
  962    HB2  LYS 125           HB2      LYS 125  -2.281 -16.536  -0.068
  963    HB3  LYS 125           HB3      LYS 125  -2.975 -17.123  -1.584
  964    HG2  LYS 125           HG2      LYS 125  -0.888 -16.371  -2.774
  965    HG3  LYS 125           HG3      LYS 125  -0.190 -15.964  -1.192
  966    HD2  LYS 125           HD2      LYS 125  -0.446 -18.318  -0.463
  967    HD3  LYS 125           HD3      LYS 125  -1.136 -18.734  -2.049
  968    HE2  LYS 125           HE2      LYS 125   0.966 -17.989  -3.152
  969    HE3  LYS 125           HE3      LYS 125   1.653 -17.580  -1.575
  970    HZ1  LYS 125           HZ1      LYS 125   0.863 -20.306  -2.433
  971    HZ2  LYS 125           HZ2      LYS 125   2.389 -19.750  -2.325
  972    HZ3  LYS 125           HZ3      LYS 125   1.498 -19.928  -0.974
  973    H    PHE 126           H        PHE 126  -3.775 -13.553   0.616
  974    HA   PHE 126           HA       PHE 126  -6.312 -14.919   0.749
  975    HB2  PHE 126           HB2      PHE 126  -7.003 -13.472   2.389
  976    HB3  PHE 126           HB3      PHE 126  -5.293 -13.686   2.687
  977    HD1  PHE 126           HD2      PHE 126  -7.947 -11.360   1.536
  978    HD2  PHE 126           HD1      PHE 126  -3.786 -11.761   2.571
  979    HE1  PHE 126           HE2      PHE 126  -7.731  -8.889   1.617
  980    HE2  PHE 126           HE1      PHE 126  -3.583  -9.280   2.670
  981    HZ   PHE 126           HZ       PHE 126  -5.545  -7.852   2.202
  Start of MODEL    7
    1    H1   MET   1           H1       MET   1  12.370 -16.299  -1.779
    2    H2   MET   1           H2       MET   1  11.941 -16.792  -0.270
    3    H3   MET   1           H3       MET   1  10.805 -16.602  -1.433
    4    HA   MET   1           HA       MET   1  10.691 -14.767   0.090
    5    HB2  MET   1           HB2      MET   1  13.599 -14.346  -0.736
    6    HB3  MET   1           HB3      MET   1  12.593 -13.101  -0.001
    7    HG2  MET   1           HG2      MET   1  12.201 -14.608   1.967
    8    HG3  MET   1           HG3      MET   1  13.337 -15.759   1.260
    9    HE1  MET   1           HE1      MET   1  12.809 -12.446   3.194
   10    HE2  MET   1           HE2      MET   1  14.397 -11.652   3.127
   11    HE3  MET   1           HE3      MET   1  13.392 -11.741   1.667
   12    H    ALA   2           H        ALA   2   9.903 -12.806  -0.640
   13    HA   ALA   2           HA       ALA   2   9.551 -12.473  -3.543
   14    HB1  ALA   2           HB1      ALA   2   7.666 -12.065  -2.041
   15    HB2  ALA   2           HB2      ALA   2   8.610 -10.853  -1.148
   16    HB3  ALA   2           HB3      ALA   2   8.150 -10.554  -2.840
   17    H    SER   3           H        SER   3  11.811 -11.469  -1.157
   18    HA   SER   3           HA       SER   3  13.627 -10.185  -1.182
   19    HB2  SER   3           HB2      SER   3  13.259  -9.743  -4.166
   20    HB3  SER   3           HB3      SER   3  14.720  -9.467  -3.208
   21    HG   SER   3           HG       SER   3  14.757 -11.478  -4.316
   22    H    VAL   4           H        VAL   4  10.910  -9.271  -0.689
   23    HA   VAL   4           HA       VAL   4  11.556  -6.363  -0.708
   24    HB   VAL   4           HB       VAL   4   9.812  -7.105  -2.473
   25   HG11  VAL   4          HG11      VAL   4   7.559  -7.424  -1.807
   26   HG12  VAL   4          HG12      VAL   4   8.543  -8.591  -0.920
   27   HG13  VAL   4          HG13      VAL   4   7.941  -7.134  -0.099
   28   HG21  VAL   4          HG21      VAL   4   8.494  -5.081  -2.217
   29   HG22  VAL   4          HG22      VAL   4   9.028  -4.901  -0.533
   30   HG23  VAL   4          HG23      VAL   4  10.196  -4.750  -1.863
   31    H    GLU   5           H        GLU   5  10.838  -9.154   1.087
   32    HA   GLU   5           HA       GLU   5   9.450  -8.145   3.344
   33    HB2  GLU   5           HB2      GLU   5  11.592 -10.324   3.195
   34    HB3  GLU   5           HB3      GLU   5  10.423 -10.075   4.480
   35    HG2  GLU   5           HG2      GLU   5   9.326 -11.724   3.400
   36    HG3  GLU   5           HG3      GLU   5   8.653 -10.383   2.484
   37    H    ARG   6           H        ARG   6  10.186  -6.914   5.084
   38    HA   ARG   6           HA       ARG   6  12.444  -5.351   4.828
   39    HB2  ARG   6           HB2      ARG   6  10.377  -4.946   6.193
   40    HB3  ARG   6           HB3      ARG   6  10.943  -6.121   7.377
   41    HG2  ARG   6           HG2      ARG   6  11.301  -3.797   8.089
   42    HG3  ARG   6           HG3      ARG   6  12.840  -4.649   7.967
   43    HD2  ARG   6           HD2      ARG   6  11.786  -3.125   5.589
   44    HD3  ARG   6           HD3      ARG   6  12.495  -2.214   6.956
   45    HE   ARG   6           HE       ARG   6  14.221  -4.364   6.159
   46   HH11  ARG   6          HH11      ARG   6  13.246  -1.110   5.106
   47   HH12  ARG   6          HH12      ARG   6  14.699  -0.808   4.229
   48   HH21  ARG   6          HH21      ARG   6  16.143  -3.964   5.012
   49   HH22  ARG   6          HH22      ARG   6  16.393  -2.475   4.181
   50    H    ASP   7           H        ASP   7  12.095  -8.389   6.409
   51    HA   ASP   7           HA       ASP   7  14.221  -9.798   6.450
   52    HB2  ASP   7           HB2      ASP   7  15.830  -8.079   7.043
   53    HB3  ASP   7           HB3      ASP   7  14.947  -7.713   8.536
   54    H    GLU   8           H        GLU   8  11.711 -10.207   6.721
   55    HA   GLU   8           HA       GLU   8   9.932 -10.950   7.763
   56    HB2  GLU   8           HB2      GLU   8  11.844 -12.067   9.835
   57    HB3  GLU   8           HB3      GLU   8  10.155 -12.525   9.611
   58    HG2  GLU   8           HG2      GLU   8  10.656 -13.254   7.284
   59    HG3  GLU   8           HG3      GLU   8  12.364 -12.892   7.547
   60    H    THR   9           H        THR   9  11.388  -8.277   8.931
   61    HA   THR   9           HA       THR   9  10.329  -7.945  11.515
   62    HB   THR   9           HB       THR   9  10.669  -5.633   9.619
   63    HG1  THR   9           HG1      THR   9  12.839  -7.206  10.537
   64   HG21  THR   9          HG21      THR   9  11.721  -6.100  12.431
   65   HG22  THR   9          HG22      THR   9  11.886  -4.611  11.466
   66   HG23  THR   9          HG23      THR   9  10.283  -5.152  11.991
   67    H    ARG  10           H        ARG  10   8.932  -7.092   8.293
   68    HA   ARG  10           HA       ARG  10   6.610  -5.790   9.578
   69    HB2  ARG  10           HB2      ARG  10   7.232  -6.431   6.655
   70    HB3  ARG  10           HB3      ARG  10   5.741  -5.661   7.223
   71    HG2  ARG  10           HG2      ARG  10   7.102  -3.819   8.241
   72    HG3  ARG  10           HG3      ARG  10   8.555  -4.545   7.541
   73    HD2  ARG  10           HD2      ARG  10   7.515  -4.332   5.264
   74    HD3  ARG  10           HD3      ARG  10   6.131  -3.519   5.992
   75    HE   ARG  10           HE       ARG  10   8.761  -2.431   5.420
   76   HH11  ARG  10          HH11      ARG  10   5.890  -1.939   7.483
   77   HH12  ARG  10          HH12      ARG  10   6.252  -0.249   7.752
   78   HH21  ARG  10          HH21      ARG  10   9.093  -0.143   5.723
   79   HH22  ARG  10          HH22      ARG  10   7.910   0.790   6.593
   80    H    GLU  11           H        GLU  11   7.518  -8.858   8.112
   81    HA   GLU  11           HA       GLU  11   5.001 -10.079   7.839
   82    HB2  GLU  11           HB2      GLU  11   7.751 -11.228   8.510
   83    HB3  GLU  11           HB3      GLU  11   6.368 -12.175   8.011
   84    HG2  GLU  11           HG2      GLU  11   7.923 -11.829   6.190
   85    HG3  GLU  11           HG3      GLU  11   6.323 -11.162   5.846
   86    H    HIS  12           H        HIS  12   7.301 -10.142  10.614
   87    HA   HIS  12           HA       HIS  12   5.554 -11.502  12.418
   88    HB2  HIS  12           HB2      HIS  12   7.882  -9.608  12.874
   89    HB3  HIS  12           HB3      HIS  12   6.939 -10.265  14.208
   90    HD1  HIS  12           HD1      HIS  12   9.320 -11.488  11.464
   91    HD2  HIS  12           HD2      HIS  12   7.301 -12.800  14.912
   92    HE1  HIS  12           HE1      HIS  12  10.301 -13.786  12.043
   93    H    ARG  13           H        ARG  13   5.875  -7.942  11.777
   94    HA   ARG  13           HA       ARG  13   4.014  -7.203  13.834
   95    HB2  ARG  13           HB2      ARG  13   4.835  -5.810  11.249
   96    HB3  ARG  13           HB3      ARG  13   3.765  -5.078  12.435
   97    HG2  ARG  13           HG2      ARG  13   6.576  -6.038  13.131
   98    HG3  ARG  13           HG3      ARG  13   6.206  -4.400  12.576
   99    HD2  ARG  13           HD2      ARG  13   4.686  -4.065  14.477
  100    HD3  ARG  13           HD3      ARG  13   5.007  -5.712  15.055
  101    HE   ARG  13           HE       ARG  13   7.491  -4.434  14.797
  102   HH11  ARG  13          HH11      ARG  13   4.530  -4.071  16.746
  103   HH12  ARG  13          HH12      ARG  13   5.366  -3.422  18.123
  104   HH21  ARG  13          HH21      ARG  13   8.585  -3.558  16.627
  105   HH22  ARG  13          HH22      ARG  13   7.712  -3.121  18.045
  106    H    ILE  14           H        ILE  14   3.499  -7.993  10.377
  107    HA   ILE  14           HA       ILE  14   0.714  -7.540  10.276
  108    HB   ILE  14           HB       ILE  14   2.606  -9.414   8.823
  109   HG12  ILE  14          HG12      ILE  14   1.071  -7.062   7.680
  110   HG13  ILE  14          HG13      ILE  14   2.592  -6.817   8.516
  111   HG21  ILE  14          HG21      ILE  14   0.460 -10.547   8.729
  112   HG22  ILE  14          HG22      ILE  14  -0.350  -9.048   8.205
  113   HG23  ILE  14          HG23      ILE  14   0.832  -9.864   7.157
  114   HD11  ILE  14          HD11      ILE  14   3.720  -8.360   6.903
  115   HD12  ILE  14          HD12      ILE  14   2.196  -8.481   5.997
  116   HD13  ILE  14          HD13      ILE  14   3.018  -6.920   6.151
  117    H    GLU  15           H        GLU  15   2.533 -10.557  11.070
  118    HA   GLU  15           HA       GLU  15   0.279 -12.109  11.653
  119    HB2  GLU  15           HB2      GLU  15   2.510 -13.006  11.239
  120    HB3  GLU  15           HB3      GLU  15   3.131 -12.273  12.723
  121    HG2  GLU  15           HG2      GLU  15   1.693 -13.694  14.091
  122    HG3  GLU  15           HG3      GLU  15   0.914 -14.358  12.649
  123    H    THR  16           H        THR  16   2.217 -10.073  13.915
  124    HA   THR  16           HA       THR  16   0.638 -11.051  16.151
  125    HB   THR  16           HB       THR  16   2.160  -9.533  17.468
  126    HG1  THR  16           HG1      THR  16   3.540  -9.286  15.000
  127   HG21  THR  16          HG21      THR  16   3.506 -11.553  15.616
  128   HG22  THR  16          HG22      THR  16   4.149 -10.943  17.158
  129   HG23  THR  16          HG23      THR  16   2.670 -11.916  17.140
  130    H    GLU  17           H        GLU  17   0.414  -8.205  14.134
  131    HA   GLU  17           HA       GLU  17  -1.511  -7.010  16.081
  132    HB2  GLU  17           HB2      GLU  17   0.591  -5.576  14.413
  133    HB3  GLU  17           HB3      GLU  17  -0.636  -4.802  15.411
  134    HG2  GLU  17           HG2      GLU  17   0.274  -5.996  17.421
  135    HG3  GLU  17           HG3      GLU  17   1.588  -6.617  16.420
  136    H    ILE  18           H        ILE  18  -1.362  -8.202  12.875
  137    HA   ILE  18           HA       ILE  18  -3.673  -6.439  12.150
  138    HB   ILE  18           HB       ILE  18  -1.699  -7.682  10.211
  139   HG12  ILE  18          HG12      ILE  18  -1.840  -4.874  11.391
  140   HG13  ILE  18          HG13      ILE  18  -0.499  -6.005  11.504
  141   HG21  ILE  18          HG21      ILE  18  -2.786  -6.286   8.544
  142   HG22  ILE  18          HG22      ILE  18  -4.013  -7.256   9.337
  143   HG23  ILE  18          HG23      ILE  18  -3.830  -5.554   9.786
  144   HD11  ILE  18          HD11      ILE  18  -0.237  -5.825   8.989
  145   HD12  ILE  18          HD12      ILE  18  -1.394  -4.479   9.040
  146   HD13  ILE  18          HD13      ILE  18   0.138  -4.362   9.921
  147    H    ILE  19           H        ILE  19  -2.333  -9.801  11.790
  148    HA   ILE  19           HA       ILE  19  -5.144 -10.713  11.383
  149    HB   ILE  19           HB       ILE  19  -4.234 -12.331   9.826
  150   HG12  ILE  19          HG12      ILE  19  -1.642 -10.741   9.888
  151   HG13  ILE  19          HG13      ILE  19  -1.866 -12.206  10.862
  152   HG21  ILE  19          HG21      ILE  19  -4.063 -10.830   7.958
  153   HG22  ILE  19          HG22      ILE  19  -5.178 -10.093   9.110
  154   HG23  ILE  19          HG23      ILE  19  -3.510  -9.498   8.980
  155   HD11  ILE  19          HD11      ILE  19  -2.458 -13.447   8.823
  156   HD12  ILE  19          HD12      ILE  19  -2.082 -11.992   7.856
  157   HD13  ILE  19          HD13      ILE  19  -0.797 -12.790   8.802
  158    H    VAL  20           H        VAL  20  -3.385 -10.731  13.908
  159    HA   VAL  20           HA       VAL  20  -2.374 -13.125  14.547
  160    HB   VAL  20           HB       VAL  20  -2.368 -11.045  15.887
  161   HG11  VAL  20          HG11      VAL  20  -4.066 -10.616  17.581
  162   HG12  VAL  20          HG12      VAL  20  -4.811 -10.595  15.978
  163   HG13  VAL  20          HG13      VAL  20  -5.020 -12.010  17.036
  164   HG21  VAL  20          HG21      VAL  20  -3.031 -13.537  17.501
  165   HG22  VAL  20          HG22      VAL  20  -1.448 -13.149  16.788
  166   HG23  VAL  20          HG23      VAL  20  -2.119 -12.118  18.064
  167    H    ASP  21           H        ASP  21  -5.911 -12.570  14.644
  168    HA   ASP  21           HA       ASP  21  -6.269 -15.409  15.471
  169    HB2  ASP  21           HB2      ASP  21  -7.110 -13.649  17.004
  170    HB3  ASP  21           HB3      ASP  21  -8.183 -13.072  15.728
  171    H    ALA  22           H        ALA  22  -5.926 -13.906  12.753
  172    HA   ALA  22           HA       ALA  22  -8.445 -14.636  11.352
  173    HB1  ALA  22           HB1      ALA  22  -6.401 -12.476  10.745
  174    HB2  ALA  22           HB2      ALA  22  -7.817 -12.881   9.786
  175    HB3  ALA  22           HB3      ALA  22  -8.030 -12.218  11.426
  176    H    GLU  23           H        GLU  23  -8.335 -15.894   9.850
  177    HA   GLU  23           HA       GLU  23  -6.020 -16.632   8.192
  178    HB2  GLU  23           HB2      GLU  23  -5.942 -18.838   8.838
  179    HB3  GLU  23           HB3      GLU  23  -5.951 -17.926  10.345
  180    HG2  GLU  23           HG2      GLU  23  -8.330 -19.376   9.150
  181    HG3  GLU  23           HG3      GLU  23  -7.257 -20.027  10.377
  182    H    ASP  24           H        ASP  24  -9.460 -16.762   8.973
  183    HA   ASP  24           HA       ASP  24 -10.409 -18.070   6.592
  184    HB2  ASP  24           HB2      ASP  24 -11.740 -16.116   8.506
  185    HB3  ASP  24           HB3      ASP  24 -12.576 -17.163   7.377
  186    H    LYS  25           H        LYS  25 -11.166 -16.888   4.696
  187    HA   LYS  25           HA       LYS  25  -9.545 -14.773   3.832
  188    HB2  LYS  25           HB2      LYS  25 -12.431 -15.212   2.923
  189    HB3  LYS  25           HB3      LYS  25 -11.150 -14.427   2.008
  190    HG2  LYS  25           HG2      LYS  25 -11.191 -17.348   2.828
  191    HG3  LYS  25           HG3      LYS  25 -11.738 -16.717   1.276
  192    HD2  LYS  25           HD2      LYS  25  -9.520 -15.960   0.681
  193    HD3  LYS  25           HD3      LYS  25  -8.880 -16.337   2.297
  194    HE2  LYS  25           HE2      LYS  25  -9.133 -18.672   2.002
  195    HE3  LYS  25           HE3      LYS  25 -10.188 -18.482   0.594
  196    HZ1  LYS  25           HZ1      LYS  25  -7.323 -17.714   0.595
  197    HZ2  LYS  25           HZ2      LYS  25  -7.897 -19.144   0.024
  198    HZ3  LYS  25           HZ3      LYS  25  -8.331 -17.747  -0.695
  199    H    GLU  26           H        GLU  26 -12.729 -14.653   5.413
  200    HA   GLU  26           HA       GLU  26 -13.123 -11.905   4.785
  201    HB2  GLU  26           HB2      GLU  26 -14.476 -13.706   6.853
  202    HB3  GLU  26           HB3      GLU  26 -15.039 -12.092   6.397
  203    HG2  GLU  26           HG2      GLU  26 -15.309 -12.869   4.036
  204    HG3  GLU  26           HG3      GLU  26 -14.806 -14.488   4.514
  205    H    GLU  27           H        GLU  27 -11.775 -13.747   7.575
  206    HA   GLU  27           HA       GLU  27 -11.666 -11.433   9.295
  207    HB2  GLU  27           HB2      GLU  27 -10.197 -14.084   9.527
  208    HB3  GLU  27           HB3      GLU  27 -10.297 -12.787  10.740
  209    HG2  GLU  27           HG2      GLU  27 -12.879 -13.042  10.498
  210    HG3  GLU  27           HG3      GLU  27 -12.480 -14.558   9.673
  211    H    ARG  28           H        ARG  28  -9.273 -13.122   7.110
  212    HA   ARG  28           HA       ARG  28  -7.178 -11.312   7.993
  213    HB2  ARG  28           HB2      ARG  28  -7.435 -13.055   5.512
  214    HB3  ARG  28           HB3      ARG  28  -6.052 -11.973   5.796
  215    HG2  ARG  28           HG2      ARG  28  -5.672 -13.019   8.019
  216    HG3  ARG  28           HG3      ARG  28  -6.980 -14.161   7.686
  217    HD2  ARG  28           HD2      ARG  28  -4.503 -13.865   5.954
  218    HD3  ARG  28           HD3      ARG  28  -4.609 -15.001   7.305
  219    HE   ARG  28           HE       ARG  28  -6.759 -15.820   6.038
  220   HH11  ARG  28          HH22      ARG  28  -3.616 -15.044   4.602
  221   HH12  ARG  28          HH21      ARG  28  -3.897 -15.982   3.169
  222   HH21  ARG  28          HH11      ARG  28  -7.059 -17.151   4.279
  223   HH22  ARG  28          HH12      ARG  28  -6.044 -16.968   2.859
  224    H    ALA  29           H        ALA  29  -9.555 -11.064   5.287
  225    HA   ALA  29           HA       ALA  29  -8.540  -8.640   4.268
  226    HB1  ALA  29           HB1      ALA  29 -10.763  -8.389   3.286
  227    HB2  ALA  29           HB2      ALA  29 -10.219 -10.068   3.142
  228    HB3  ALA  29           HB3      ALA  29 -11.421  -9.638   4.378
  229    H    MET  30           H        MET  30 -11.037  -9.197   6.857
  230    HA   MET  30           HA       MET  30 -11.399  -6.413   7.387
  231    HB2  MET  30           HB2      MET  30 -11.949  -8.872   9.062
  232    HB3  MET  30           HB3      MET  30 -12.358  -7.234   9.567
  233    HG2  MET  30           HG2      MET  30 -13.411  -8.591   7.056
  234    HG3  MET  30           HG3      MET  30 -14.263  -8.410   8.577
  235    HE1  MET  30           HE1      MET  30 -12.474  -5.742   5.802
  236    HE2  MET  30           HE2      MET  30 -13.410  -7.126   5.221
  237    HE3  MET  30           HE3      MET  30 -14.081  -5.484   5.121
  238    H    GLY  31           H        GLY  31  -9.098  -8.766   8.824
  239    HA2  GLY  31           HA2      GLY  31  -8.107  -7.132  10.890
  240    HA3  GLY  31           HA3      GLY  31  -7.206  -8.400  10.031
  241    H    TRP  32           H        TRP  32  -6.946  -7.488   7.478
  242    HA   TRP  32           HA       TRP  32  -4.995  -5.421   7.590
  243    HB2  TRP  32           HB2      TRP  32  -6.558  -6.731   5.353
  244    HB3  TRP  32           HB3      TRP  32  -5.560  -5.322   5.042
  245    HD1  TRP  32           HD1      TRP  32  -5.267  -9.011   5.507
  246    HE1  TRP  32           HE1      TRP  32  -2.847  -9.741   5.128
  247    HE3  TRP  32           HE3      TRP  32  -3.069  -4.431   5.570
  248    HZ2  TRP  32           HZ2      TRP  32  -0.213  -8.480   5.195
  249    HZ3  TRP  32           HZ3      TRP  32  -0.601  -4.198   5.392
  250    HH2  TRP  32           HH2      TRP  32   0.828  -6.213   5.197
  251    H    TYR  33           H        TYR  33  -8.474  -5.290   6.587
  252    HA   TYR  33           HA       TYR  33  -8.487  -2.617   5.761
  253    HB2  TYR  33           HB2      TYR  33 -10.269  -4.066   5.168
  254    HB3  TYR  33           HB3      TYR  33 -10.551  -4.532   6.828
  255    HD1  TYR  33           HD2      TYR  33 -10.483  -1.198   5.035
  256    HD2  TYR  33           HD1      TYR  33 -12.620  -3.933   7.589
  257    HE1  TYR  33           HE2      TYR  33 -12.332   0.425   5.231
  258    HE2  TYR  33           HE1      TYR  33 -14.459  -2.301   7.813
  259    HH   TYR  33           HH       TYR  33 -14.436   0.871   6.117
  260    H    TYR  34           H        TYR  34  -9.260  -3.933   9.049
  261    HA   TYR  34           HA       TYR  34 -10.047  -1.425  10.143
  262    HB2  TYR  34           HB2      TYR  34  -8.878  -3.885  11.509
  263    HB3  TYR  34           HB3      TYR  34  -9.692  -2.558  12.319
  264    HD1  TYR  34           HD1      TYR  34 -11.876  -2.712   9.705
  265    HD2  TYR  34           HD2      TYR  34 -10.428  -5.272  12.869
  266    HE1  TYR  34           HE1      TYR  34 -14.018  -3.929   9.699
  267    HE2  TYR  34           HE2      TYR  34 -12.568  -6.515  12.845
  268    HH   TYR  34           HH       TYR  34 -15.268  -5.663  10.627
  269    H    TYR  35           H        TYR  35  -6.881  -3.188  10.183
  270    HA   TYR  35           HA       TYR  35  -5.602  -1.199  11.820
  271    HB2  TYR  35           HB2      TYR  35  -4.909  -3.609  11.556
  272    HB3  TYR  35           HB3      TYR  35  -4.418  -3.263   9.903
  273    HD1  TYR  35           HD1      TYR  35  -3.609  -2.812  13.480
  274    HD2  TYR  35           HD2      TYR  35  -2.372  -1.962   9.435
  275    HE1  TYR  35           HE1      TYR  35  -1.370  -2.177  14.307
  276    HE2  TYR  35           HE2      TYR  35  -0.128  -1.320  10.249
  277    HH   TYR  35           HH       TYR  35   0.763  -1.419  13.735
  278    H    LEU  36           H        LEU  36  -5.836  -1.668   8.238
  279    HA   LEU  36           HA       LEU  36  -3.964   0.400   7.619
  280    HB2  LEU  36           HB2      LEU  36  -5.985  -1.205   6.085
  281    HB3  LEU  36           HB3      LEU  36  -5.572   0.362   5.430
  282    HG   LEU  36           HG       LEU  36  -3.305  -0.109   5.176
  283   HD11  LEU  36          HD11      LEU  36  -3.651  -2.632   6.827
  284   HD12  LEU  36          HD12      LEU  36  -2.216  -2.265   5.828
  285   HD13  LEU  36          HD13      LEU  36  -2.621  -1.231   7.184
  286   HD21  LEU  36          HD21      LEU  36  -4.883  -1.171   3.542
  287   HD22  LEU  36          HD22      LEU  36  -3.331  -2.017   3.657
  288   HD23  LEU  36          HD23      LEU  36  -4.773  -2.684   4.457
  289    H    ASP  37           H        ASP  37  -7.645   0.465   7.856
  290    HA   ASP  37           HA       ASP  37  -7.673   3.298   7.367
  291    HB2  ASP  37           HB2      ASP  37  -9.873   2.130   7.606
  292    HB3  ASP  37           HB3      ASP  37  -9.511   1.771   9.289
  293    H    ASP  38           H        ASP  38  -7.220   1.401  10.478
  294    HA   ASP  38           HA       ASP  38  -7.453   3.845  11.663
  295    HB2  ASP  38           HB2      ASP  38  -7.804   1.771  12.926
  296    HB3  ASP  38           HB3      ASP  38  -6.049   1.717  13.198
  297    H    THR  39           H        THR  39  -4.695   2.509  10.174
  298    HA   THR  39           HA       THR  39  -2.708   4.148  11.592
  299    HB   THR  39           HB       THR  39  -2.596   2.406   9.085
  300    HG1  THR  39           HG1      THR  39  -3.047   1.134  10.772
  301   HG21  THR  39          HG21      THR  39  -0.148   2.384   9.515
  302   HG22  THR  39          HG22      THR  39  -0.797   3.988   9.126
  303   HG23  THR  39          HG23      THR  39  -0.382   3.590  10.811
  304    H    LEU  40           H        LEU  40  -4.490   4.182   8.486
  305    HA   LEU  40           HA       LEU  40  -3.225   6.519   7.390
  306    HB2  LEU  40           HB2      LEU  40  -5.926   5.217   6.896
  307    HB3  LEU  40           HB3      LEU  40  -5.221   6.456   5.860
  308    HG   LEU  40           HG       LEU  40  -3.829   3.787   6.362
  309   HD11  LEU  40          HD11      LEU  40  -5.614   4.396   3.979
  310   HD12  LEU  40          HD12      LEU  40  -4.793   2.874   4.360
  311   HD13  LEU  40          HD13      LEU  40  -6.136   3.416   5.371
  312   HD21  LEU  40          HD21      LEU  40  -3.559   5.799   4.108
  313   HD22  LEU  40          HD22      LEU  40  -2.371   5.425   5.386
  314   HD23  LEU  40          HD23      LEU  40  -2.784   4.205   4.191
  315    H    GLU  41           H        GLU  41  -3.718   8.641   7.725
  316    HA   GLU  41           HA       GLU  41  -6.060   9.329   9.447
  317    HB2  GLU  41           HB2      GLU  41  -3.274  10.514   9.346
  318    HB3  GLU  41           HB3      GLU  41  -4.645  11.308  10.134
  319    HG2  GLU  41           HG2      GLU  41  -3.662   8.509  10.837
  320    HG3  GLU  41           HG3      GLU  41  -3.187   9.973  11.683
  321    H    PHE  42           H        PHE  42  -7.061   9.045   7.358
  322    HA   PHE  42           HA       PHE  42  -6.926  10.812   5.195
  323    HB2  PHE  42           HB2      PHE  42  -9.349   9.518   6.512
  324    HB3  PHE  42           HB3      PHE  42  -9.320  10.183   4.901
  325    HD1  PHE  42           HD1      PHE  42  -8.059   9.074   3.058
  326    HD2  PHE  42           HD2      PHE  42  -8.475   7.263   6.965
  327    HE1  PHE  42           HE1      PHE  42  -7.709   6.815   2.077
  328    HE2  PHE  42           HE2      PHE  42  -8.160   5.041   5.959
  329    HZ   PHE  42           HZ       PHE  42  -7.811   4.806   3.506
  330    HA   PRO  43           HA       PRO  43  -8.566  11.887   3.806
  331    HB2  PRO  43           HB2      PRO  43  -8.764  14.376   2.732
  332    HB3  PRO  43           HB3      PRO  43 -10.176  13.497   3.396
  333    HG2  PRO  43           HG2      PRO  43  -8.494  15.620   4.763
  334    HG3  PRO  43           HG3      PRO  43 -10.280  15.509   4.676
  335    HD2  PRO  43           HD2      PRO  43  -8.847  14.613   6.838
  336    HD3  PRO  43           HD3      PRO  43 -10.344  13.800   6.294
  337    H    PHE  44           H        PHE  44  -6.886  12.134   2.217
  338    HA   PHE  44           HA       PHE  44  -4.635  13.906   2.807
  339    HB2  PHE  44           HB2      PHE  44  -2.940  12.259   2.790
  340    HB3  PHE  44           HB3      PHE  44  -4.054  11.838   4.072
  341    HD1  PHE  44           HD2      PHE  44  -2.740  10.920   0.758
  342    HD2  PHE  44           HD1      PHE  44  -5.251   9.663   4.014
  343    HE1  PHE  44           HE2      PHE  44  -2.844   8.664  -0.228
  344    HE2  PHE  44           HE1      PHE  44  -5.286   7.366   3.075
  345    HZ   PHE  44           HZ       PHE  44  -4.133   6.864   0.936
  346    H    MET  45           H        MET  45  -3.075  13.863   0.851
  347    HA   MET  45           HA       MET  45  -4.719  13.595  -1.617
  348    HB2  MET  45           HB2      MET  45  -3.754  15.811  -1.016
  349    HB3  MET  45           HB3      MET  45  -2.136  15.096  -0.968
  350    HG2  MET  45           HG2      MET  45  -2.369  14.519  -3.393
  351    HG3  MET  45           HG3      MET  45  -3.928  15.352  -3.409
  352    HE1  MET  45           HE1      MET  45  -1.549  15.778  -5.338
  353    HE2  MET  45           HE2      MET  45  -2.999  16.794  -5.476
  354    HE3  MET  45           HE3      MET  45  -1.388  17.549  -5.473
  355    H    GLY  46           H        GLY  46  -3.900  12.346  -3.429
  356    HA2  GLY  46           HA2      GLY  46  -1.218  11.230  -3.220
  357    HA3  GLY  46           HA3      GLY  46  -2.518  10.030  -3.146
  358    H    LYS  47           H        LYS  47  -0.809   9.770  -5.097
  359    HA   LYS  47           HA       LYS  47  -2.156  10.802  -7.546
  360    HB2  LYS  47           HB2      LYS  47   0.491  10.832  -7.290
  361    HB3  LYS  47           HB3      LYS  47   0.369   9.093  -7.498
  362    HG2  LYS  47           HG2      LYS  47   0.757   9.893  -9.678
  363    HG3  LYS  47           HG3      LYS  47  -0.974   9.593  -9.655
  364    HD2  LYS  47           HD2      LYS  47  -0.809  11.718 -10.693
  365    HD3  LYS  47           HD3      LYS  47  -1.228  12.107  -9.039
  366    HE2  LYS  47           HE2      LYS  47   0.459  13.628  -9.488
  367    HE3  LYS  47           HE3      LYS  47   1.309  12.359  -8.602
  368    HZ1  LYS  47           HZ1      LYS  47   1.983  11.471 -10.863
  369    HZ2  LYS  47           HZ2      LYS  47   1.332  12.819 -11.526
  370    HZ3  LYS  47           HZ3      LYS  47   2.589  12.953 -10.504
  371    H    TRP  48           H        TRP  48  -3.495   9.402  -8.562
  372    HA   TRP  48           HA       TRP  48  -3.709   6.596  -7.614
  373    HB2  TRP  48           HB2      TRP  48  -5.782   7.952  -7.906
  374    HB3  TRP  48           HB3      TRP  48  -5.383   8.196  -9.597
  375    HD1  TRP  48           HD1      TRP  48  -4.546   4.716  -8.959
  376    HE1  TRP  48           HE1      TRP  48  -6.381   3.118  -9.589
  377    HE3  TRP  48           HE3      TRP  48  -8.397   8.069  -9.283
  378    HZ2  TRP  48           HZ2      TRP  48  -9.250   3.242 -10.152
  379    HZ3  TRP  48           HZ3      TRP  48 -10.694   7.283  -9.788
  380    HH2  TRP  48           HH2      TRP  48 -11.127   4.875 -10.231
  381    H    LYS  49           H        LYS  49  -2.021   5.484  -8.501
  382    HA   LYS  49           HA       LYS  49  -1.059   5.940 -11.247
  383    HB2  LYS  49           HB2      LYS  49  -0.096   4.364  -8.815
  384    HB3  LYS  49           HB3      LYS  49   0.477   3.978 -10.440
  385    HG2  LYS  49           HG2      LYS  49   1.305   6.239 -10.770
  386    HG3  LYS  49           HG3      LYS  49   0.727   6.732  -9.165
  387    HD2  LYS  49           HD2      LYS  49   2.291   5.282  -8.059
  388    HD3  LYS  49           HD3      LYS  49   2.687   4.429  -9.569
  389    HE2  LYS  49           HE2      LYS  49   3.688   6.435 -10.517
  390    HE3  LYS  49           HE3      LYS  49   3.239   7.386  -9.089
  391    HZ1  LYS  49           HZ1      LYS  49   5.543   6.685  -8.978
  392    HZ2  LYS  49           HZ2      LYS  49   4.699   5.994  -7.756
  393    HZ3  LYS  49           HZ3      LYS  49   5.134   5.108  -9.072
  394    H    LYS  50           H        LYS  50  -3.168   5.414 -12.026
  395    HA   LYS  50           HA       LYS  50  -4.504   2.879 -11.460
  396    HB2  LYS  50           HB2      LYS  50  -5.715   4.846 -12.403
  397    HB3  LYS  50           HB3      LYS  50  -4.684   4.798 -13.834
  398    HG2  LYS  50           HG2      LYS  50  -6.791   3.823 -14.414
  399    HG3  LYS  50           HG3      LYS  50  -5.585   2.536 -14.389
  400    HD2  LYS  50           HD2      LYS  50  -6.414   1.806 -12.146
  401    HD3  LYS  50           HD3      LYS  50  -7.555   3.153 -12.153
  402    HE2  LYS  50           HE2      LYS  50  -8.783   1.203 -12.741
  403    HE3  LYS  50           HE3      LYS  50  -8.650   2.204 -14.189
  404    HZ1  LYS  50           HZ1      LYS  50  -8.239  -0.152 -14.622
  405    HZ2  LYS  50           HZ2      LYS  50  -6.915   0.723 -14.997
  406    HZ3  LYS  50           HZ3      LYS  50  -6.962  -0.172 -13.613
  407    H    LYS  51           H        LYS  51  -3.806   0.839 -12.226
  408    HA   LYS  51           HA       LYS  51  -1.648   0.678 -14.081
  409    HB2  LYS  51           HB2      LYS  51  -2.241  -0.963 -12.251
  410    HB3  LYS  51           HB3      LYS  51  -3.519  -1.581 -13.306
  411    HG2  LYS  51           HG2      LYS  51  -1.728  -2.052 -15.058
  412    HG3  LYS  51           HG3      LYS  51  -0.523  -1.440 -13.924
  413    HD2  LYS  51           HD2      LYS  51  -0.466  -3.828 -13.861
  414    HD3  LYS  51           HD3      LYS  51  -1.134  -3.259 -12.322
  415    HE2  LYS  51           HE2      LYS  51  -3.431  -3.752 -13.138
  416    HE3  LYS  51           HE3      LYS  51  -2.778  -4.261 -14.700
  417    HZ1  LYS  51           HZ1      LYS  51  -1.632  -6.071 -13.553
  418    HZ2  LYS  51           HZ2      LYS  51  -2.232  -5.596 -12.108
  419    HZ3  LYS  51           HZ3      LYS  51  -3.232  -6.149 -13.268
  420    H    SER  52           H        SER  52  -2.795   2.221 -15.605
  421    HA   SER  52           HA       SER  52  -3.783   2.726 -17.562
  422    HB2  SER  52           HB2      SER  52  -1.830   1.371 -18.209
  423    HB3  SER  52           HB3      SER  52  -2.838  -0.078 -18.222
  424    HG   SER  52           HG       SER  52  -2.560   0.748 -20.296
  425    H    ARG  53           H        ARG  53  -5.085   1.227 -19.469
  426    HA   ARG  53           HA       ARG  53  -7.614   0.311 -18.169
  427    HB2  ARG  53           HB2      ARG  53  -7.759   2.654 -18.999
  428    HB3  ARG  53           HB3      ARG  53  -7.266   2.128 -20.598
  429    HG2  ARG  53           HG2      ARG  53  -9.680   2.533 -20.495
  430    HG3  ARG  53           HG3      ARG  53  -9.335   0.861 -20.895
  431    HD2  ARG  53           HD2      ARG  53 -11.195   0.973 -19.348
  432    HD3  ARG  53           HD3      ARG  53  -9.826   0.186 -18.555
  433    HE   ARG  53           HE       ARG  53  -9.826   3.016 -18.038
  434   HH11  ARG  53          HH11      ARG  53 -11.542   0.056 -17.095
  435   HH12  ARG  53          HH12      ARG  53 -12.054   0.665 -15.567
  436   HH21  ARG  53          HH21      ARG  53 -10.524   3.842 -16.007
  437   HH22  ARG  53          HH22      ARG  53 -11.471   2.874 -14.944
  438    H    LYS  54           H        LYS  54  -5.161  -0.181 -20.652
  439    HA   LYS  54           HA       LYS  54  -6.593  -2.636 -21.567
  440    HB2  LYS  54           HB2      LYS  54  -5.206  -0.559 -23.322
  441    HB3  LYS  54           HB3      LYS  54  -5.848  -2.108 -23.872
  442    HG2  LYS  54           HG2      LYS  54  -8.144  -1.400 -23.176
  443    HG3  LYS  54           HG3      LYS  54  -7.491   0.172 -22.695
  444    HD2  LYS  54           HD2      LYS  54  -8.493   0.416 -24.847
  445    HD3  LYS  54           HD3      LYS  54  -6.740   0.577 -25.030
  446    HE2  LYS  54           HE2      LYS  54  -6.611  -1.772 -25.842
  447    HE3  LYS  54           HE3      LYS  54  -8.353  -1.956 -25.603
  448    HZ1  LYS  54           HZ1      LYS  54  -7.084  -0.073 -27.509
  449    HZ2  LYS  54           HZ2      LYS  54  -7.816  -1.473 -27.904
  450    HZ3  LYS  54           HZ3      LYS  54  -8.696  -0.248 -27.293
  451    H    THR  55           H        THR  55  -3.813  -1.575 -20.040
  452    HA   THR  55           HA       THR  55  -2.138  -3.766 -21.102
  453    HB   THR  55           HB       THR  55  -0.250  -2.002 -21.192
  454    HG1  THR  55           HG1      THR  55  -0.797  -0.072 -20.720
  455   HG21  THR  55          HG21      THR  55  -0.687  -1.339 -23.462
  456   HG22  THR  55          HG22      THR  55  -1.281  -2.994 -23.252
  457   HG23  THR  55          HG23      THR  55  -2.426  -1.632 -23.290
  458    H    SER  56           H        SER  56  -0.049  -3.868 -19.698
  459    HA   SER  56           HA       SER  56  -0.798  -3.777 -16.885
  460    HB2  SER  56           HB2      SER  56   1.832  -4.583 -18.184
  461    HB3  SER  56           HB3      SER  56   1.255  -5.017 -16.565
  462    HG   SER  56           HG       SER  56   0.935  -6.697 -18.102
  463    H    THR  57           H        THR  57   0.263  -1.299 -18.837
  464    HA   THR  57           HA       THR  57   2.471  -0.233 -17.315
  465    HB   THR  57           HB       THR  57   1.937   1.757 -18.872
  466    HG1  THR  57           HG1      THR  57   0.425   1.496 -20.351
  467   HG21  THR  57          HG21      THR  57   2.843   0.626 -20.850
  468   HG22  THR  57          HG22      THR  57   3.676   0.064 -19.392
  469   HG23  THR  57          HG23      THR  57   2.448  -0.964 -20.164
  470    H    ILE  58           H        ILE  58   2.044   2.347 -16.843
  471    HA   ILE  58           HA       ILE  58  -0.181   2.453 -14.845
  472    HB   ILE  58           HB       ILE  58   2.632   3.579 -14.742
  473   HG12  ILE  58          HG12      ILE  58   2.537   1.190 -14.146
  474   HG13  ILE  58          HG13      ILE  58   3.008   2.208 -12.798
  475   HG21  ILE  58          HG21      ILE  58   2.031   4.419 -12.450
  476   HG22  ILE  58          HG22      ILE  58   1.231   5.265 -13.770
  477   HG23  ILE  58          HG23      ILE  58   0.321   4.070 -12.834
  478   HD11  ILE  58          HD11      ILE  58   0.269   0.948 -13.201
  479   HD12  ILE  58          HD12      ILE  58   1.516   0.425 -12.067
  480   HD13  ILE  58          HD13      ILE  58   0.720   1.987 -11.830
  481    H    GLU  59           H        GLU  59  -1.338   4.309 -14.802
  482    HA   GLU  59           HA       GLU  59  -0.697   6.577 -16.586
  483    HB2  GLU  59           HB2      GLU  59  -3.400   5.199 -16.164
  484    HB3  GLU  59           HB3      GLU  59  -3.227   6.807 -16.853
  485    HG2  GLU  59           HG2      GLU  59  -2.120   4.224 -18.040
  486    HG3  GLU  59           HG3      GLU  59  -3.568   5.064 -18.575
  487    H    GLU  60           H        GLU  60  -1.507   8.585 -15.510
  488    HA   GLU  60           HA       GLU  60  -1.722   8.189 -12.552
  489    HB2  GLU  60           HB2      GLU  60   0.001  10.105 -14.161
  490    HB3  GLU  60           HB3      GLU  60  -0.297  10.249 -12.425
  491    HG2  GLU  60           HG2      GLU  60   0.654   8.009 -12.047
  492    HG3  GLU  60           HG3      GLU  60   0.970   7.836 -13.779
  493    H    LYS  61           H        LYS  61  -3.218   9.317 -11.489
  494    HA   LYS  61           HA       LYS  61  -4.282  11.845 -12.689
  495    HB2  LYS  61           HB2      LYS  61  -5.888   9.616 -11.350
  496    HB3  LYS  61           HB3      LYS  61  -6.508  11.236 -11.679
  497    HG2  LYS  61           HG2      LYS  61  -6.171  10.911 -14.097
  498    HG3  LYS  61           HG3      LYS  61  -5.548   9.279 -13.819
  499    HD2  LYS  61           HD2      LYS  61  -8.355  10.216 -13.091
  500    HD3  LYS  61           HD3      LYS  61  -7.919   9.325 -14.558
  501    HE2  LYS  61           HE2      LYS  61  -7.066   7.441 -13.156
  502    HE3  LYS  61           HE3      LYS  61  -7.564   8.310 -11.700
  503    HZ1  LYS  61           HZ1      LYS  61  -9.861   8.212 -12.530
  504    HZ2  LYS  61           HZ2      LYS  61  -9.383   7.351 -13.834
  505    HZ3  LYS  61           HZ3      LYS  61  -9.236   6.718 -12.333
  506    H    THR  62           H        THR  62  -4.780  13.388 -10.980
  507    HA   THR  62           HA       THR  62  -3.322  12.762  -8.445
  508    HB   THR  62           HB       THR  62  -4.077  15.474  -9.602
  509    HG1  THR  62           HG1      THR  62  -2.614  14.516 -10.994
  510   HG21  THR  62          HG21      THR  62  -3.605  15.432  -7.178
  511   HG22  THR  62          HG22      THR  62  -2.052  14.621  -7.480
  512   HG23  THR  62          HG23      THR  62  -2.327  16.281  -8.065
  513    H    VAL  63           H        VAL  63  -4.548  12.545  -6.576
  514    HA   VAL  63           HA       VAL  63  -7.400  13.328  -6.744
  515    HB   VAL  63           HB       VAL  63  -8.040  11.128  -5.925
  516   HG11  VAL  63          HG11      VAL  63  -8.027  11.541  -8.389
  517   HG12  VAL  63          HG12      VAL  63  -6.424  10.788  -8.486
  518   HG13  VAL  63          HG13      VAL  63  -7.827   9.845  -7.947
  519   HG21  VAL  63          HG21      VAL  63  -5.906  10.424  -4.827
  520   HG22  VAL  63          HG22      VAL  63  -6.567   9.206  -5.919
  521   HG23  VAL  63          HG23      VAL  63  -5.183  10.191  -6.431
  522    H    GLU  64           H        GLU  64  -8.475  13.399  -4.817
  523    HA   GLU  64           HA       GLU  64  -6.849  13.689  -2.327
  524    HB2  GLU  64           HB2      GLU  64  -8.237  15.666  -2.992
  525    HB3  GLU  64           HB3      GLU  64  -9.680  14.646  -2.985
  526    HG2  GLU  64           HG2      GLU  64  -9.418  14.218  -0.582
  527    HG3  GLU  64           HG3      GLU  64  -7.856  15.036  -0.570
  528    H    VAL  65           H        VAL  65  -7.227  12.108  -0.777
  529    HA   VAL  65           HA       VAL  65  -8.993   9.854  -1.555
  530    HB   VAL  65           HB       VAL  65  -6.654   9.745   0.380
  531   HG11  VAL  65          HG11      VAL  65  -7.894   7.631  -1.435
  532   HG12  VAL  65          HG12      VAL  65  -6.705   7.377  -0.142
  533   HG13  VAL  65          HG13      VAL  65  -8.363   7.884   0.248
  534   HG21  VAL  65          HG21      VAL  65  -5.599  10.564  -1.653
  535   HG22  VAL  65          HG22      VAL  65  -5.266   8.840  -1.506
  536   HG23  VAL  65          HG23      VAL  65  -6.500   9.403  -2.649
  537    H    LEU  66           H        LEU  66 -10.851   9.822  -0.444
  538    HA   LEU  66           HA       LEU  66 -11.179  11.631   1.819
  539    HB2  LEU  66           HB2      LEU  66 -13.170   9.741   0.482
  540    HB3  LEU  66           HB3      LEU  66 -13.551  10.934   1.699
  541    HG   LEU  66           HG       LEU  66 -14.277  11.870  -0.276
  542   HD11  LEU  66          HD11      LEU  66 -12.995  13.901  -0.588
  543   HD12  LEU  66          HD12      LEU  66 -12.983  13.461   1.127
  544   HD13  LEU  66          HD13      LEU  66 -11.548  13.161   0.118
  545   HD21  LEU  66          HD21      LEU  66 -11.623  11.400  -1.675
  546   HD22  LEU  66          HD22      LEU  66 -13.066  10.369  -1.846
  547   HD23  LEU  66          HD23      LEU  66 -13.114  12.063  -2.350
  548    H    GLY  67           H        GLY  67 -10.978   8.078   1.426
  549    HA2  GLY  67           HA2      GLY  67 -10.563   7.423   4.113
  550    HA3  GLY  67           HA3      GLY  67 -12.307   7.406   3.824
  551    H    MET  68           H        MET  68 -11.185   5.052   4.424
  552    HA   MET  68           HA       MET  68 -10.558   3.431   2.081
  553    HB2  MET  68           HB2      MET  68 -11.694   2.670   4.801
  554    HB3  MET  68           HB3      MET  68 -11.247   1.519   3.540
  555    HG2  MET  68           HG2      MET  68  -9.327   3.434   4.887
  556    HG3  MET  68           HG3      MET  68  -9.555   1.757   5.347
  557    HE1  MET  68           HE1      MET  68  -9.591  -0.048   2.886
  558    HE2  MET  68           HE2      MET  68  -7.860  -0.311   2.589
  559    HE3  MET  68           HE3      MET  68  -8.470  -0.287   4.253
  560    H    ALA  69           H        ALA  69 -12.024   1.976   1.056
  561    HA   ALA  69           HA       ALA  69 -14.700   2.950   0.545
  562    HB1  ALA  69           HB1      ALA  69 -13.289   1.648  -1.071
  563    HB2  ALA  69           HB2      ALA  69 -13.448   0.228   0.003
  564    HB3  ALA  69           HB3      ALA  69 -14.868   0.905  -0.809
  565    HA   PRO  70           HA       PRO  70 -17.100   0.855   3.707
  566    HB2  PRO  70           HB2      PRO  70 -18.388  -0.765   1.497
  567    HB3  PRO  70           HB3      PRO  70 -19.168   0.062   2.884
  568    HG2  PRO  70           HG2      PRO  70 -19.212   1.210   0.436
  569    HG3  PRO  70           HG3      PRO  70 -18.832   2.213   1.876
  570    HD2  PRO  70           HD2      PRO  70 -16.928   0.996  -0.129
  571    HD3  PRO  70           HD3      PRO  70 -16.924   2.648   0.564
  572    H    ASP  71           H        ASP  71 -17.222  -1.133   4.885
  573    HA   ASP  71           HA       ASP  71 -15.135  -2.985   4.604
  574    HB2  ASP  71           HB2      ASP  71 -16.048  -4.138   6.379
  575    HB3  ASP  71           HB3      ASP  71 -16.599  -2.492   6.658
  576    H    ASP  72           H        ASP  72 -18.342  -2.950   3.119
  577    HA   ASP  72           HA       ASP  72 -18.489  -5.669   2.318
  578    HB2  ASP  72           HB2      ASP  72 -20.401  -4.121   2.278
  579    HB3  ASP  72           HB3      ASP  72 -19.628  -3.178   1.000
  580    H    GLU  73           H        GLU  73 -16.710  -2.945   0.981
  581    HA   GLU  73           HA       GLU  73 -15.927  -4.418  -1.479
  582    HB2  GLU  73           HB2      GLU  73 -15.117  -1.694  -0.357
  583    HB3  GLU  73           HB3      GLU  73 -14.519  -2.373  -1.863
  584    HG2  GLU  73           HG2      GLU  73 -17.455  -1.756  -1.312
  585    HG3  GLU  73           HG3      GLU  73 -16.336  -0.680  -2.129
  586    H    CYS  74           H        CYS  74 -14.614  -3.200   1.634
  587    HA   CYS  74           HA       CYS  74 -11.992  -4.146   1.086
  588    HB2  CYS  74           HB2      CYS  74 -13.160  -3.239   3.732
  589    HB3  CYS  74           HB3      CYS  74 -11.444  -3.459   3.348
  590    HG   CYS  74           HG       CYS  74 -13.663  -1.347   2.141
  591    H    LEU  75           H        LEU  75 -14.491  -6.062   1.592
  592    HA   LEU  75           HA       LEU  75 -13.200  -8.155   3.219
  593    HB2  LEU  75           HB2      LEU  75 -15.807  -7.828   1.716
  594    HB3  LEU  75           HB3      LEU  75 -15.245  -9.455   2.061
  595    HG   LEU  75           HG       LEU  75 -15.530  -7.386   4.266
  596   HD11  LEU  75          HD11      LEU  75 -17.708  -8.405   4.767
  597   HD12  LEU  75          HD12      LEU  75 -17.693  -7.667   3.158
  598   HD13  LEU  75          HD13      LEU  75 -17.574  -9.434   3.319
  599   HD21  LEU  75          HD21      LEU  75 -14.111  -9.371   4.791
  600   HD22  LEU  75          HD22      LEU  75 -15.610  -9.366   5.722
  601   HD23  LEU  75          HD23      LEU  75 -15.449 -10.434   4.313
  602    H    LYS  76           H        LYS  76 -13.128  -7.018  -0.060
  603    HA   LYS  76           HA       LYS  76 -12.278  -9.703  -1.065
  604    HB2  LYS  76           HB2      LYS  76 -13.292  -7.258  -2.567
  605    HB3  LYS  76           HB3      LYS  76 -12.853  -8.804  -3.286
  606    HG2  LYS  76           HG2      LYS  76 -15.136  -8.349  -1.315
  607    HG3  LYS  76           HG3      LYS  76 -15.288  -8.527  -3.065
  608    HD2  LYS  76           HD2      LYS  76 -14.348 -10.840  -2.892
  609    HD3  LYS  76           HD3      LYS  76 -14.312 -10.668  -1.121
  610    HE2  LYS  76           HE2      LYS  76 -16.757 -10.263  -1.104
  611    HE3  LYS  76           HE3      LYS  76 -16.803 -10.422  -2.864
  612    HZ1  LYS  76           HZ1      LYS  76 -17.448 -12.473  -1.777
  613    HZ2  LYS  76           HZ2      LYS  76 -16.074 -12.722  -2.614
  614    HZ3  LYS  76           HZ3      LYS  76 -16.029 -12.580  -0.984
  615    H    ASP  77           H        ASP  77 -11.390  -6.218  -1.008
  616    HA   ASP  77           HA       ASP  77  -8.569  -6.813  -1.154
  617    HB2  ASP  77           HB2      ASP  77  -9.217  -7.068  -3.576
  618    HB3  ASP  77           HB3      ASP  77  -9.869  -5.434  -3.543
  619    H    MET  78           H        MET  78  -7.372  -4.552  -1.119
  620    HA   MET  78           HA       MET  78  -8.952  -2.829   0.698
  621    HB2  MET  78           HB2      MET  78  -6.065  -2.663  -0.246
  622    HB3  MET  78           HB3      MET  78  -6.819  -1.538   0.885
  623    HG2  MET  78           HG2      MET  78  -6.425  -4.510   1.314
  624    HG3  MET  78           HG3      MET  78  -5.492  -3.212   2.040
  625    HE1  MET  78           HE1      MET  78  -9.201  -5.238   3.628
  626    HE2  MET  78           HE2      MET  78  -9.126  -4.922   1.888
  627    HE3  MET  78           HE3      MET  78  -7.836  -5.853   2.685
  628    H    TYR  79           H        TYR  79  -9.958  -0.984   0.099
  629    HA   TYR  79           HA       TYR  79  -9.249   0.344  -2.455
  630    HB2  TYR  79           HB2      TYR  79 -12.037  -0.475  -1.557
  631    HB3  TYR  79           HB3      TYR  79 -11.693   0.575  -2.912
  632    HD1  TYR  79           HD2      TYR  79 -10.543  -0.397  -4.985
  633    HD2  TYR  79           HD1      TYR  79 -12.121  -2.827  -1.794
  634    HE1  TYR  79           HE2      TYR  79 -10.728  -2.311  -6.540
  635    HE2  TYR  79           HE1      TYR  79 -12.348  -4.731  -3.336
  636    HH   TYR  79           HH       TYR  79 -12.046  -5.500  -5.529
  637    H    VAL  80           H        VAL  80 -10.053   2.502  -2.580
  638    HA   VAL  80           HA       VAL  80 -10.755   3.832  -0.025
  639    HB   VAL  80           HB       VAL  80  -9.039   5.597  -0.713
  640   HG11  VAL  80          HG11      VAL  80  -7.190   4.495   0.465
  641   HG12  VAL  80          HG12      VAL  80  -8.739   4.238   1.262
  642   HG13  VAL  80          HG13      VAL  80  -8.013   2.924   0.306
  643   HG21  VAL  80          HG21      VAL  80  -7.749   3.279  -2.235
  644   HG22  VAL  80          HG22      VAL  80  -8.482   4.717  -2.979
  645   HG23  VAL  80          HG23      VAL  80  -7.057   4.889  -1.945
  646    H    GLU  81           H        GLU  81 -11.881   5.720  -0.289
  647    HA   GLU  81           HA       GLU  81 -13.210   6.140  -2.896
  648    HB2  GLU  81           HB2      GLU  81 -13.543   7.460  -0.163
  649    HB3  GLU  81           HB3      GLU  81 -14.450   7.898  -1.621
  650    HG2  GLU  81           HG2      GLU  81 -15.283   5.523  -1.752
  651    HG3  GLU  81           HG3      GLU  81 -14.504   5.200  -0.201
  652    H    VAL  82           H        VAL  82 -12.717   7.903  -4.187
  653    HA   VAL  82           HA       VAL  82 -10.607   9.774  -3.294
  654    HB   VAL  82           HB       VAL  82  -9.487   9.399  -5.545
  655   HG11  VAL  82          HG11      VAL  82  -9.360   7.092  -3.573
  656   HG12  VAL  82          HG12      VAL  82  -8.142   7.507  -4.797
  657   HG13  VAL  82          HG13      VAL  82  -8.480   8.638  -3.482
  658   HG21  VAL  82          HG21      VAL  82  -9.714   7.279  -6.684
  659   HG22  VAL  82          HG22      VAL  82 -10.969   6.738  -5.551
  660   HG23  VAL  82          HG23      VAL  82 -11.277   8.097  -6.658
  661    H    ALA  83           H        ALA  83 -10.588  11.755  -4.443
  662    HA   ALA  83           HA       ALA  83 -12.775  12.171  -6.430
  663    HB1  ALA  83           HB1      ALA  83 -11.904  14.034  -4.175
  664    HB2  ALA  83           HB2      ALA  83 -12.987  14.481  -5.510
  665    HB3  ALA  83           HB3      ALA  83 -13.489  13.236  -4.354
  666    H    ASP  84           H        ASP  84 -12.068  13.112  -8.259
  667    HA   ASP  84           HA       ASP  84  -9.222  13.253  -8.761
  668    HB2  ASP  84           HB2      ASP  84 -10.888  12.428 -10.379
  669    HB3  ASP  84           HB3      ASP  84 -11.650  14.013 -10.435
  670    H    ILE  85           H        ILE  85  -7.911  14.967  -8.531
  671    HA   ILE  85           HA       ILE  85  -9.054  17.626  -7.853
  672    HB   ILE  85           HB       ILE  85  -6.180  16.664  -7.784
  673   HG12  ILE  85          HG12      ILE  85  -8.086  16.986  -5.414
  674   HG13  ILE  85          HG13      ILE  85  -7.639  15.443  -6.121
  675   HG21  ILE  85          HG21      ILE  85  -7.451  19.101  -6.461
  676   HG22  ILE  85          HG22      ILE  85  -5.729  18.669  -6.439
  677   HG23  ILE  85          HG23      ILE  85  -6.465  19.164  -7.942
  678   HD11  ILE  85          HD11      ILE  85  -5.242  15.881  -5.587
  679   HD12  ILE  85          HD12      ILE  85  -5.731  17.361  -4.721
  680   HD13  ILE  85          HD13      ILE  85  -6.277  15.798  -4.156
  681    H    GLY  86           H        GLY  86  -7.459  15.828 -10.451
  682    HA2  GLY  86           HA2      GLY  86  -6.243  18.108 -11.785
  683    HA3  GLY  86           HA3      GLY  86  -6.398  16.444 -12.377
  684    H    GLY  87           H        GLY  87  -9.398  16.510 -11.836
  685    HA2  GLY  87           HA2      GLY  87 -10.525  18.650 -13.434
  686    HA3  GLY  87           HA3      GLY  87 -10.542  17.075 -14.253
  687    H    LYS  88           H        LYS  88 -12.906  18.171 -13.735
  688    HA   LYS  88           HA       LYS  88 -14.922  18.069 -12.839
  689    HB2  LYS  88           HB2      LYS  88 -14.123  15.557 -11.330
  690    HB3  LYS  88           HB3      LYS  88 -15.749  16.163 -11.642
  691    HG2  LYS  88           HG2      LYS  88 -15.221  15.947 -14.151
  692    HG3  LYS  88           HG3      LYS  88 -13.736  15.120 -13.673
  693    HD2  LYS  88           HD2      LYS  88 -15.250  13.394 -14.148
  694    HD3  LYS  88           HD3      LYS  88 -15.210  13.463 -12.379
  695    HE2  LYS  88           HE2      LYS  88 -17.326  14.793 -12.398
  696    HE3  LYS  88           HE3      LYS  88 -17.312  14.780 -14.167
  697    HZ1  LYS  88           HZ1      LYS  88 -17.675  12.427 -12.394
  698    HZ2  LYS  88           HZ2      LYS  88 -18.774  13.087 -13.405
  699    HZ3  LYS  88           HZ3      LYS  88 -17.472  12.321 -14.022
  700    H    ASP  89           H        ASP  89 -12.741  17.130 -10.128
  701    HA   ASP  89           HA       ASP  89 -12.642  17.758  -7.977
  702    HB2  ASP  89           HB2      ASP  89 -11.508  19.574  -9.210
  703    HB3  ASP  89           HB3      ASP  89 -13.005  20.510  -9.173
  704    H    ASP  90           H        ASP  90 -15.352  17.130  -8.910
  705    HA   ASP  90           HA       ASP  90 -16.960  18.259  -6.696
  706    HB2  ASP  90           HB2      ASP  90 -17.118  19.809  -8.678
  707    HB3  ASP  90           HB3      ASP  90 -17.747  18.466  -9.631
  708    H    ASP  91           H        ASP  91 -15.860  15.522  -7.808
  709    HA   ASP  91           HA       ASP  91 -18.307  13.961  -7.443
  710    HB2  ASP  91           HB2      ASP  91 -18.267  14.506  -9.892
  711    HB3  ASP  91           HB3      ASP  91 -16.666  13.772 -10.003
  712    H    VAL  92           H        VAL  92 -17.724  11.592  -7.309
  713    HA   VAL  92           HA       VAL  92 -14.975  11.186  -6.291
  714    HB   VAL  92           HB       VAL  92 -16.518  11.959  -4.540
  715   HG11  VAL  92          HG11      VAL  92 -18.654  11.013  -5.344
  716   HG12  VAL  92          HG12      VAL  92 -18.075   9.379  -4.950
  717   HG13  VAL  92          HG13      VAL  92 -18.324  10.576  -3.665
  718   HG21  VAL  92          HG21      VAL  92 -15.612   9.099  -4.086
  719   HG22  VAL  92          HG22      VAL  92 -14.648  10.580  -3.866
  720   HG23  VAL  92          HG23      VAL  92 -16.045  10.280  -2.836
  721    H    TYR  93           H        TYR  93 -14.328   9.083  -6.195
  722    HA   TYR  93           HA       TYR  93 -15.773   6.951  -7.666
  723    HB2  TYR  93           HB2      TYR  93 -12.948   7.981  -8.207
  724    HB3  TYR  93           HB3      TYR  93 -13.642   6.545  -8.926
  725    HD1  TYR  93           HD1      TYR  93 -15.402   6.678 -10.650
  726    HD2  TYR  93           HD2      TYR  93 -13.530  10.217  -9.037
  727    HE1  TYR  93           HE1      TYR  93 -16.192   7.974 -12.600
  728    HE2  TYR  93           HE2      TYR  93 -14.327  11.529 -10.984
  729    HH   TYR  93           HH       TYR  93 -16.178  10.017 -13.680
  730    H    THR  94           H        THR  94 -13.970   5.032  -7.593
  731    HA   THR  94           HA       THR  94 -12.805   4.840  -4.860
  732    HB   THR  94           HB       THR  94 -14.339   2.570  -6.175
  733    HG1  THR  94           HG1      THR  94 -15.789   4.189  -5.603
  734   HG21  THR  94          HG21      THR  94 -13.332   2.968  -3.321
  735   HG22  THR  94          HG22      THR  94 -14.272   1.579  -3.913
  736   HG23  THR  94          HG23      THR  94 -12.642   1.865  -4.536
  737    H    ALA  95           H        ALA  95 -10.836   3.869  -4.841
  738    HA   ALA  95           HA       ALA  95  -9.716   2.732  -7.367
  739    HB1  ALA  95           HB1      ALA  95  -8.897   5.055  -7.061
  740    HB2  ALA  95           HB2      ALA  95  -8.391   4.673  -5.403
  741    HB3  ALA  95           HB3      ALA  95  -7.589   3.888  -6.775
  742    H    LYS  96           H        LYS  96  -8.057   1.106  -6.925
  743    HA   LYS  96           HA       LYS  96  -8.363  -0.252  -4.329
  744    HB2  LYS  96           HB2      LYS  96  -6.801  -1.888  -5.180
  745    HB3  LYS  96           HB3      LYS  96  -8.219  -1.680  -6.198
  746    HG2  LYS  96           HG2      LYS  96  -6.799  -0.247  -7.762
  747    HG3  LYS  96           HG3      LYS  96  -5.409  -0.651  -6.744
  748    HD2  LYS  96           HD2      LYS  96  -5.361  -2.170  -8.570
  749    HD3  LYS  96           HD3      LYS  96  -5.916  -3.095  -7.160
  750    HE2  LYS  96           HE2      LYS  96  -8.275  -2.824  -7.934
  751    HE3  LYS  96           HE3      LYS  96  -7.711  -1.888  -9.321
  752    HZ1  LYS  96           HZ1      LYS  96  -8.118  -4.195  -9.909
  753    HZ2  LYS  96           HZ2      LYS  96  -6.531  -3.877 -10.087
  754    HZ3  LYS  96           HZ3      LYS  96  -7.059  -4.736  -8.798
  755    H    LEU  97           H        LEU  97  -6.915  -0.116  -2.700
  756    HA   LEU  97           HA       LEU  97  -5.207   2.141  -2.442
  757    HB2  LEU  97           HB2      LEU  97  -6.194   0.780  -0.568
  758    HB3  LEU  97           HB3      LEU  97  -5.081  -0.528  -0.979
  759    HG   LEU  97           HG       LEU  97  -3.144   0.946  -0.420
  760   HD11  LEU  97          HD11      LEU  97  -3.636   3.063   0.876
  761   HD12  LEU  97          HD12      LEU  97  -4.032   3.184  -0.839
  762   HD13  LEU  97          HD13      LEU  97  -5.323   2.941   0.363
  763   HD21  LEU  97          HD21      LEU  97  -5.243   0.755   1.780
  764   HD22  LEU  97          HD22      LEU  97  -4.147  -0.549   1.266
  765   HD23  LEU  97          HD23      LEU  97  -3.486   0.915   2.005
  766    H    SER  98           H        SER  98  -4.698  -1.079  -3.789
  767    HA   SER  98           HA       SER  98  -1.902  -1.209  -3.925
  768    HB2  SER  98           HB2      SER  98  -3.929  -2.255  -5.936
  769    HB3  SER  98           HB3      SER  98  -2.351  -2.943  -5.548
  770    HG   SER  98           HG       SER  98  -4.085  -4.027  -4.464
  771    H    ASP  99           H        ASP  99  -4.024   0.941  -5.662
  772    HA   ASP  99           HA       ASP  99  -1.953   1.497  -7.744
  773    HB2  ASP  99           HB2      ASP  99  -4.983   1.478  -7.840
  774    HB3  ASP  99           HB3      ASP  99  -4.083   2.542  -8.888
  775    H    ILE 100           H        ILE 100  -2.617   2.583  -4.802
  776    HA   ILE 100           HA       ILE 100  -2.632   5.464  -5.580
  777    HB   ILE 100           HB       ILE 100  -3.902   3.976  -3.309
  778   HG12  ILE 100          HG12      ILE 100  -4.951   4.821  -5.523
  779   HG13  ILE 100          HG13      ILE 100  -5.828   5.050  -4.006
  780   HG21  ILE 100          HG21      ILE 100  -4.286   6.075  -2.042
  781   HG22  ILE 100          HG22      ILE 100  -2.605   5.540  -2.007
  782   HG23  ILE 100          HG23      ILE 100  -3.074   6.900  -3.049
  783   HD11  ILE 100          HD11      ILE 100  -5.930   6.950  -5.595
  784   HD12  ILE 100          HD12      ILE 100  -5.330   7.393  -3.988
  785   HD13  ILE 100          HD13      ILE 100  -4.192   7.220  -5.350
  786    H    GLU 101           H        GLU 101  -1.201   6.749  -4.777
  787    HA   GLU 101           HA       GLU 101   0.909   5.781  -2.921
  788    HB2  GLU 101           HB2      GLU 101   1.720   5.597  -5.290
  789    HB3  GLU 101           HB3      GLU 101   1.381   7.316  -5.525
  790    HG2  GLU 101           HG2      GLU 101   2.995   7.826  -3.650
  791    HG3  GLU 101           HG3      GLU 101   3.372   6.104  -3.554
  792    H    ALA 102           H        ALA 102   0.968   7.277  -1.213
  793    HA   ALA 102           HA       ALA 102  -0.732   9.645  -1.411
  794    HB1  ALA 102           HB1      ALA 102   0.080  10.098   0.885
  795    HB2  ALA 102           HB2      ALA 102  -0.629   8.508   0.723
  796    HB3  ALA 102           HB3      ALA 102   1.148   8.678   0.784
  797    H    ILE 103           H        ILE 103  -0.068  11.776  -1.147
  798    HA   ILE 103           HA       ILE 103   2.769  12.416  -1.839
  799    HB   ILE 103           HB       ILE 103   0.178  13.840  -2.544
  800   HG12  ILE 103          HG12      ILE 103   2.208  12.633  -4.480
  801   HG13  ILE 103          HG13      ILE 103   0.808  11.737  -3.921
  802   HG21  ILE 103          HG21      ILE 103   2.003  15.464  -2.103
  803   HG22  ILE 103          HG22      ILE 103   3.048  14.600  -3.250
  804   HG23  ILE 103          HG23      ILE 103   1.584  15.438  -3.810
  805   HD11  ILE 103          HD11      ILE 103   0.253  12.684  -6.042
  806   HD12  ILE 103          HD12      ILE 103  -0.698  13.524  -4.812
  807   HD13  ILE 103          HD13      ILE 103   0.728  14.309  -5.537
  808    H    ASP 104           H        ASP 104   3.816  13.595  -0.425
  809    HA   ASP 104           HA       ASP 104   4.398  14.658   1.453
  810    HB2  ASP 104           HB2      ASP 104   3.749  16.410  -0.145
  811    HB3  ASP 104           HB3      ASP 104   2.136  16.467   0.569
  812    H    VAL 105           H        VAL 105   2.862  12.486   2.211
  813    HA   VAL 105           HA       VAL 105   0.959  13.496   4.241
  814    HB   VAL 105           HB       VAL 105   0.444  11.730   2.429
  815   HG11  VAL 105          HG11      VAL 105   1.721   9.883   4.466
  816   HG12  VAL 105          HG12      VAL 105   0.697   9.385   3.128
  817   HG13  VAL 105          HG13      VAL 105   2.266  10.148   2.802
  818   HG21  VAL 105          HG21      VAL 105  -1.275  10.820   3.717
  819   HG22  VAL 105          HG22      VAL 105  -0.464  11.209   5.255
  820   HG23  VAL 105          HG23      VAL 105  -1.055  12.502   4.199
  821    H    ASP 106           H        ASP 106   0.874  11.998   6.319
  822    HA   ASP 106           HA       ASP 106   3.455  12.444   7.623
  823    HB2  ASP 106           HB2      ASP 106   1.160  12.938   8.655
  824    HB3  ASP 106           HB3      ASP 106   0.998  11.175   8.823
  825    H    ASP 107           H        ASP 107   4.199  10.759   9.128
  826    HA   ASP 107           HA       ASP 107   5.355   8.687   7.571
  827    HB2  ASP 107           HB2      ASP 107   6.448   9.671   9.521
  828    HB3  ASP 107           HB3      ASP 107   5.208   9.010  10.589
  829    H    ASP 108           H        ASP 108   2.695   8.452   9.990
  830    HA   ASP 108           HA       ASP 108   2.538   5.591   9.868
  831    HB2  ASP 108           HB2      ASP 108   0.598   7.746  10.769
  832    HB3  ASP 108           HB3      ASP 108   0.131   6.052  10.715
  833    H    THR 109           H        THR 109   0.808   8.187   8.048
  834    HA   THR 109           HA       THR 109  -0.949   6.352   6.694
  835    HB   THR 109           HB       THR 109  -0.104   9.182   5.922
  836    HG1  THR 109           HG1      THR 109  -1.050   9.224   7.965
  837   HG21  THR 109          HG21      THR 109  -2.318   9.323   4.878
  838   HG22  THR 109          HG22      THR 109  -1.343   8.061   4.096
  839   HG23  THR 109          HG23      THR 109  -2.642   7.643   5.248
  840    H    GLN 110           H        GLN 110   2.256   7.788   5.922
  841    HA   GLN 110           HA       GLN 110   2.464   6.622   3.340
  842    HB2  GLN 110           HB2      GLN 110   3.882   8.474   4.569
  843    HB3  GLN 110           HB3      GLN 110   4.862   7.125   5.136
  844    HG2  GLN 110           HG2      GLN 110   4.243   7.864   2.236
  845    HG3  GLN 110           HG3      GLN 110   5.746   8.208   3.080
  846   HE21  GLN 110          HE22      GLN 110   4.280   6.024   0.959
  847   HE22  GLN 110          HE21      GLN 110   5.317   4.646   1.226
  848    H    GLU 111           H        GLU 111   3.475   5.407   6.602
  849    HA   GLU 111           HA       GLU 111   4.749   3.059   5.736
  850    HB2  GLU 111           HB2      GLU 111   3.427   3.989   8.289
  851    HB3  GLU 111           HB3      GLU 111   3.824   2.287   8.155
  852    HG2  GLU 111           HG2      GLU 111   5.856   4.472   7.587
  853    HG3  GLU 111           HG3      GLU 111   5.584   3.803   9.200
  854    H    ALA 112           H        ALA 112   1.292   3.559   6.543
  855    HA   ALA 112           HA       ALA 112   0.502   0.833   6.253
  856    HB1  ALA 112           HB1      ALA 112  -1.769   1.819   5.821
  857    HB2  ALA 112           HB2      ALA 112  -0.969   2.487   7.252
  858    HB3  ALA 112           HB3      ALA 112  -1.012   3.428   5.750
  859    H    ILE 113           H        ILE 113   0.710   3.498   3.850
  860    HA   ILE 113           HA       ILE 113  -0.318   1.958   1.657
  861    HB   ILE 113           HB       ILE 113   1.259   4.528   1.925
  862   HG12  ILE 113          HG12      ILE 113  -1.601   4.089   0.970
  863   HG13  ILE 113          HG13      ILE 113  -1.209   4.210   2.682
  864   HG21  ILE 113          HG21      ILE 113   1.876   3.673  -0.261
  865   HG22  ILE 113          HG22      ILE 113   0.176   3.324  -0.657
  866   HG23  ILE 113          HG23      ILE 113   0.735   5.000  -0.469
  867   HD11  ILE 113          HD11      ILE 113  -0.838   6.340   0.600
  868   HD12  ILE 113          HD12      ILE 113  -1.874   6.360   2.049
  869   HD13  ILE 113          HD13      ILE 113  -0.119   6.427   2.239
  870    H    ALA 114           H        ALA 114   3.041   2.782   2.668
  871    HA   ALA 114           HA       ALA 114   4.420   1.453   0.629
  872    HB1  ALA 114           HB1      ALA 114   5.487   2.969   2.277
  873    HB2  ALA 114           HB2      ALA 114   5.212   1.779   3.564
  874    HB3  ALA 114           HB3      ALA 114   6.303   1.401   2.218
  875    H    ASP 115           H        ASP 115   3.380   0.184   3.853
  876    HA   ASP 115           HA       ASP 115   4.392  -2.451   3.398
  877    HB2  ASP 115           HB2      ASP 115   3.904  -1.565   5.625
  878    HB3  ASP 115           HB3      ASP 115   2.177  -1.532   5.243
  879    H    TRP 116           H        TRP 116   1.298  -0.951   2.460
  880    HA   TRP 116           HA       TRP 116   0.106  -3.498   1.730
  881    HB2  TRP 116           HB2      TRP 116  -1.272  -1.505   2.263
  882    HB3  TRP 116           HB3      TRP 116  -0.669  -0.710   0.802
  883    HD1  TRP 116           HD1      TRP 116  -1.891  -1.285  -1.400
  884    HE1  TRP 116           HE1      TRP 116  -3.455  -3.111  -2.261
  885    HE3  TRP 116           HE3      TRP 116  -2.152  -4.145   2.834
  886    HZ2  TRP 116           HZ2      TRP 116  -4.867  -5.389  -1.131
  887    HZ3  TRP 116           HZ3      TRP 116  -3.570  -6.176   2.884
  888    HH2  TRP 116           HH2      TRP 116  -4.936  -6.804   0.914
  889    H    LEU 117           H        LEU 117   1.968  -0.945  -0.002
  890    HA   LEU 117           HA       LEU 117   1.832  -2.243  -2.569
  891    HB2  LEU 117           HB2      LEU 117   3.840  -0.296  -1.371
  892    HB3  LEU 117           HB3      LEU 117   3.907  -0.854  -3.037
  893    HG   LEU 117           HG       LEU 117   1.477   0.581  -1.872
  894   HD11  LEU 117          HD11      LEU 117   3.438   2.055  -1.774
  895   HD12  LEU 117          HD12      LEU 117   3.783   1.738  -3.490
  896   HD13  LEU 117          HD13      LEU 117   2.297   2.594  -3.012
  897   HD21  LEU 117          HD21      LEU 117   0.913   0.992  -4.244
  898   HD22  LEU 117          HD22      LEU 117   2.301   0.004  -4.749
  899   HD23  LEU 117          HD23      LEU 117   0.939  -0.730  -3.875
  900    H    TYR 118           H        TYR 118   4.017  -2.652   0.265
  901    HA   TYR 118           HA       TYR 118   5.634  -4.617  -1.088
  902    HB2  TYR 118           HB2      TYR 118   5.156  -4.340   1.886
  903    HB3  TYR 118           HB3      TYR 118   6.473  -5.208   1.109
  904    HD1  TYR 118           HD1      TYR 118   7.127  -2.974  -1.026
  905    HD2  TYR 118           HD2      TYR 118   6.479  -2.913   3.244
  906    HE1  TYR 118           HE1      TYR 118   8.416  -0.883  -0.861
  907    HE2  TYR 118           HE2      TYR 118   7.682  -0.774   3.402
  908    HH   TYR 118           HH       TYR 118   8.942   0.838   2.251
  909    H    TRP 119           H        TRP 119   2.459  -4.856   0.588
  910    HA   TRP 119           HA       TRP 119   2.458  -7.778   0.647
  911    HB2  TRP 119           HB2      TRP 119   0.995  -6.699   2.141
  912    HB3  TRP 119           HB3      TRP 119   0.353  -5.637   0.912
  913    HD1  TRP 119           HD1      TRP 119  -1.463  -6.531  -0.742
  914    HE1  TRP 119           HE1      TRP 119  -3.192  -8.374  -0.558
  915    HE3  TRP 119           HE3      TRP 119   0.661  -9.253   3.047
  916    HZ2  TRP 119           HZ2      TRP 119  -3.834 -10.502   1.310
  917    HZ3  TRP 119           HZ3      TRP 119  -0.582 -11.144   4.059
  918    HH2  TRP 119           HH2      TRP 119  -2.857 -11.742   3.233
  919    H    LEU 120           H        LEU 120   1.293  -5.282  -1.660
  920    HA   LEU 120           HA       LEU 120   0.337  -6.998  -3.674
  921    HB2  LEU 120           HB2      LEU 120   0.137  -4.467  -3.444
  922    HB3  LEU 120           HB3      LEU 120   1.800  -4.354  -3.991
  923    HG   LEU 120           HG       LEU 120   1.099  -5.471  -6.160
  924   HD11  LEU 120          HD11      LEU 120  -1.388  -5.207  -6.684
  925   HD12  LEU 120          HD12      LEU 120  -0.993  -6.525  -5.589
  926   HD13  LEU 120          HD13      LEU 120  -1.672  -5.005  -4.941
  927   HD21  LEU 120          HD21      LEU 120   0.068  -3.347  -7.002
  928   HD22  LEU 120          HD22      LEU 120  -0.143  -2.814  -5.317
  929   HD23  LEU 120          HD23      LEU 120   1.483  -3.070  -5.977
  930    H    ALA 121           H        ALA 121   3.675  -5.681  -3.204
  931    HA   ALA 121           HA       ALA 121   4.820  -7.139  -5.359
  932    HB1  ALA 121           HB1      ALA 121   6.098  -5.982  -2.848
  933    HB2  ALA 121           HB2      ALA 121   6.972  -6.506  -4.304
  934    HB3  ALA 121           HB3      ALA 121   5.848  -5.135  -4.390
  935    H    ARG 122           H        ARG 122   4.277  -8.058  -1.950
  936    HA   ARG 122           HA       ARG 122   5.792 -10.537  -2.095
  937    HB2  ARG 122           HB2      ARG 122   3.772  -9.404  -0.136
  938    HB3  ARG 122           HB3      ARG 122   4.360 -11.057   0.022
  939    HG2  ARG 122           HG2      ARG 122   6.628 -10.367   0.309
  940    HG3  ARG 122           HG3      ARG 122   6.241  -8.704  -0.101
  941    HD2  ARG 122           HD2      ARG 122   5.209 -10.103   2.393
  942    HD3  ARG 122           HD3      ARG 122   6.662  -9.092   2.320
  943    HE   ARG 122           HE       ARG 122   4.427  -7.700   1.229
  944   HH11  ARG 122          HH11      ARG 122   6.167  -8.321   4.311
  945   HH12  ARG 122          HH12      ARG 122   5.318  -7.055   5.137
  946   HH21  ARG 122          HH21      ARG 122   3.309  -5.996   2.493
  947   HH22  ARG 122          HH22      ARG 122   3.872  -5.655   4.069
  948    H    GLY 123           H        GLY 123   2.983  -9.632  -3.705
  949    HA2  GLY 123           HA2      GLY 123   1.835 -10.910  -5.203
  950    HA3  GLY 123           HA3      GLY 123   2.721 -12.343  -4.654
  951    H    TYR 124           H        TYR 124   0.884 -10.307  -2.422
  952    HA   TYR 124           HA       TYR 124  -0.737 -10.670  -0.955
  953    HB2  TYR 124           HB2      TYR 124  -1.796 -11.717  -3.530
  954    HB3  TYR 124           HB3      TYR 124  -2.750 -12.039  -2.095
  955    HD1  TYR 124           HD1      TYR 124  -0.784  -9.033  -3.305
  956    HD2  TYR 124           HD2      TYR 124  -4.584 -10.621  -2.022
  957    HE1  TYR 124           HE1      TYR 124  -1.805  -6.814  -3.559
  958    HE2  TYR 124           HE2      TYR 124  -5.626  -8.403  -2.354
  959    HH   TYR 124           HH       TYR 124  -5.278  -6.150  -3.092
  960    H    LYS 125           H        LYS 125  -2.096 -12.255   0.284
  961    HA   LYS 125           HA       LYS 125  -1.000 -15.031   0.224
  962    HB2  LYS 125           HB2      LYS 125  -1.272 -13.378   2.762
  963    HB3  LYS 125           HB3      LYS 125  -0.763 -15.047   2.693
  964    HG2  LYS 125           HG2      LYS 125   0.784 -12.822   1.322
  965    HG3  LYS 125           HG3      LYS 125   1.055 -13.271   2.994
  966    HD2  LYS 125           HD2      LYS 125   1.912 -15.372   2.511
  967    HD3  LYS 125           HD3      LYS 125   1.160 -15.481   0.925
  968    HE2  LYS 125           HE2      LYS 125   3.153 -13.269   1.336
  969    HE3  LYS 125           HE3      LYS 125   3.797 -14.914   1.311
  970    HZ1  LYS 125           HZ1      LYS 125   2.010 -13.959  -0.830
  971    HZ2  LYS 125           HZ2      LYS 125   3.618 -13.717  -0.922
  972    HZ3  LYS 125           HZ3      LYS 125   3.020 -15.244  -0.856
  973    H    PHE 126           H        PHE 126  -3.764 -13.037   0.509
  974    HA   PHE 126           HA       PHE 126  -5.539 -14.472   2.083
  975    HB2  PHE 126           HB2      PHE 126  -6.125 -13.259  -0.629
  976    HB3  PHE 126           HB3      PHE 126  -7.330 -13.758   0.552
  977    HD1  PHE 126           HD2      PHE 126  -6.142 -12.629   3.109
  978    HD2  PHE 126           HD1      PHE 126  -6.622 -10.957  -0.842
  979    HE1  PHE 126           HE2      PHE 126  -6.219 -10.354   4.066
  980    HE2  PHE 126           HE1      PHE 126  -6.687  -8.680   0.132
  981    HZ   PHE 126           HZ       PHE 126  -6.474  -8.370   2.595
  Start of MODEL    8
    1    H1   MET   1           H1       MET   1  11.968 -14.794  -5.772
    2    H2   MET   1           H2       MET   1  13.374 -14.374  -5.061
    3    H3   MET   1           H3       MET   1  12.646 -15.794  -4.666
    4    HA   MET   1           HA       MET   1  10.770 -14.618  -3.724
    5    HB2  MET   1           HB2      MET   1  13.535 -13.992  -2.617
    6    HB3  MET   1           HB3      MET   1  12.081 -13.377  -1.834
    7    HG2  MET   1           HG2      MET   1  12.646 -16.318  -2.343
    8    HG3  MET   1           HG3      MET   1  12.847 -15.464  -0.816
    9    HE1  MET   1           HE1      MET   1  11.408 -17.271   0.438
   10    HE2  MET   1           HE2      MET   1   9.785 -17.780  -0.076
   11    HE3  MET   1           HE3      MET   1  11.194 -18.153  -1.093
   12    H    ALA   2           H        ALA   2   9.686 -12.659  -3.241
   13    HA   ALA   2           HA       ALA   2   9.987 -10.514  -5.091
   14    HB1  ALA   2           HB1      ALA   2   8.585 -10.540  -2.378
   15    HB2  ALA   2           HB2      ALA   2   8.344  -9.363  -3.684
   16    HB3  ALA   2           HB3      ALA   2   7.866 -11.051  -3.928
   17    H    SER   3           H        SER   3  11.067 -10.907  -1.696
   18    HA   SER   3           HA       SER   3  12.399  -9.726  -0.348
   19    HB2  SER   3           HB2      SER   3  13.991  -9.197  -2.882
   20    HB3  SER   3           HB3      SER   3  14.601  -9.201  -1.217
   21    HG   SER   3           HG       SER   3  15.008 -11.179  -2.289
   22    H    VAL   4           H        VAL   4  10.147  -8.275  -1.267
   23    HA   VAL   4           HA       VAL   4  11.038  -5.479  -1.670
   24    HB   VAL   4           HB       VAL   4   9.255  -6.406  -3.086
   25   HG11  VAL   4          HG11      VAL   4   8.200  -8.011  -1.521
   26   HG12  VAL   4          HG12      VAL   4   7.567  -6.663  -0.561
   27   HG13  VAL   4          HG13      VAL   4   7.024  -6.915  -2.225
   28   HG21  VAL   4          HG21      VAL   4   7.680  -4.564  -2.891
   29   HG22  VAL   4          HG22      VAL   4   8.218  -4.237  -1.233
   30   HG23  VAL   4          HG23      VAL   4   9.326  -3.993  -2.596
   31    H    GLU   5           H        GLU   5   9.937  -7.729   0.738
   32    HA   GLU   5           HA       GLU   5   8.885  -6.109   2.754
   33    HB2  GLU   5           HB2      GLU   5  10.677  -8.563   3.122
   34    HB3  GLU   5           HB3      GLU   5   9.496  -7.913   4.251
   35    HG2  GLU   5           HG2      GLU   5   8.237  -9.592   3.414
   36    HG3  GLU   5           HG3      GLU   5   7.793  -8.373   2.229
   37    H    ARG   6           H        ARG   6   9.796  -4.504   4.011
   38    HA   ARG   6           HA       ARG   6  12.427  -3.609   3.554
   39    HB2  ARG   6           HB2      ARG   6  12.050  -1.953   5.196
   40    HB3  ARG   6           HB3      ARG   6  10.480  -2.265   4.462
   41    HG2  ARG   6           HG2      ARG   6  10.105  -3.891   6.474
   42    HG3  ARG   6           HG3      ARG   6  11.496  -3.091   7.214
   43    HD2  ARG   6           HD2      ARG   6   8.901  -1.791   6.315
   44    HD3  ARG   6           HD3      ARG   6   9.333  -2.206   7.968
   45    HE   ARG   6           HE       ARG   6  11.193  -0.564   7.821
   46   HH11  ARG   6          HH21      ARG   6   8.679   0.033   5.369
   47   HH12  ARG   6          HH22      ARG   6   8.085   1.465   6.174
   48   HH21  ARG   6          HH11      ARG   6  10.702   1.657   8.500
   49   HH22  ARG   6          HH12      ARG   6   9.409   2.509   7.686
   50    H    ASP   7           H        ASP   7  11.168  -5.808   6.026
   51    HA   ASP   7           HA       ASP   7  13.657  -7.088   6.538
   52    HB2  ASP   7           HB2      ASP   7  14.021  -5.046   7.955
   53    HB3  ASP   7           HB3      ASP   7  12.466  -5.325   8.741
   54    H    GLU   8           H        GLU   8  13.159  -8.986   7.955
   55    HA   GLU   8           HA       GLU   8  10.604 -10.122   7.554
   56    HB2  GLU   8           HB2      GLU   8  12.805 -10.819   9.541
   57    HB3  GLU   8           HB3      GLU   8  11.387 -11.826   9.217
   58    HG2  GLU   8           HG2      GLU   8  12.043 -11.975   6.818
   59    HG3  GLU   8           HG3      GLU   8  13.499 -11.040   7.163
   60    H    THR   9           H        THR   9  11.633  -7.859  10.031
   61    HA   THR   9           HA       THR   9   9.772  -8.274  12.070
   62    HB   THR   9           HB       THR   9  10.752  -5.714  10.778
   63    HG1  THR   9           HG1      THR   9  12.424  -6.857  11.516
   64   HG21  THR   9          HG21      THR   9  10.339  -4.650  13.005
   65   HG22  THR   9          HG22      THR   9   8.858  -5.100  12.159
   66   HG23  THR   9          HG23      THR   9   9.446  -6.110  13.502
   67    H    ARG  10           H        ARG  10   9.113  -6.970   8.736
   68    HA   ARG  10           HA       ARG  10   6.411  -6.214   9.581
   69    HB2  ARG  10           HB2      ARG  10   7.737  -6.365   6.845
   70    HB3  ARG  10           HB3      ARG  10   6.026  -5.986   7.052
   71    HG2  ARG  10           HG2      ARG  10   8.295  -4.393   8.313
   72    HG3  ARG  10           HG3      ARG  10   7.456  -3.961   6.817
   73    HD2  ARG  10           HD2      ARG  10   5.319  -3.729   8.046
   74    HD3  ARG  10           HD3      ARG  10   6.099  -4.219   9.538
   75    HE   ARG  10           HE       ARG  10   7.074  -2.202   9.817
   76   HH11  ARG  10          HH11      ARG  10   5.491  -2.205   6.605
   77   HH12  ARG  10          HH12      ARG  10   5.685  -0.481   6.417
   78   HH21  ARG  10          HH21      ARG  10   7.207   0.076   9.525
   79   HH22  ARG  10          HH22      ARG  10   6.682   0.785   8.019
   80    H    GLU  11           H        GLU  11   7.822  -9.111   7.992
   81    HA   GLU  11           HA       GLU  11   5.261 -10.353   7.561
   82    HB2  GLU  11           HB2      GLU  11   8.055 -11.500   7.980
   83    HB3  GLU  11           HB3      GLU  11   6.643 -12.498   7.653
   84    HG2  GLU  11           HG2      GLU  11   7.700 -10.299   5.829
   85    HG3  GLU  11           HG3      GLU  11   7.980 -12.026   5.620
   86    H    HIS  12           H        HIS  12   7.534 -10.305  10.343
   87    HA   HIS  12           HA       HIS  12   6.046 -12.006  12.047
   88    HB2  HIS  12           HB2      HIS  12   8.350 -11.251  12.483
   89    HB3  HIS  12           HB3      HIS  12   7.786  -9.611  12.759
   90    HD1  HIS  12           HD1      HIS  12   5.231 -10.698  14.777
   91    HD2  HIS  12           HD2      HIS  12   9.406 -11.358  14.915
   92    HE1  HIS  12           HE1      HIS  12   5.807 -11.155  17.188
   93    H    ARG  13           H        ARG  13   5.887  -8.360  11.804
   94    HA   ARG  13           HA       ARG  13   3.736  -8.281  13.706
   95    HB2  ARG  13           HB2      ARG  13   4.720  -6.215  11.695
   96    HB3  ARG  13           HB3      ARG  13   3.453  -5.889  12.877
   97    HG2  ARG  13           HG2      ARG  13   6.283  -6.755  13.608
   98    HG3  ARG  13           HG3      ARG  13   5.714  -5.086  13.564
   99    HD2  ARG  13           HD2      ARG  13   4.063  -5.568  15.337
  100    HD3  ARG  13           HD3      ARG  13   4.589  -7.263  15.385
  101    HE   ARG  13           HE       ARG  13   6.873  -5.663  15.723
  102   HH11  ARG  13          HH21      ARG  13   3.865  -6.326  17.577
  103   HH12  ARG  13          HH22      ARG  13   4.666  -6.187  19.099
  104   HH21  ARG  13          HH11      ARG  13   7.859  -5.433  17.770
  105   HH22  ARG  13          HH12      ARG  13   6.947  -5.634  19.215
  106    H    ILE  14           H        ILE  14   3.668  -8.622  10.148
  107    HA   ILE  14           HA       ILE  14   0.851  -8.236   9.869
  108    HB   ILE  14           HB       ILE  14   2.925  -9.892   8.405
  109   HG12  ILE  14          HG12      ILE  14   1.225  -7.568   7.418
  110   HG13  ILE  14          HG13      ILE  14   2.730  -7.300   8.269
  111   HG21  ILE  14          HG21      ILE  14  -0.025  -9.707   7.665
  112   HG22  ILE  14          HG22      ILE  14   1.261 -10.387   6.642
  113   HG23  ILE  14          HG23      ILE  14   0.856 -11.175   8.159
  114   HD11  ILE  14          HD11      ILE  14   3.168  -7.163   5.915
  115   HD12  ILE  14          HD12      ILE  14   3.943  -8.631   6.528
  116   HD13  ILE  14          HD13      ILE  14   2.426  -8.742   5.606
  117    H    GLU  15           H        GLU  15   2.771 -11.207  10.624
  118    HA   GLU  15           HA       GLU  15   0.519 -12.858  11.007
  119    HB2  GLU  15           HB2      GLU  15   2.811 -13.663  10.578
  120    HB3  GLU  15           HB3      GLU  15   3.340 -13.057  12.142
  121    HG2  GLU  15           HG2      GLU  15   3.000 -15.446  12.261
  122    HG3  GLU  15           HG3      GLU  15   1.869 -14.606  13.314
  123    H    THR  16           H        THR  16   2.409 -11.003  13.527
  124    HA   THR  16           HA       THR  16   0.607 -12.128  15.537
  125    HB   THR  16           HB       THR  16   2.209 -11.077  17.124
  126    HG1  THR  16           HG1      THR  16   3.080  -9.387  16.067
  127   HG21  THR  16          HG21      THR  16   2.510 -13.392  16.190
  128   HG22  THR  16          HG22      THR  16   3.584 -12.714  14.947
  129   HG23  THR  16          HG23      THR  16   4.018 -12.607  16.667
  130    H    GLU  17           H        GLU  17   0.569  -9.209  13.735
  131    HA   GLU  17           HA       GLU  17  -1.036  -7.857  15.853
  132    HB2  GLU  17           HB2      GLU  17   1.446  -7.101  14.815
  133    HB3  GLU  17           HB3      GLU  17   0.322  -6.153  13.854
  134    HG2  GLU  17           HG2      GLU  17   0.870  -4.794  15.683
  135    HG3  GLU  17           HG3      GLU  17  -0.737  -5.406  16.073
  136    H    ILE  18           H        ILE  18  -1.110  -8.945  12.514
  137    HA   ILE  18           HA       ILE  18  -3.485  -7.189  12.041
  138    HB   ILE  18           HB       ILE  18  -1.588  -8.247   9.927
  139   HG12  ILE  18          HG12      ILE  18  -1.626  -5.545  11.338
  140   HG13  ILE  18          HG13      ILE  18  -0.313  -6.713  11.326
  141   HG21  ILE  18          HG21      ILE  18  -3.943  -7.682   9.207
  142   HG22  ILE  18          HG22      ILE  18  -3.678  -6.037   9.792
  143   HG23  ILE  18          HG23      ILE  18  -2.718  -6.688   8.443
  144   HD11  ILE  18          HD11      ILE  18   0.324  -4.974   9.853
  145   HD12  ILE  18          HD12      ILE  18  -0.104  -6.360   8.830
  146   HD13  ILE  18          HD13      ILE  18  -1.229  -4.995   9.004
  147    H    ILE  19           H        ILE  19  -2.130 -10.495  11.287
  148    HA   ILE  19           HA       ILE  19  -4.942 -11.357  10.795
  149    HB   ILE  19           HB       ILE  19  -4.030 -12.740   9.029
  150   HG12  ILE  19          HG12      ILE  19  -1.427 -11.205   9.154
  151   HG13  ILE  19          HG13      ILE  19  -1.614 -12.643  10.172
  152   HG21  ILE  19          HG21      ILE  19  -4.929 -10.470   8.523
  153   HG22  ILE  19          HG22      ILE  19  -3.291  -9.799   8.679
  154   HG23  ILE  19          HG23      ILE  19  -3.640 -10.942   7.400
  155   HD11  ILE  19          HD11      ILE  19  -0.581 -13.219   8.069
  156   HD12  ILE  19          HD12      ILE  19  -2.187 -13.974   8.230
  157   HD13  ILE  19          HD13      ILE  19  -1.974 -12.553   7.171
  158    H    VAL  20           H        VAL  20  -3.194 -11.707  13.323
  159    HA   VAL  20           HA       VAL  20  -2.144 -14.160  13.579
  160    HB   VAL  20           HB       VAL  20  -2.119 -12.273  15.210
  161   HG11  VAL  20          HG11      VAL  20  -4.718 -13.445  16.280
  162   HG12  VAL  20          HG12      VAL  20  -3.768 -12.124  16.989
  163   HG13  VAL  20          HG13      VAL  20  -4.565 -11.892  15.427
  164   HG21  VAL  20          HG21      VAL  20  -1.787 -13.643  17.197
  165   HG22  VAL  20          HG22      VAL  20  -2.694 -14.984  16.462
  166   HG23  VAL  20          HG23      VAL  20  -1.140 -14.468  15.768
  167    H    ASP  21           H        ASP  21  -5.659 -13.632  13.840
  168    HA   ASP  21           HA       ASP  21  -6.019 -16.559  14.271
  169    HB2  ASP  21           HB2      ASP  21  -6.818 -15.052  16.058
  170    HB3  ASP  21           HB3      ASP  21  -7.871 -14.239  14.899
  171    H    ALA  22           H        ALA  22  -5.794 -14.567  11.790
  172    HA   ALA  22           HA       ALA  22  -8.375 -15.123  10.456
  173    HB1  ALA  22           HB1      ALA  22  -7.925 -13.205   9.111
  174    HB2  ALA  22           HB2      ALA  22  -7.983 -12.754  10.830
  175    HB3  ALA  22           HB3      ALA  22  -6.416 -12.872   9.973
  176    H    GLU  23           H        GLU  23  -8.325 -16.424   8.952
  177    HA   GLU  23           HA       GLU  23  -6.273 -16.525   6.876
  178    HB2  GLU  23           HB2      GLU  23  -5.464 -18.589   7.087
  179    HB3  GLU  23           HB3      GLU  23  -5.527 -18.021   8.758
  180    HG2  GLU  23           HG2      GLU  23  -7.527 -19.918   7.498
  181    HG3  GLU  23           HG3      GLU  23  -6.088 -20.435   8.363
  182    H    ASP  24           H        ASP  24  -9.449 -17.117   7.948
  183    HA   ASP  24           HA       ASP  24 -10.370 -18.448   5.498
  184    HB2  ASP  24           HB2      ASP  24 -11.907 -16.951   7.659
  185    HB3  ASP  24           HB3      ASP  24 -12.597 -17.875   6.339
  186    H    LYS  25           H        LYS  25 -11.068 -17.189   3.706
  187    HA   LYS  25           HA       LYS  25  -9.548 -14.947   3.236
  188    HB2  LYS  25           HB2      LYS  25 -10.566 -14.643   1.175
  189    HB3  LYS  25           HB3      LYS  25 -10.568 -16.366   1.467
  190    HG2  LYS  25           HG2      LYS  25 -12.971 -14.500   1.786
  191    HG3  LYS  25           HG3      LYS  25 -12.618 -15.437   0.354
  192    HD2  LYS  25           HD2      LYS  25 -13.250 -16.664   3.072
  193    HD3  LYS  25           HD3      LYS  25 -14.401 -16.409   1.761
  194    HE2  LYS  25           HE2      LYS  25 -13.019 -17.833   0.253
  195    HE3  LYS  25           HE3      LYS  25 -11.908 -18.165   1.582
  196    HZ1  LYS  25           HZ1      LYS  25 -14.780 -18.905   1.520
  197    HZ2  LYS  25           HZ2      LYS  25 -13.532 -19.927   1.323
  198    HZ3  LYS  25           HZ3      LYS  25 -13.769 -19.215   2.768
  199    H    GLU  26           H        GLU  26 -12.857 -14.870   4.509
  200    HA   GLU  26           HA       GLU  26 -13.227 -12.046   4.132
  201    HB2  GLU  26           HB2      GLU  26 -14.530 -14.017   6.070
  202    HB3  GLU  26           HB3      GLU  26 -15.071 -12.356   5.799
  203    HG2  GLU  26           HG2      GLU  26 -15.463 -12.887   3.390
  204    HG3  GLU  26           HG3      GLU  26 -14.987 -14.558   3.689
  205    H    GLU  27           H        GLU  27 -11.876 -14.075   6.804
  206    HA   GLU  27           HA       GLU  27 -11.766 -11.947   8.732
  207    HB2  GLU  27           HB2      GLU  27  -9.984 -14.388   8.488
  208    HB3  GLU  27           HB3      GLU  27 -10.252 -13.409   9.933
  209    HG2  GLU  27           HG2      GLU  27 -12.532 -14.192  10.118
  210    HG3  GLU  27           HG3      GLU  27 -12.396 -15.086   8.595
  211    H    ARG  28           H        ARG  28  -9.409 -13.416   6.408
  212    HA   ARG  28           HA       ARG  28  -7.261 -11.830   7.427
  213    HB2  ARG  28           HB2      ARG  28  -7.095 -14.018   6.153
  214    HB3  ARG  28           HB3      ARG  28  -7.359 -13.107   4.657
  215    HG2  ARG  28           HG2      ARG  28  -5.324 -11.832   5.002
  216    HG3  ARG  28           HG3      ARG  28  -5.184 -12.381   6.666
  217    HD2  ARG  28           HD2      ARG  28  -5.045 -14.387   4.402
  218    HD3  ARG  28           HD3      ARG  28  -3.626 -13.443   4.897
  219    HE   ARG  28           HE       ARG  28  -4.805 -14.559   7.226
  220   HH11  ARG  28          HH11      ARG  28  -2.993 -15.723   4.362
  221   HH12  ARG  28          HH12      ARG  28  -2.230 -16.994   5.249
  222   HH21  ARG  28          HH21      ARG  28  -3.866 -16.196   8.317
  223   HH22  ARG  28          HH22      ARG  28  -2.724 -17.281   7.575
  224    H    ALA  29           H        ALA  29  -9.533 -11.261   4.711
  225    HA   ALA  29           HA       ALA  29  -8.407  -8.809   3.847
  226    HB1  ALA  29           HB1      ALA  29 -10.608  -8.458   2.841
  227    HB2  ALA  29           HB2      ALA  29 -10.125 -10.143   2.634
  228    HB3  ALA  29           HB3      ALA  29 -11.319  -9.722   3.878
  229    H    MET  30           H        MET  30 -10.910  -9.484   6.404
  230    HA   MET  30           HA       MET  30 -11.217  -6.734   7.098
  231    HB2  MET  30           HB2      MET  30 -11.828  -9.273   8.623
  232    HB3  MET  30           HB3      MET  30 -12.198  -7.659   9.231
  233    HG2  MET  30           HG2      MET  30 -13.262  -8.815   6.629
  234    HG3  MET  30           HG3      MET  30 -14.123  -8.739   8.154
  235    HE1  MET  30           HE1      MET  30 -12.276  -5.921   5.591
  236    HE2  MET  30           HE2      MET  30 -13.274  -7.203   4.892
  237    HE3  MET  30           HE3      MET  30 -13.871  -5.530   4.955
  238    H    GLY  31           H        GLY  31  -8.938  -9.186   8.426
  239    HA2  GLY  31           HA2      GLY  31  -7.982  -7.668  10.587
  240    HA3  GLY  31           HA3      GLY  31  -7.046  -8.866   9.666
  241    H    TRP  32           H        TRP  32  -6.804  -7.786   7.173
  242    HA   TRP  32           HA       TRP  32  -4.877  -5.706   7.440
  243    HB2  TRP  32           HB2      TRP  32  -6.388  -6.910   5.110
  244    HB3  TRP  32           HB3      TRP  32  -5.423  -5.456   4.889
  245    HD1  TRP  32           HD1      TRP  32  -5.029  -9.167   5.335
  246    HE1  TRP  32           HE1      TRP  32  -2.574  -9.803   5.012
  247    HE3  TRP  32           HE3      TRP  32  -2.991  -4.508   5.337
  248    HZ2  TRP  32           HZ2      TRP  32   0.010  -8.464   5.220
  249    HZ3  TRP  32           HZ3      TRP  32  -0.523  -4.196   5.276
  250    HH2  TRP  32           HH2      TRP  32   0.978  -6.167   5.216
  251    H    TYR  33           H        TYR  33  -8.355  -5.543   6.441
  252    HA   TYR  33           HA       TYR  33  -8.371  -2.818   5.785
  253    HB2  TYR  33           HB2      TYR  33 -10.174  -4.243   5.142
  254    HB3  TYR  33           HB3      TYR  33 -10.467  -4.739   6.794
  255    HD1  TYR  33           HD2      TYR  33 -10.259  -1.334   5.143
  256    HD2  TYR  33           HD1      TYR  33 -12.550  -4.112   7.510
  257    HE1  TYR  33           HE2      TYR  33 -12.036   0.363   5.413
  258    HE2  TYR  33           HE1      TYR  33 -14.297  -2.408   7.840
  259    HH   TYR  33           HH       TYR  33 -15.001  -0.233   7.357
  260    H    TYR  34           H        TYR  34  -9.112  -4.346   8.997
  261    HA   TYR  34           HA       TYR  34  -9.859  -1.889  10.233
  262    HB2  TYR  34           HB2      TYR  34  -8.745  -4.435  11.468
  263    HB3  TYR  34           HB3      TYR  34  -9.570  -3.151  12.333
  264    HD1  TYR  34           HD1      TYR  34 -11.730  -3.105   9.702
  265    HD2  TYR  34           HD2      TYR  34 -10.310  -5.920  12.664
  266    HE1  TYR  34           HE1      TYR  34 -13.874  -4.314   9.592
  267    HE2  TYR  34           HE2      TYR  34 -12.451  -7.144  12.532
  268    HH   TYR  34           HH       TYR  34 -14.570  -7.235  11.563
  269    H    TYR  35           H        TYR  35  -6.711  -3.672  10.121
  270    HA   TYR  35           HA       TYR  35  -5.400  -1.835  11.910
  271    HB2  TYR  35           HB2      TYR  35  -4.755  -4.233  11.421
  272    HB3  TYR  35           HB3      TYR  35  -4.234  -3.730   9.818
  273    HD1  TYR  35           HD1      TYR  35  -2.168  -2.389   9.522
  274    HD2  TYR  35           HD2      TYR  35  -3.468  -3.692  13.426
  275    HE1  TYR  35           HE1      TYR  35   0.075  -1.887  10.431
  276    HE2  TYR  35           HE2      TYR  35  -1.229  -3.201  14.344
  277    HH   TYR  35           HH       TYR  35   0.922  -2.412  13.888
  278    H    LEU  36           H        LEU  36  -5.671  -2.008   8.306
  279    HA   LEU  36           HA       LEU  36  -3.814   0.117   7.835
  280    HB2  LEU  36           HB2      LEU  36  -5.862  -1.357   6.210
  281    HB3  LEU  36           HB3      LEU  36  -5.466   0.265   5.687
  282    HG   LEU  36           HG       LEU  36  -3.199  -0.174   5.350
  283   HD11  LEU  36          HD11      LEU  36  -3.530  -2.842   6.759
  284   HD12  LEU  36          HD12      LEU  36  -2.108  -2.380   5.782
  285   HD13  LEU  36          HD13      LEU  36  -2.494  -1.485   7.239
  286   HD21  LEU  36          HD21      LEU  36  -3.273  -1.939   3.655
  287   HD22  LEU  36          HD22      LEU  36  -4.705  -2.665   4.422
  288   HD23  LEU  36          HD23      LEU  36  -4.818  -1.073   3.655
  289    H    ASP  37           H        ASP  37  -7.469   0.114   8.172
  290    HA   ASP  37           HA       ASP  37  -7.672   2.949   7.935
  291    HB2  ASP  37           HB2      ASP  37  -9.763   1.688   8.231
  292    HB3  ASP  37           HB3      ASP  37  -9.243   1.101   9.803
  293    H    ASP  38           H        ASP  38  -6.940   0.869  10.859
  294    HA   ASP  38           HA       ASP  38  -7.120   3.217  12.227
  295    HB2  ASP  38           HB2      ASP  38  -7.355   1.049  13.358
  296    HB3  ASP  38           HB3      ASP  38  -5.587   1.022  13.524
  297    H    THR  39           H        THR  39  -4.479   2.082  10.433
  298    HA   THR  39           HA       THR  39  -2.410   3.641  11.856
  299    HB   THR  39           HB       THR  39  -2.381   2.123   9.207
  300    HG1  THR  39           HG1      THR  39  -2.794   0.696  10.829
  301   HG21  THR  39          HG21      THR  39  -0.127   3.116  11.014
  302   HG22  THR  39          HG22      THR  39   0.075   2.114   9.550
  303   HG23  THR  39          HG23      THR  39  -0.590   3.753   9.424
  304    H    LEU  40           H        LEU  40  -4.288   3.790   8.788
  305    HA   LEU  40           HA       LEU  40  -3.264   6.259   7.827
  306    HB2  LEU  40           HB2      LEU  40  -6.011   5.010   7.477
  307    HB3  LEU  40           HB3      LEU  40  -5.355   6.307   6.485
  308    HG   LEU  40           HG       LEU  40  -4.004   3.592   6.631
  309   HD11  LEU  40          HD11      LEU  40  -5.249   2.947   4.603
  310   HD12  LEU  40          HD12      LEU  40  -6.371   3.269   5.926
  311   HD13  LEU  40          HD13      LEU  40  -6.152   4.479   4.642
  312   HD21  LEU  40          HD21      LEU  40  -3.926   5.751   4.507
  313   HD22  LEU  40          HD22      LEU  40  -2.614   5.270   5.624
  314   HD23  LEU  40          HD23      LEU  40  -3.180   4.146   4.395
  315    H    GLU  41           H        GLU  41  -3.945   8.348   8.142
  316    HA   GLU  41           HA       GLU  41  -6.256   8.917   9.940
  317    HB2  GLU  41           HB2      GLU  41  -3.528  10.257   9.806
  318    HB3  GLU  41           HB3      GLU  41  -4.919  10.952  10.647
  319    HG2  GLU  41           HG2      GLU  41  -3.749   8.214  11.284
  320    HG3  GLU  41           HG3      GLU  41  -3.302   9.697  12.110
  321    H    PHE  42           H        PHE  42  -6.870   8.495   7.480
  322    HA   PHE  42           HA       PHE  42  -6.680  10.626   5.614
  323    HB2  PHE  42           HB2      PHE  42  -8.647   9.445   4.560
  324    HB3  PHE  42           HB3      PHE  42  -7.259   8.446   4.873
  325    HD1  PHE  42           HD1      PHE  42 -10.566   9.391   6.427
  326    HD2  PHE  42           HD2      PHE  42  -7.587   6.334   5.779
  327    HE1  PHE  42           HE1      PHE  42 -12.069   7.705   7.441
  328    HE2  PHE  42           HE2      PHE  42  -9.093   4.656   6.808
  329    HZ   PHE  42           HZ       PHE  42 -11.347   5.335   7.618
  330    HA   PRO  43           HA       PRO  43  -8.734  11.402   3.935
  331    HB2  PRO  43           HB2      PRO  43  -9.078  13.999   3.179
  332    HB3  PRO  43           HB3      PRO  43 -10.426  12.912   3.622
  333    HG2  PRO  43           HG2      PRO  43  -9.030  14.938   5.392
  334    HG3  PRO  43           HG3      PRO  43 -10.792  14.710   5.142
  335    HD2  PRO  43           HD2      PRO  43  -9.507  13.608   7.268
  336    HD3  PRO  43           HD3      PRO  43 -10.808  12.719   6.424
  337    H    PHE  44           H        PHE  44  -7.102  11.957   2.389
  338    HA   PHE  44           HA       PHE  44  -4.969  13.809   3.113
  339    HB2  PHE  44           HB2      PHE  44  -3.159  12.246   2.953
  340    HB3  PHE  44           HB3      PHE  44  -4.219  11.767   4.264
  341    HD1  PHE  44           HD1      PHE  44  -5.571   9.673   4.082
  342    HD2  PHE  44           HD2      PHE  44  -2.730  10.790   1.080
  343    HE1  PHE  44           HE1      PHE  44  -5.647   7.365   3.160
  344    HE2  PHE  44           HE2      PHE  44  -2.844   8.520   0.104
  345    HZ   PHE  44           HZ       PHE  44  -4.309   6.795   1.146
  346    H    MET  45           H        MET  45  -3.441  14.089   1.213
  347    HA   MET  45           HA       MET  45  -4.929  13.805  -1.335
  348    HB2  MET  45           HB2      MET  45  -3.848  15.971  -0.680
  349    HB3  MET  45           HB3      MET  45  -2.278  15.154  -0.635
  350    HG2  MET  45           HG2      MET  45  -2.589  14.575  -3.067
  351    HG3  MET  45           HG3      MET  45  -4.067  15.542  -3.064
  352    HE1  MET  45           HE1      MET  45  -1.686  15.753  -5.033
  353    HE2  MET  45           HE2      MET  45  -3.066  16.866  -5.147
  354    HE3  MET  45           HE3      MET  45  -1.405  17.507  -5.184
  355    H    GLY  46           H        GLY  46  -4.146  12.410  -3.066
  356    HA2  GLY  46           HA2      GLY  46  -1.462  11.277  -2.739
  357    HA3  GLY  46           HA3      GLY  46  -2.786  10.098  -2.734
  358    H    LYS  47           H        LYS  47  -0.852   9.962  -4.601
  359    HA   LYS  47           HA       LYS  47  -2.105  11.007  -7.096
  360    HB2  LYS  47           HB2      LYS  47   0.541  10.987  -6.646
  361    HB3  LYS  47           HB3      LYS  47   0.404   9.277  -6.991
  362    HG2  LYS  47           HG2      LYS  47   0.964  10.266  -9.063
  363    HG3  LYS  47           HG3      LYS  47  -0.756   9.929  -9.188
  364    HD2  LYS  47           HD2      LYS  47  -0.521  12.130 -10.077
  365    HD3  LYS  47           HD3      LYS  47  -1.147  12.381  -8.464
  366    HE2  LYS  47           HE2      LYS  47   0.515  13.972  -8.541
  367    HE3  LYS  47           HE3      LYS  47   1.344  12.642  -7.730
  368    HZ1  LYS  47           HZ1      LYS  47   1.596  13.438 -10.568
  369    HZ2  LYS  47           HZ2      LYS  47   2.754  13.498  -9.427
  370    HZ3  LYS  47           HZ3      LYS  47   2.247  12.048 -10.004
  371    H    TRP  48           H        TRP  48  -3.494   9.662  -8.094
  372    HA   TRP  48           HA       TRP  48  -3.709   6.817  -7.253
  373    HB2  TRP  48           HB2      TRP  48  -5.803   8.088  -7.442
  374    HB3  TRP  48           HB3      TRP  48  -5.418   8.547  -9.079
  375    HD1  TRP  48           HD1      TRP  48  -4.564   5.006  -8.635
  376    HE1  TRP  48           HE1      TRP  48  -6.342   3.439  -9.496
  377    HE3  TRP  48           HE3      TRP  48  -8.316   8.412  -9.302
  378    HZ2  TRP  48           HZ2      TRP  48  -9.137   3.608 -10.317
  379    HZ3  TRP  48           HZ3      TRP  48 -10.543   7.674 -10.101
  380    HH2  TRP  48           HH2      TRP  48 -10.966   5.277 -10.601
  381    H    LYS  49           H        LYS  49  -2.029   5.757  -8.158
  382    HA   LYS  49           HA       LYS  49  -0.905   6.443 -10.796
  383    HB2  LYS  49           HB2      LYS  49  -0.092   4.551  -8.532
  384    HB3  LYS  49           HB3      LYS  49   0.765   4.681 -10.071
  385    HG2  LYS  49           HG2      LYS  49   1.359   7.000  -9.638
  386    HG3  LYS  49           HG3      LYS  49   0.338   7.055  -8.201
  387    HD2  LYS  49           HD2      LYS  49   2.652   6.877  -7.549
  388    HD3  LYS  49           HD3      LYS  49   1.764   5.424  -7.059
  389    HE2  LYS  49           HE2      LYS  49   2.679   4.183  -8.976
  390    HE3  LYS  49           HE3      LYS  49   3.492   5.644  -9.565
  391    HZ1  LYS  49           HZ1      LYS  49   4.853   5.614  -7.555
  392    HZ2  LYS  49           HZ2      LYS  49   4.103   4.263  -7.011
  393    HZ3  LYS  49           HZ3      LYS  49   5.011   4.210  -8.361
  394    H    LYS  50           H        LYS  50  -3.166   5.910 -11.522
  395    HA   LYS  50           HA       LYS  50  -4.329   3.325 -11.115
  396    HB2  LYS  50           HB2      LYS  50  -5.467   5.488 -11.866
  397    HB3  LYS  50           HB3      LYS  50  -4.784   5.214 -13.473
  398    HG2  LYS  50           HG2      LYS  50  -6.005   3.056 -13.620
  399    HG3  LYS  50           HG3      LYS  50  -6.652   3.302 -11.993
  400    HD2  LYS  50           HD2      LYS  50  -7.797   5.371 -12.766
  401    HD3  LYS  50           HD3      LYS  50  -7.142   5.115 -14.400
  402    HE2  LYS  50           HE2      LYS  50  -8.308   2.916 -14.510
  403    HE3  LYS  50           HE3      LYS  50  -8.970   3.184 -12.893
  404    HZ1  LYS  50           HZ1      LYS  50 -10.162   5.111 -13.776
  405    HZ2  LYS  50           HZ2      LYS  50  -9.550   4.855 -15.274
  406    HZ3  LYS  50           HZ3      LYS  50 -10.561   3.768 -14.607
  407    H    LYS  51           H        LYS  51  -3.829   1.302 -12.105
  408    HA   LYS  51           HA       LYS  51  -1.801   0.987 -14.016
  409    HB2  LYS  51           HB2      LYS  51  -2.942  -0.842 -12.716
  410    HB3  LYS  51           HB3      LYS  51  -4.347  -0.680 -13.784
  411    HG2  LYS  51           HG2      LYS  51  -2.871  -1.264 -15.738
  412    HG3  LYS  51           HG3      LYS  51  -1.514  -1.471 -14.616
  413    HD2  LYS  51           HD2      LYS  51  -2.771  -3.282 -13.457
  414    HD3  LYS  51           HD3      LYS  51  -4.131  -3.047 -14.578
  415    HE2  LYS  51           HE2      LYS  51  -2.597  -3.582 -16.493
  416    HE3  LYS  51           HE3      LYS  51  -1.300  -3.903 -15.334
  417    HZ1  LYS  51           HZ1      LYS  51  -2.655  -5.694 -14.411
  418    HZ2  LYS  51           HZ2      LYS  51  -3.836  -5.418 -15.509
  419    HZ3  LYS  51           HZ3      LYS  51  -2.369  -5.937 -15.996
  420    H    SER  52           H        SER  52  -1.663   1.246 -16.252
  421    HA   SER  52           HA       SER  52  -3.376   2.919 -17.658
  422    HB2  SER  52           HB2      SER  52  -1.537   0.711 -18.662
  423    HB3  SER  52           HB3      SER  52  -2.185   2.026 -19.664
  424    HG   SER  52           HG       SER  52  -0.019   2.212 -18.691
  425    H    ARG  53           H        ARG  53  -4.826   2.554 -19.423
  426    HA   ARG  53           HA       ARG  53  -6.914   0.742 -18.947
  427    HB2  ARG  53           HB2      ARG  53  -7.013   2.872 -20.254
  428    HB3  ARG  53           HB3      ARG  53  -6.142   2.087 -21.578
  429    HG2  ARG  53           HG2      ARG  53  -8.005   0.469 -21.857
  430    HG3  ARG  53           HG3      ARG  53  -8.856   1.208 -20.482
  431    HD2  ARG  53           HD2      ARG  53  -8.964   3.357 -21.714
  432    HD3  ARG  53           HD3      ARG  53  -8.107   2.614 -23.082
  433    HE   ARG  53           HE       ARG  53 -10.403   1.054 -22.453
  434   HH11  ARG  53          HH11      ARG  53  -9.598   4.208 -23.873
  435   HH12  ARG  53          HH12      ARG  53 -11.018   4.293 -24.847
  436   HH21  ARG  53          HH21      ARG  53 -12.299   1.165 -23.752
  437   HH22  ARG  53          HH22      ARG  53 -12.586   2.521 -24.773
  438    H    LYS  54           H        LYS  54  -4.030   0.376 -20.975
  439    HA   LYS  54           HA       LYS  54  -4.370  -2.533 -20.965
  440    HB2  LYS  54           HB2      LYS  54  -3.741  -0.913 -23.490
  441    HB3  LYS  54           HB3      LYS  54  -3.532  -2.660 -23.327
  442    HG2  LYS  54           HG2      LYS  54  -5.982  -2.904 -22.895
  443    HG3  LYS  54           HG3      LYS  54  -6.181  -1.159 -23.168
  444    HD2  LYS  54           HD2      LYS  54  -5.288  -1.410 -25.466
  445    HD3  LYS  54           HD3      LYS  54  -5.096  -3.158 -25.199
  446    HE2  LYS  54           HE2      LYS  54  -7.541  -3.355 -24.780
  447    HE3  LYS  54           HE3      LYS  54  -7.730  -1.619 -25.058
  448    HZ1  LYS  54           HZ1      LYS  54  -8.271  -2.896 -27.031
  449    HZ2  LYS  54           HZ2      LYS  54  -6.967  -1.971 -27.338
  450    HZ3  LYS  54           HZ3      LYS  54  -6.794  -3.576 -27.078
  451    H    THR  55           H        THR  55  -2.205  -3.512 -21.238
  452    HA   THR  55           HA       THR  55  -0.072  -3.758 -20.623
  453    HB   THR  55           HB       THR  55   0.427  -0.790 -21.084
  454    HG1  THR  55           HG1      THR  55  -0.526  -1.663 -22.919
  455   HG21  THR  55          HG21      THR  55   2.368  -1.851 -20.098
  456   HG22  THR  55          HG22      THR  55   2.253  -3.226 -21.225
  457   HG23  THR  55          HG23      THR  55   2.678  -1.602 -21.811
  458    H    SER  56           H        SER  56   1.429  -3.325 -18.762
  459    HA   SER  56           HA       SER  56  -0.155  -2.588 -16.395
  460    HB2  SER  56           HB2      SER  56   2.465  -4.106 -16.663
  461    HB3  SER  56           HB3      SER  56   1.496  -3.931 -15.186
  462    HG   SER  56           HG       SER  56   1.110  -5.911 -16.336
  463    H    THR  57           H        THR  57   1.168  -0.524 -18.202
  464    HA   THR  57           HA       THR  57   3.142   0.802 -16.528
  465    HB   THR  57           HB       THR  57   2.470   2.676 -18.246
  466    HG1  THR  57           HG1      THR  57   1.550   1.776 -20.146
  467   HG21  THR  57          HG21      THR  57   4.563   1.367 -18.372
  468   HG22  THR  57          HG22      THR  57   3.708   0.055 -19.210
  469   HG23  THR  57          HG23      THR  57   3.886   1.646 -19.983
  470    H    ILE  58           H        ILE  58   2.386   3.285 -16.089
  471    HA   ILE  58           HA       ILE  58  -0.098   3.135 -14.432
  472    HB   ILE  58           HB       ILE  58   2.714   4.007 -13.844
  473   HG12  ILE  58          HG12      ILE  58   2.273   3.200 -11.640
  474   HG13  ILE  58          HG13      ILE  58   0.532   3.135 -11.928
  475   HG21  ILE  58          HG21      ILE  58   0.349   5.493 -12.640
  476   HG22  ILE  58          HG22      ILE  58   2.020   5.548 -12.035
  477   HG23  ILE  58          HG23      ILE  58   1.653   6.178 -13.636
  478   HD11  ILE  58          HD11      ILE  58   1.683   0.916 -11.857
  479   HD12  ILE  58          HD12      ILE  58   0.714   1.220 -13.300
  480   HD13  ILE  58          HD13      ILE  58   2.499   1.345 -13.377
  481    H    GLU  59           H        GLU  59  -1.440   4.770 -14.580
  482    HA   GLU  59           HA       GLU  59  -0.874   7.144 -16.295
  483    HB2  GLU  59           HB2      GLU  59  -3.423   5.531 -15.813
  484    HB3  GLU  59           HB3      GLU  59  -3.462   7.196 -16.387
  485    HG2  GLU  59           HG2      GLU  59  -1.965   4.984 -17.846
  486    HG3  GLU  59           HG3      GLU  59  -3.650   5.373 -18.154
  487    H    GLU  60           H        GLU  60  -0.197   8.562 -14.725
  488    HA   GLU  60           HA       GLU  60  -1.123   8.453 -11.982
  489    HB2  GLU  60           HB2      GLU  60   0.415  10.562 -13.565
  490    HB3  GLU  60           HB3      GLU  60   0.047  10.681 -11.841
  491    HG2  GLU  60           HG2      GLU  60   1.282   8.574 -11.417
  492    HG3  GLU  60           HG3      GLU  60   1.683   8.464 -13.134
  493    H    LYS  61           H        LYS  61  -2.742   9.582 -10.983
  494    HA   LYS  61           HA       LYS  61  -4.069  11.860 -12.368
  495    HB2  LYS  61           HB2      LYS  61  -5.416   9.529 -10.929
  496    HB3  LYS  61           HB3      LYS  61  -6.229  11.024 -11.388
  497    HG2  LYS  61           HG2      LYS  61  -5.973  10.493 -13.744
  498    HG3  LYS  61           HG3      LYS  61  -4.951   9.096 -13.375
  499    HD2  LYS  61           HD2      LYS  61  -7.195   8.293 -13.879
  500    HD3  LYS  61           HD3      LYS  61  -6.787   7.979 -12.192
  501    HE2  LYS  61           HE2      LYS  61  -9.067   8.720 -12.281
  502    HE3  LYS  61           HE3      LYS  61  -8.097   9.954 -11.485
  503    HZ1  LYS  61           HZ1      LYS  61  -9.528  11.041 -13.009
  504    HZ2  LYS  61           HZ2      LYS  61  -8.053  11.131 -13.679
  505    HZ3  LYS  61           HZ3      LYS  61  -9.137  10.046 -14.260
  506    H    THR  62           H        THR  62  -4.997  13.281 -10.630
  507    HA   THR  62           HA       THR  62  -3.445  12.943  -8.082
  508    HB   THR  62           HB       THR  62  -4.315  15.538  -9.404
  509    HG1  THR  62           HG1      THR  62  -2.802  14.588 -10.729
  510   HG21  THR  62          HG21      THR  62  -2.606  16.514  -7.910
  511   HG22  THR  62          HG22      THR  62  -3.868  15.689  -6.982
  512   HG23  THR  62          HG23      THR  62  -2.286  14.907  -7.212
  513    H    VAL  63           H        VAL  63  -4.683  12.609  -6.281
  514    HA   VAL  63           HA       VAL  63  -7.539  13.373  -6.434
  515    HB   VAL  63           HB       VAL  63  -8.262  11.227  -5.730
  516   HG11  VAL  63          HG11      VAL  63  -6.348  10.698  -8.050
  517   HG12  VAL  63          HG12      VAL  63  -7.880   9.886  -7.676
  518   HG13  VAL  63          HG13      VAL  63  -7.876  11.569  -8.217
  519   HG21  VAL  63          HG21      VAL  63  -6.819   9.259  -5.523
  520   HG22  VAL  63          HG22      VAL  63  -5.375  10.235  -5.836
  521   HG23  VAL  63          HG23      VAL  63  -6.323  10.483  -4.355
  522    H    GLU  64           H        GLU  64  -8.648  13.261  -4.407
  523    HA   GLU  64           HA       GLU  64  -6.916  13.507  -1.977
  524    HB2  GLU  64           HB2      GLU  64  -8.174  15.592  -2.528
  525    HB3  GLU  64           HB3      GLU  64  -9.685  14.689  -2.450
  526    HG2  GLU  64           HG2      GLU  64  -9.277  14.146  -0.078
  527    HG3  GLU  64           HG3      GLU  64  -7.681  14.892  -0.158
  528    H    VAL  65           H        VAL  65  -7.019  11.680  -0.813
  529    HA   VAL  65           HA       VAL  65  -9.023   9.597  -1.327
  530    HB   VAL  65           HB       VAL  65  -6.627   9.761   0.573
  531   HG11  VAL  65          HG11      VAL  65  -7.011   7.222   0.684
  532   HG12  VAL  65          HG12      VAL  65  -8.169   8.227   1.555
  533   HG13  VAL  65          HG13      VAL  65  -8.613   7.545  -0.019
  534   HG21  VAL  65          HG21      VAL  65  -6.949   8.297  -2.081
  535   HG22  VAL  65          HG22      VAL  65  -5.896   9.693  -1.770
  536   HG23  VAL  65          HG23      VAL  65  -5.569   8.151  -0.983
  537    H    LEU  66           H        LEU  66 -10.974   9.868  -0.338
  538    HA   LEU  66           HA       LEU  66 -11.245  11.624   1.964
  539    HB2  LEU  66           HB2      LEU  66 -13.293   9.691   0.807
  540    HB3  LEU  66           HB3      LEU  66 -13.577  10.969   1.968
  541    HG   LEU  66           HG       LEU  66 -14.376  11.912   0.050
  542   HD11  LEU  66          HD11      LEU  66 -11.483  12.876  -0.101
  543   HD12  LEU  66          HD12      LEU  66 -12.932  13.723  -0.664
  544   HD13  LEU  66          HD13      LEU  66 -12.693  13.456   1.071
  545   HD21  LEU  66          HD21      LEU  66 -12.012  10.972  -1.600
  546   HD22  LEU  66          HD22      LEU  66 -13.569  10.122  -1.482
  547   HD23  LEU  66          HD23      LEU  66 -13.496  11.750  -2.166
  548    H    GLY  67           H        GLY  67 -11.090   8.085   1.431
  549    HA2  GLY  67           HA2      GLY  67  -9.925   7.414   3.799
  550    HA3  GLY  67           HA3      GLY  67 -11.674   7.331   4.131
  551    H    MET  68           H        MET  68 -10.712   5.022   4.384
  552    HA   MET  68           HA       MET  68 -10.378   3.411   1.990
  553    HB2  MET  68           HB2      MET  68 -11.117   2.600   4.822
  554    HB3  MET  68           HB3      MET  68 -10.790   1.488   3.480
  555    HG2  MET  68           HG2      MET  68  -8.519   2.591   3.218
  556    HG3  MET  68           HG3      MET  68  -8.852   3.482   4.700
  557    HE1  MET  68           HE1      MET  68  -9.081  -0.282   3.353
  558    HE2  MET  68           HE2      MET  68  -7.429   0.332   3.112
  559    HE3  MET  68           HE3      MET  68  -7.731  -0.958   4.295
  560    H    ALA  69           H        ALA  69 -11.868   1.957   1.102
  561    HA   ALA  69           HA       ALA  69 -14.540   2.951   0.713
  562    HB1  ALA  69           HB1      ALA  69 -14.762   0.904  -0.657
  563    HB2  ALA  69           HB2      ALA  69 -13.217   1.690  -0.977
  564    HB3  ALA  69           HB3      ALA  69 -13.290   0.245   0.073
  565    HA   PRO  70           HA       PRO  70 -16.934   0.834   3.857
  566    HB2  PRO  70           HB2      PRO  70 -18.291  -0.689   1.620
  567    HB3  PRO  70           HB3      PRO  70 -19.031   0.115   3.042
  568    HG2  PRO  70           HG2      PRO  70 -19.080   1.336   0.630
  569    HG3  PRO  70           HG3      PRO  70 -18.655   2.286   2.093
  570    HD2  PRO  70           HD2      PRO  70 -16.811   1.084   0.026
  571    HD3  PRO  70           HD3      PRO  70 -16.756   2.713   0.768
  572    H    ASP  71           H        ASP  71 -17.105  -1.191   4.977
  573    HA   ASP  71           HA       ASP  71 -15.019  -3.009   4.652
  574    HB2  ASP  71           HB2      ASP  71 -15.914  -4.223   6.392
  575    HB3  ASP  71           HB3      ASP  71 -16.490  -2.591   6.711
  576    H    ASP  72           H        ASP  72 -18.252  -3.070   3.148
  577    HA   ASP  72           HA       ASP  72 -18.222  -5.790   2.327
  578    HB2  ASP  72           HB2      ASP  72 -20.234  -4.369   2.170
  579    HB3  ASP  72           HB3      ASP  72 -19.463  -3.407   0.903
  580    H    GLU  73           H        GLU  73 -16.662  -2.925   0.997
  581    HA   GLU  73           HA       GLU  73 -15.814  -4.302  -1.481
  582    HB2  GLU  73           HB2      GLU  73 -15.128  -1.576  -0.295
  583    HB3  GLU  73           HB3      GLU  73 -14.483  -2.181  -1.814
  584    HG2  GLU  73           HG2      GLU  73 -17.461  -1.792  -1.289
  585    HG3  GLU  73           HG3      GLU  73 -16.413  -0.589  -2.023
  586    H    CYS  74           H        CYS  74 -14.523  -3.253   1.681
  587    HA   CYS  74           HA       CYS  74 -11.878  -4.102   1.063
  588    HB2  CYS  74           HB2      CYS  74 -13.076  -3.422   3.760
  589    HB3  CYS  74           HB3      CYS  74 -11.354  -3.616   3.383
  590    HG   CYS  74           HG       CYS  74 -13.553  -1.421   2.276
  591    H    LEU  75           H        LEU  75 -14.368  -6.085   1.378
  592    HA   LEU  75           HA       LEU  75 -12.980  -8.319   2.755
  593    HB2  LEU  75           HB2      LEU  75 -15.672  -7.948   1.395
  594    HB3  LEU  75           HB3      LEU  75 -15.070  -9.558   1.737
  595    HG   LEU  75           HG       LEU  75 -15.359  -7.484   3.934
  596   HD11  LEU  75          HD11      LEU  75 -17.363  -9.605   3.062
  597   HD12  LEU  75          HD12      LEU  75 -17.500  -8.542   4.484
  598   HD13  LEU  75          HD13      LEU  75 -17.542  -7.851   2.855
  599   HD21  LEU  75          HD21      LEU  75 -13.882  -9.438   4.424
  600   HD22  LEU  75          HD22      LEU  75 -15.358  -9.459   5.397
  601   HD23  LEU  75          HD23      LEU  75 -15.212 -10.527   3.986
  602    H    LYS  76           H        LYS  76 -13.121  -6.822  -0.332
  603    HA   LYS  76           HA       LYS  76 -12.660  -9.348  -1.840
  604    HB2  LYS  76           HB2      LYS  76 -13.405  -6.583  -2.836
  605    HB3  LYS  76           HB3      LYS  76 -13.347  -8.054  -3.794
  606    HG2  LYS  76           HG2      LYS  76 -15.282  -8.970  -2.662
  607    HG3  LYS  76           HG3      LYS  76 -15.224  -7.726  -1.409
  608    HD2  LYS  76           HD2      LYS  76 -15.647  -5.985  -3.177
  609    HD3  LYS  76           HD3      LYS  76 -15.993  -7.304  -4.319
  610    HE2  LYS  76           HE2      LYS  76 -17.861  -8.074  -2.965
  611    HE3  LYS  76           HE3      LYS  76 -17.328  -7.102  -1.596
  612    HZ1  LYS  76           HZ1      LYS  76 -17.774  -5.118  -3.136
  613    HZ2  LYS  76           HZ2      LYS  76 -18.713  -6.163  -3.990
  614    HZ3  LYS  76           HZ3      LYS  76 -19.017  -5.849  -2.391
  615    H    ASP  77           H        ASP  77 -11.390  -6.027  -1.345
  616    HA   ASP  77           HA       ASP  77  -8.663  -6.856  -1.482
  617    HB2  ASP  77           HB2      ASP  77  -9.274  -6.730  -3.982
  618    HB3  ASP  77           HB3      ASP  77  -9.577  -5.013  -3.726
  619    H    MET  78           H        MET  78  -7.318  -4.565  -1.320
  620    HA   MET  78           HA       MET  78  -8.870  -2.870   0.564
  621    HB2  MET  78           HB2      MET  78  -5.985  -2.697  -0.375
  622    HB3  MET  78           HB3      MET  78  -6.748  -1.586   0.768
  623    HG2  MET  78           HG2      MET  78  -6.347  -4.560   1.175
  624    HG3  MET  78           HG3      MET  78  -5.411  -3.263   1.906
  625    HE1  MET  78           HE1      MET  78  -9.130  -5.267   3.492
  626    HE2  MET  78           HE2      MET  78  -9.004  -4.997   1.746
  627    HE3  MET  78           HE3      MET  78  -7.738  -5.907   2.605
  628    H    TYR  79           H        TYR  79  -9.905  -1.069  -0.029
  629    HA   TYR  79           HA       TYR  79  -9.138   0.346  -2.527
  630    HB2  TYR  79           HB2      TYR  79 -12.005  -0.255  -1.753
  631    HB3  TYR  79           HB3      TYR  79 -11.470   0.628  -3.160
  632    HD1  TYR  79           HD1      TYR  79 -10.496  -0.614  -5.138
  633    HD2  TYR  79           HD2      TYR  79 -12.100  -2.632  -1.679
  634    HE1  TYR  79           HE1      TYR  79 -10.815  -2.670  -6.486
  635    HE2  TYR  79           HE2      TYR  79 -12.445  -4.660  -3.015
  636    HH   TYR  79           HH       TYR  79 -11.572  -4.926  -6.474
  637    H    VAL  80           H        VAL  80 -10.057   2.506  -2.628
  638    HA   VAL  80           HA       VAL  80 -10.699   3.785  -0.038
  639    HB   VAL  80           HB       VAL  80  -9.048   5.606  -0.853
  640   HG11  VAL  80          HG11      VAL  80  -8.660   4.434   1.213
  641   HG12  VAL  80          HG12      VAL  80  -8.008   3.014   0.356
  642   HG13  VAL  80          HG13      VAL  80  -7.137   4.567   0.349
  643   HG21  VAL  80          HG21      VAL  80  -7.075   4.912  -2.050
  644   HG22  VAL  80          HG22      VAL  80  -7.676   3.249  -2.215
  645   HG23  VAL  80          HG23      VAL  80  -8.493   4.584  -3.057
  646    H    GLU  81           H        GLU  81 -11.858   5.679  -0.262
  647    HA   GLU  81           HA       GLU  81 -13.238   6.107  -2.850
  648    HB2  GLU  81           HB2      GLU  81 -13.629   7.315  -0.066
  649    HB3  GLU  81           HB3      GLU  81 -14.540   7.774  -1.513
  650    HG2  GLU  81           HG2      GLU  81 -15.312   5.392  -1.739
  651    HG3  GLU  81           HG3      GLU  81 -14.516   5.021  -0.208
  652    H    VAL  82           H        VAL  82 -12.667   7.887  -4.102
  653    HA   VAL  82           HA       VAL  82 -10.629   9.755  -3.015
  654    HB   VAL  82           HB       VAL  82  -9.167   9.433  -4.844
  655   HG11  VAL  82          HG11      VAL  82  -8.239   7.281  -4.400
  656   HG12  VAL  82          HG12      VAL  82  -8.986   7.846  -2.895
  657   HG13  VAL  82          HG13      VAL  82  -9.805   6.628  -3.886
  658   HG21  VAL  82          HG21      VAL  82  -9.414   7.659  -6.554
  659   HG22  VAL  82          HG22      VAL  82 -11.059   7.328  -5.967
  660   HG23  VAL  82          HG23      VAL  82 -10.656   8.901  -6.699
  661    H    ALA  83           H        ALA  83 -10.692  11.812  -3.891
  662    HA   ALA  83           HA       ALA  83 -12.983  12.411  -5.720
  663    HB1  ALA  83           HB1      ALA  83 -12.797  14.716  -4.828
  664    HB2  ALA  83           HB2      ALA  83 -13.160  13.557  -3.537
  665    HB3  ALA  83           HB3      ALA  83 -11.511  14.189  -3.723
  666    H    ASP  84           H        ASP  84 -12.375  13.054  -7.733
  667    HA   ASP  84           HA       ASP  84  -9.507  12.882  -8.315
  668    HB2  ASP  84           HB2      ASP  84 -11.154  11.644  -9.643
  669    HB3  ASP  84           HB3      ASP  84 -11.926  13.161 -10.131
  670    H    ILE  85           H        ILE  85  -8.674  14.738  -7.438
  671    HA   ILE  85           HA       ILE  85  -9.658  17.359  -7.721
  672    HB   ILE  85           HB       ILE  85  -6.719  16.685  -7.534
  673   HG12  ILE  85          HG12      ILE  85  -8.563  16.871  -5.107
  674   HG13  ILE  85          HG13      ILE  85  -7.995  15.354  -5.779
  675   HG21  ILE  85          HG21      ILE  85  -7.444  19.100  -7.814
  676   HG22  ILE  85          HG22      ILE  85  -8.323  18.948  -6.274
  677   HG23  ILE  85          HG23      ILE  85  -6.558  18.800  -6.329
  678   HD11  ILE  85          HD11      ILE  85  -6.523  15.901  -3.962
  679   HD12  ILE  85          HD12      ILE  85  -5.619  16.112  -5.464
  680   HD13  ILE  85          HD13      ILE  85  -6.242  17.524  -4.574
  681    H    GLY  86           H        GLY  86  -7.427  15.424  -9.757
  682    HA2  GLY  86           HA2      GLY  86  -6.646  17.525 -11.536
  683    HA3  GLY  86           HA3      GLY  86  -6.541  15.781 -11.837
  684    H    GLY  87           H        GLY  87  -9.257  15.064 -11.670
  685    HA2  GLY  87           HA2      GLY  87 -10.071  15.758 -14.343
  686    HA3  GLY  87           HA3      GLY  87 -10.883  14.665 -13.220
  687    H    LYS  88           H        LYS  88 -11.599  16.322 -11.095
  688    HA   LYS  88           HA       LYS  88 -13.368  18.393 -12.331
  689    HB2  LYS  88           HB2      LYS  88 -14.342  15.931 -10.807
  690    HB3  LYS  88           HB3      LYS  88 -15.331  17.338 -11.202
  691    HG2  LYS  88           HG2      LYS  88 -14.943  16.904 -13.641
  692    HG3  LYS  88           HG3      LYS  88 -14.036  15.452 -13.208
  693    HD2  LYS  88           HD2      LYS  88 -16.257  14.775 -13.818
  694    HD3  LYS  88           HD3      LYS  88 -16.018  14.502 -12.101
  695    HE2  LYS  88           HE2      LYS  88 -18.236  15.356 -12.424
  696    HE3  LYS  88           HE3      LYS  88 -17.297  16.589 -11.588
  697    HZ1  LYS  88           HZ1      LYS  88 -17.921  16.578 -14.492
  698    HZ2  LYS  88           HZ2      LYS  88 -18.640  17.518 -13.376
  699    HZ3  LYS  88           HZ3      LYS  88 -17.066  17.746 -13.729
  700    H    ASP  89           H        ASP  89 -12.038  16.908  -9.377
  701    HA   ASP  89           HA       ASP  89 -12.084  17.436  -7.214
  702    HB2  ASP  89           HB2      ASP  89 -10.697  19.312  -8.112
  703    HB3  ASP  89           HB3      ASP  89 -12.144  20.317  -8.140
  704    H    ASP  90           H        ASP  90 -14.650  17.063  -8.574
  705    HA   ASP  90           HA       ASP  90 -16.520  18.253  -6.602
  706    HB2  ASP  90           HB2      ASP  90 -16.250  19.822  -8.546
  707    HB3  ASP  90           HB3      ASP  90 -16.813  18.543  -9.619
  708    H    ASP  91           H        ASP  91 -15.465  15.426  -7.722
  709    HA   ASP  91           HA       ASP  91 -18.004  14.103  -7.309
  710    HB2  ASP  91           HB2      ASP  91 -17.983  14.505  -9.806
  711    HB3  ASP  91           HB3      ASP  91 -16.487  13.569  -9.894
  712    H    VAL  92           H        VAL  92 -17.593  11.692  -7.075
  713    HA   VAL  92           HA       VAL  92 -14.869  11.220  -5.998
  714    HB   VAL  92           HB       VAL  92 -17.496  10.589  -4.633
  715   HG11  VAL  92          HG11      VAL  92 -15.823   8.936  -4.009
  716   HG12  VAL  92          HG12      VAL  92 -14.637  10.215  -3.680
  717   HG13  VAL  92          HG13      VAL  92 -16.079  10.037  -2.660
  718   HG21  VAL  92          HG21      VAL  92 -16.759  12.273  -2.923
  719   HG22  VAL  92          HG22      VAL  92 -15.411  12.723  -3.990
  720   HG23  VAL  92          HG23      VAL  92 -17.094  13.005  -4.488
  721    H    TYR  93           H        TYR  93 -14.217   9.170  -6.008
  722    HA   TYR  93           HA       TYR  93 -15.573   7.144  -7.710
  723    HB2  TYR  93           HB2      TYR  93 -12.681   8.117  -7.870
  724    HB3  TYR  93           HB3      TYR  93 -13.414   6.891  -8.885
  725    HD1  TYR  93           HD1      TYR  93 -13.350  10.541  -8.114
  726    HD2  TYR  93           HD2      TYR  93 -14.675   7.485 -10.859
  727    HE1  TYR  93           HE1      TYR  93 -14.037  12.292  -9.728
  728    HE2  TYR  93           HE2      TYR  93 -15.299   9.224 -12.502
  729    HH   TYR  93           HH       TYR  93 -15.400  11.506 -12.958
  730    H    THR  94           H        THR  94 -13.954   5.162  -7.642
  731    HA   THR  94           HA       THR  94 -12.844   4.781  -4.895
  732    HB   THR  94           HB       THR  94 -14.265   2.564  -6.398
  733    HG1  THR  94           HG1      THR  94 -15.781   4.151  -5.866
  734   HG21  THR  94          HG21      THR  94 -13.445   2.881  -3.475
  735   HG22  THR  94          HG22      THR  94 -14.332   1.501  -4.164
  736   HG23  THR  94          HG23      THR  94 -12.674   1.827  -4.684
  737    H    ALA  95           H        ALA  95 -10.878   3.799  -4.852
  738    HA   ALA  95           HA       ALA  95  -9.657   2.856  -7.400
  739    HB1  ALA  95           HB1      ALA  95  -8.437   4.792  -5.370
  740    HB2  ALA  95           HB2      ALA  95  -7.585   4.073  -6.745
  741    HB3  ALA  95           HB3      ALA  95  -8.934   5.195  -7.026
  742    H    LYS  96           H        LYS  96  -7.876   1.387  -6.983
  743    HA   LYS  96           HA       LYS  96  -8.177  -0.298  -4.590
  744    HB2  LYS  96           HB2      LYS  96  -6.167  -0.239  -6.889
  745    HB3  LYS  96           HB3      LYS  96  -6.133  -1.411  -5.572
  746    HG2  LYS  96           HG2      LYS  96  -8.169  -2.427  -6.213
  747    HG3  LYS  96           HG3      LYS  96  -8.596  -1.135  -7.342
  748    HD2  LYS  96           HD2      LYS  96  -6.066  -2.781  -7.691
  749    HD3  LYS  96           HD3      LYS  96  -7.624  -3.341  -8.320
  750    HE2  LYS  96           HE2      LYS  96  -7.803  -1.662  -9.904
  751    HE3  LYS  96           HE3      LYS  96  -6.806  -0.526  -8.991
  752    HZ1  LYS  96           HZ1      LYS  96  -4.862  -1.635  -9.610
  753    HZ2  LYS  96           HZ2      LYS  96  -5.670  -2.901 -10.330
  754    HZ3  LYS  96           HZ3      LYS  96  -5.704  -1.389 -10.972
  755    H    LEU  97           H        LEU  97  -6.859  -0.131  -2.804
  756    HA   LEU  97           HA       LEU  97  -5.209   2.190  -2.356
  757    HB2  LEU  97           HB2      LEU  97  -6.245   0.739  -0.559
  758    HB3  LEU  97           HB3      LEU  97  -5.097  -0.533  -0.993
  759    HG   LEU  97           HG       LEU  97  -3.200   0.977  -0.353
  760   HD11  LEU  97          HD11      LEU  97  -3.795   3.008   1.048
  761   HD12  LEU  97          HD12      LEU  97  -4.147   3.204  -0.670
  762   HD13  LEU  97          HD13      LEU  97  -5.459   2.858   0.483
  763   HD21  LEU  97          HD21      LEU  97  -4.166  -0.630   1.249
  764   HD22  LEU  97          HD22      LEU  97  -3.564   0.820   2.061
  765   HD23  LEU  97          HD23      LEU  97  -5.312   0.611   1.809
  766    H    SER  98           H        SER  98  -4.704  -0.989  -3.789
  767    HA   SER  98           HA       SER  98  -1.908  -1.148  -3.936
  768    HB2  SER  98           HB2      SER  98  -3.952  -2.086  -5.986
  769    HB3  SER  98           HB3      SER  98  -2.385  -2.815  -5.626
  770    HG   SER  98           HG       SER  98  -4.171  -3.898  -4.602
  771    H    ASP  99           H        ASP  99  -4.023   1.106  -5.561
  772    HA   ASP  99           HA       ASP  99  -1.980   1.656  -7.673
  773    HB2  ASP  99           HB2      ASP  99  -5.012   1.895  -7.657
  774    HB3  ASP  99           HB3      ASP  99  -4.010   2.773  -8.797
  775    H    ILE 100           H        ILE 100  -2.496   2.677  -4.671
  776    HA   ILE 100           HA       ILE 100  -2.476   5.590  -5.361
  777    HB   ILE 100           HB       ILE 100  -3.797   3.997  -3.195
  778   HG12  ILE 100          HG12      ILE 100  -4.795   4.966  -5.403
  779   HG13  ILE 100          HG13      ILE 100  -5.716   5.034  -3.905
  780   HG21  ILE 100          HG21      ILE 100  -3.023   6.909  -2.749
  781   HG22  ILE 100          HG22      ILE 100  -4.237   5.999  -1.822
  782   HG23  ILE 100          HG23      ILE 100  -2.548   5.496  -1.781
  783   HD11  ILE 100          HD11      ILE 100  -5.274   7.391  -3.660
  784   HD12  ILE 100          HD12      ILE 100  -4.134   7.367  -5.025
  785   HD13  ILE 100          HD13      ILE 100  -5.868   7.069  -5.293
  786    H    GLU 101           H        GLU 101  -1.120   6.895  -4.408
  787    HA   GLU 101           HA       GLU 101   0.812   5.900  -2.415
  788    HB2  GLU 101           HB2      GLU 101   2.007   5.714  -4.574
  789    HB3  GLU 101           HB3      GLU 101   1.583   7.380  -4.972
  790    HG2  GLU 101           HG2      GLU 101   3.889   7.253  -4.214
  791    HG3  GLU 101           HG3      GLU 101   2.945   8.203  -3.082
  792    H    ALA 102           H        ALA 102   1.288   7.599  -0.894
  793    HA   ALA 102           HA       ALA 102  -0.794   9.707  -0.952
  794    HB1  ALA 102           HB1      ALA 102  -0.040  10.164   1.353
  795    HB2  ALA 102           HB2      ALA 102  -0.573   8.511   1.136
  796    HB3  ALA 102           HB3      ALA 102   1.171   8.865   1.213
  797    H    ILE 103           H        ILE 103  -0.367  11.899  -0.580
  798    HA   ILE 103           HA       ILE 103   2.423  12.885  -0.958
  799    HB   ILE 103           HB       ILE 103  -0.200  14.012  -2.027
  800   HG12  ILE 103          HG12      ILE 103   2.089  12.910  -3.715
  801   HG13  ILE 103          HG13      ILE 103   0.662  11.967  -3.305
  802   HG21  ILE 103          HG21      ILE 103   1.171  15.710  -3.187
  803   HG22  ILE 103          HG22      ILE 103   1.417  15.798  -1.457
  804   HG23  ILE 103          HG23      ILE 103   2.645  15.015  -2.478
  805   HD11  ILE 103          HD11      ILE 103   0.658  14.508  -4.962
  806   HD12  ILE 103          HD12      ILE 103   0.330  12.858  -5.489
  807   HD13  ILE 103          HD13      ILE 103  -0.799  13.655  -4.389
  808    H    ASP 104           H        ASP 104   3.059  14.342   0.490
  809    HA   ASP 104           HA       ASP 104   3.154  15.538   2.393
  810    HB2  ASP 104           HB2      ASP 104   2.426  17.107   0.659
  811    HB3  ASP 104           HB3      ASP 104   0.740  16.831   1.104
  812    H    VAL 105           H        VAL 105   2.169  13.192   3.130
  813    HA   VAL 105           HA       VAL 105   0.088  13.879   5.161
  814    HB   VAL 105           HB       VAL 105  -0.530  12.277   3.255
  815   HG11  VAL 105          HG11      VAL 105  -0.010   9.904   3.613
  816   HG12  VAL 105          HG12      VAL 105   1.433  10.862   3.209
  817   HG13  VAL 105          HG13      VAL 105   1.149  10.325   4.872
  818   HG21  VAL 105          HG21      VAL 105  -1.869  12.666   5.276
  819   HG22  VAL 105          HG22      VAL 105  -1.985  11.041   4.606
  820   HG23  VAL 105          HG23      VAL 105  -1.046  11.308   6.074
  821    H    ASP 106           H        ASP 106   0.205  12.073   7.028
  822    HA   ASP 106           HA       ASP 106   2.783  12.623   8.297
  823    HB2  ASP 106           HB2      ASP 106   0.500  12.751   9.459
  824    HB3  ASP 106           HB3      ASP 106   0.514  10.973   9.399
  825    H    ASP 107           H        ASP 107   3.755  10.862   9.529
  826    HA   ASP 107           HA       ASP 107   4.988   9.130   7.653
  827    HB2  ASP 107           HB2      ASP 107   6.138   9.989   9.628
  828    HB3  ASP 107           HB3      ASP 107   5.054   9.090  10.693
  829    H    ASP 108           H        ASP 108   2.611   8.358  10.254
  830    HA   ASP 108           HA       ASP 108   2.652   5.542   9.841
  831    HB2  ASP 108           HB2      ASP 108   0.610   7.426  11.067
  832    HB3  ASP 108           HB3      ASP 108   0.294   5.704  10.899
  833    H    THR 109           H        THR 109   0.732   8.142   8.258
  834    HA   THR 109           HA       THR 109  -1.068   6.279   6.957
  835    HB   THR 109           HB       THR 109  -0.429   9.205   6.332
  836    HG1  THR 109           HG1      THR 109  -1.315   8.887   8.420
  837   HG21  THR 109          HG21      THR 109  -1.596   8.179   4.428
  838   HG22  THR 109          HG22      THR 109  -2.796   7.465   5.540
  839   HG23  THR 109          HG23      THR 109  -2.718   9.200   5.353
  840    H    GLN 110           H        GLN 110   2.006   7.948   6.031
  841    HA   GLN 110           HA       GLN 110   2.043   6.797   3.420
  842    HB2  GLN 110           HB2      GLN 110   3.869   8.367   5.098
  843    HB3  GLN 110           HB3      GLN 110   4.758   7.131   4.207
  844    HG2  GLN 110           HG2      GLN 110   2.788   9.042   2.924
  845    HG3  GLN 110           HG3      GLN 110   4.504   9.378   3.088
  846   HE21  GLN 110          HE22      GLN 110   3.406   5.981   2.170
  847   HE22  GLN 110          HE21      GLN 110   3.626   6.286   0.455
  848    H    GLU 111           H        GLU 111   3.320   5.617   6.563
  849    HA   GLU 111           HA       GLU 111   4.716   3.384   5.509
  850    HB2  GLU 111           HB2      GLU 111   3.542   4.091   8.215
  851    HB3  GLU 111           HB3      GLU 111   4.244   2.504   7.960
  852    HG2  GLU 111           HG2      GLU 111   5.732   5.088   7.357
  853    HG3  GLU 111           HG3      GLU 111   5.788   4.263   8.921
  854    H    ALA 112           H        ALA 112   1.291   3.702   6.562
  855    HA   ALA 112           HA       ALA 112   0.625   0.935   6.323
  856    HB1  ALA 112           HB1      ALA 112  -0.856   2.614   7.363
  857    HB2  ALA 112           HB2      ALA 112  -1.068   3.419   5.800
  858    HB3  ALA 112           HB3      ALA 112  -1.697   1.774   6.047
  859    H    ILE 113           H        ILE 113   0.607   3.606   3.941
  860    HA   ILE 113           HA       ILE 113  -0.491   2.057   1.799
  861    HB   ILE 113           HB       ILE 113   1.001   4.686   1.997
  862   HG12  ILE 113          HG12      ILE 113  -1.927   4.151   1.347
  863   HG13  ILE 113          HG13      ILE 113  -1.362   4.285   3.006
  864   HG21  ILE 113          HG21      ILE 113  -0.310   3.506  -0.487
  865   HG22  ILE 113          HG22      ILE 113   0.223   5.194  -0.307
  866   HG23  ILE 113          HG23      ILE 113   1.413   3.895  -0.258
  867   HD11  ILE 113          HD11      ILE 113  -1.344   6.434   0.908
  868   HD12  ILE 113          HD12      ILE 113  -2.157   6.401   2.492
  869   HD13  ILE 113          HD13      ILE 113  -0.399   6.544   2.426
  870    H    ALA 114           H        ALA 114   2.907   3.069   2.516
  871    HA   ALA 114           HA       ALA 114   4.134   1.712   0.370
  872    HB1  ALA 114           HB1      ALA 114   6.181   1.838   1.753
  873    HB2  ALA 114           HB2      ALA 114   5.291   3.375   1.784
  874    HB3  ALA 114           HB3      ALA 114   5.209   2.266   3.175
  875    H    ASP 115           H        ASP 115   3.220   0.580   3.639
  876    HA   ASP 115           HA       ASP 115   4.452  -1.995   3.416
  877    HB2  ASP 115           HB2      ASP 115   3.665  -0.922   5.543
  878    HB3  ASP 115           HB3      ASP 115   2.005  -1.305   5.078
  879    H    TRP 116           H        TRP 116   1.205  -0.822   2.496
  880    HA   TRP 116           HA       TRP 116   0.205  -3.419   1.741
  881    HB2  TRP 116           HB2      TRP 116  -1.274  -1.483   2.201
  882    HB3  TRP 116           HB3      TRP 116  -0.652  -0.666   0.764
  883    HD1  TRP 116           HD1      TRP 116  -1.833  -1.206  -1.457
  884    HE1  TRP 116           HE1      TRP 116  -3.383  -3.020  -2.370
  885    HE3  TRP 116           HE3      TRP 116  -2.106  -4.167   2.710
  886    HZ2  TRP 116           HZ2      TRP 116  -4.734  -5.369  -1.330
  887    HZ3  TRP 116           HZ3      TRP 116  -3.510  -6.210   2.701
  888    HH2  TRP 116           HH2      TRP 116  -4.830  -6.818   0.691
  889    H    LEU 117           H        LEU 117   2.045  -0.848   0.017
  890    HA   LEU 117           HA       LEU 117   1.942  -2.188  -2.524
  891    HB2  LEU 117           HB2      LEU 117   3.930  -0.167  -1.433
  892    HB3  LEU 117           HB3      LEU 117   3.923  -0.755  -3.088
  893    HG   LEU 117           HG       LEU 117   1.585   0.719  -1.791
  894   HD11  LEU 117          HD11      LEU 117   3.683   1.734  -3.748
  895   HD12  LEU 117          HD12      LEU 117   2.269   2.637  -3.152
  896   HD13  LEU 117          HD13      LEU 117   3.553   2.172  -2.029
  897   HD21  LEU 117          HD21      LEU 117   0.772   0.982  -4.122
  898   HD22  LEU 117          HD22      LEU 117   2.063  -0.101  -4.685
  899   HD23  LEU 117          HD23      LEU 117   0.784  -0.699  -3.603
  900    H    TYR 118           H        TYR 118   4.053  -2.670   0.344
  901    HA   TYR 118           HA       TYR 118   5.854  -4.464  -1.007
  902    HB2  TYR 118           HB2      TYR 118   4.921  -4.818   1.857
  903    HB3  TYR 118           HB3      TYR 118   6.374  -5.432   1.122
  904    HD1  TYR 118           HD1      TYR 118   6.997  -2.489  -0.206
  905    HD2  TYR 118           HD2      TYR 118   6.147  -4.039   3.735
  906    HE1  TYR 118           HE1      TYR 118   8.237  -0.611   0.797
  907    HE2  TYR 118           HE2      TYR 118   7.347  -2.143   4.742
  908    HH   TYR 118           HH       TYR 118   8.971   0.386   2.773
  909    H    TRP 119           H        TRP 119   2.800  -5.050   0.841
  910    HA   TRP 119           HA       TRP 119   2.645  -7.827   0.437
  911    HB2  TRP 119           HB2      TRP 119   1.277  -6.819   2.056
  912    HB3  TRP 119           HB3      TRP 119   0.619  -5.649   0.932
  913    HD1  TRP 119           HD1      TRP 119  -1.197  -6.502  -0.856
  914    HE1  TRP 119           HE1      TRP 119  -3.005  -8.271  -0.662
  915    HE3  TRP 119           HE3      TRP 119   0.722  -9.197   3.054
  916    HZ2  TRP 119           HZ2      TRP 119  -3.750 -10.349   1.203
  917    HZ3  TRP 119           HZ3      TRP 119  -0.621 -10.996   4.095
  918    HH2  TRP 119           HH2      TRP 119  -2.875 -11.574   3.191
  919    H    LEU 120           H        LEU 120   1.452  -5.175  -1.696
  920    HA   LEU 120           HA       LEU 120   0.174  -6.735  -3.632
  921    HB2  LEU 120           HB2      LEU 120   0.064  -4.283  -3.422
  922    HB3  LEU 120           HB3      LEU 120   1.770  -4.152  -3.828
  923    HG   LEU 120           HG       LEU 120   1.297  -5.027  -6.120
  924   HD11  LEU 120          HD11      LEU 120  -0.710  -6.304  -5.853
  925   HD12  LEU 120          HD12      LEU 120  -1.589  -4.927  -5.128
  926   HD13  LEU 120          HD13      LEU 120  -1.143  -4.921  -6.851
  927   HD21  LEU 120          HD21      LEU 120  -0.220  -2.565  -5.170
  928   HD22  LEU 120          HD22      LEU 120   1.469  -2.642  -5.698
  929   HD23  LEU 120          HD23      LEU 120   0.172  -2.920  -6.868
  930    H    ALA 121           H        ALA 121   3.606  -5.558  -3.649
  931    HA   ALA 121           HA       ALA 121   4.306  -7.089  -5.978
  932    HB1  ALA 121           HB1      ALA 121   6.637  -6.428  -5.310
  933    HB2  ALA 121           HB2      ALA 121   5.501  -5.066  -5.389
  934    HB3  ALA 121           HB3      ALA 121   5.960  -5.739  -3.815
  935    H    ARG 122           H        ARG 122   4.276  -7.870  -2.538
  936    HA   ARG 122           HA       ARG 122   5.977 -10.161  -2.592
  937    HB2  ARG 122           HB2      ARG 122   5.314  -8.899  -0.561
  938    HB3  ARG 122           HB3      ARG 122   3.650  -9.427  -0.771
  939    HG2  ARG 122           HG2      ARG 122   4.719 -10.603   1.018
  940    HG3  ARG 122           HG3      ARG 122   4.263 -11.739  -0.240
  941    HD2  ARG 122           HD2      ARG 122   7.067 -10.569  -0.176
  942    HD3  ARG 122           HD3      ARG 122   6.608 -11.856   0.954
  943    HE   ARG 122           HE       ARG 122   5.875 -12.555  -1.733
  944   HH11  ARG 122          HH11      ARG 122   8.712 -12.348   0.441
  945   HH12  ARG 122          HH12      ARG 122   9.446 -13.791  -0.185
  946   HH21  ARG 122          HH21      ARG 122   6.917 -14.403  -2.608
  947   HH22  ARG 122          HH22      ARG 122   8.402 -14.981  -1.947
  948    H    GLY 123           H        GLY 123   2.669  -9.659  -3.661
  949    HA2  GLY 123           HA2      GLY 123   1.624 -11.080  -5.197
  950    HA3  GLY 123           HA3      GLY 123   2.635 -12.438  -4.685
  951    H    TYR 124           H        TYR 124   0.912 -10.316  -2.416
  952    HA   TYR 124           HA       TYR 124  -0.584 -10.593  -0.825
  953    HB2  TYR 124           HB2      TYR 124  -1.758 -11.963  -3.201
  954    HB3  TYR 124           HB3      TYR 124  -2.637 -12.052  -1.689
  955    HD1  TYR 124           HD1      TYR 124  -0.839  -9.379  -3.701
  956    HD2  TYR 124           HD2      TYR 124  -4.377 -10.526  -1.507
  957    HE1  TYR 124           HE1      TYR 124  -1.881  -7.226  -4.242
  958    HE2  TYR 124           HE2      TYR 124  -5.412  -8.353  -2.033
  959    HH   TYR 124           HH       TYR 124  -5.187  -6.304  -3.213
  960    H    LYS 125           H        LYS 125  -1.842 -12.037   0.627
  961    HA   LYS 125           HA       LYS 125  -0.857 -14.843   0.777
  962    HB2  LYS 125           HB2      LYS 125  -1.004 -13.154   3.266
  963    HB3  LYS 125           HB3      LYS 125  -0.333 -14.761   3.077
  964    HG2  LYS 125           HG2      LYS 125   1.516 -13.814   1.659
  965    HG3  LYS 125           HG3      LYS 125   0.856 -12.199   1.931
  966    HD2  LYS 125           HD2      LYS 125   2.659 -12.404   3.428
  967    HD3  LYS 125           HD3      LYS 125   1.204 -12.560   4.423
  968    HE2  LYS 125           HE2      LYS 125   1.475 -15.045   4.393
  969    HE3  LYS 125           HE3      LYS 125   2.902 -14.869   3.364
  970    HZ1  LYS 125           HZ1      LYS 125   3.969 -13.623   5.184
  971    HZ2  LYS 125           HZ2      LYS 125   2.661 -13.878   6.142
  972    HZ3  LYS 125           HZ3      LYS 125   3.562 -15.141   5.640
  973    H    PHE 126           H        PHE 126  -3.473 -13.068   0.375
  974    HA   PHE 126           HA       PHE 126  -5.411 -14.076   2.260
  975    HB2  PHE 126           HB2      PHE 126  -5.552 -13.275  -0.653
  976    HB3  PHE 126           HB3      PHE 126  -6.965 -13.769   0.284
  977    HD1  PHE 126           HD1      PHE 126  -5.690 -12.030   2.817
  978    HD2  PHE 126           HD2      PHE 126  -6.938 -11.275  -1.237
  979    HE1  PHE 126           HE1      PHE 126  -6.159  -9.673   3.398
  980    HE2  PHE 126           HE2      PHE 126  -7.426  -8.920  -0.642
  981    HZ   PHE 126           HZ       PHE 126  -7.023  -8.107   1.675
  Start of MODEL    9
    1    H1   MET   1           H1       MET   1  11.940 -18.146  -1.124
    2    H2   MET   1           H2       MET   1  11.490 -17.151  -2.342
    3    H3   MET   1           H3       MET   1  12.461 -16.592  -1.151
    4    HA   MET   1           HA       MET   1   9.681 -17.472  -0.847
    5    HB2  MET   1           HB2      MET   1  10.977 -17.947   1.172
    6    HB3  MET   1           HB3      MET   1  11.506 -16.268   1.266
    7    HG2  MET   1           HG2      MET   1   9.667 -16.733   2.812
    8    HG3  MET   1           HG3      MET   1   9.195 -15.526   1.625
    9    HE1  MET   1           HE1      MET   1   7.127 -16.936   3.527
   10    HE2  MET   1           HE2      MET   1   6.674 -15.748   2.282
   11    HE3  MET   1           HE3      MET   1   5.805 -17.295   2.394
   12    H    ALA   2           H        ALA   2  11.345 -14.459   0.172
   13    HA   ALA   2           HA       ALA   2   9.909 -12.841  -1.809
   14    HB1  ALA   2           HB1      ALA   2   8.230 -13.109  -0.012
   15    HB2  ALA   2           HB2      ALA   2   9.429 -12.592   1.198
   16    HB3  ALA   2           HB3      ALA   2   8.868 -11.453  -0.041
   17    H    SER   3           H        SER   3  10.664 -10.620  -1.730
   18    HA   SER   3           HA       SER   3  13.319 -10.186  -0.482
   19    HB2  SER   3           HB2      SER   3  12.756  -9.994  -3.475
   20    HB3  SER   3           HB3      SER   3  14.308  -9.728  -2.664
   21    HG   SER   3           HG       SER   3  14.157 -11.800  -3.622
   22    H    VAL   4           H        VAL   4  10.781  -8.958   0.164
   23    HA   VAL   4           HA       VAL   4  11.268  -6.177  -0.734
   24    HB   VAL   4           HB       VAL   4   9.701  -7.317  -2.292
   25   HG11  VAL   4          HG11      VAL   4   7.699  -7.310  -0.012
   26   HG12  VAL   4          HG12      VAL   4   7.397  -7.722  -1.712
   27   HG13  VAL   4          HG13      VAL   4   8.456  -8.748  -0.729
   28   HG21  VAL   4          HG21      VAL   4   8.507  -4.934  -0.860
   29   HG22  VAL   4          HG22      VAL   4   9.751  -4.894  -2.122
   30   HG23  VAL   4          HG23      VAL   4   8.130  -5.496  -2.499
   31    H    GLU   5           H        GLU   5  11.720  -7.763   1.728
   32    HA   GLU   5           HA       GLU   5  10.749  -5.735   3.589
   33    HB2  GLU   5           HB2      GLU   5  10.221  -7.462   5.291
   34    HB3  GLU   5           HB3      GLU   5   9.071  -7.409   3.963
   35    HG2  GLU   5           HG2      GLU   5  11.313  -9.471   4.090
   36    HG3  GLU   5           HG3      GLU   5   9.761  -9.697   4.875
   37    H    ARG   6           H        ARG   6  12.239  -5.573   5.461
   38    HA   ARG   6           HA       ARG   6  14.889  -5.796   4.532
   39    HB2  ARG   6           HB2      ARG   6  13.929  -4.028   5.948
   40    HB3  ARG   6           HB3      ARG   6  13.699  -5.181   7.265
   41    HG2  ARG   6           HG2      ARG   6  16.154  -5.463   7.467
   42    HG3  ARG   6           HG3      ARG   6  16.383  -4.298   6.127
   43    HD2  ARG   6           HD2      ARG   6  15.093  -2.611   7.391
   44    HD3  ARG   6           HD3      ARG   6  14.848  -3.770   8.705
   45    HE   ARG   6           HE       ARG   6  17.643  -3.520   8.224
   46   HH11  ARG   6          HH11      ARG   6  14.982  -1.577   9.548
   47   HH12  ARG   6          HH12      ARG   6  15.990  -0.647  10.593
   48   HH21  ARG   6          HH21      ARG   6  18.990  -2.280   9.616
   49   HH22  ARG   6          HH22      ARG   6  18.321  -1.058  10.627
   50    H    ASP   7           H        ASP   7  13.278  -7.483   7.303
   51    HA   ASP   7           HA       ASP   7  15.038  -9.811   6.947
   52    HB2  ASP   7           HB2      ASP   7  16.423  -8.170   8.220
   53    HB3  ASP   7           HB3      ASP   7  15.172  -8.079   9.453
   54    H    GLU   8           H        GLU   8  12.399  -9.809   6.534
   55    HA   GLU   8           HA       GLU   8  10.333 -10.501   7.112
   56    HB2  GLU   8           HB2      GLU   8  11.813 -12.307   9.059
   57    HB3  GLU   8           HB3      GLU   8  10.120 -12.466   8.593
   58    HG2  GLU   8           HG2      GLU   8  10.773 -12.771   6.226
   59    HG3  GLU   8           HG3      GLU   8  12.476 -12.644   6.671
   60    H    THR   9           H        THR   9  11.677  -8.245   8.699
   61    HA   THR   9           HA       THR   9  10.442  -7.889  11.215
   62    HB   THR   9           HB       THR   9  10.798  -5.423  10.300
   63    HG1  THR   9           HG1      THR   9  11.864  -5.253   8.453
   64   HG21  THR   9          HG21      THR   9  12.352  -6.495  11.891
   65   HG22  THR   9          HG22      THR   9  13.142  -7.366  10.560
   66   HG23  THR   9          HG23      THR   9  13.253  -5.594  10.658
   67    H    ARG  10           H        ARG  10   9.471  -7.074   7.867
   68    HA   ARG  10           HA       ARG  10   6.952  -5.903   8.535
   69    HB2  ARG  10           HB2      ARG  10   7.841  -7.340   5.997
   70    HB3  ARG  10           HB3      ARG  10   6.340  -6.438   6.136
   71    HG2  ARG  10           HG2      ARG  10   9.054  -5.139   6.645
   72    HG3  ARG  10           HG3      ARG  10   8.316  -5.221   5.042
   73    HD2  ARG  10           HD2      ARG  10   6.429  -3.934   5.705
   74    HD3  ARG  10           HD3      ARG  10   6.876  -3.993   7.420
   75    HE   ARG  10           HE       ARG  10   9.034  -2.811   6.104
   76   HH11  ARG  10          HH11      ARG  10   5.557  -2.009   6.522
   77   HH12  ARG  10          HH12      ARG  10   5.918  -0.280   6.659
   78   HH21  ARG  10          HH21      ARG  10   9.333  -0.472   6.224
   79   HH22  ARG  10          HH22      ARG  10   7.909   0.527   6.457
   80    H    GLU  11           H        GLU  11   7.790  -9.327   7.704
   81    HA   GLU  11           HA       GLU  11   5.117 -10.280   7.920
   82    HB2  GLU  11           HB2      GLU  11   7.828 -11.632   8.265
   83    HB3  GLU  11           HB3      GLU  11   6.319 -12.520   8.459
   84    HG2  GLU  11           HG2      GLU  11   7.075 -10.991   5.947
   85    HG3  GLU  11           HG3      GLU  11   7.347 -12.718   6.190
   86    H    HIS  12           H        HIS  12   7.707 -10.035  10.387
   87    HA   HIS  12           HA       HIS  12   6.260 -11.193  12.506
   88    HB2  HIS  12           HB2      HIS  12   8.651 -10.698  12.617
   89    HB3  HIS  12           HB3      HIS  12   8.338  -8.966  12.539
   90    HD1  HIS  12           HD1      HIS  12   8.366  -7.843  14.886
   91    HD2  HIS  12           HD2      HIS  12   7.308 -11.920  14.921
   92    HE1  HIS  12           HE1      HIS  12   8.033  -8.476  17.328
   93    H    ARG  13           H        ARG  13   6.323  -7.717  11.462
   94    HA   ARG  13           HA       ARG  13   4.452  -6.931  13.519
   95    HB2  ARG  13           HB2      ARG  13   5.336  -5.614  10.920
   96    HB3  ARG  13           HB3      ARG  13   4.252  -4.830  12.063
   97    HG2  ARG  13           HG2      ARG  13   6.999  -5.815  12.950
   98    HG3  ARG  13           HG3      ARG  13   6.786  -4.276  12.130
   99    HD2  ARG  13           HD2      ARG  13   6.842  -3.897  14.514
  100    HD3  ARG  13           HD3      ARG  13   5.257  -3.483  13.856
  101    HE   ARG  13           HE       ARG  13   5.682  -6.157  15.100
  102   HH11  ARG  13          HH11      ARG  13   4.237  -2.901  15.508
  103   HH12  ARG  13          HH12      ARG  13   3.008  -3.517  16.599
  104   HH21  ARG  13          HH21      ARG  13   3.897  -6.846  16.451
  105   HH22  ARG  13          HH22      ARG  13   2.890  -5.597  17.169
  106    H    ILE  14           H        ILE  14   3.979  -7.888  10.101
  107    HA   ILE  14           HA       ILE  14   1.202  -7.364   9.976
  108    HB   ILE  14           HB       ILE  14   3.042  -9.360   8.619
  109   HG12  ILE  14          HG12      ILE  14   1.526  -6.991   7.458
  110   HG13  ILE  14          HG13      ILE  14   3.119  -6.815   8.157
  111   HG21  ILE  14          HG21      ILE  14   0.079  -8.973   8.021
  112   HG22  ILE  14          HG22      ILE  14   1.226  -9.874   7.002
  113   HG23  ILE  14          HG23      ILE  14   0.875 -10.454   8.617
  114   HD11  ILE  14          HD11      ILE  14   4.015  -8.476   6.504
  115   HD12  ILE  14          HD12      ILE  14   2.420  -8.492   5.714
  116   HD13  ILE  14          HD13      ILE  14   3.363  -6.998   5.776
  117    H    GLU  15           H        GLU  15   2.941 -10.359  10.960
  118    HA   GLU  15           HA       GLU  15   0.645 -11.825  11.612
  119    HB2  GLU  15           HB2      GLU  15   2.854 -12.798  11.229
  120    HB3  GLU  15           HB3      GLU  15   3.494 -12.026  12.687
  121    HG2  GLU  15           HG2      GLU  15   1.992 -13.357  14.098
  122    HG3  GLU  15           HG3      GLU  15   1.217 -14.051  12.669
  123    H    THR  16           H        THR  16   2.752  -9.805  13.772
  124    HA   THR  16           HA       THR  16   1.145 -10.589  16.059
  125    HB   THR  16           HB       THR  16   2.731  -9.125  17.323
  126    HG1  THR  16           HG1      THR  16   4.135  -8.947  14.869
  127   HG21  THR  16          HG21      THR  16   4.671 -10.581  17.034
  128   HG22  THR  16          HG22      THR  16   3.173 -11.524  17.009
  129   HG23  THR  16          HG23      THR  16   4.029 -11.188  15.491
  130    H    GLU  17           H        GLU  17   0.782  -7.987  13.827
  131    HA   GLU  17           HA       GLU  17  -0.857  -6.505  15.830
  132    HB2  GLU  17           HB2      GLU  17   1.556  -5.684  14.979
  133    HB3  GLU  17           HB3      GLU  17   0.608  -5.073  13.634
  134    HG2  GLU  17           HG2      GLU  17   0.827  -3.308  15.217
  135    HG3  GLU  17           HG3      GLU  17  -0.844  -3.845  15.319
  136    H    ILE  18           H        ILE  18  -0.944  -7.907  12.624
  137    HA   ILE  18           HA       ILE  18  -3.303  -6.181  11.976
  138    HB   ILE  18           HB       ILE  18  -1.426  -7.492   9.988
  139   HG12  ILE  18          HG12      ILE  18  -1.347  -4.678  11.154
  140   HG13  ILE  18          HG13      ILE  18  -0.082  -5.897  11.231
  141   HG21  ILE  18          HG21      ILE  18  -3.756  -6.919   9.208
  142   HG22  ILE  18          HG22      ILE  18  -3.435  -5.236   9.634
  143   HG23  ILE  18          HG23      ILE  18  -2.496  -6.043   8.359
  144   HD11  ILE  18          HD11      ILE  18   0.610  -4.324   9.603
  145   HD12  ILE  18          HD12      ILE  18   0.099  -5.769   8.707
  146   HD13  ILE  18          HD13      ILE  18  -0.956  -4.344   8.778
  147    H    ILE  19           H        ILE  19  -1.981  -9.540  11.613
  148    HA   ILE  19           HA       ILE  19  -4.783 -10.469  11.153
  149    HB   ILE  19           HB       ILE  19  -3.834 -11.987   9.515
  150   HG12  ILE  19          HG12      ILE  19  -1.250 -10.398   9.635
  151   HG13  ILE  19          HG13      ILE  19  -1.461 -11.814  10.670
  152   HG21  ILE  19          HG21      ILE  19  -3.469 -10.357   7.730
  153   HG22  ILE  19          HG22      ILE  19  -4.757  -9.779   8.802
  154   HG23  ILE  19          HG23      ILE  19  -3.122  -9.089   8.888
  155   HD11  ILE  19          HD11      ILE  19  -0.361 -12.493   8.675
  156   HD12  ILE  19          HD12      ILE  19  -2.008 -13.171   8.707
  157   HD13  ILE  19          HD13      ILE  19  -1.644 -11.772   7.655
  158    H    VAL  20           H        VAL  20  -3.126 -10.554  13.713
  159    HA   VAL  20           HA       VAL  20  -1.883 -12.882  14.184
  160    HB   VAL  20           HB       VAL  20  -2.072 -10.902  15.685
  161   HG11  VAL  20          HG11      VAL  20  -3.808 -10.766  17.383
  162   HG12  VAL  20          HG12      VAL  20  -4.554 -10.713  15.780
  163   HG13  VAL  20          HG13      VAL  20  -4.615 -12.210  16.738
  164   HG21  VAL  20          HG21      VAL  20  -1.729 -12.116  17.775
  165   HG22  VAL  20          HG22      VAL  20  -2.496 -13.568  17.091
  166   HG23  VAL  20          HG23      VAL  20  -0.955 -12.973  16.430
  167    H    ASP  21           H        ASP  21  -5.438 -12.629  14.326
  168    HA   ASP  21           HA       ASP  21  -5.572 -15.546  14.841
  169    HB2  ASP  21           HB2      ASP  21  -7.537 -15.252  16.020
  170    HB3  ASP  21           HB3      ASP  21  -6.539 -13.911  16.560
  171    H    ALA  22           H        ALA  22  -5.458 -13.658  12.302
  172    HA   ALA  22           HA       ALA  22  -8.021 -14.380  11.013
  173    HB1  ALA  22           HB1      ALA  22  -6.176 -12.079  10.370
  174    HB2  ALA  22           HB2      ALA  22  -7.700 -12.516   9.580
  175    HB3  ALA  22           HB3      ALA  22  -7.716 -11.982  11.276
  176    H    GLU  23           H        GLU  23  -7.949 -15.747   9.590
  177    HA   GLU  23           HA       GLU  23  -5.942 -15.899   7.478
  178    HB2  GLU  23           HB2      GLU  23  -5.066 -17.924   7.784
  179    HB3  GLU  23           HB3      GLU  23  -5.107 -17.266   9.421
  180    HG2  GLU  23           HG2      GLU  23  -7.078 -19.287   8.318
  181    HG3  GLU  23           HG3      GLU  23  -5.602 -19.713   9.171
  182    H    ASP  24           H        ASP  24  -9.075 -16.541   8.668
  183    HA   ASP  24           HA       ASP  24  -9.998 -18.010   6.295
  184    HB2  ASP  24           HB2      ASP  24 -11.556 -16.505   8.436
  185    HB3  ASP  24           HB3      ASP  24 -12.222 -17.518   7.170
  186    H    LYS  25           H        LYS  25 -10.797 -16.808   4.482
  187    HA   LYS  25           HA       LYS  25  -9.369 -14.520   3.878
  188    HB2  LYS  25           HB2      LYS  25 -12.095 -15.008   2.622
  189    HB3  LYS  25           HB3      LYS  25 -10.673 -14.257   1.901
  190    HG2  LYS  25           HG2      LYS  25 -11.110 -17.162   2.604
  191    HG3  LYS  25           HG3      LYS  25 -10.969 -16.452   0.993
  192    HD2  LYS  25           HD2      LYS  25  -8.607 -15.823   1.457
  193    HD3  LYS  25           HD3      LYS  25  -8.685 -16.558   3.056
  194    HE2  LYS  25           HE2      LYS  25  -9.058 -18.022   0.435
  195    HE3  LYS  25           HE3      LYS  25  -7.567 -17.953   1.395
  196    HZ1  LYS  25           HZ1      LYS  25  -8.726 -19.107   3.178
  197    HZ2  LYS  25           HZ2      LYS  25 -10.101 -19.204   2.281
  198    HZ3  LYS  25           HZ3      LYS  25  -8.758 -19.988   1.813
  199    H    GLU  26           H        GLU  26 -12.634 -14.659   5.217
  200    HA   GLU  26           HA       GLU  26 -13.216 -11.950   4.703
  201    HB2  GLU  26           HB2      GLU  26 -14.406 -13.829   6.800
  202    HB3  GLU  26           HB3      GLU  26 -15.113 -12.290   6.286
  203    HG2  GLU  26           HG2      GLU  26 -15.288 -13.186   3.948
  204    HG3  GLU  26           HG3      GLU  26 -14.665 -14.736   4.507
  205    H    GLU  27           H        GLU  27 -11.632 -13.669   7.410
  206    HA   GLU  27           HA       GLU  27 -11.645 -11.424   9.254
  207    HB2  GLU  27           HB2      GLU  27  -9.725 -13.772   9.124
  208    HB3  GLU  27           HB3      GLU  27 -10.044 -12.737  10.514
  209    HG2  GLU  27           HG2      GLU  27 -12.247 -13.684  10.794
  210    HG3  GLU  27           HG3      GLU  27 -12.090 -14.621   9.300
  211    H    ARG  28           H        ARG  28  -9.278 -12.928   6.933
  212    HA   ARG  28           HA       ARG  28  -7.163 -11.231   7.818
  213    HB2  ARG  28           HB2      ARG  28  -6.932 -13.459   6.692
  214    HB3  ARG  28           HB3      ARG  28  -7.370 -12.702   5.151
  215    HG2  ARG  28           HG2      ARG  28  -5.402 -11.334   5.164
  216    HG3  ARG  28           HG3      ARG  28  -5.087 -11.644   6.870
  217    HD2  ARG  28           HD2      ARG  28  -5.020 -13.901   4.844
  218    HD3  ARG  28           HD3      ARG  28  -3.615 -12.856   5.134
  219    HE   ARG  28           HE       ARG  28  -4.541 -13.783   7.646
  220   HH11  ARG  28          HH11      ARG  28  -3.077 -15.178   4.694
  221   HH12  ARG  28          HH12      ARG  28  -2.217 -16.394   5.572
  222   HH21  ARG  28          HH21      ARG  28  -3.503 -15.378   8.746
  223   HH22  ARG  28          HH22      ARG  28  -2.433 -16.505   7.963
  224    H    ALA  29           H        ALA  29  -9.516 -10.882   5.131
  225    HA   ALA  29           HA       ALA  29  -8.559  -8.448   4.097
  226    HB1  ALA  29           HB1      ALA  29 -10.375  -9.842   3.105
  227    HB2  ALA  29           HB2      ALA  29 -11.445  -9.383   4.442
  228    HB3  ALA  29           HB3      ALA  29 -10.853  -8.150   3.302
  229    H    MET  30           H        MET  30 -10.883  -9.002   6.844
  230    HA   MET  30           HA       MET  30 -11.181  -6.224   7.428
  231    HB2  MET  30           HB2      MET  30 -11.834  -8.822   8.795
  232    HB3  MET  30           HB3      MET  30 -11.894  -7.338   9.733
  233    HG2  MET  30           HG2      MET  30 -14.040  -8.031   8.776
  234    HG3  MET  30           HG3      MET  30 -13.577  -6.373   8.413
  235    HE1  MET  30           HE1      MET  30 -13.666  -6.155   4.608
  236    HE2  MET  30           HE2      MET  30 -13.541  -5.323   6.173
  237    HE3  MET  30           HE3      MET  30 -12.137  -6.185   5.495
  238    H    GLY  31           H        GLY  31  -8.795  -8.616   8.657
  239    HA2  GLY  31           HA2      GLY  31  -7.694  -7.083  10.749
  240    HA3  GLY  31           HA3      GLY  31  -6.833  -8.273   9.757
  241    H    TRP  32           H        TRP  32  -6.734  -7.299   7.279
  242    HA   TRP  32           HA       TRP  32  -4.865  -5.163   7.324
  243    HB2  TRP  32           HB2      TRP  32  -6.503  -6.478   5.135
  244    HB3  TRP  32           HB3      TRP  32  -5.477  -5.084   4.813
  245    HD1  TRP  32           HD1      TRP  32  -5.241  -8.782   5.141
  246    HE1  TRP  32           HE1      TRP  32  -2.798  -9.546   5.035
  247    HE3  TRP  32           HE3      TRP  32  -2.994  -4.240   5.518
  248    HZ2  TRP  32           HZ2      TRP  32  -0.166  -8.321   5.309
  249    HZ3  TRP  32           HZ3      TRP  32  -0.515  -4.039   5.541
  250    HH2  TRP  32           HH2      TRP  32   0.897  -6.071   5.418
  251    H    TYR  33           H        TYR  33  -8.402  -5.156   6.573
  252    HA   TYR  33           HA       TYR  33  -8.662  -2.526   5.821
  253    HB2  TYR  33           HB2      TYR  33 -10.430  -4.327   5.853
  254    HB3  TYR  33           HB3      TYR  33 -10.672  -4.024   7.559
  255    HD1  TYR  33           HD1      TYR  33 -11.192  -1.355   8.153
  256    HD2  TYR  33           HD2      TYR  33 -11.910  -3.406   4.464
  257    HE1  TYR  33           HE1      TYR  33 -12.785   0.393   7.523
  258    HE2  TYR  33           HE2      TYR  33 -13.614  -1.675   3.795
  259    HH   TYR  33           HH       TYR  33 -14.438   0.445   4.345
  260    H    TYR  34           H        TYR  34  -9.129  -3.707   9.227
  261    HA   TYR  34           HA       TYR  34  -9.755  -1.073  10.115
  262    HB2  TYR  34           HB2      TYR  34 -10.271  -2.041  12.066
  263    HB3  TYR  34           HB3      TYR  34 -10.174  -3.517  11.111
  264    HD1  TYR  34           HD1      TYR  34  -8.270  -5.018  11.302
  265    HD2  TYR  34           HD2      TYR  34  -8.623  -1.542  13.795
  266    HE1  TYR  34           HE1      TYR  34  -6.554  -5.973  12.844
  267    HE2  TYR  34           HE2      TYR  34  -6.928  -2.464  15.357
  268    HH   TYR  34           HH       TYR  34  -5.507  -4.251  15.827
  269    H    TYR  35           H        TYR  35  -6.783  -3.025  10.326
  270    HA   TYR  35           HA       TYR  35  -5.300  -1.078  11.791
  271    HB2  TYR  35           HB2      TYR  35  -4.679  -3.492  11.487
  272    HB3  TYR  35           HB3      TYR  35  -4.293  -3.157   9.799
  273    HD1  TYR  35           HD1      TYR  35  -3.297  -2.525  13.329
  274    HD2  TYR  35           HD2      TYR  35  -2.214  -2.057   9.180
  275    HE1  TYR  35           HE1      TYR  35  -1.019  -1.835  14.003
  276    HE2  TYR  35           HE2      TYR  35   0.066  -1.381   9.837
  277    HH   TYR  35           HH       TYR  35   1.534  -0.990  11.614
  278    H    LEU  36           H        LEU  36  -5.687  -1.483   8.200
  279    HA   LEU  36           HA       LEU  36  -3.809   0.594   7.576
  280    HB2  LEU  36           HB2      LEU  36  -5.910  -0.922   6.045
  281    HB3  LEU  36           HB3      LEU  36  -5.427   0.634   5.425
  282    HG   LEU  36           HG       LEU  36  -3.223   0.069   5.063
  283   HD11  LEU  36          HD11      LEU  36  -2.136  -2.080   5.713
  284   HD12  LEU  36          HD12      LEU  36  -2.475  -1.018   7.066
  285   HD13  LEU  36          HD13      LEU  36  -3.532  -2.416   6.775
  286   HD21  LEU  36          HD21      LEU  36  -4.764  -2.498   4.471
  287   HD22  LEU  36          HD22      LEU  36  -4.887  -1.010   3.521
  288   HD23  LEU  36          HD23      LEU  36  -3.345  -1.881   3.592
  289    H    ASP  37           H        ASP  37  -7.474   0.638   7.974
  290    HA   ASP  37           HA       ASP  37  -7.556   3.469   7.524
  291    HB2  ASP  37           HB2      ASP  37  -9.725   2.277   7.895
  292    HB3  ASP  37           HB3      ASP  37  -9.257   1.918   9.551
  293    H    ASP  38           H        ASP  38  -6.898   1.569  10.578
  294    HA   ASP  38           HA       ASP  38  -7.091   3.991  11.807
  295    HB2  ASP  38           HB2      ASP  38  -7.329   1.893  13.060
  296    HB3  ASP  38           HB3      ASP  38  -5.562   1.866  13.225
  297    H    THR  39           H        THR  39  -4.415   2.704  10.139
  298    HA   THR  39           HA       THR  39  -2.368   4.380  11.421
  299    HB   THR  39           HB       THR  39  -2.358   2.743   8.842
  300    HG1  THR  39           HG1      THR  39  -2.755   1.365  10.512
  301   HG21  THR  39          HG21      THR  39   0.092   2.781   9.148
  302   HG22  THR  39          HG22      THR  39  -0.576   4.429   9.051
  303   HG23  THR  39          HG23      THR  39  -0.103   3.752  10.621
  304    H    LEU  40           H        LEU  40  -4.314   4.363   8.405
  305    HA   LEU  40           HA       LEU  40  -3.215   6.745   7.261
  306    HB2  LEU  40           HB2      LEU  40  -5.892   5.345   6.898
  307    HB3  LEU  40           HB3      LEU  40  -5.277   6.599   5.829
  308    HG   LEU  40           HG       LEU  40  -3.782   3.973   6.271
  309   HD11  LEU  40          HD11      LEU  40  -6.101   3.532   5.372
  310   HD12  LEU  40          HD12      LEU  40  -5.685   4.557   3.976
  311   HD13  LEU  40          HD13      LEU  40  -4.792   3.057   4.286
  312   HD21  LEU  40          HD21      LEU  40  -3.631   6.030   4.048
  313   HD22  LEU  40          HD22      LEU  40  -2.383   5.616   5.253
  314   HD23  LEU  40          HD23      LEU  40  -2.852   4.438   4.037
  315    H    GLU  41           H        GLU  41  -3.929   8.854   7.443
  316    HA   GLU  41           HA       GLU  41  -6.174   9.457   9.316
  317    HB2  GLU  41           HB2      GLU  41  -3.509  10.855   8.945
  318    HB3  GLU  41           HB3      GLU  41  -4.880  11.576   9.799
  319    HG2  GLU  41           HG2      GLU  41  -3.618   8.908  10.558
  320    HG3  GLU  41           HG3      GLU  41  -3.184  10.449  11.279
  321    H    PHE  42           H        PHE  42  -7.270   8.969   7.265
  322    HA   PHE  42           HA       PHE  42  -7.322  10.659   5.029
  323    HB2  PHE  42           HB2      PHE  42  -9.638   9.262   6.421
  324    HB3  PHE  42           HB3      PHE  42  -9.651   9.872   4.787
  325    HD1  PHE  42           HD2      PHE  42  -8.414   8.741   2.962
  326    HD2  PHE  42           HD1      PHE  42  -8.624   7.072   6.948
  327    HE1  PHE  42           HE2      PHE  42  -8.056   6.454   2.051
  328    HE2  PHE  42           HE1      PHE  42  -8.306   4.818   6.006
  329    HZ   PHE  42           HZ       PHE  42  -8.054   4.495   3.560
  330    HA   PRO  43           HA       PRO  43  -8.974  11.637   3.649
  331    HB2  PRO  43           HB2      PRO  43  -9.288  14.108   2.549
  332    HB3  PRO  43           HB3      PRO  43 -10.660  13.154   3.190
  333    HG2  PRO  43           HG2      PRO  43  -9.133  15.378   4.574
  334    HG3  PRO  43           HG3      PRO  43 -10.907  15.158   4.459
  335    HD2  PRO  43           HD2      PRO  43  -9.457  14.362   6.649
  336    HD3  PRO  43           HD3      PRO  43 -10.894  13.458   6.088
  337    H    PHE  44           H        PHE  44  -7.245  11.914   2.119
  338    HA   PHE  44           HA       PHE  44  -5.072  13.771   2.795
  339    HB2  PHE  44           HB2      PHE  44  -3.343  12.191   2.929
  340    HB3  PHE  44           HB3      PHE  44  -4.536  11.708   4.111
  341    HD1  PHE  44           HD1      PHE  44  -2.894  10.875   0.925
  342    HD2  PHE  44           HD2      PHE  44  -5.678   9.504   3.907
  343    HE1  PHE  44           HE1      PHE  44  -2.860   8.630  -0.101
  344    HE2  PHE  44           HE2      PHE  44  -5.580   7.227   2.931
  345    HZ   PHE  44           HZ       PHE  44  -4.200   6.782   0.915
  346    H    MET  45           H        MET  45  -3.439  13.831   0.937
  347    HA   MET  45           HA       MET  45  -4.981  13.618  -1.588
  348    HB2  MET  45           HB2      MET  45  -3.894  15.764  -0.874
  349    HB3  MET  45           HB3      MET  45  -2.319  14.955  -0.909
  350    HG2  MET  45           HG2      MET  45  -2.690  14.478  -3.349
  351    HG3  MET  45           HG3      MET  45  -4.186  15.416  -3.265
  352    HE1  MET  45           HE1      MET  45  -3.300  16.878  -5.301
  353    HE2  MET  45           HE2      MET  45  -1.643  17.526  -5.377
  354    HE3  MET  45           HE3      MET  45  -1.917  15.766  -5.298
  355    H    GLY  46           H        GLY  46  -4.247  12.316  -3.375
  356    HA2  GLY  46           HA2      GLY  46  -1.559  11.195  -3.238
  357    HA3  GLY  46           HA3      GLY  46  -2.861   9.995  -3.161
  358    H    LYS  47           H        LYS  47  -1.193   9.754  -5.156
  359    HA   LYS  47           HA       LYS  47  -2.601  10.827  -7.555
  360    HB2  LYS  47           HB2      LYS  47   0.056  10.853  -7.367
  361    HB3  LYS  47           HB3      LYS  47  -0.071   9.123  -7.603
  362    HG2  LYS  47           HG2      LYS  47   0.242   9.956  -9.783
  363    HG3  LYS  47           HG3      LYS  47  -1.489   9.668  -9.709
  364    HD2  LYS  47           HD2      LYS  47  -1.340  11.813 -10.714
  365    HD3  LYS  47           HD3      LYS  47  -1.710  12.171  -9.043
  366    HE2  LYS  47           HE2      LYS  47  -0.022  13.691  -9.526
  367    HE3  LYS  47           HE3      LYS  47   0.833  12.409  -8.663
  368    HZ1  LYS  47           HZ1      LYS  47   1.475  11.531 -10.931
  369    HZ2  LYS  47           HZ2      LYS  47   0.805  12.874 -11.587
  370    HZ3  LYS  47           HZ3      LYS  47   2.078  13.016 -10.588
  371    H    TRP  48           H        TRP  48  -4.029   9.470  -8.472
  372    HA   TRP  48           HA       TRP  48  -4.206   6.632  -7.633
  373    HB2  TRP  48           HB2      TRP  48  -6.272   8.017  -7.876
  374    HB3  TRP  48           HB3      TRP  48  -5.884   8.300  -9.562
  375    HD1  TRP  48           HD1      TRP  48  -5.108   4.780  -8.926
  376    HE1  TRP  48           HE1      TRP  48  -6.968   3.228  -9.593
  377    HE3  TRP  48           HE3      TRP  48  -8.859   8.235  -9.383
  378    HZ2  TRP  48           HZ2      TRP  48  -9.823   3.422 -10.212
  379    HZ3  TRP  48           HZ3      TRP  48 -11.162   7.505  -9.942
  380    HH2  TRP  48           HH2      TRP  48 -11.651   5.104 -10.360
  381    H    LYS  49           H        LYS  49  -2.560   5.532  -8.557
  382    HA   LYS  49           HA       LYS  49  -1.493   6.130 -11.233
  383    HB2  LYS  49           HB2      LYS  49  -0.601   4.390  -8.877
  384    HB3  LYS  49           HB3      LYS  49   0.203   4.397 -10.447
  385    HG2  LYS  49           HG2      LYS  49   0.775   6.770 -10.213
  386    HG3  LYS  49           HG3      LYS  49  -0.158   6.888  -8.719
  387    HD2  LYS  49           HD2      LYS  49   2.187   6.771  -8.187
  388    HD3  LYS  49           HD3      LYS  49   1.368   5.313  -7.600
  389    HE2  LYS  49           HE2      LYS  49   2.201   4.035  -9.534
  390    HE3  LYS  49           HE3      LYS  49   2.942   5.495 -10.208
  391    HZ1  LYS  49           HZ1      LYS  49   4.414   5.557  -8.278
  392    HZ2  LYS  49           HZ2      LYS  49   3.731   4.205  -7.656
  393    HZ3  LYS  49           HZ3      LYS  49   4.563   4.135  -9.054
  394    H    LYS  50           H        LYS  50  -3.683   5.531 -11.928
  395    HA   LYS  50           HA       LYS  50  -4.865   2.938 -11.440
  396    HB2  LYS  50           HB2      LYS  50  -6.188   4.900 -12.165
  397    HB3  LYS  50           HB3      LYS  50  -5.243   5.014 -13.647
  398    HG2  LYS  50           HG2      LYS  50  -7.351   4.046 -14.196
  399    HG3  LYS  50           HG3      LYS  50  -6.106   2.816 -14.373
  400    HD2  LYS  50           HD2      LYS  50  -6.798   1.823 -12.165
  401    HD3  LYS  50           HD3      LYS  50  -8.028   3.089 -12.037
  402    HE2  LYS  50           HE2      LYS  50  -9.206   1.223 -12.860
  403    HE3  LYS  50           HE3      LYS  50  -8.977   2.282 -14.251
  404    HZ1  LYS  50           HZ1      LYS  50  -7.468  -0.191 -13.638
  405    HZ2  LYS  50           HZ2      LYS  50  -8.483   0.052 -14.884
  406    HZ3  LYS  50           HZ3      LYS  50  -7.033   0.816 -14.849
  407    H    LYS  51           H        LYS  51  -4.239   0.948 -12.319
  408    HA   LYS  51           HA       LYS  51  -2.226   0.706 -14.321
  409    HB2  LYS  51           HB2      LYS  51  -2.964  -1.133 -12.784
  410    HB3  LYS  51           HB3      LYS  51  -4.484  -1.252 -13.692
  411    HG2  LYS  51           HG2      LYS  51  -3.169  -1.783 -15.762
  412    HG3  LYS  51           HG3      LYS  51  -1.673  -1.683 -14.815
  413    HD2  LYS  51           HD2      LYS  51  -2.462  -3.568 -13.392
  414    HD3  LYS  51           HD3      LYS  51  -3.956  -3.659 -14.356
  415    HE2  LYS  51           HE2      LYS  51  -2.579  -4.071 -16.404
  416    HE3  LYS  51           HE3      LYS  51  -1.115  -4.030 -15.411
  417    HZ1  LYS  51           HZ1      LYS  51  -1.828  -6.281 -15.828
  418    HZ2  LYS  51           HZ2      LYS  51  -1.944  -5.981 -14.229
  419    HZ3  LYS  51           HZ3      LYS  51  -3.291  -6.022 -15.156
  420    H    SER  52           H        SER  52  -2.311   1.062 -16.500
  421    HA   SER  52           HA       SER  52  -4.332   2.555 -17.570
  422    HB2  SER  52           HB2      SER  52  -2.327   0.813 -19.058
  423    HB3  SER  52           HB3      SER  52  -3.172   2.238 -19.707
  424    HG   SER  52           HG       SER  52  -1.363   3.108 -18.949
  425    H    ARG  53           H        ARG  53  -5.829   2.284 -19.263
  426    HA   ARG  53           HA       ARG  53  -7.625   0.147 -18.992
  427    HB2  ARG  53           HB2      ARG  53  -8.250   2.375 -19.785
  428    HB3  ARG  53           HB3      ARG  53  -7.230   2.207 -21.209
  429    HG2  ARG  53           HG2      ARG  53  -9.607   1.949 -21.759
  430    HG3  ARG  53           HG3      ARG  53  -8.694   0.499 -22.145
  431    HD2  ARG  53           HD2      ARG  53  -9.522  -0.501 -19.934
  432    HD3  ARG  53           HD3      ARG  53 -10.517   0.940 -19.740
  433    HE   ARG  53           HE       ARG  53 -11.974   0.174 -21.338
  434   HH11  ARG  53          HH21      ARG  53  -9.038  -1.862 -21.490
  435   HH12  ARG  53          HH22      ARG  53  -9.787  -3.073 -22.469
  436   HH21  ARG  53          HH11      ARG  53 -12.926  -1.432 -22.666
  437   HH22  ARG  53          HH12      ARG  53 -12.026  -2.812 -23.167
  438    H    LYS  54           H        LYS  54  -4.770   0.358 -21.041
  439    HA   LYS  54           HA       LYS  54  -5.087  -2.462 -21.704
  440    HB2  LYS  54           HB2      LYS  54  -6.095  -1.191 -23.642
  441    HB3  LYS  54           HB3      LYS  54  -4.553  -0.356 -23.864
  442    HG2  LYS  54           HG2      LYS  54  -3.449  -2.510 -24.376
  443    HG3  LYS  54           HG3      LYS  54  -4.963  -3.378 -24.045
  444    HD2  LYS  54           HD2      LYS  54  -6.056  -2.178 -25.920
  445    HD3  LYS  54           HD3      LYS  54  -4.545  -1.296 -26.239
  446    HE2  LYS  54           HE2      LYS  54  -3.384  -3.452 -26.670
  447    HE3  LYS  54           HE3      LYS  54  -4.885  -4.330 -26.350
  448    HZ1  LYS  54           HZ1      LYS  54  -5.869  -3.210 -28.266
  449    HZ2  LYS  54           HZ2      LYS  54  -4.481  -2.398 -28.562
  450    HZ3  LYS  54           HZ3      LYS  54  -4.529  -4.018 -28.714
  451    H    THR  55           H        THR  55  -2.996  -3.375 -22.055
  452    HA   THR  55           HA       THR  55  -0.837  -3.736 -21.707
  453    HB   THR  55           HB       THR  55  -0.318  -0.741 -21.891
  454    HG1  THR  55           HG1      THR  55  -1.353  -1.403 -23.742
  455   HG21  THR  55          HG21      THR  55   1.485  -3.152 -22.363
  456   HG22  THR  55          HG22      THR  55   1.896  -1.465 -22.745
  457   HG23  THR  55          HG23      THR  55   1.638  -1.941 -21.067
  458    H    SER  56           H        SER  56   0.475  -4.085 -19.923
  459    HA   SER  56           HA       SER  56  -0.483  -3.205 -17.331
  460    HB2  SER  56           HB2      SER  56   1.901  -4.911 -18.155
  461    HB3  SER  56           HB3      SER  56   1.331  -4.666 -16.491
  462    HG   SER  56           HG       SER  56   0.524  -6.595 -17.550
  463    H    THR  57           H        THR  57  -0.214  -0.912 -17.992
  464    HA   THR  57           HA       THR  57   2.312   0.091 -16.893
  465    HB   THR  57           HB       THR  57   2.549   0.144 -19.342
  466    HG1  THR  57           HG1      THR  57   3.701   1.642 -18.304
  467   HG21  THR  57          HG21      THR  57   0.464   2.326 -19.465
  468   HG22  THR  57          HG22      THR  57   1.330   1.540 -20.791
  469   HG23  THR  57          HG23      THR  57   0.097   0.638 -19.896
  470    H    ILE  58           H        ILE  58   1.536   2.842 -16.981
  471    HA   ILE  58           HA       ILE  58  -0.761   2.776 -15.054
  472    HB   ILE  58           HB       ILE  58   2.009   3.966 -14.740
  473   HG12  ILE  58          HG12      ILE  58   1.890   1.529 -14.231
  474   HG13  ILE  58          HG13      ILE  58   2.352   2.524 -12.868
  475   HG21  ILE  58          HG21      ILE  58   1.284   4.716 -12.476
  476   HG22  ILE  58          HG22      ILE  58   0.501   5.578 -13.795
  477   HG23  ILE  58          HG23      ILE  58  -0.397   4.321 -12.930
  478   HD11  ILE  58          HD11      ILE  58   0.800   0.677 -12.275
  479   HD12  ILE  58          HD12      ILE  58   0.161   2.267 -11.844
  480   HD13  ILE  58          HD13      ILE  58  -0.454   1.418 -13.280
  481    H    GLU  59           H        GLU  59  -2.046   4.458 -15.055
  482    HA   GLU  59           HA       GLU  59  -1.517   6.888 -16.695
  483    HB2  GLU  59           HB2      GLU  59  -4.064   5.306 -16.087
  484    HB3  GLU  59           HB3      GLU  59  -4.131   7.013 -16.501
  485    HG2  GLU  59           HG2      GLU  59  -2.833   4.956 -18.325
  486    HG3  GLU  59           HG3      GLU  59  -4.543   5.345 -18.389
  487    H    GLU  60           H        GLU  60  -2.150   8.847 -15.466
  488    HA   GLU  60           HA       GLU  60  -2.233   8.367 -12.515
  489    HB2  GLU  60           HB2      GLU  60  -0.510  10.277 -14.133
  490    HB3  GLU  60           HB3      GLU  60  -0.735  10.366 -12.382
  491    HG2  GLU  60           HG2      GLU  60   0.143   8.057 -12.145
  492    HG3  GLU  60           HG3      GLU  60   0.411   7.991 -13.893
  493    H    LYS  61           H        LYS  61  -3.802   9.401 -11.449
  494    HA   LYS  61           HA       LYS  61  -4.813  12.012 -12.548
  495    HB2  LYS  61           HB2      LYS  61  -6.397   9.712 -11.313
  496    HB3  LYS  61           HB3      LYS  61  -7.034  11.344 -11.534
  497    HG2  LYS  61           HG2      LYS  61  -6.728  11.194 -13.958
  498    HG3  LYS  61           HG3      LYS  61  -6.044   9.569 -13.813
  499    HD2  LYS  61           HD2      LYS  61  -8.868  10.329 -12.953
  500    HD3  LYS  61           HD3      LYS  61  -8.442   9.614 -14.517
  501    HE2  LYS  61           HE2      LYS  61  -7.472   7.632 -13.333
  502    HE3  LYS  61           HE3      LYS  61  -7.985   8.322 -11.788
  503    HZ1  LYS  61           HZ1      LYS  61 -10.290   8.210 -12.610
  504    HZ2  LYS  61           HZ2      LYS  61  -9.787   7.496 -13.993
  505    HZ3  LYS  61           HZ3      LYS  61  -9.599   6.735 -12.559
  506    H    THR  62           H        THR  62  -4.999  13.595 -10.939
  507    HA   THR  62           HA       THR  62  -3.720  12.937  -8.365
  508    HB   THR  62           HB       THR  62  -4.665  15.624  -9.443
  509    HG1  THR  62           HG1      THR  62  -2.662  15.814 -10.351
  510   HG21  THR  62          HG21      THR  62  -2.504  14.829  -7.432
  511   HG22  THR  62          HG22      THR  62  -2.903  16.491  -7.938
  512   HG23  THR  62          HG23      THR  62  -4.085  15.533  -7.028
  513    H    VAL  63           H        VAL  63  -4.924  12.591  -6.484
  514    HA   VAL  63           HA       VAL  63  -7.805  13.259  -6.605
  515    HB   VAL  63           HB       VAL  63  -8.314  11.015  -5.745
  516   HG11  VAL  63          HG11      VAL  63  -8.132   9.768  -7.809
  517   HG12  VAL  63          HG12      VAL  63  -8.516  11.448  -8.177
  518   HG13  VAL  63          HG13      VAL  63  -6.864  10.847  -8.420
  519   HG21  VAL  63          HG21      VAL  63  -5.468  10.208  -6.448
  520   HG22  VAL  63          HG22      VAL  63  -6.079  10.417  -4.794
  521   HG23  VAL  63          HG23      VAL  63  -6.775   9.175  -5.835
  522    H    GLU  64           H        GLU  64  -8.870  13.288  -4.689
  523    HA   GLU  64           HA       GLU  64  -7.236  13.571  -2.197
  524    HB2  GLU  64           HB2      GLU  64  -8.672  15.528  -2.770
  525    HB3  GLU  64           HB3      GLU  64 -10.096  14.478  -2.790
  526    HG2  GLU  64           HG2      GLU  64  -9.766  13.933  -0.406
  527    HG3  GLU  64           HG3      GLU  64  -8.245  14.822  -0.384
  528    H    VAL  65           H        VAL  65  -7.274  11.742  -0.989
  529    HA   VAL  65           HA       VAL  65  -9.115   9.554  -1.659
  530    HB   VAL  65           HB       VAL  65  -6.852   9.509   0.375
  531   HG11  VAL  65          HG11      VAL  65  -8.546   7.637   0.238
  532   HG12  VAL  65          HG12      VAL  65  -8.025   7.342  -1.425
  533   HG13  VAL  65          HG13      VAL  65  -6.877   7.124  -0.087
  534   HG21  VAL  65          HG21      VAL  65  -6.602   9.090  -2.638
  535   HG22  VAL  65          HG22      VAL  65  -5.725  10.269  -1.639
  536   HG23  VAL  65          HG23      VAL  65  -5.403   8.549  -1.446
  537    H    LEU  66           H        LEU  66 -11.037   9.636  -0.658
  538    HA   LEU  66           HA       LEU  66 -11.474  11.449   1.558
  539    HB2  LEU  66           HB2      LEU  66 -13.193   9.630  -0.156
  540    HB3  LEU  66           HB3      LEU  66 -13.856  10.253   1.335
  541    HG   LEU  66           HG       LEU  66 -14.556  11.577  -0.553
  542   HD11  LEU  66          HD11      LEU  66 -14.131  13.782   0.330
  543   HD12  LEU  66          HD12      LEU  66 -14.302  12.651   1.681
  544   HD13  LEU  66          HD13      LEU  66 -12.691  13.231   1.200
  545   HD21  LEU  66          HD21      LEU  66 -12.570  11.308  -2.008
  546   HD22  LEU  66          HD22      LEU  66 -13.062  13.001  -1.827
  547   HD23  LEU  66          HD23      LEU  66 -11.654  12.397  -0.944
  548    H    GLY  67           H        GLY  67 -11.229   7.874   1.287
  549    HA2  GLY  67           HA2      GLY  67 -10.919   7.321   4.024
  550    HA3  GLY  67           HA3      GLY  67 -12.648   7.293   3.653
  551    H    MET  68           H        MET  68 -11.764   4.977   4.375
  552    HA   MET  68           HA       MET  68 -10.887   3.211   2.225
  553    HB2  MET  68           HB2      MET  68 -12.479   2.664   4.776
  554    HB3  MET  68           HB3      MET  68 -11.806   1.416   3.731
  555    HG2  MET  68           HG2      MET  68 -10.090   3.496   5.128
  556    HG3  MET  68           HG3      MET  68 -10.564   1.985   5.881
  557    HE1  MET  68           HE1      MET  68  -9.526  -0.181   5.688
  558    HE2  MET  68           HE2      MET  68 -10.259  -0.385   4.079
  559    HE3  MET  68           HE3      MET  68  -8.537  -0.756   4.336
  560    H    ALA  69           H        ALA  69 -12.268   1.755   1.047
  561    HA   ALA  69           HA       ALA  69 -14.938   2.825   0.402
  562    HB1  ALA  69           HB1      ALA  69 -13.819   0.150  -0.460
  563    HB2  ALA  69           HB2      ALA  69 -15.000   1.165  -1.291
  564    HB3  ALA  69           HB3      ALA  69 -13.307   1.668  -1.243
  565    HA   PRO  70           HA       PRO  70 -17.347   0.409   3.267
  566    HB2  PRO  70           HB2      PRO  70 -18.460  -1.193   0.950
  567    HB3  PRO  70           HB3      PRO  70 -19.336  -0.474   2.340
  568    HG2  PRO  70           HG2      PRO  70 -19.360   0.777  -0.058
  569    HG3  PRO  70           HG3      PRO  70 -19.088   1.736   1.435
  570    HD2  PRO  70           HD2      PRO  70 -17.048   0.723  -0.551
  571    HD3  PRO  70           HD3      PRO  70 -17.162   2.337   0.219
  572    H    ASP  71           H        ASP  71 -17.229  -1.550   4.455
  573    HA   ASP  71           HA       ASP  71 -15.104  -3.388   3.923
  574    HB2  ASP  71           HB2      ASP  71 -15.762  -4.531   5.829
  575    HB3  ASP  71           HB3      ASP  71 -16.191  -2.865   6.184
  576    H    ASP  72           H        ASP  72 -18.424  -3.246   2.865
  577    HA   ASP  72           HA       ASP  72 -18.814  -5.952   2.046
  578    HB2  ASP  72           HB2      ASP  72 -20.644  -4.324   2.232
  579    HB3  ASP  72           HB3      ASP  72 -19.934  -3.347   0.943
  580    H    GLU  73           H        GLU  73 -16.944  -3.315   0.667
  581    HA   GLU  73           HA       GLU  73 -16.383  -4.921  -1.771
  582    HB2  GLU  73           HB2      GLU  73 -15.918  -2.014  -1.054
  583    HB3  GLU  73           HB3      GLU  73 -15.051  -2.792  -2.380
  584    HG2  GLU  73           HG2      GLU  73 -18.089  -2.802  -2.188
  585    HG3  GLU  73           HG3      GLU  73 -17.177  -1.531  -2.992
  586    H    CYS  74           H        CYS  74 -14.737  -3.403   1.160
  587    HA   CYS  74           HA       CYS  74 -12.300  -4.341   0.075
  588    HB2  CYS  74           HB2      CYS  74 -13.002  -3.346   2.783
  589    HB3  CYS  74           HB3      CYS  74 -11.322  -3.537   2.198
  590    HG   CYS  74           HG       CYS  74 -13.767  -1.553   1.193
  591    H    LEU  75           H        LEU  75 -14.510  -6.304   1.086
  592    HA   LEU  75           HA       LEU  75 -13.139  -8.215   2.799
  593    HB2  LEU  75           HB2      LEU  75 -15.689  -8.025   1.219
  594    HB3  LEU  75           HB3      LEU  75 -15.060  -9.646   1.428
  595    HG   LEU  75           HG       LEU  75 -15.420  -7.794   3.810
  596   HD11  LEU  75          HD11      LEU  75 -17.424  -9.783   2.652
  597   HD12  LEU  75          HD12      LEU  75 -17.585  -8.912   4.197
  598   HD13  LEU  75          HD13      LEU  75 -17.588  -8.012   2.672
  599   HD21  LEU  75          HD21      LEU  75 -15.252 -10.830   3.527
  600   HD22  LEU  75          HD22      LEU  75 -13.973  -9.768   4.158
  601   HD23  LEU  75          HD23      LEU  75 -15.489  -9.938   5.046
  602    H    LYS  76           H        LYS  76 -12.966  -7.276  -0.500
  603    HA   LYS  76           HA       LYS  76 -11.940  -9.922  -1.429
  604    HB2  LYS  76           HB2      LYS  76 -13.251  -7.541  -2.799
  605    HB3  LYS  76           HB3      LYS  76 -12.464  -8.827  -3.707
  606    HG2  LYS  76           HG2      LYS  76 -14.031 -10.421  -3.198
  607    HG3  LYS  76           HG3      LYS  76 -14.482  -9.705  -1.656
  608    HD2  LYS  76           HD2      LYS  76 -15.204  -8.350  -4.287
  609    HD3  LYS  76           HD3      LYS  76 -16.206  -9.623  -3.560
  610    HE2  LYS  76           HE2      LYS  76 -16.318  -8.340  -1.439
  611    HE3  LYS  76           HE3      LYS  76 -15.393  -7.029  -2.174
  612    HZ1  LYS  76           HZ1      LYS  76 -17.982  -7.913  -3.296
  613    HZ2  LYS  76           HZ2      LYS  76 -17.867  -6.811  -2.086
  614    HZ3  LYS  76           HZ3      LYS  76 -17.209  -6.461  -3.529
  615    H    ASP  77           H        ASP  77 -11.108  -6.462  -1.147
  616    HA   ASP  77           HA       ASP  77  -8.293  -6.951  -1.459
  617    HB2  ASP  77           HB2      ASP  77  -9.078  -6.987  -3.890
  618    HB3  ASP  77           HB3      ASP  77  -9.666  -5.343  -3.659
  619    H    MET  78           H        MET  78  -7.189  -4.585  -1.295
  620    HA   MET  78           HA       MET  78  -8.873  -3.010   0.592
  621    HB2  MET  78           HB2      MET  78  -5.986  -2.710  -0.300
  622    HB3  MET  78           HB3      MET  78  -6.816  -1.571   0.764
  623    HG2  MET  78           HG2      MET  78  -6.378  -4.515   1.359
  624    HG3  MET  78           HG3      MET  78  -5.433  -3.174   1.992
  625    HE1  MET  78           HE1      MET  78  -7.890  -5.729   2.966
  626    HE2  MET  78           HE2      MET  78  -9.296  -4.910   3.670
  627    HE3  MET  78           HE3      MET  78  -9.035  -4.864   1.918
  628    H    TYR  79           H        TYR  79 -10.020  -1.245  -0.001
  629    HA   TYR  79           HA       TYR  79  -9.352   0.162  -2.527
  630    HB2  TYR  79           HB2      TYR  79 -12.134  -0.646  -1.621
  631    HB3  TYR  79           HB3      TYR  79 -11.766   0.345  -3.010
  632    HD1  TYR  79           HD1      TYR  79 -10.699  -0.703  -5.058
  633    HD2  TYR  79           HD2      TYR  79 -12.192  -3.011  -1.740
  634    HE1  TYR  79           HE1      TYR  79 -10.946  -2.673  -6.541
  635    HE2  TYR  79           HE2      TYR  79 -12.451  -4.980  -3.204
  636    HH   TYR  79           HH       TYR  79 -12.214  -5.825  -5.375
  637    H    VAL  80           H        VAL  80 -10.228   2.303  -2.612
  638    HA   VAL  80           HA       VAL  80 -10.951   3.575  -0.037
  639    HB   VAL  80           HB       VAL  80  -9.239   5.369  -0.649
  640   HG11  VAL  80          HG11      VAL  80  -8.991   3.934   1.299
  641   HG12  VAL  80          HG12      VAL  80  -8.182   2.687   0.320
  642   HG13  VAL  80          HG13      VAL  80  -7.422   4.276   0.567
  643   HG21  VAL  80          HG21      VAL  80  -7.224   4.709  -1.860
  644   HG22  VAL  80          HG22      VAL  80  -7.897   3.102  -2.203
  645   HG23  VAL  80          HG23      VAL  80  -8.628   4.551  -2.925
  646    H    GLU  81           H        GLU  81 -12.057   5.491  -0.295
  647    HA   GLU  81           HA       GLU  81 -13.370   5.910  -2.907
  648    HB2  GLU  81           HB2      GLU  81 -13.671   7.275  -0.194
  649    HB3  GLU  81           HB3      GLU  81 -14.576   7.710  -1.653
  650    HG2  GLU  81           HG2      GLU  81 -15.434   5.337  -1.753
  651    HG3  GLU  81           HG3      GLU  81 -14.671   5.042  -0.189
  652    H    VAL  82           H        VAL  82 -12.847   7.654  -4.245
  653    HA   VAL  82           HA       VAL  82 -10.754   9.561  -3.348
  654    HB   VAL  82           HB       VAL  82  -9.612   9.217  -5.554
  655   HG11  VAL  82          HG11      VAL  82  -8.639   8.338  -3.522
  656   HG12  VAL  82          HG12      VAL  82  -9.562   6.823  -3.685
  657   HG13  VAL  82          HG13      VAL  82  -8.324   7.254  -4.880
  658   HG21  VAL  82          HG21      VAL  82  -9.846   7.145  -6.780
  659   HG22  VAL  82          HG22      VAL  82 -11.172   6.610  -5.725
  660   HG23  VAL  82          HG23      VAL  82 -11.368   8.025  -6.791
  661    H    ALA  83           H        ALA  83 -10.897  11.600  -4.322
  662    HA   ALA  83           HA       ALA  83 -13.088  11.985  -6.327
  663    HB1  ALA  83           HB1      ALA  83 -13.340  14.255  -5.350
  664    HB2  ALA  83           HB2      ALA  83 -13.709  12.984  -4.170
  665    HB3  ALA  83           HB3      ALA  83 -12.152  13.846  -4.094
  666    H    ASP  84           H        ASP  84 -12.434  12.935  -8.192
  667    HA   ASP  84           HA       ASP  84  -9.579  13.221  -8.658
  668    HB2  ASP  84           HB2      ASP  84 -10.888  12.311 -10.449
  669    HB3  ASP  84           HB3      ASP  84 -12.033  13.662 -10.395
  670    H    ILE  85           H        ILE  85  -8.481  14.925  -7.974
  671    HA   ILE  85           HA       ILE  85  -9.696  17.519  -7.490
  672    HB   ILE  85           HB       ILE  85  -6.767  16.736  -7.592
  673   HG12  ILE  85          HG12      ILE  85  -8.607  16.855  -5.151
  674   HG13  ILE  85          HG13      ILE  85  -8.036  15.377  -5.907
  675   HG21  ILE  85          HG21      ILE  85  -7.191  19.213  -7.669
  676   HG22  ILE  85          HG22      ILE  85  -8.116  19.066  -6.156
  677   HG23  ILE  85          HG23      ILE  85  -6.373  18.729  -6.205
  678   HD11  ILE  85          HD11      ILE  85  -5.675  16.030  -5.396
  679   HD12  ILE  85          HD12      ILE  85  -6.302  17.412  -4.462
  680   HD13  ILE  85          HD13      ILE  85  -6.682  15.772  -3.966
  681    H    GLY  86           H        GLY  86  -8.219  15.848 -10.223
  682    HA2  GLY  86           HA2      GLY  86  -7.006  17.942 -11.615
  683    HA3  GLY  86           HA3      GLY  86  -7.665  16.459 -12.320
  684    H    GLY  87           H        GLY  87 -10.433  16.770 -11.885
  685    HA2  GLY  87           HA2      GLY  87 -11.198  19.376 -13.094
  686    HA3  GLY  87           HA3      GLY  87 -11.340  17.887 -14.041
  687    H    LYS  88           H        LYS  88 -12.071  17.481 -10.624
  688    HA   LYS  88           HA       LYS  88 -14.963  18.035 -11.123
  689    HB2  LYS  88           HB2      LYS  88 -13.735  15.400 -10.257
  690    HB3  LYS  88           HB3      LYS  88 -15.345  15.875  -9.700
  691    HG2  LYS  88           HG2      LYS  88 -16.152  16.126 -11.972
  692    HG3  LYS  88           HG3      LYS  88 -14.557  15.739 -12.643
  693    HD2  LYS  88           HD2      LYS  88 -14.671  13.480 -11.974
  694    HD3  LYS  88           HD3      LYS  88 -15.955  13.782 -10.804
  695    HE2  LYS  88           HE2      LYS  88 -17.473  14.434 -12.730
  696    HE3  LYS  88           HE3      LYS  88 -16.214  13.871 -13.839
  697    HZ1  LYS  88           HZ1      LYS  88 -16.420  11.676 -12.838
  698    HZ2  LYS  88           HZ2      LYS  88 -17.562  12.206 -11.777
  699    HZ3  LYS  88           HZ3      LYS  88 -17.885  12.168 -13.389
  700    H    ASP  89           H        ASP  89 -12.839  16.808  -8.497
  701    HA   ASP  89           HA       ASP  89 -12.823  17.181  -6.297
  702    HB2  ASP  89           HB2      ASP  89 -11.538  19.071  -7.263
  703    HB3  ASP  89           HB3      ASP  89 -12.979  20.081  -7.154
  704    H    ASP  90           H        ASP  90 -15.584  16.943  -7.484
  705    HA   ASP  90           HA       ASP  90 -17.180  17.816  -5.152
  706    HB2  ASP  90           HB2      ASP  90 -17.129  19.703  -6.815
  707    HB3  ASP  90           HB3      ASP  90 -17.816  18.618  -8.023
  708    H    ASP  91           H        ASP  91 -16.262  15.270  -6.787
  709    HA   ASP  91           HA       ASP  91 -18.715  13.750  -6.546
  710    HB2  ASP  91           HB2      ASP  91 -19.029  14.555  -8.824
  711    HB3  ASP  91           HB3      ASP  91 -17.358  14.184  -9.227
  712    H    VAL  92           H        VAL  92 -18.086  11.376  -6.688
  713    HA   VAL  92           HA       VAL  92 -15.216  10.995  -6.009
  714    HB   VAL  92           HB       VAL  92 -17.451   9.911  -4.286
  715   HG11  VAL  92          HG11      VAL  92 -14.540  10.527  -3.629
  716   HG12  VAL  92          HG12      VAL  92 -15.729   9.788  -2.540
  717   HG13  VAL  92          HG13      VAL  92 -15.200   8.911  -3.970
  718   HG21  VAL  92          HG21      VAL  92 -17.806  12.310  -4.083
  719   HG22  VAL  92          HG22      VAL  92 -17.017  11.733  -2.625
  720   HG23  VAL  92          HG23      VAL  92 -16.064  12.589  -3.854
  721    H    TYR  93           H        TYR  93 -14.500   8.906  -6.173
  722    HA   TYR  93           HA       TYR  93 -16.131   6.812  -7.516
  723    HB2  TYR  93           HB2      TYR  93 -13.188   7.382  -8.016
  724    HB3  TYR  93           HB3      TYR  93 -14.212   6.267  -8.884
  725    HD1  TYR  93           HD1      TYR  93 -16.143   7.256 -10.327
  726    HD2  TYR  93           HD2      TYR  93 -12.759   9.515  -8.884
  727    HE1  TYR  93           HE1      TYR  93 -16.348   8.792 -12.261
  728    HE2  TYR  93           HE2      TYR  93 -12.941  11.040 -10.824
  729    HH   TYR  93           HH       TYR  93 -13.968  11.408 -12.883
  730    H    THR  94           H        THR  94 -14.375   4.817  -7.486
  731    HA   THR  94           HA       THR  94 -13.119   4.586  -4.790
  732    HB   THR  94           HB       THR  94 -14.634   2.317  -6.132
  733    HG1  THR  94           HG1      THR  94 -16.093   3.903  -5.456
  734   HG21  THR  94          HG21      THR  94 -12.890   1.572  -4.596
  735   HG22  THR  94          HG22      THR  94 -13.493   2.670  -3.332
  736   HG23  THR  94          HG23      THR  94 -14.479   1.289  -3.874
  737    H    ALA  95           H        ALA  95 -11.148   3.628  -4.832
  738    HA   ALA  95           HA       ALA  95 -10.038   2.595  -7.401
  739    HB1  ALA  95           HB1      ALA  95  -9.300   4.932  -7.101
  740    HB2  ALA  95           HB2      ALA  95  -8.773   4.579  -5.441
  741    HB3  ALA  95           HB3      ALA  95  -7.939   3.829  -6.813
  742    H    LYS  96           H        LYS  96  -8.182   1.150  -7.004
  743    HA   LYS  96           HA       LYS  96  -8.380  -0.453  -4.549
  744    HB2  LYS  96           HB2      LYS  96  -6.440  -0.433  -6.912
  745    HB3  LYS  96           HB3      LYS  96  -6.353  -1.561  -5.557
  746    HG2  LYS  96           HG2      LYS  96  -8.414  -2.600  -6.104
  747    HG3  LYS  96           HG3      LYS  96  -8.842  -1.373  -7.306
  748    HD2  LYS  96           HD2      LYS  96  -6.309  -3.024  -7.568
  749    HD3  LYS  96           HD3      LYS  96  -7.866  -3.649  -8.134
  750    HE2  LYS  96           HE2      LYS  96  -8.094  -2.081  -9.824
  751    HE3  LYS  96           HE3      LYS  96  -7.073  -0.884  -9.021
  752    HZ1  LYS  96           HZ1      LYS  96  -5.149  -2.019  -9.617
  753    HZ2  LYS  96           HZ2      LYS  96  -5.958  -3.364 -10.176
  754    HZ3  LYS  96           HZ3      LYS  96  -6.034  -1.929 -10.971
  755    H    LEU  97           H        LEU  97  -6.995  -0.203  -2.819
  756    HA   LEU  97           HA       LEU  97  -5.362   2.147  -2.504
  757    HB2  LEU  97           HB2      LEU  97  -6.265   0.790  -0.607
  758    HB3  LEU  97           HB3      LEU  97  -5.209  -0.545  -1.084
  759    HG   LEU  97           HG       LEU  97  -3.206   0.848  -0.597
  760   HD11  LEU  97          HD11      LEU  97  -3.524   2.973   0.707
  761   HD12  LEU  97          HD12      LEU  97  -4.035   3.119  -0.973
  762   HD13  LEU  97          HD13      LEU  97  -5.252   2.929   0.313
  763   HD21  LEU  97          HD21      LEU  97  -5.204   0.719   1.694
  764   HD22  LEU  97          HD22      LEU  97  -4.175  -0.617   1.126
  765   HD23  LEU  97          HD23      LEU  97  -3.434   0.821   1.840
  766    H    SER  98           H        SER  98  -4.863  -1.082  -3.851
  767    HA   SER  98           HA       SER  98  -2.072  -1.153  -4.142
  768    HB2  SER  98           HB2      SER  98  -4.206  -2.298  -5.989
  769    HB3  SER  98           HB3      SER  98  -2.582  -2.933  -5.720
  770    HG   SER  98           HG       SER  98  -4.194  -4.042  -4.482
  771    H    ASP  99           H        ASP  99  -4.319   0.960  -5.734
  772    HA   ASP  99           HA       ASP  99  -2.405   1.502  -7.963
  773    HB2  ASP  99           HB2      ASP  99  -5.441   1.585  -7.864
  774    HB3  ASP  99           HB3      ASP  99  -4.527   2.504  -9.044
  775    H    ILE 100           H        ILE 100  -2.841   2.562  -4.981
  776    HA   ILE 100           HA       ILE 100  -2.894   5.452  -5.718
  777    HB   ILE 100           HB       ILE 100  -4.130   3.915  -3.458
  778   HG12  ILE 100          HG12      ILE 100  -5.227   4.806  -5.621
  779   HG13  ILE 100          HG13      ILE 100  -6.071   5.010  -4.080
  780   HG21  ILE 100          HG21      ILE 100  -4.505   5.968  -2.125
  781   HG22  ILE 100          HG22      ILE 100  -2.821   5.446  -2.131
  782   HG23  ILE 100          HG23      ILE 100  -3.316   6.835  -3.123
  783   HD11  ILE 100          HD11      ILE 100  -6.159   6.939  -5.665
  784   HD12  ILE 100          HD12      ILE 100  -5.599   7.337  -4.030
  785   HD13  ILE 100          HD13      ILE 100  -4.429   7.206  -5.366
  786    H    GLU 101           H        GLU 101  -1.474   6.739  -4.873
  787    HA   GLU 101           HA       GLU 101   0.503   5.776  -2.911
  788    HB2  GLU 101           HB2      GLU 101   1.630   5.489  -5.079
  789    HB3  GLU 101           HB3      GLU 101   1.197   7.135  -5.555
  790    HG2  GLU 101           HG2      GLU 101   3.538   6.999  -4.877
  791    HG3  GLU 101           HG3      GLU 101   2.643   8.067  -3.813
  792    H    ALA 102           H        ALA 102   0.998   7.476  -1.431
  793    HA   ALA 102           HA       ALA 102  -0.941   9.696  -1.491
  794    HB1  ALA 102           HB1      ALA 102   0.124  10.295   0.683
  795    HB2  ALA 102           HB2      ALA 102  -0.650   8.735   0.677
  796    HB3  ALA 102           HB3      ALA 102   1.132   8.834   0.555
  797    H    ILE 103           H        ILE 103  -0.362  11.872  -1.284
  798    HA   ILE 103           HA       ILE 103   2.407  12.640  -2.113
  799    HB   ILE 103           HB       ILE 103  -0.271  13.924  -2.771
  800   HG12  ILE 103          HG12      ILE 103   1.735  12.759  -4.756
  801   HG13  ILE 103          HG13      ILE 103   0.387  11.826  -4.131
  802   HG21  ILE 103          HG21      ILE 103   1.015  15.556  -4.117
  803   HG22  ILE 103          HG22      ILE 103   1.491  15.635  -2.428
  804   HG23  ILE 103          HG23      ILE 103   2.535  14.796  -3.594
  805   HD11  ILE 103          HD11      ILE 103   0.162  14.351  -5.800
  806   HD12  ILE 103          HD12      ILE 103  -0.293  12.699  -6.234
  807   HD13  ILE 103          HD13      ILE 103  -1.208  13.548  -4.989
  808    H    ASP 104           H        ASP 104   3.416  13.914  -0.749
  809    HA   ASP 104           HA       ASP 104   3.969  15.052   1.097
  810    HB2  ASP 104           HB2      ASP 104   3.184  16.727  -0.519
  811    HB3  ASP 104           HB3      ASP 104   1.583  16.695   0.220
  812    H    VAL 105           H        VAL 105   2.627  12.813   1.944
  813    HA   VAL 105           HA       VAL 105   0.722  13.737   4.020
  814    HB   VAL 105           HB       VAL 105   0.219  11.976   2.190
  815   HG11  VAL 105          HG11      VAL 105   2.103  10.441   2.513
  816   HG12  VAL 105          HG12      VAL 105   1.596  10.159   4.182
  817   HG13  VAL 105          HG13      VAL 105   0.561   9.630   2.883
  818   HG21  VAL 105          HG21      VAL 105  -0.601  11.399   5.030
  819   HG22  VAL 105          HG22      VAL 105  -1.273  12.668   3.991
  820   HG23  VAL 105          HG23      VAL 105  -1.430  10.977   3.512
  821    H    ASP 106           H        ASP 106   0.743  12.208   6.060
  822    HA   ASP 106           HA       ASP 106   3.223  12.706   7.434
  823    HB2  ASP 106           HB2      ASP 106   0.864  12.656   8.455
  824    HB3  ASP 106           HB3      ASP 106   0.979  10.887   8.324
  825    H    ASP 107           H        ASP 107   4.209  10.913   8.727
  826    HA   ASP 107           HA       ASP 107   5.448   8.984   6.937
  827    HB2  ASP 107           HB2      ASP 107   6.699   9.990   8.784
  828    HB3  ASP 107           HB3      ASP 107   5.549   9.341   9.957
  829    H    ASP 108           H        ASP 108   2.899   8.854   9.493
  830    HA   ASP 108           HA       ASP 108   2.884   5.986   9.535
  831    HB2  ASP 108           HB2      ASP 108   1.854   7.916  11.172
  832    HB3  ASP 108           HB3      ASP 108   0.389   7.452  10.301
  833    H    THR 109           H        THR 109   0.692   8.394   7.936
  834    HA   THR 109           HA       THR 109  -0.952   6.563   6.589
  835    HB   THR 109           HB       THR 109  -0.049   9.328   5.641
  836    HG1  THR 109           HG1      THR 109  -1.532  10.130   7.047
  837   HG21  THR 109          HG21      THR 109  -2.674   7.827   5.249
  838   HG22  THR 109          HG22      THR 109  -2.388   9.487   4.789
  839   HG23  THR 109          HG23      THR 109  -1.475   8.201   3.979
  840    H    GLN 110           H        GLN 110   2.188   8.043   5.566
  841    HA   GLN 110           HA       GLN 110   2.160   6.820   3.017
  842    HB2  GLN 110           HB2      GLN 110   3.523   8.795   3.665
  843    HB3  GLN 110           HB3      GLN 110   4.517   7.767   4.696
  844    HG2  GLN 110           HG2      GLN 110   5.593   8.246   2.568
  845    HG3  GLN 110           HG3      GLN 110   5.287   6.512   2.740
  846   HE21  GLN 110          HE22      GLN 110   3.638   5.518   1.377
  847   HE22  GLN 110          HE21      GLN 110   3.169   6.317  -0.133
  848    H    GLU 111           H        GLU 111   3.434   5.658   6.182
  849    HA   GLU 111           HA       GLU 111   4.748   3.356   5.133
  850    HB2  GLU 111           HB2      GLU 111   3.717   4.205   7.847
  851    HB3  GLU 111           HB3      GLU 111   4.139   2.519   7.616
  852    HG2  GLU 111           HG2      GLU 111   5.992   4.845   7.012
  853    HG3  GLU 111           HG3      GLU 111   5.995   3.914   8.514
  854    H    ALA 112           H        ALA 112   1.360   3.822   6.270
  855    HA   ALA 112           HA       ALA 112   0.596   1.089   6.107
  856    HB1  ALA 112           HB1      ALA 112  -1.705   1.975   5.815
  857    HB2  ALA 112           HB2      ALA 112  -0.829   2.851   7.081
  858    HB3  ALA 112           HB3      ALA 112  -1.035   3.589   5.488
  859    H    ILE 113           H        ILE 113   0.689   3.640   3.630
  860    HA   ILE 113           HA       ILE 113  -0.469   2.080   1.513
  861    HB   ILE 113           HB       ILE 113   1.251   4.576   1.565
  862   HG12  ILE 113          HG12      ILE 113  -1.736   4.434   1.005
  863   HG13  ILE 113          HG13      ILE 113  -1.130   4.504   2.656
  864   HG21  ILE 113          HG21      ILE 113  -0.273   3.375  -0.782
  865   HG22  ILE 113          HG22      ILE 113   0.414   5.013  -0.746
  866   HG23  ILE 113          HG23      ILE 113   1.486   3.622  -0.638
  867   HD11  ILE 113          HD11      ILE 113  -0.711   6.562   0.512
  868   HD12  ILE 113          HD12      ILE 113  -1.583   6.727   2.062
  869   HD13  ILE 113          HD13      ILE 113   0.182   6.560   2.057
  870    H    ALA 114           H        ALA 114   2.941   3.010   2.252
  871    HA   ALA 114           HA       ALA 114   4.150   1.610   0.137
  872    HB1  ALA 114           HB1      ALA 114   6.208   1.786   1.476
  873    HB2  ALA 114           HB2      ALA 114   5.305   3.311   1.510
  874    HB3  ALA 114           HB3      ALA 114   5.261   2.217   2.914
  875    H    ASP 115           H        ASP 115   3.366   0.526   3.467
  876    HA   ASP 115           HA       ASP 115   4.524  -2.042   3.354
  877    HB2  ASP 115           HB2      ASP 115   3.702  -0.832   5.375
  878    HB3  ASP 115           HB3      ASP 115   2.041  -1.171   4.880
  879    H    TRP 116           H        TRP 116   1.251  -0.906   2.413
  880    HA   TRP 116           HA       TRP 116   0.279  -3.510   1.676
  881    HB2  TRP 116           HB2      TRP 116  -1.209  -1.609   2.202
  882    HB3  TRP 116           HB3      TRP 116  -0.643  -0.756   0.765
  883    HD1  TRP 116           HD1      TRP 116  -1.835  -1.298  -1.456
  884    HE1  TRP 116           HE1      TRP 116  -3.439  -3.078  -2.335
  885    HE3  TRP 116           HE3      TRP 116  -2.111  -4.237   2.731
  886    HZ2  TRP 116           HZ2      TRP 116  -4.789  -5.410  -1.284
  887    HZ3  TRP 116           HZ3      TRP 116  -3.553  -6.253   2.742
  888    HH2  TRP 116           HH2      TRP 116  -4.903  -6.847   0.746
  889    H    LEU 117           H        LEU 117   2.017  -0.913  -0.117
  890    HA   LEU 117           HA       LEU 117   1.774  -2.214  -2.666
  891    HB2  LEU 117           HB2      LEU 117   3.753  -0.148  -1.650
  892    HB3  LEU 117           HB3      LEU 117   3.695  -0.714  -3.314
  893    HG   LEU 117           HG       LEU 117   1.355   0.651  -1.905
  894   HD11  LEU 117          HD11      LEU 117   3.259   2.180  -2.177
  895   HD12  LEU 117          HD12      LEU 117   3.347   1.782  -3.908
  896   HD13  LEU 117          HD13      LEU 117   1.922   2.619  -3.247
  897   HD21  LEU 117          HD21      LEU 117   0.451   0.930  -4.195
  898   HD22  LEU 117          HD22      LEU 117   1.759  -0.095  -4.826
  899   HD23  LEU 117          HD23      LEU 117   0.544  -0.759  -3.708
  900    H    TYR 118           H        TYR 118   4.152  -2.587   0.004
  901    HA   TYR 118           HA       TYR 118   5.901  -4.320  -1.484
  902    HB2  TYR 118           HB2      TYR 118   5.304  -4.441   1.491
  903    HB3  TYR 118           HB3      TYR 118   6.700  -5.101   0.675
  904    HD1  TYR 118           HD2      TYR 118   7.298  -2.586  -1.126
  905    HD2  TYR 118           HD1      TYR 118   6.453  -3.109   3.077
  906    HE1  TYR 118           HE2      TYR 118   8.472  -0.478  -0.634
  907    HE2  TYR 118           HE1      TYR 118   7.565  -0.956   3.567
  908    HH   TYR 118           HH       TYR 118   9.126   1.038   1.015
  909    H    TRP 119           H        TRP 119   3.066  -4.992   0.635
  910    HA   TRP 119           HA       TRP 119   2.959  -7.801   0.291
  911    HB2  TRP 119           HB2      TRP 119   1.686  -6.872   2.009
  912    HB3  TRP 119           HB3      TRP 119   1.026  -5.606   1.006
  913    HD1  TRP 119           HD1      TRP 119  -0.885  -6.328  -0.804
  914    HE1  TRP 119           HE1      TRP 119  -2.792  -7.982  -0.570
  915    HE3  TRP 119           HE3      TRP 119   0.884  -9.037   3.165
  916    HZ2  TRP 119           HZ2      TRP 119  -3.585 -10.081   1.236
  917    HZ3  TRP 119           HZ3      TRP 119  -0.522 -10.805   4.188
  918    HH2  TRP 119           HH2      TRP 119  -2.772 -11.322   3.251
  919    H    LEU 120           H        LEU 120   1.514  -5.196  -1.742
  920    HA   LEU 120           HA       LEU 120   0.197  -6.832  -3.602
  921    HB2  LEU 120           HB2      LEU 120  -0.148  -4.431  -3.413
  922    HB3  LEU 120           HB3      LEU 120   1.538  -4.121  -3.786
  923    HG   LEU 120           HG       LEU 120   1.190  -4.968  -6.116
  924   HD11  LEU 120          HD11      LEU 120  -0.748  -6.372  -5.926
  925   HD12  LEU 120          HD12      LEU 120  -1.722  -5.055  -5.205
  926   HD13  LEU 120          HD13      LEU 120  -1.219  -4.991  -6.910
  927   HD21  LEU 120          HD21      LEU 120   1.218  -2.604  -5.620
  928   HD22  LEU 120          HD22      LEU 120  -0.059  -2.908  -6.805
  929   HD23  LEU 120          HD23      LEU 120  -0.473  -2.639  -5.094
  930    H    ALA 121           H        ALA 121   3.548  -5.460  -3.763
  931    HA   ALA 121           HA       ALA 121   4.266  -6.746  -6.185
  932    HB1  ALA 121           HB1      ALA 121   6.025  -5.892  -3.842
  933    HB2  ALA 121           HB2      ALA 121   6.581  -6.240  -5.492
  934    HB3  ALA 121           HB3      ALA 121   5.512  -4.855  -5.194
  935    H    ARG 122           H        ARG 122   4.353  -7.889  -2.826
  936    HA   ARG 122           HA       ARG 122   5.917 -10.237  -3.342
  937    HB2  ARG 122           HB2      ARG 122   5.517  -8.923  -1.159
  938    HB3  ARG 122           HB3      ARG 122   3.991  -9.796  -1.035
  939    HG2  ARG 122           HG2      ARG 122   5.217 -11.935  -0.899
  940    HG3  ARG 122           HG3      ARG 122   6.740 -11.113  -1.293
  941    HD2  ARG 122           HD2      ARG 122   6.609 -11.522   1.111
  942    HD3  ARG 122           HD3      ARG 122   6.581  -9.782   0.779
  943    HE   ARG 122           HE       ARG 122   3.910 -10.755   0.898
  944   HH11  ARG 122          HH21      ARG 122   6.701 -10.136   3.064
  945   HH12  ARG 122          HH22      ARG 122   5.674 -10.198   4.494
  946   HH21  ARG 122          HH11      ARG 122   2.642 -10.640   2.873
  947   HH22  ARG 122          HH12      ARG 122   3.522 -10.594   4.392
  948    H    GLY 123           H        GLY 123   2.535  -9.561  -3.921
  949    HA2  GLY 123           HA2      GLY 123   1.142 -10.930  -5.152
  950    HA3  GLY 123           HA3      GLY 123   2.204 -12.314  -4.888
  951    H    TYR 124           H        TYR 124   0.859 -10.242  -2.318
  952    HA   TYR 124           HA       TYR 124  -0.545 -10.475  -0.634
  953    HB2  TYR 124           HB2      TYR 124  -1.885 -11.849  -2.926
  954    HB3  TYR 124           HB3      TYR 124  -2.700 -11.810  -1.382
  955    HD1  TYR 124           HD1      TYR 124  -0.843  -9.322  -3.571
  956    HD2  TYR 124           HD2      TYR 124  -4.374 -10.216  -1.244
  957    HE1  TYR 124           HE1      TYR 124  -1.847  -7.196  -4.248
  958    HE2  TYR 124           HE2      TYR 124  -5.352  -8.058  -1.890
  959    HH   TYR 124           HH       TYR 124  -5.107  -6.116  -3.264
  960    H    LYS 125           H        LYS 125  -1.881 -11.833   0.818
  961    HA   LYS 125           HA       LYS 125  -1.186 -14.706   0.956
  962    HB2  LYS 125           HB2      LYS 125  -1.052 -13.032   3.489
  963    HB3  LYS 125           HB3      LYS 125  -0.694 -14.738   3.284
  964    HG2  LYS 125           HG2      LYS 125   1.251 -14.152   1.845
  965    HG3  LYS 125           HG3      LYS 125   0.889 -12.439   2.105
  966    HD2  LYS 125           HD2      LYS 125   2.685 -13.082   3.595
  967    HD3  LYS 125           HD3      LYS 125   1.238 -12.749   4.560
  968    HE2  LYS 125           HE2      LYS 125   0.824 -15.257   4.631
  969    HE3  LYS 125           HE3      LYS 125   2.348 -15.480   3.763
  970    HZ1  LYS 125           HZ1      LYS 125   2.729 -15.731   6.094
  971    HZ2  LYS 125           HZ2      LYS 125   3.453 -14.325   5.655
  972    HZ3  LYS 125           HZ3      LYS 125   2.029 -14.303   6.460
  973    H    PHE 126           H        PHE 126  -3.579 -12.829   0.385
  974    HA   PHE 126           HA       PHE 126  -5.455 -14.687   1.517
  975    HB2  PHE 126           HB2      PHE 126  -6.847 -13.400   2.710
  976    HB3  PHE 126           HB3      PHE 126  -5.339 -12.618   3.112
  977    HD1  PHE 126           HD1      PHE 126  -8.383 -12.320   0.956
  978    HD2  PHE 126           HD2      PHE 126  -5.141 -10.263   2.916
  979    HE1  PHE 126           HE1      PHE 126  -9.474 -10.149   0.493
  980    HE2  PHE 126           HE2      PHE 126  -6.232  -8.096   2.450
  981    HZ   PHE 126           HZ       PHE 126  -8.394  -8.023   1.210
  Start of MODEL   10
    1    H1   MET   1           H1       MET   1   8.343 -15.263  -5.348
    2    H2   MET   1           H2       MET   1   9.360 -15.136  -6.619
    3    H3   MET   1           H3       MET   1   9.395 -16.477  -5.671
    4    HA   MET   1           HA       MET   1  10.133 -15.193  -3.791
    5    HB2  MET   1           HB2      MET   1  11.825 -16.272  -5.244
    6    HB3  MET   1           HB3      MET   1  11.901 -14.823  -6.254
    7    HG2  MET   1           HG2      MET   1  13.768 -14.947  -4.663
    8    HG3  MET   1           HG3      MET   1  12.782 -13.518  -4.388
    9    HE1  MET   1           HE1      MET   1  14.025 -14.236  -0.784
   10    HE2  MET   1           HE2      MET   1  14.920 -14.359  -2.315
   11    HE3  MET   1           HE3      MET   1  13.785 -13.015  -2.051
   12    H    ALA   2           H        ALA   2  10.406 -13.203  -2.791
   13    HA   ALA   2           HA       ALA   2  10.423 -10.719  -4.321
   14    HB1  ALA   2           HB1      ALA   2   8.254 -11.311  -2.263
   15    HB2  ALA   2           HB2      ALA   2   8.547  -9.748  -3.062
   16    HB3  ALA   2           HB3      ALA   2   7.993 -11.132  -4.013
   17    H    SER   3           H        SER   3  11.243  -8.995  -2.956
   18    HA   SER   3           HA       SER   3  12.416  -9.841  -0.347
   19    HB2  SER   3           HB2      SER   3  13.816  -8.252  -2.535
   20    HB3  SER   3           HB3      SER   3  14.529  -8.858  -1.030
   21    HG   SER   3           HG       SER   3  15.017 -10.174  -2.849
   22    H    VAL   4           H        VAL   4  10.070  -8.130  -1.156
   23    HA   VAL   4           HA       VAL   4  10.666  -5.388  -0.537
   24    HB   VAL   4           HB       VAL   4   8.112  -5.315  -0.412
   25   HG11  VAL   4          HG11      VAL   4   7.798  -5.586  -2.820
   26   HG12  VAL   4          HG12      VAL   4   9.325  -4.760  -2.468
   27   HG13  VAL   4          HG13      VAL   4   9.323  -6.481  -2.947
   28   HG21  VAL   4          HG21      VAL   4   8.275  -8.202  -1.340
   29   HG22  VAL   4          HG22      VAL   4   7.685  -7.627   0.239
   30   HG23  VAL   4          HG23      VAL   4   6.851  -7.175  -1.257
   31    H    GLU   5           H        GLU   5  10.274  -8.149   1.502
   32    HA   GLU   5           HA       GLU   5   9.263  -6.811   3.853
   33    HB2  GLU   5           HB2      GLU   5  10.096  -8.876   5.014
   34    HB3  GLU   5           HB3      GLU   5   8.883  -9.101   3.760
   35    HG2  GLU   5           HG2      GLU   5  10.594  -9.884   2.168
   36    HG3  GLU   5           HG3      GLU   5  11.853  -9.666   3.378
   37    H    ARG   6           H        ARG   6  10.530  -4.881   3.746
   38    HA   ARG   6           HA       ARG   6  13.249  -4.771   3.554
   39    HB2  ARG   6           HB2      ARG   6  13.151  -2.535   3.937
   40    HB3  ARG   6           HB3      ARG   6  11.513  -2.873   3.424
   41    HG2  ARG   6           HG2      ARG   6  12.468  -2.383   6.286
   42    HG3  ARG   6           HG3      ARG   6  11.656  -1.228   5.244
   43    HD2  ARG   6           HD2      ARG   6   9.603  -2.612   5.256
   44    HD3  ARG   6           HD3      ARG   6  10.393  -3.785   6.312
   45    HE   ARG   6           HE       ARG   6  10.435  -2.293   8.086
   46   HH11  ARG   6          HH11      ARG   6   8.800  -0.701   5.300
   47   HH12  ARG   6          HH12      ARG   6   7.990   0.445   6.337
   48   HH21  ARG   6          HH21      ARG   6   9.322  -0.753   9.352
   49   HH22  ARG   6          HH22      ARG   6   8.174   0.322   8.611
   50    H    ASP   7           H        ASP   7  11.530  -5.562   6.503
   51    HA   ASP   7           HA       ASP   7  13.958  -6.391   7.790
   52    HB2  ASP   7           HB2      ASP   7  14.004  -3.946   8.360
   53    HB3  ASP   7           HB3      ASP   7  12.378  -4.084   9.027
   54    H    GLU   8           H        GLU   8  13.397  -7.723   9.650
   55    HA   GLU   8           HA       GLU   8  11.010  -9.197   9.447
   56    HB2  GLU   8           HB2      GLU   8  12.977  -8.915  11.756
   57    HB3  GLU   8           HB3      GLU   8  11.698 -10.134  11.666
   58    HG2  GLU   8           HG2      GLU   8  12.680 -11.005   9.548
   59    HG3  GLU   8           HG3      GLU   8  13.999  -9.841   9.688
   60    H    THR   9           H        THR   9  11.542  -6.134  11.046
   61    HA   THR   9           HA       THR   9   9.538  -5.923  12.947
   62    HB   THR   9           HB       THR   9  10.506  -4.113  10.721
   63    HG1  THR   9           HG1      THR   9  12.041  -4.489  12.123
   64   HG21  THR   9          HG21      THR   9   9.627  -2.174  12.035
   65   HG22  THR   9          HG22      THR   9   8.401  -3.135  11.212
   66   HG23  THR   9          HG23      THR   9   8.636  -3.324  12.973
   67    H    ARG  10           H        ARG  10   9.091  -5.841   9.333
   68    HA   ARG  10           HA       ARG  10   6.251  -5.265   9.693
   69    HB2  ARG  10           HB2      ARG  10   8.042  -5.794   7.305
   70    HB3  ARG  10           HB3      ARG  10   6.287  -5.805   7.112
   71    HG2  ARG  10           HG2      ARG  10   7.671  -3.490   8.518
   72    HG3  ARG  10           HG3      ARG  10   7.556  -3.548   6.758
   73    HD2  ARG  10           HD2      ARG  10   5.291  -3.267   6.707
   74    HD3  ARG  10           HD3      ARG  10   5.021  -4.023   8.283
   75    HE   ARG  10           HE       ARG  10   6.374  -1.393   8.248
   76   HH11  ARG  10          HH11      ARG  10   3.172  -2.988   8.556
   77   HH12  ARG  10          HH12      ARG  10   2.641  -1.887   9.790
   78   HH21  ARG  10          HH21      ARG  10   5.473   0.219   9.548
   79   HH22  ARG  10          HH22      ARG  10   3.912  -0.002  10.290
   80    H    GLU  11           H        GLU  11   8.162  -8.220   8.985
   81    HA   GLU  11           HA       GLU  11   5.955  -9.952   8.648
   82    HB2  GLU  11           HB2      GLU  11   8.624 -10.605   9.991
   83    HB3  GLU  11           HB3      GLU  11   7.488 -11.751   9.288
   84    HG2  GLU  11           HG2      GLU  11   9.165  -9.682   7.820
   85    HG3  GLU  11           HG3      GLU  11   9.325 -11.436   7.757
   86    H    HIS  12           H        HIS  12   7.657  -8.903  11.635
   87    HA   HIS  12           HA       HIS  12   6.117 -10.469  13.427
   88    HB2  HIS  12           HB2      HIS  12   8.293  -9.299  13.903
   89    HB3  HIS  12           HB3      HIS  12   7.423  -7.770  13.966
   90    HD1  HIS  12           HD1      HIS  12   4.888  -9.225  15.779
   91    HD2  HIS  12           HD2      HIS  12   9.062  -9.073  16.440
   92    HE1  HIS  12           HE1      HIS  12   5.233  -9.550  18.255
   93    H    ARG  13           H        ARG  13   5.673  -7.015  12.340
   94    HA   ARG  13           HA       ARG  13   3.300  -6.620  13.866
   95    HB2  ARG  13           HB2      ARG  13   4.256  -5.291  11.294
   96    HB3  ARG  13           HB3      ARG  13   2.771  -4.833  12.138
   97    HG2  ARG  13           HG2      ARG  13   4.108  -4.394  14.218
   98    HG3  ARG  13           HG3      ARG  13   5.587  -4.694  13.293
   99    HD2  ARG  13           HD2      ARG  13   4.888  -2.884  11.693
  100    HD3  ARG  13           HD3      ARG  13   3.500  -2.537  12.730
  101    HE   ARG  13           HE       ARG  13   6.290  -1.822  13.133
  102   HH11  ARG  13          HH11      ARG  13   3.165  -2.271  14.860
  103   HH12  ARG  13          HH12      ARG  13   3.639  -1.250  16.167
  104   HH21  ARG  13          HH21      ARG  13   6.856  -0.486  14.901
  105   HH22  ARG  13          HH22      ARG  13   5.753  -0.223  16.194
  106    H    ILE  14           H        ILE  14   3.672  -7.855  10.482
  107    HA   ILE  14           HA       ILE  14   0.940  -8.106   9.902
  108    HB   ILE  14           HB       ILE  14   3.391  -9.684   9.082
  109   HG12  ILE  14          HG12      ILE  14   1.566  -7.884   7.442
  110   HG13  ILE  14          HG13      ILE  14   2.943  -7.254   8.322
  111   HG21  ILE  14          HG21      ILE  14   2.081 -10.796   7.317
  112   HG22  ILE  14          HG22      ILE  14   1.525 -11.275   8.906
  113   HG23  ILE  14          HG23      ILE  14   0.585 -10.088   7.965
  114   HD11  ILE  14          HD11      ILE  14   3.041  -9.257   6.033
  115   HD12  ILE  14          HD12      ILE  14   3.601  -7.584   6.037
  116   HD13  ILE  14          HD13      ILE  14   4.453  -8.787   7.024
  117    H    GLU  15           H        GLU  15   3.096 -10.562  11.411
  118    HA   GLU  15           HA       GLU  15   1.045 -12.436  11.795
  119    HB2  GLU  15           HB2      GLU  15   3.472 -12.928  11.740
  120    HB3  GLU  15           HB3      GLU  15   3.710 -12.030  13.235
  121    HG2  GLU  15           HG2      GLU  15   3.723 -14.401  13.695
  122    HG3  GLU  15           HG3      GLU  15   2.355 -13.622  14.479
  123    H    THR  16           H        THR  16   2.251  -9.957  14.188
  124    HA   THR  16           HA       THR  16   0.286 -11.075  16.101
  125    HB   THR  16           HB       THR  16   1.640  -9.963  17.803
  126    HG1  THR  16           HG1      THR  16   2.534  -8.244  16.754
  127   HG21  THR  16          HG21      THR  16   3.585 -11.385  17.652
  128   HG22  THR  16          HG22      THR  16   2.198 -12.279  17.011
  129   HG23  THR  16          HG23      THR  16   3.394 -11.575  15.898
  130    H    GLU  17           H        GLU  17   0.412  -8.360  14.037
  131    HA   GLU  17           HA       GLU  17  -1.467  -6.848  15.787
  132    HB2  GLU  17           HB2      GLU  17   0.933  -6.064  15.741
  133    HB3  GLU  17           HB3      GLU  17   0.722  -5.672  14.035
  134    HG2  GLU  17           HG2      GLU  17  -0.954  -3.999  14.555
  135    HG3  GLU  17           HG3      GLU  17  -0.959  -4.485  16.256
  136    H    ILE  18           H        ILE  18  -1.033  -8.275  12.641
  137    HA   ILE  18           HA       ILE  18  -3.339  -6.645  11.640
  138    HB   ILE  18           HB       ILE  18  -1.255  -8.032   9.934
  139   HG12  ILE  18          HG12      ILE  18  -1.429  -5.125  10.833
  140   HG13  ILE  18          HG13      ILE  18  -0.123  -6.240  11.159
  141   HG21  ILE  18          HG21      ILE  18  -2.232  -6.774   8.107
  142   HG22  ILE  18          HG22      ILE  18  -3.531  -7.630   8.920
  143   HG23  ILE  18          HG23      ILE  18  -3.306  -5.904   9.226
  144   HD11  ILE  18          HD11      ILE  18   0.658  -4.784   9.475
  145   HD12  ILE  18          HD12      ILE  18   0.347  -6.335   8.674
  146   HD13  ILE  18          HD13      ILE  18  -0.795  -4.991   8.486
  147    H    ILE  19           H        ILE  19  -1.887  -9.988  11.430
  148    HA   ILE  19           HA       ILE  19  -4.649 -10.983  10.880
  149    HB   ILE  19           HB       ILE  19  -3.574 -12.653   9.484
  150   HG12  ILE  19          HG12      ILE  19  -1.075 -10.943   9.550
  151   HG13  ILE  19          HG13      ILE  19  -1.267 -12.299  10.682
  152   HG21  ILE  19          HG21      ILE  19  -2.949  -9.801   8.607
  153   HG22  ILE  19          HG22      ILE  19  -3.265 -11.189   7.568
  154   HG23  ILE  19          HG23      ILE  19  -4.567 -10.531   8.571
  155   HD11  ILE  19          HD11      ILE  19  -1.262 -12.407   7.664
  156   HD12  ILE  19          HD12      ILE  19  -0.047 -13.057   8.824
  157   HD13  ILE  19          HD13      ILE  19  -1.676 -13.778   8.740
  158    H    VAL  20           H        VAL  20  -2.883 -10.915  13.501
  159    HA   VAL  20           HA       VAL  20  -2.115 -13.343  14.314
  160    HB   VAL  20           HB       VAL  20  -1.982 -11.160  15.484
  161   HG11  VAL  20          HG11      VAL  20  -4.706 -11.811  16.662
  162   HG12  VAL  20          HG12      VAL  20  -3.645 -10.457  17.096
  163   HG13  VAL  20          HG13      VAL  20  -4.372 -10.518  15.486
  164   HG21  VAL  20          HG21      VAL  20  -2.842 -13.457  17.282
  165   HG22  VAL  20          HG22      VAL  20  -1.226 -13.243  16.570
  166   HG23  VAL  20          HG23      VAL  20  -1.839 -12.064  17.744
  167    H    ASP  21           H        ASP  21  -5.576 -12.447  14.225
  168    HA   ASP  21           HA       ASP  21  -6.260 -15.113  15.359
  169    HB2  ASP  21           HB2      ASP  21  -6.991 -13.064  16.564
  170    HB3  ASP  21           HB3      ASP  21  -7.932 -12.590  15.148
  171    H    ALA  22           H        ALA  22  -5.673 -14.000  12.449
  172    HA   ALA  22           HA       ALA  22  -8.212 -14.740  11.071
  173    HB1  ALA  22           HB1      ALA  22  -7.554 -12.401  10.765
  174    HB2  ALA  22           HB2      ALA  22  -5.926 -12.904  10.246
  175    HB3  ALA  22           HB3      ALA  22  -7.327 -13.323   9.261
  176    H    GLU  23           H        GLU  23  -8.149 -16.180   9.564
  177    HA   GLU  23           HA       GLU  23  -5.797 -17.124   8.133
  178    HB2  GLU  23           HB2      GLU  23  -5.798 -19.322   8.773
  179    HB3  GLU  23           HB3      GLU  23  -5.731 -18.362  10.248
  180    HG2  GLU  23           HG2      GLU  23  -8.257 -19.679   9.227
  181    HG3  GLU  23           HG3      GLU  23  -7.093 -20.509  10.244
  182    H    ASP  24           H        ASP  24  -9.228 -17.094   8.686
  183    HA   ASP  24           HA       ASP  24 -10.107 -18.443   6.316
  184    HB2  ASP  24           HB2      ASP  24 -11.673 -16.287   7.715
  185    HB3  ASP  24           HB3      ASP  24 -12.225 -17.808   7.067
  186    H    LYS  25           H        LYS  25 -10.632 -17.263   4.334
  187    HA   LYS  25           HA       LYS  25  -8.888 -15.103   3.812
  188    HB2  LYS  25           HB2      LYS  25  -9.949 -14.897   1.650
  189    HB3  LYS  25           HB3      LYS  25  -9.645 -16.578   2.085
  190    HG2  LYS  25           HG2      LYS  25 -12.095 -16.791   2.724
  191    HG3  LYS  25           HG3      LYS  25 -12.331 -15.118   2.205
  192    HD2  LYS  25           HD2      LYS  25 -13.038 -16.574   0.399
  193    HD3  LYS  25           HD3      LYS  25 -11.584 -15.703  -0.078
  194    HE2  LYS  25           HE2      LYS  25 -11.167 -17.878  -0.826
  195    HE3  LYS  25           HE3      LYS  25 -10.247 -17.768   0.676
  196    HZ1  LYS  25           HZ1      LYS  25 -12.903 -19.061   0.371
  197    HZ2  LYS  25           HZ2      LYS  25 -11.484 -19.840   0.524
  198    HZ3  LYS  25           HZ3      LYS  25 -12.068 -18.979   1.776
  199    H    GLU  26           H        GLU  26 -12.242 -15.019   4.961
  200    HA   GLU  26           HA       GLU  26 -12.666 -12.229   4.324
  201    HB2  GLU  26           HB2      GLU  26 -14.028 -14.119   6.302
  202    HB3  GLU  26           HB3      GLU  26 -14.576 -12.478   5.935
  203    HG2  GLU  26           HG2      GLU  26 -14.863 -13.111   3.542
  204    HG3  GLU  26           HG3      GLU  26 -14.365 -14.760   3.919
  205    H    GLU  27           H        GLU  27 -11.428 -14.097   7.155
  206    HA   GLU  27           HA       GLU  27 -11.278 -11.736   8.824
  207    HB2  GLU  27           HB2      GLU  27  -9.926 -14.441   9.157
  208    HB3  GLU  27           HB3      GLU  27 -10.017 -13.123  10.342
  209    HG2  GLU  27           HG2      GLU  27 -12.618 -13.307   9.973
  210    HG3  GLU  27           HG3      GLU  27 -12.217 -14.871   9.246
  211    H    ARG  28           H        ARG  28  -9.002 -13.535   6.667
  212    HA   ARG  28           HA       ARG  28  -6.718 -11.944   7.388
  213    HB2  ARG  28           HB2      ARG  28  -7.491 -13.437   4.846
  214    HB3  ARG  28           HB3      ARG  28  -5.978 -12.542   4.981
  215    HG2  ARG  28           HG2      ARG  28  -6.739 -14.681   7.004
  216    HG3  ARG  28           HG3      ARG  28  -5.912 -15.078   5.496
  217    HD2  ARG  28           HD2      ARG  28  -3.990 -13.732   6.060
  218    HD3  ARG  28           HD3      ARG  28  -4.837 -12.970   7.398
  219    HE   ARG  28           HE       ARG  28  -4.591 -14.830   8.751
  220   HH11  ARG  28          HH11      ARG  28  -3.071 -15.523   5.612
  221   HH12  ARG  28          HH12      ARG  28  -2.169 -16.863   6.220
  222   HH21  ARG  28          HH21      ARG  28  -3.528 -16.558   9.509
  223   HH22  ARG  28          HH22      ARG  28  -2.420 -17.474   8.530
  224    H    ALA  29           H        ALA  29  -9.189 -11.433   4.808
  225    HA   ALA  29           HA       ALA  29  -8.169  -8.986   3.879
  226    HB1  ALA  29           HB1      ALA  29 -10.438  -8.658   2.978
  227    HB2  ALA  29           HB2      ALA  29  -9.919 -10.335   2.751
  228    HB3  ALA  29           HB3      ALA  29 -11.067  -9.939   4.043
  229    H    MET  30           H        MET  30 -10.580  -9.606   6.525
  230    HA   MET  30           HA       MET  30 -10.921  -6.843   7.145
  231    HB2  MET  30           HB2      MET  30 -11.438  -9.350   8.755
  232    HB3  MET  30           HB3      MET  30 -11.816  -7.729   9.333
  233    HG2  MET  30           HG2      MET  30 -12.958  -8.979   6.806
  234    HG3  MET  30           HG3      MET  30 -13.761  -8.852   8.359
  235    HE1  MET  30           HE1      MET  30 -13.664  -5.811   5.011
  236    HE2  MET  30           HE2      MET  30 -12.039  -6.032   5.659
  237    HE3  MET  30           HE3      MET  30 -12.935  -7.433   5.051
  238    H    GLY  31           H        GLY  31  -8.562  -9.227   8.452
  239    HA2  GLY  31           HA2      GLY  31  -7.560  -7.639  10.546
  240    HA3  GLY  31           HA3      GLY  31  -6.659  -8.868   9.629
  241    H    TRP  32           H        TRP  32  -6.471  -7.874   7.106
  242    HA   TRP  32           HA       TRP  32  -4.531  -5.794   7.261
  243    HB2  TRP  32           HB2      TRP  32  -6.070  -7.081   4.998
  244    HB3  TRP  32           HB3      TRP  32  -5.069  -5.662   4.717
  245    HD1  TRP  32           HD1      TRP  32  -4.762  -9.364   5.204
  246    HE1  TRP  32           HE1      TRP  32  -2.317 -10.090   5.057
  247    HE3  TRP  32           HE3      TRP  32  -2.605  -4.755   5.310
  248    HZ2  TRP  32           HZ2      TRP  32   0.301  -8.787   5.315
  249    HZ3  TRP  32           HZ3      TRP  32  -0.133  -4.505   5.341
  250    HH2  TRP  32           HH2      TRP  32   1.321  -6.515   5.344
  251    H    TYR  33           H        TYR  33  -8.021  -5.669   6.337
  252    HA   TYR  33           HA       TYR  33  -8.084  -2.950   5.641
  253    HB2  TYR  33           HB2      TYR  33  -9.877  -4.392   5.041
  254    HB3  TYR  33           HB3      TYR  33 -10.112  -4.916   6.692
  255    HD1  TYR  33           HD2      TYR  33 -10.118  -1.566   4.933
  256    HD2  TYR  33           HD1      TYR  33 -12.115  -4.293   7.603
  257    HE1  TYR  33           HE2      TYR  33 -11.958   0.060   5.212
  258    HE2  TYR  33           HE1      TYR  33 -13.928  -2.653   7.939
  259    HH   TYR  33           HH       TYR  33 -14.005   0.506   6.212
  260    H    TYR  34           H        TYR  34  -8.653  -4.453   8.898
  261    HA   TYR  34           HA       TYR  34  -9.472  -2.014  10.127
  262    HB2  TYR  34           HB2      TYR  34  -8.225  -4.520  11.326
  263    HB3  TYR  34           HB3      TYR  34  -9.006  -3.240  12.238
  264    HD1  TYR  34           HD2      TYR  34 -11.299  -3.258   9.716
  265    HD2  TYR  34           HD1      TYR  34  -9.720  -5.984  12.673
  266    HE1  TYR  34           HE2      TYR  34 -13.440  -4.472   9.737
  267    HE2  TYR  34           HE1      TYR  34 -11.862  -7.224  12.675
  268    HH   TYR  34           HH       TYR  34 -14.653  -6.253  10.626
  269    H    TYR  35           H        TYR  35  -6.250  -3.682   9.986
  270    HA   TYR  35           HA       TYR  35  -4.962  -1.683  11.622
  271    HB2  TYR  35           HB2      TYR  35  -4.037  -3.941  11.362
  272    HB3  TYR  35           HB3      TYR  35  -3.916  -3.727   9.618
  273    HD1  TYR  35           HD2      TYR  35  -2.524  -2.553  12.891
  274    HD2  TYR  35           HD1      TYR  35  -2.017  -2.695   8.613
  275    HE1  TYR  35           HE2      TYR  35  -0.226  -1.674  13.137
  276    HE2  TYR  35           HE1      TYR  35   0.277  -1.810   8.841
  277    HH   TYR  35           HH       TYR  35   1.693  -0.973  12.041
  278    H    LEU  36           H        LEU  36  -5.393  -2.033   8.037
  279    HA   LEU  36           HA       LEU  36  -3.635   0.111   7.378
  280    HB2  LEU  36           HB2      LEU  36  -5.790  -1.434   5.962
  281    HB3  LEU  36           HB3      LEU  36  -5.394   0.141   5.322
  282    HG   LEU  36           HG       LEU  36  -3.227  -0.374   4.752
  283   HD11  LEU  36          HD11      LEU  36  -3.275  -2.853   6.500
  284   HD12  LEU  36          HD12      LEU  36  -2.002  -2.458   5.314
  285   HD13  LEU  36          HD13      LEU  36  -2.259  -1.404   6.691
  286   HD21  LEU  36          HD21      LEU  36  -4.748  -3.007   4.394
  287   HD22  LEU  36          HD22      LEU  36  -5.024  -1.556   3.421
  288   HD23  LEU  36          HD23      LEU  36  -3.460  -2.384   3.347
  289    H    ASP  37           H        ASP  37  -7.277   0.059   7.842
  290    HA   ASP  37           HA       ASP  37  -7.509   2.899   7.538
  291    HB2  ASP  37           HB2      ASP  37  -9.585   1.611   7.836
  292    HB3  ASP  37           HB3      ASP  37  -9.064   1.051   9.417
  293    H    ASP  38           H        ASP  38  -6.770   0.873  10.521
  294    HA   ASP  38           HA       ASP  38  -7.003   3.260  11.818
  295    HB2  ASP  38           HB2      ASP  38  -7.244   1.124  13.003
  296    HB3  ASP  38           HB3      ASP  38  -5.478   1.111  13.195
  297    H    THR  39           H        THR  39  -4.316   2.133  10.082
  298    HA   THR  39           HA       THR  39  -2.316   3.721  11.578
  299    HB   THR  39           HB       THR  39  -2.173   2.011   9.056
  300    HG1  THR  39           HG1      THR  39  -2.625   0.706  10.690
  301   HG21  THR  39          HG21      THR  39  -0.390   3.657   9.213
  302   HG22  THR  39          HG22      THR  39   0.041   3.111  10.847
  303   HG23  THR  39          HG23      THR  39   0.257   2.022   9.444
  304    H    LEU  40           H        LEU  40  -4.059   3.739   8.435
  305    HA   LEU  40           HA       LEU  40  -3.024   6.191   7.412
  306    HB2  LEU  40           HB2      LEU  40  -5.777   4.943   7.112
  307    HB3  LEU  40           HB3      LEU  40  -5.140   6.247   6.115
  308    HG   LEU  40           HG       LEU  40  -3.787   3.529   6.232
  309   HD11  LEU  40          HD11      LEU  40  -6.147   3.213   5.528
  310   HD12  LEU  40          HD12      LEU  40  -5.945   4.455   4.273
  311   HD13  LEU  40          HD13      LEU  40  -5.037   2.930   4.188
  312   HD21  LEU  40          HD21      LEU  40  -3.698   5.738   4.156
  313   HD22  LEU  40          HD22      LEU  40  -2.384   5.202   5.240
  314   HD23  LEU  40          HD23      LEU  40  -2.984   4.127   3.985
  315    H    GLU  41           H        GLU  41  -3.543   8.283   7.883
  316    HA   GLU  41           HA       GLU  41  -5.871   8.891   9.646
  317    HB2  GLU  41           HB2      GLU  41  -3.091  10.116   9.596
  318    HB3  GLU  41           HB3      GLU  41  -4.468  10.857  10.421
  319    HG2  GLU  41           HG2      GLU  41  -3.450   8.049  11.015
  320    HG3  GLU  41           HG3      GLU  41  -2.953   9.487  11.893
  321    H    PHE  42           H        PHE  42  -6.558   8.569   7.260
  322    HA   PHE  42           HA       PHE  42  -6.305  10.688   5.387
  323    HB2  PHE  42           HB2      PHE  42  -8.399   9.588   4.432
  324    HB3  PHE  42           HB3      PHE  42  -7.015   8.558   4.643
  325    HD1  PHE  42           HD1      PHE  42 -10.177   9.585   6.437
  326    HD2  PHE  42           HD2      PHE  42  -7.353   6.444   5.552
  327    HE1  PHE  42           HE1      PHE  42 -11.635   7.947   7.584
  328    HE2  PHE  42           HE2      PHE  42  -8.808   4.814   6.727
  329    HZ   PHE  42           HZ       PHE  42 -10.964   5.562   7.722
  330    HA   PRO  43           HA       PRO  43  -8.364  11.513   3.768
  331    HB2  PRO  43           HB2      PRO  43  -8.688  14.100   2.982
  332    HB3  PRO  43           HB3      PRO  43 -10.041  13.033   3.464
  333    HG2  PRO  43           HG2      PRO  43  -8.590  15.076   5.173
  334    HG3  PRO  43           HG3      PRO  43 -10.359  14.855   4.971
  335    HD2  PRO  43           HD2      PRO  43  -9.017  13.783   7.083
  336    HD3  PRO  43           HD3      PRO  43 -10.357  12.897   6.300
  337    H    PHE  44           H        PHE  44  -6.740  11.969   2.207
  338    HA   PHE  44           HA       PHE  44  -4.564  13.808   2.836
  339    HB2  PHE  44           HB2      PHE  44  -2.793  12.198   2.693
  340    HB3  PHE  44           HB3      PHE  44  -3.833  11.765   4.033
  341    HD1  PHE  44           HD2      PHE  44  -2.630  10.805   0.686
  342    HD2  PHE  44           HD1      PHE  44  -5.065   9.622   4.012
  343    HE1  PHE  44           HE2      PHE  44  -2.790   8.534  -0.264
  344    HE2  PHE  44           HE1      PHE  44  -5.222   7.328   3.085
  345    HZ   PHE  44           HZ       PHE  44  -4.078   6.770   0.947
  346    H    MET  45           H        MET  45  -3.024  13.904   0.876
  347    HA   MET  45           HA       MET  45  -4.621  13.592  -1.608
  348    HB2  MET  45           HB2      MET  45  -3.621  15.797  -1.019
  349    HB3  MET  45           HB3      MET  45  -2.012  15.056  -0.975
  350    HG2  MET  45           HG2      MET  45  -2.271  14.449  -3.387
  351    HG3  MET  45           HG3      MET  45  -3.828  15.281  -3.402
  352    HE1  MET  45           HE1      MET  45  -1.384  17.436  -5.575
  353    HE2  MET  45           HE2      MET  45  -1.539  15.668  -5.400
  354    HE3  MET  45           HE3      MET  45  -2.994  16.682  -5.494
  355    H    GLY  46           H        GLY  46  -3.877  12.274  -3.369
  356    HA2  GLY  46           HA2      GLY  46  -1.182  11.155  -3.212
  357    HA3  GLY  46           HA3      GLY  46  -2.489   9.967  -3.107
  358    H    LYS  47           H        LYS  47  -0.794   9.709  -5.098
  359    HA   LYS  47           HA       LYS  47  -2.253  10.669  -7.515
  360    HB2  LYS  47           HB2      LYS  47   0.423  10.795  -7.258
  361    HB3  LYS  47           HB3      LYS  47   0.336   9.077  -7.588
  362    HG2  LYS  47           HG2      LYS  47   0.661  10.031  -9.704
  363    HG3  LYS  47           HG3      LYS  47  -1.064   9.692  -9.672
  364    HD2  LYS  47           HD2      LYS  47  -0.919  11.890 -10.588
  365    HD3  LYS  47           HD3      LYS  47  -1.387  12.134  -8.921
  366    HE2  LYS  47           HE2      LYS  47   0.235  13.756  -9.244
  367    HE3  LYS  47           HE3      LYS  47   1.101  12.483  -8.381
  368    HZ1  LYS  47           HZ1      LYS  47   1.965  11.750 -10.604
  369    HZ2  LYS  47           HZ2      LYS  47   1.221  13.041 -11.289
  370    HZ3  LYS  47           HZ3      LYS  47   2.412  13.273 -10.208
  371    H    TRP  48           H        TRP  48  -3.619   9.216  -8.400
  372    HA   TRP  48           HA       TRP  48  -3.640   6.398  -7.498
  373    HB2  TRP  48           HB2      TRP  48  -5.770   7.669  -7.757
  374    HB3  TRP  48           HB3      TRP  48  -5.401   7.948  -9.445
  375    HD1  TRP  48           HD1      TRP  48  -4.482   4.478  -8.787
  376    HE1  TRP  48           HE1      TRP  48  -6.284   2.840  -9.484
  377    HE3  TRP  48           HE3      TRP  48  -8.355   7.771  -9.290
  378    HZ2  TRP  48           HZ2      TRP  48  -9.113   2.931 -10.178
  379    HZ3  TRP  48           HZ3      TRP  48 -10.605   6.966  -9.954
  380    HH2  TRP  48           HH2      TRP  48 -10.993   4.551 -10.396
  381    H    LYS  49           H        LYS  49  -1.992   5.268  -8.454
  382    HA   LYS  49           HA       LYS  49  -0.987   5.827 -11.160
  383    HB2  LYS  49           HB2      LYS  49  -0.278   3.927  -8.869
  384    HB3  LYS  49           HB3      LYS  49   0.385   3.717 -10.483
  385    HG2  LYS  49           HG2      LYS  49   1.419   5.911 -10.445
  386    HG3  LYS  49           HG3      LYS  49   0.753   6.241  -8.832
  387    HD2  LYS  49           HD2      LYS  49   2.079   4.544  -7.807
  388    HD3  LYS  49           HD3      LYS  49   2.472   3.779  -9.359
  389    HE2  LYS  49           HE2      LYS  49   3.838   5.622 -10.048
  390    HE3  LYS  49           HE3      LYS  49   3.366   6.593  -8.639
  391    HZ1  LYS  49           HZ1      LYS  49   5.546   5.559  -8.363
  392    HZ2  LYS  49           HZ2      LYS  49   4.520   5.021  -7.211
  393    HZ3  LYS  49           HZ3      LYS  49   4.910   4.066  -8.494
  394    H    LYS  50           H        LYS  50  -3.358   5.502 -11.869
  395    HA   LYS  50           HA       LYS  50  -4.593   2.899 -11.462
  396    HB2  LYS  50           HB2      LYS  50  -5.800   5.099 -11.937
  397    HB3  LYS  50           HB3      LYS  50  -5.190   4.995 -13.595
  398    HG2  LYS  50           HG2      LYS  50  -6.313   2.732 -13.773
  399    HG3  LYS  50           HG3      LYS  50  -7.019   2.988 -12.186
  400    HD2  LYS  50           HD2      LYS  50  -8.342   4.809 -12.954
  401    HD3  LYS  50           HD3      LYS  50  -7.419   4.984 -14.455
  402    HE2  LYS  50           HE2      LYS  50  -9.027   2.489 -13.752
  403    HE3  LYS  50           HE3      LYS  50  -9.696   3.838 -14.674
  404    HZ1  LYS  50           HZ1      LYS  50  -8.094   3.459 -16.394
  405    HZ2  LYS  50           HZ2      LYS  50  -7.299   2.303 -15.551
  406    HZ3  LYS  50           HZ3      LYS  50  -8.827   2.040 -16.083
  407    H    LYS  51           H        LYS  51  -4.422   1.013 -12.844
  408    HA   LYS  51           HA       LYS  51  -2.472   0.888 -14.891
  409    HB2  LYS  51           HB2      LYS  51  -3.594  -1.077 -13.784
  410    HB3  LYS  51           HB3      LYS  51  -5.070  -0.712 -14.698
  411    HG2  LYS  51           HG2      LYS  51  -3.803  -1.063 -16.833
  412    HG3  LYS  51           HG3      LYS  51  -2.337  -1.369 -15.895
  413    HD2  LYS  51           HD2      LYS  51  -3.243  -3.481 -16.609
  414    HD3  LYS  51           HD3      LYS  51  -3.441  -3.358 -14.856
  415    HE2  LYS  51           HE2      LYS  51  -5.822  -2.707 -15.174
  416    HE3  LYS  51           HE3      LYS  51  -5.610  -2.761 -16.928
  417    HZ1  LYS  51           HZ1      LYS  51  -5.164  -5.139 -16.735
  418    HZ2  LYS  51           HZ2      LYS  51  -5.351  -5.090 -15.111
  419    HZ3  LYS  51           HZ3      LYS  51  -6.616  -4.787 -16.090
  420    H    SER  52           H        SER  52  -2.497   1.574 -17.025
  421    HA   SER  52           HA       SER  52  -4.367   3.567 -17.747
  422    HB2  SER  52           HB2      SER  52  -1.946   3.478 -18.466
  423    HB3  SER  52           HB3      SER  52  -2.338   2.104 -19.495
  424    HG   SER  52           HG       SER  52  -2.966   4.822 -19.817
  425    H    ARG  53           H        ARG  53  -5.590   3.714 -19.652
  426    HA   ARG  53           HA       ARG  53  -7.290   1.408 -20.285
  427    HB2  ARG  53           HB2      ARG  53  -8.086   3.796 -20.145
  428    HB3  ARG  53           HB3      ARG  53  -7.061   4.204 -21.521
  429    HG2  ARG  53           HG2      ARG  53  -8.358   2.660 -22.966
  430    HG3  ARG  53           HG3      ARG  53  -9.339   2.164 -21.568
  431    HD2  ARG  53           HD2      ARG  53 -10.152   4.491 -21.321
  432    HD3  ARG  53           HD3      ARG  53  -9.161   4.986 -22.711
  433    HE   ARG  53           HE       ARG  53 -10.816   2.827 -23.507
  434   HH11  ARG  53          HH21      ARG  53 -11.149   6.239 -22.582
  435   HH12  ARG  53          HH22      ARG  53 -12.574   6.503 -23.516
  436   HH21  ARG  53          HH11      ARG  53 -12.717   3.176 -24.754
  437   HH22  ARG  53          HH12      ARG  53 -13.482   4.718 -24.778
  438    H    LYS  54           H        LYS  54  -4.348   2.977 -21.458
  439    HA   LYS  54           HA       LYS  54  -4.471   2.100 -24.195
  440    HB2  LYS  54           HB2      LYS  54  -2.097   2.942 -22.464
  441    HB3  LYS  54           HB3      LYS  54  -2.091   2.824 -24.222
  442    HG2  LYS  54           HG2      LYS  54  -3.624   4.688 -24.439
  443    HG3  LYS  54           HG3      LYS  54  -3.933   4.715 -22.694
  444    HD2  LYS  54           HD2      LYS  54  -1.522   5.243 -22.281
  445    HD3  LYS  54           HD3      LYS  54  -1.256   5.288 -24.027
  446    HE2  LYS  54           HE2      LYS  54  -1.478   7.542 -23.179
  447    HE3  LYS  54           HE3      LYS  54  -2.849   7.178 -24.233
  448    HZ1  LYS  54           HZ1      LYS  54  -3.441   8.315 -22.131
  449    HZ2  LYS  54           HZ2      LYS  54  -4.219   6.891 -22.294
  450    HZ3  LYS  54           HZ3      LYS  54  -2.955   7.009 -21.262
  451    H    THR  55           H        THR  55  -2.639   0.968 -21.315
  452    HA   THR  55           HA       THR  55  -2.328  -1.761 -22.297
  453    HB   THR  55           HB       THR  55   0.325  -1.129 -21.845
  454    HG1  THR  55           HG1      THR  55   0.079   1.072 -21.813
  455   HG21  THR  55          HG21      THR  55  -0.981  -0.925 -24.582
  456   HG22  THR  55          HG22      THR  55   0.712  -1.301 -24.215
  457   HG23  THR  55          HG23      THR  55  -0.559  -2.440 -23.753
  458    H    SER  56           H        SER  56  -0.659  -2.839 -20.572
  459    HA   SER  56           HA       SER  56  -1.598  -2.442 -17.938
  460    HB2  SER  56           HB2      SER  56   0.994  -3.760 -18.823
  461    HB3  SER  56           HB3      SER  56   0.043  -4.115 -17.369
  462    HG   SER  56           HG       SER  56  -0.317  -5.635 -19.053
  463    H    THR  57           H        THR  57   0.038  -0.102 -19.458
  464    HA   THR  57           HA       THR  57   2.235   0.577 -17.725
  465    HB   THR  57           HB       THR  57   1.761   2.812 -19.041
  466    HG1  THR  57           HG1      THR  57   0.233   2.752 -20.486
  467   HG21  THR  57          HG21      THR  57   2.832   1.917 -21.075
  468   HG22  THR  57          HG22      THR  57   3.590   1.249 -19.621
  469   HG23  THR  57          HG23      THR  57   2.458   0.256 -20.566
  470    H    ILE  58           H        ILE  58   2.178   2.557 -16.346
  471    HA   ILE  58           HA       ILE  58  -0.343   2.806 -14.848
  472    HB   ILE  58           HB       ILE  58   2.529   3.471 -14.446
  473   HG12  ILE  58          HG12      ILE  58   1.984   2.836 -12.137
  474   HG13  ILE  58          HG13      ILE  58   0.256   2.825 -12.526
  475   HG21  ILE  58          HG21      ILE  58   2.183   5.143 -12.706
  476   HG22  ILE  58          HG22      ILE  58   1.703   5.770 -14.280
  477   HG23  ILE  58          HG23      ILE  58   0.458   5.259 -13.112
  478   HD11  ILE  58          HD11      ILE  58   0.502   0.882 -13.931
  479   HD12  ILE  58          HD12      ILE  58   2.288   0.959 -13.787
  480   HD13  ILE  58          HD13      ILE  58   1.288   0.573 -12.371
  481    H    GLU  59           H        GLU  59  -1.567   4.599 -14.659
  482    HA   GLU  59           HA       GLU  59  -1.222   6.861 -16.539
  483    HB2  GLU  59           HB2      GLU  59  -2.838   5.010 -17.235
  484    HB3  GLU  59           HB3      GLU  59  -3.827   5.407 -15.846
  485    HG2  GLU  59           HG2      GLU  59  -4.767   6.462 -17.774
  486    HG3  GLU  59           HG3      GLU  59  -4.044   7.751 -16.795
  487    H    GLU  60           H        GLU  60  -0.451   8.199 -14.917
  488    HA   GLU  60           HA       GLU  60  -1.355   8.130 -12.188
  489    HB2  GLU  60           HB2      GLU  60   0.281  10.111 -13.827
  490    HB3  GLU  60           HB3      GLU  60  -0.082  10.344 -12.118
  491    HG2  GLU  60           HG2      GLU  60   1.027   8.211 -11.555
  492    HG3  GLU  60           HG3      GLU  60   1.378   7.934 -13.264
  493    H    LYS  61           H        LYS  61  -3.105   9.125 -11.251
  494    HA   LYS  61           HA       LYS  61  -4.276  11.550 -12.581
  495    HB2  LYS  61           HB2      LYS  61  -5.624   9.481 -13.012
  496    HB3  LYS  61           HB3      LYS  61  -5.713   9.192 -11.274
  497    HG2  LYS  61           HG2      LYS  61  -6.847  11.485 -11.071
  498    HG3  LYS  61           HG3      LYS  61  -6.952  11.493 -12.833
  499    HD2  LYS  61           HD2      LYS  61  -8.195   9.519 -10.877
  500    HD3  LYS  61           HD3      LYS  61  -9.055  10.706 -11.840
  501    HE2  LYS  61           HE2      LYS  61  -7.541   8.287 -12.941
  502    HE3  LYS  61           HE3      LYS  61  -9.279   8.363 -12.669
  503    HZ1  LYS  61           HZ1      LYS  61  -8.769   8.818 -14.968
  504    HZ2  LYS  61           HZ2      LYS  61  -9.413  10.155 -14.303
  505    HZ3  LYS  61           HZ3      LYS  61  -7.804  10.075 -14.592
  506    H    THR  62           H        THR  62  -4.369  13.251 -11.077
  507    HA   THR  62           HA       THR  62  -3.377  12.716  -8.395
  508    HB   THR  62           HB       THR  62  -4.369  15.352  -9.536
  509    HG1  THR  62           HG1      THR  62  -2.382  15.590 -10.480
  510   HG21  THR  62          HG21      THR  62  -2.138  14.630  -7.575
  511   HG22  THR  62          HG22      THR  62  -2.611  16.274  -8.074
  512   HG23  THR  62          HG23      THR  62  -3.734  15.275  -7.135
  513    H    VAL  63           H        VAL  63  -4.610  12.439  -6.548
  514    HA   VAL  63           HA       VAL  63  -7.467  13.135  -6.681
  515    HB   VAL  63           HB       VAL  63  -8.096  10.936  -5.877
  516   HG11  VAL  63          HG11      VAL  63  -8.096  11.351  -8.338
  517   HG12  VAL  63          HG12      VAL  63  -6.505  10.576  -8.441
  518   HG13  VAL  63          HG13      VAL  63  -7.914   9.652  -7.891
  519   HG21  VAL  63          HG21      VAL  63  -5.227  10.026  -6.365
  520   HG22  VAL  63          HG22      VAL  63  -5.984  10.226  -4.771
  521   HG23  VAL  63          HG23      VAL  63  -6.607   9.013  -5.889
  522    H    GLU  64           H        GLU  64  -8.508  13.153  -4.685
  523    HA   GLU  64           HA       GLU  64  -6.763  13.452  -2.271
  524    HB2  GLU  64           HB2      GLU  64  -8.169  15.444  -2.856
  525    HB3  GLU  64           HB3      GLU  64  -9.616  14.437  -2.760
  526    HG2  GLU  64           HG2      GLU  64  -9.193  13.982  -0.382
  527    HG3  GLU  64           HG3      GLU  64  -7.631  14.796  -0.468
  528    H    VAL  65           H        VAL  65  -6.905  11.738  -0.888
  529    HA   VAL  65           HA       VAL  65  -8.825   9.556  -1.437
  530    HB   VAL  65           HB       VAL  65  -6.383   9.717   0.403
  531   HG11  VAL  65          HG11      VAL  65  -7.936   8.102   1.306
  532   HG12  VAL  65          HG12      VAL  65  -8.272   7.444  -0.309
  533   HG13  VAL  65          HG13      VAL  65  -6.688   7.191   0.458
  534   HG21  VAL  65          HG21      VAL  65  -6.731   8.399  -2.327
  535   HG22  VAL  65          HG22      VAL  65  -5.666   9.765  -1.935
  536   HG23  VAL  65          HG23      VAL  65  -5.339   8.171  -1.257
  537    H    LEU  66           H        LEU  66 -10.717   9.691  -0.353
  538    HA   LEU  66           HA       LEU  66 -10.998  11.523   1.906
  539    HB2  LEU  66           HB2      LEU  66 -12.984   9.530   0.719
  540    HB3  LEU  66           HB3      LEU  66 -13.330  10.719   1.955
  541    HG   LEU  66           HG       LEU  66 -14.210  11.641   0.031
  542   HD11  LEU  66          HD11      LEU  66 -12.987  13.686  -0.404
  543   HD12  LEU  66          HD12      LEU  66 -12.813  13.272   1.310
  544   HD13  LEU  66          HD13      LEU  66 -11.472  12.975   0.176
  545   HD21  LEU  66          HD21      LEU  66 -13.198  11.815  -2.123
  546   HD22  LEU  66          HD22      LEU  66 -11.649  11.201  -1.539
  547   HD23  LEU  66          HD23      LEU  66 -13.071  10.131  -1.596
  548    H    GLY  67           H        GLY  67 -10.800   7.956   1.447
  549    HA2  GLY  67           HA2      GLY  67  -9.581   7.338   3.759
  550    HA3  GLY  67           HA3      GLY  67 -11.306   7.325   4.208
  551    H    MET  68           H        MET  68 -10.422   5.002   4.508
  552    HA   MET  68           HA       MET  68 -10.203   3.262   2.205
  553    HB2  MET  68           HB2      MET  68 -11.006   2.680   5.088
  554    HB3  MET  68           HB3      MET  68 -10.770   1.447   3.850
  555    HG2  MET  68           HG2      MET  68  -8.608   3.384   4.739
  556    HG3  MET  68           HG3      MET  68  -8.826   1.774   5.410
  557    HE1  MET  68           HE1      MET  68  -8.099  -0.436   4.343
  558    HE2  MET  68           HE2      MET  68  -9.325  -0.235   3.062
  559    HE3  MET  68           HE3      MET  68  -7.650  -0.637   2.639
  560    H    ALA  69           H        ALA  69 -11.730   1.897   1.321
  561    HA   ALA  69           HA       ALA  69 -14.414   2.927   1.019
  562    HB1  ALA  69           HB1      ALA  69 -14.659   0.951  -0.445
  563    HB2  ALA  69           HB2      ALA  69 -13.115   1.744  -0.763
  564    HB3  ALA  69           HB3      ALA  69 -13.176   0.259   0.228
  565    HA   PRO  70           HA       PRO  70 -16.671   0.622   4.131
  566    HB2  PRO  70           HB2      PRO  70 -18.085  -0.813   1.871
  567    HB3  PRO  70           HB3      PRO  70 -18.786  -0.087   3.354
  568    HG2  PRO  70           HG2      PRO  70 -18.932   1.246   1.006
  569    HG3  PRO  70           HG3      PRO  70 -18.470   2.131   2.498
  570    HD2  PRO  70           HD2      PRO  70 -16.682   1.054   0.316
  571    HD3  PRO  70           HD3      PRO  70 -16.623   2.647   1.131
  572    H    ASP  71           H        ASP  71 -16.813  -1.449   5.143
  573    HA   ASP  71           HA       ASP  71 -14.735  -3.278   4.672
  574    HB2  ASP  71           HB2      ASP  71 -15.589  -4.538   6.407
  575    HB3  ASP  71           HB3      ASP  71 -16.108  -2.909   6.811
  576    H    ASP  72           H        ASP  72 -17.998  -3.149   3.304
  577    HA   ASP  72           HA       ASP  72 -18.148  -5.829   2.356
  578    HB2  ASP  72           HB2      ASP  72 -20.084  -4.311   2.492
  579    HB3  ASP  72           HB3      ASP  72 -19.387  -3.293   1.227
  580    H    GLU  73           H        GLU  73 -16.448  -3.008   1.127
  581    HA   GLU  73           HA       GLU  73 -15.751  -4.313  -1.447
  582    HB2  GLU  73           HB2      GLU  73 -14.724  -1.728  -0.181
  583    HB3  GLU  73           HB3      GLU  73 -14.371  -2.301  -1.801
  584    HG2  GLU  73           HG2      GLU  73 -17.068  -1.385  -0.731
  585    HG3  GLU  73           HG3      GLU  73 -16.030  -0.528  -1.861
  586    H    CYS  74           H        CYS  74 -14.319  -3.338   1.701
  587    HA   CYS  74           HA       CYS  74 -11.742  -4.296   0.989
  588    HB2  CYS  74           HB2      CYS  74 -12.773  -3.489   3.721
  589    HB3  CYS  74           HB3      CYS  74 -11.079  -3.711   3.245
  590    HG   CYS  74           HG       CYS  74 -13.332  -1.530   2.230
  591    H    LEU  75           H        LEU  75 -14.234  -6.211   1.493
  592    HA   LEU  75           HA       LEU  75 -12.876  -8.395   2.953
  593    HB2  LEU  75           HB2      LEU  75 -15.576  -7.958   1.647
  594    HB3  LEU  75           HB3      LEU  75 -15.023  -9.606   1.888
  595    HG   LEU  75           HG       LEU  75 -15.126  -7.630   4.190
  596   HD11  LEU  75          HD11      LEU  75 -17.266  -9.597   3.287
  597   HD12  LEU  75          HD12      LEU  75 -17.286  -8.635   4.787
  598   HD13  LEU  75          HD13      LEU  75 -17.358  -7.822   3.217
  599   HD21  LEU  75          HD21      LEU  75 -15.096 -10.678   4.098
  600   HD22  LEU  75          HD22      LEU  75 -13.715  -9.655   4.539
  601   HD23  LEU  75          HD23      LEU  75 -15.154  -9.674   5.561
  602    H    LYS  76           H        LYS  76 -12.932  -7.051  -0.201
  603    HA   LYS  76           HA       LYS  76 -12.390  -9.672  -1.525
  604    HB2  LYS  76           HB2      LYS  76 -13.240  -7.005  -2.732
  605    HB3  LYS  76           HB3      LYS  76 -13.105  -8.553  -3.568
  606    HG2  LYS  76           HG2      LYS  76 -14.940  -9.478  -2.168
  607    HG3  LYS  76           HG3      LYS  76 -15.074  -7.930  -1.311
  608    HD2  LYS  76           HD2      LYS  76 -15.607  -6.793  -3.462
  609    HD3  LYS  76           HD3      LYS  76 -15.574  -8.374  -4.280
  610    HE2  LYS  76           HE2      LYS  76 -17.369  -9.180  -2.745
  611    HE3  LYS  76           HE3      LYS  76 -17.395  -7.600  -1.950
  612    HZ1  LYS  76           HZ1      LYS  76 -18.081  -8.088  -4.793
  613    HZ2  LYS  76           HZ2      LYS  76 -19.146  -7.793  -3.598
  614    HZ3  LYS  76           HZ3      LYS  76 -18.107  -6.626  -4.058
  615    H    ASP  77           H        ASP  77 -11.279  -6.264  -1.281
  616    HA   ASP  77           HA       ASP  77  -8.506  -6.971  -1.495
  617    HB2  ASP  77           HB2      ASP  77  -9.208  -7.030  -3.949
  618    HB3  ASP  77           HB3      ASP  77  -9.686  -5.342  -3.792
  619    H    MET  78           H        MET  78  -7.226  -4.711  -1.314
  620    HA   MET  78           HA       MET  78  -8.800  -3.097   0.587
  621    HB2  MET  78           HB2      MET  78  -5.932  -2.850  -0.385
  622    HB3  MET  78           HB3      MET  78  -6.679  -1.791   0.814
  623    HG2  MET  78           HG2      MET  78  -6.283  -4.786   1.092
  624    HG3  MET  78           HG3      MET  78  -5.339  -3.529   1.872
  625    HE1  MET  78           HE1      MET  78  -8.994  -5.603   3.420
  626    HE2  MET  78           HE2      MET  78  -8.889  -5.288   1.679
  627    HE3  MET  78           HE3      MET  78  -7.591  -6.182   2.508
  628    H    TYR  79           H        TYR  79  -9.869  -1.253   0.110
  629    HA   TYR  79           HA       TYR  79  -9.305   0.168  -2.444
  630    HB2  TYR  79           HB2      TYR  79 -11.973  -0.790  -1.335
  631    HB3  TYR  79           HB3      TYR  79 -11.839   0.446  -2.565
  632    HD1  TYR  79           HD1      TYR  79 -10.812  -0.132  -4.828
  633    HD2  TYR  79           HD2      TYR  79 -12.030  -3.089  -1.939
  634    HE1  TYR  79           HE1      TYR  79 -10.976  -1.820  -6.632
  635    HE2  TYR  79           HE2      TYR  79 -12.208  -4.778  -3.722
  636    HH   TYR  79           HH       TYR  79 -11.972  -5.218  -6.010
  637    H    VAL  80           H        VAL  80 -10.043   2.316  -2.477
  638    HA   VAL  80           HA       VAL  80 -10.603   3.654   0.111
  639    HB   VAL  80           HB       VAL  80  -8.928   5.416  -0.758
  640   HG11  VAL  80          HG11      VAL  80  -7.019   4.363   0.382
  641   HG12  VAL  80          HG12      VAL  80  -8.514   4.193   1.286
  642   HG13  VAL  80          HG13      VAL  80  -7.878   2.802   0.375
  643   HG21  VAL  80          HG21      VAL  80  -7.002   4.639  -2.007
  644   HG22  VAL  80          HG22      VAL  80  -7.700   3.016  -2.186
  645   HG23  VAL  80          HG23      VAL  80  -8.462   4.409  -2.982
  646    H    GLU  81           H        GLU  81 -11.776   5.525  -0.107
  647    HA   GLU  81           HA       GLU  81 -13.167   5.955  -2.689
  648    HB2  GLU  81           HB2      GLU  81 -13.503   7.191   0.082
  649    HB3  GLU  81           HB3      GLU  81 -14.405   7.692  -1.358
  650    HG2  GLU  81           HG2      GLU  81 -15.260   5.348  -1.602
  651    HG3  GLU  81           HG3      GLU  81 -14.451   4.918  -0.095
  652    H    VAL  82           H        VAL  82 -12.641   7.697  -3.998
  653    HA   VAL  82           HA       VAL  82 -10.625   9.630  -3.019
  654    HB   VAL  82           HB       VAL  82  -9.199   9.305  -4.907
  655   HG11  VAL  82          HG11      VAL  82  -8.176   7.205  -4.414
  656   HG12  VAL  82          HG12      VAL  82  -8.863   7.824  -2.903
  657   HG13  VAL  82          HG13      VAL  82  -9.690   6.529  -3.783
  658   HG21  VAL  82          HG21      VAL  82 -10.763   8.624  -6.663
  659   HG22  VAL  82          HG22      VAL  82  -9.444   7.465  -6.531
  660   HG23  VAL  82          HG23      VAL  82 -11.037   7.065  -5.849
  661    H    ALA  83           H        ALA  83 -10.543  11.621  -4.235
  662    HA   ALA  83           HA       ALA  83 -12.826  12.076  -6.118
  663    HB1  ALA  83           HB1      ALA  83 -13.349  13.162  -3.990
  664    HB2  ALA  83           HB2      ALA  83 -11.747  13.942  -3.961
  665    HB3  ALA  83           HB3      ALA  83 -12.937  14.379  -5.206
  666    H    ASP  84           H        ASP  84 -12.268  13.161  -7.958
  667    HA   ASP  84           HA       ASP  84  -9.424  13.012  -8.599
  668    HB2  ASP  84           HB2      ASP  84 -10.982  12.042 -10.135
  669    HB3  ASP  84           HB3      ASP  84 -11.926  13.534 -10.215
  670    H    ILE  85           H        ILE  85  -8.419  14.683  -7.547
  671    HA   ILE  85           HA       ILE  85  -9.050  17.448  -7.722
  672    HB   ILE  85           HB       ILE  85  -6.258  16.284  -7.602
  673   HG12  ILE  85          HG12      ILE  85  -8.069  16.833  -5.201
  674   HG13  ILE  85          HG13      ILE  85  -7.703  15.234  -5.826
  675   HG21  ILE  85          HG21      ILE  85  -7.376  18.844  -6.378
  676   HG22  ILE  85          HG22      ILE  85  -5.674  18.342  -6.411
  677   HG23  ILE  85          HG23      ILE  85  -6.463  18.788  -7.904
  678   HD11  ILE  85          HD11      ILE  85  -6.235  15.615  -3.959
  679   HD12  ILE  85          HD12      ILE  85  -5.256  15.658  -5.429
  680   HD13  ILE  85          HD13      ILE  85  -5.703  17.163  -4.585
  681    H    GLY  86           H        GLY  86  -7.635  15.194 -10.063
  682    HA2  GLY  86           HA2      GLY  86  -6.397  16.943 -11.884
  683    HA3  GLY  86           HA3      GLY  86  -7.152  15.386 -12.257
  684    H    GLY  87           H        GLY  87  -9.890  16.478 -11.259
  685    HA2  GLY  87           HA2      GLY  87 -10.540  18.892 -12.458
  686    HA3  GLY  87           HA3      GLY  87 -10.817  17.675 -13.714
  687    H    LYS  88           H        LYS  88 -11.814  15.504 -12.184
  688    HA   LYS  88           HA       LYS  88 -14.546  16.539 -11.831
  689    HB2  LYS  88           HB2      LYS  88 -13.526  13.670 -11.811
  690    HB3  LYS  88           HB3      LYS  88 -15.207  14.186 -11.870
  691    HG2  LYS  88           HG2      LYS  88 -13.125  14.650 -14.046
  692    HG3  LYS  88           HG3      LYS  88 -14.412  13.446 -14.053
  693    HD2  LYS  88           HD2      LYS  88 -16.113  15.282 -13.990
  694    HD3  LYS  88           HD3      LYS  88 -14.794  16.473 -14.096
  695    HE2  LYS  88           HE2      LYS  88 -14.053  15.463 -16.238
  696    HE3  LYS  88           HE3      LYS  88 -15.362  14.280 -16.138
  697    HZ1  LYS  88           HZ1      LYS  88 -15.952  16.129 -17.566
  698    HZ2  LYS  88           HZ2      LYS  88 -16.944  16.116 -16.276
  699    HZ3  LYS  88           HZ3      LYS  88 -15.733  17.212 -16.370
  700    H    ASP  89           H        ASP  89 -12.899  17.470  -9.809
  701    HA   ASP  89           HA       ASP  89 -12.911  15.952  -7.405
  702    HB2  ASP  89           HB2      ASP  89 -11.488  17.910  -7.765
  703    HB3  ASP  89           HB3      ASP  89 -12.904  18.951  -7.906
  704    H    ASP  90           H        ASP  90 -15.434  17.696  -9.040
  705    HA   ASP  90           HA       ASP  90 -17.271  18.131  -6.898
  706    HB2  ASP  90           HB2      ASP  90 -17.338  19.255  -9.105
  707    HB3  ASP  90           HB3      ASP  90 -17.723  17.717  -9.878
  708    H    ASP  91           H        ASP  91 -16.159  15.147  -8.174
  709    HA   ASP  91           HA       ASP  91 -18.520  13.700  -7.128
  710    HB2  ASP  91           HB2      ASP  91 -18.671  13.909  -9.638
  711    HB3  ASP  91           HB3      ASP  91 -17.132  13.050  -9.754
  712    H    VAL  92           H        VAL  92 -17.886  11.295  -6.896
  713    HA   VAL  92           HA       VAL  92 -15.091  11.060  -5.917
  714    HB   VAL  92           HB       VAL  92 -17.549  10.247  -4.338
  715   HG11  VAL  92          HG11      VAL  92 -15.981  10.026  -2.437
  716   HG12  VAL  92          HG12      VAL  92 -15.554   8.935  -3.751
  717   HG13  VAL  92          HG13      VAL  92 -14.631  10.434  -3.513
  718   HG21  VAL  92          HG21      VAL  92 -16.991  12.126  -2.773
  719   HG22  VAL  92          HG22      VAL  92 -15.804  12.719  -3.955
  720   HG23  VAL  92          HG23      VAL  92 -17.538  12.694  -4.345
  721    H    TYR  93           H        TYR  93 -14.356   8.992  -5.861
  722    HA   TYR  93           HA       TYR  93 -15.756   6.878  -7.415
  723    HB2  TYR  93           HB2      TYR  93 -12.907   7.912  -7.787
  724    HB3  TYR  93           HB3      TYR  93 -13.683   6.650  -8.727
  725    HD1  TYR  93           HD1      TYR  93 -15.413   7.188 -10.416
  726    HD2  TYR  93           HD2      TYR  93 -13.386  10.290  -8.200
  727    HE1  TYR  93           HE1      TYR  93 -16.217   8.867 -12.044
  728    HE2  TYR  93           HE2      TYR  93 -14.211  11.987  -9.815
  729    HH   TYR  93           HH       TYR  93 -16.251  11.105 -12.645
  730    H    THR  94           H        THR  94 -13.984   4.952  -7.408
  731    HA   THR  94           HA       THR  94 -12.801   4.678  -4.693
  732    HB   THR  94           HB       THR  94 -14.223   2.375  -6.055
  733    HG1  THR  94           HG1      THR  94 -15.779   3.931  -5.583
  734   HG21  THR  94          HG21      THR  94 -14.207   1.404  -3.796
  735   HG22  THR  94          HG22      THR  94 -12.562   1.810  -4.307
  736   HG23  THR  94          HG23      THR  94 -13.414   2.860  -3.152
  737    H    ALA  95           H        ALA  95 -10.813   3.786  -4.711
  738    HA   ALA  95           HA       ALA  95  -9.679   2.724  -7.259
  739    HB1  ALA  95           HB1      ALA  95  -8.390   4.693  -5.303
  740    HB2  ALA  95           HB2      ALA  95  -7.579   3.933  -6.682
  741    HB3  ALA  95           HB3      ALA  95  -8.923   5.061  -6.957
  742    H    LYS  96           H        LYS  96  -7.878   1.234  -6.833
  743    HA   LYS  96           HA       LYS  96  -8.186  -0.356  -4.385
  744    HB2  LYS  96           HB2      LYS  96  -6.178  -0.426  -6.685
  745    HB3  LYS  96           HB3      LYS  96  -6.202  -1.557  -5.328
  746    HG2  LYS  96           HG2      LYS  96  -8.329  -2.451  -5.938
  747    HG3  LYS  96           HG3      LYS  96  -8.597  -1.224  -7.185
  748    HD2  LYS  96           HD2      LYS  96  -6.186  -3.058  -7.281
  749    HD3  LYS  96           HD3      LYS  96  -7.755  -3.586  -7.911
  750    HE2  LYS  96           HE2      LYS  96  -7.775  -2.071  -9.656
  751    HE3  LYS  96           HE3      LYS  96  -6.749  -0.904  -8.818
  752    HZ1  LYS  96           HZ1      LYS  96  -5.694  -3.461  -9.856
  753    HZ2  LYS  96           HZ2      LYS  96  -5.639  -2.034 -10.666
  754    HZ3  LYS  96           HZ3      LYS  96  -4.851  -2.155  -9.257
  755    H    LEU  97           H        LEU  97  -6.863  -0.149  -2.608
  756    HA   LEU  97           HA       LEU  97  -5.168   2.155  -2.208
  757    HB2  LEU  97           HB2      LEU  97  -6.218   0.772  -0.372
  758    HB3  LEU  97           HB3      LEU  97  -5.132  -0.552  -0.808
  759    HG   LEU  97           HG       LEU  97  -3.162   0.922  -0.231
  760   HD11  LEU  97          HD11      LEU  97  -3.637   2.931   1.196
  761   HD12  LEU  97          HD12      LEU  97  -4.156   3.162  -0.477
  762   HD13  LEU  97          HD13      LEU  97  -5.348   2.790   0.794
  763   HD21  LEU  97          HD21      LEU  97  -3.449   0.715   2.189
  764   HD22  LEU  97          HD22      LEU  97  -5.206   0.524   1.987
  765   HD23  LEU  97          HD23      LEU  97  -4.088  -0.709   1.358
  766    H    SER  98           H        SER  98  -4.753  -1.056  -3.536
  767    HA   SER  98           HA       SER  98  -1.998  -1.443  -3.683
  768    HB2  SER  98           HB2      SER  98  -4.037  -2.161  -5.816
  769    HB3  SER  98           HB3      SER  98  -2.650  -3.105  -5.274
  770    HG   SER  98           HG       SER  98  -4.763  -3.792  -4.426
  771    H    ASP  99           H        ASP  99  -4.003   0.787  -5.435
  772    HA   ASP  99           HA       ASP  99  -1.946   1.255  -7.545
  773    HB2  ASP  99           HB2      ASP  99  -4.974   1.572  -7.534
  774    HB3  ASP  99           HB3      ASP  99  -3.946   2.326  -8.738
  775    H    ILE 100           H        ILE 100  -2.494   2.485  -4.612
  776    HA   ILE 100           HA       ILE 100  -2.569   5.331  -5.504
  777    HB   ILE 100           HB       ILE 100  -3.741   3.892  -3.161
  778   HG12  ILE 100          HG12      ILE 100  -4.894   4.665  -5.322
  779   HG13  ILE 100          HG13      ILE 100  -5.686   5.006  -3.787
  780   HG21  ILE 100          HG21      ILE 100  -2.407   5.469  -1.913
  781   HG22  ILE 100          HG22      ILE 100  -2.928   6.821  -2.942
  782   HG23  ILE 100          HG23      ILE 100  -4.095   5.983  -1.895
  783   HD11  ILE 100          HD11      ILE 100  -5.822   6.837  -5.449
  784   HD12  ILE 100          HD12      ILE 100  -5.106   7.338  -3.910
  785   HD13  ILE 100          HD13      ILE 100  -4.064   7.059  -5.321
  786    H    GLU 101           H        GLU 101  -1.172   6.716  -4.812
  787    HA   GLU 101           HA       GLU 101   1.241   5.843  -3.296
  788    HB2  GLU 101           HB2      GLU 101   1.533   5.784  -5.803
  789    HB3  GLU 101           HB3      GLU 101   1.092   7.484  -5.866
  790    HG2  GLU 101           HG2      GLU 101   3.426   7.496  -5.960
  791    HG3  GLU 101           HG3      GLU 101   3.085   7.922  -4.286
  792    H    ALA 102           H        ALA 102   0.813   7.028  -1.411
  793    HA   ALA 102           HA       ALA 102  -0.659   9.506  -1.434
  794    HB1  ALA 102           HB1      ALA 102   0.008   9.685   0.916
  795    HB2  ALA 102           HB2      ALA 102  -0.631   8.093   0.561
  796    HB3  ALA 102           HB3      ALA 102   1.130   8.313   0.721
  797    H    ILE 103           H        ILE 103   0.036  11.600  -1.119
  798    HA   ILE 103           HA       ILE 103   2.892  12.168  -1.799
  799    HB   ILE 103           HB       ILE 103   0.345  13.698  -2.436
  800   HG12  ILE 103          HG12      ILE 103   2.294  12.443  -4.424
  801   HG13  ILE 103          HG13      ILE 103   0.869  11.595  -3.854
  802   HG21  ILE 103          HG21      ILE 103   2.246  15.240  -2.002
  803   HG22  ILE 103          HG22      ILE 103   3.234  14.350  -3.179
  804   HG23  ILE 103          HG23      ILE 103   1.797  15.258  -3.701
  805   HD11  ILE 103          HD11      ILE 103  -0.581  13.452  -4.692
  806   HD12  ILE 103          HD12      ILE 103   0.861  14.200  -5.422
  807   HD13  ILE 103          HD13      ILE 103   0.322  12.606  -5.954
  808    H    ASP 104           H        ASP 104   4.014  13.281  -0.390
  809    HA   ASP 104           HA       ASP 104   4.658  14.283   1.506
  810    HB2  ASP 104           HB2      ASP 104   4.080  16.102  -0.038
  811    HB3  ASP 104           HB3      ASP 104   2.470  16.202   0.679
  812    H    VAL 105           H        VAL 105   3.100  12.159   2.248
  813    HA   VAL 105           HA       VAL 105   1.105  13.159   4.182
  814    HB   VAL 105           HB       VAL 105   0.685  11.440   2.303
  815   HG11  VAL 105          HG11      VAL 105   2.459   9.832   2.673
  816   HG12  VAL 105          HG12      VAL 105   1.906   9.549   4.331
  817   HG13  VAL 105          HG13      VAL 105   0.892   9.061   2.992
  818   HG21  VAL 105          HG21      VAL 105  -1.098  10.478   3.489
  819   HG22  VAL 105          HG22      VAL 105  -0.356  10.847   5.068
  820   HG23  VAL 105          HG23      VAL 105  -0.904  12.154   4.011
  821    H    ASP 106           H        ASP 106   0.909  11.684   6.243
  822    HA   ASP 106           HA       ASP 106   3.299  12.073   7.773
  823    HB2  ASP 106           HB2      ASP 106   0.860  12.068   8.622
  824    HB3  ASP 106           HB3      ASP 106   0.978  10.296   8.535
  825    H    ASP 107           H        ASP 107   4.170  10.266   9.116
  826    HA   ASP 107           HA       ASP 107   5.482   8.321   7.381
  827    HB2  ASP 107           HB2      ASP 107   6.676   9.347   9.256
  828    HB3  ASP 107           HB3      ASP 107   5.484   8.720  10.397
  829    H    ASP 108           H        ASP 108   2.836   8.254   9.828
  830    HA   ASP 108           HA       ASP 108   2.669   5.362   9.833
  831    HB2  ASP 108           HB2      ASP 108   0.789   7.563  10.738
  832    HB3  ASP 108           HB3      ASP 108   0.279   5.880  10.688
  833    H    THR 109           H        THR 109   0.730   7.913   8.080
  834    HA   THR 109           HA       THR 109  -0.881   6.102   6.663
  835    HB   THR 109           HB       THR 109   0.107   8.829   5.730
  836    HG1  THR 109           HG1      THR 109  -1.418   9.682   7.080
  837   HG21  THR 109          HG21      THR 109  -2.163   9.036   4.769
  838   HG22  THR 109          HG22      THR 109  -1.330   7.636   4.071
  839   HG23  THR 109          HG23      THR 109  -2.576   7.435   5.338
  840    H    GLN 110           H        GLN 110   2.378   7.421   5.838
  841    HA   GLN 110           HA       GLN 110   2.524   6.148   3.304
  842    HB2  GLN 110           HB2      GLN 110   4.013   8.007   4.437
  843    HB3  GLN 110           HB3      GLN 110   4.967   6.652   5.033
  844    HG2  GLN 110           HG2      GLN 110   4.310   7.332   2.128
  845    HG3  GLN 110           HG3      GLN 110   5.845   7.630   2.931
  846   HE21  GLN 110          HE22      GLN 110   4.183   5.442   0.942
  847   HE22  GLN 110          HE21      GLN 110   5.183   4.034   1.195
  848    H    GLU 111           H        GLU 111   3.530   5.015   6.608
  849    HA   GLU 111           HA       GLU 111   4.696   2.589   5.751
  850    HB2  GLU 111           HB2      GLU 111   3.495   3.583   8.347
  851    HB3  GLU 111           HB3      GLU 111   3.944   1.891   8.204
  852    HG2  GLU 111           HG2      GLU 111   5.890   4.097   7.472
  853    HG3  GLU 111           HG3      GLU 111   5.689   3.530   9.133
  854    H    ALA 112           H        ALA 112   1.276   3.289   6.588
  855    HA   ALA 112           HA       ALA 112   0.333   0.611   6.430
  856    HB1  ALA 112           HB1      ALA 112  -1.012   2.555   7.230
  857    HB2  ALA 112           HB2      ALA 112  -1.079   3.179   5.578
  858    HB3  ALA 112           HB3      ALA 112  -1.862   1.634   5.972
  859    H    ILE 113           H        ILE 113   0.758   3.107   3.908
  860    HA   ILE 113           HA       ILE 113  -0.313   1.525   1.761
  861    HB   ILE 113           HB       ILE 113   1.319   4.065   1.981
  862   HG12  ILE 113          HG12      ILE 113  -1.513   3.674   0.945
  863   HG13  ILE 113          HG13      ILE 113  -1.189   3.803   2.672
  864   HG21  ILE 113          HG21      ILE 113   0.287   2.802  -0.591
  865   HG22  ILE 113          HG22      ILE 113   0.872   4.474  -0.441
  866   HG23  ILE 113          HG23      ILE 113   1.981   3.134  -0.154
  867   HD11  ILE 113          HD11      ILE 113  -0.061   5.997   2.280
  868   HD12  ILE 113          HD12      ILE 113  -0.634   5.904   0.589
  869   HD13  ILE 113          HD13      ILE 113  -1.796   5.964   1.939
  870    H    ALA 114           H        ALA 114   3.061   2.255   2.806
  871    HA   ALA 114           HA       ALA 114   4.389   0.767   0.820
  872    HB1  ALA 114           HB1      ALA 114   5.538   2.333   2.357
  873    HB2  ALA 114           HB2      ALA 114   5.205   1.250   3.726
  874    HB3  ALA 114           HB3      ALA 114   6.277   0.722   2.415
  875    H    ASP 115           H        ASP 115   3.232  -0.251   4.083
  876    HA   ASP 115           HA       ASP 115   4.194  -2.917   3.900
  877    HB2  ASP 115           HB2      ASP 115   3.465  -1.724   5.977
  878    HB3  ASP 115           HB3      ASP 115   1.786  -1.956   5.475
  879    H    TRP 116           H        TRP 116   1.078  -1.449   2.901
  880    HA   TRP 116           HA       TRP 116  -0.145  -3.929   2.134
  881    HB2  TRP 116           HB2      TRP 116  -1.446  -1.858   2.468
  882    HB3  TRP 116           HB3      TRP 116  -0.633  -1.105   1.099
  883    HD1  TRP 116           HD1      TRP 116  -1.948  -1.248  -1.078
  884    HE1  TRP 116           HE1      TRP 116  -3.568  -2.898  -2.204
  885    HE3  TRP 116           HE3      TRP 116  -2.284  -4.737   2.662
  886    HZ2  TRP 116           HZ2      TRP 116  -4.683  -5.492  -1.631
  887    HZ3  TRP 116           HZ3      TRP 116  -3.625  -6.790   2.338
  888    HH2  TRP 116           HH2      TRP 116  -4.805  -7.196   0.191
  889    H    LEU 117           H        LEU 117   1.883  -1.530   0.352
  890    HA   LEU 117           HA       LEU 117   1.655  -2.855  -2.166
  891    HB2  LEU 117           HB2      LEU 117   3.698  -0.914  -1.033
  892    HB3  LEU 117           HB3      LEU 117   3.792  -1.521  -2.681
  893    HG   LEU 117           HG       LEU 117   1.327  -0.072  -1.618
  894   HD11  LEU 117          HD11      LEU 117   3.679   1.068  -3.183
  895   HD12  LEU 117          HD12      LEU 117   2.177   1.926  -2.763
  896   HD13  LEU 117          HD13      LEU 117   3.285   1.410  -1.484
  897   HD21  LEU 117          HD21      LEU 117   0.848   0.290  -4.016
  898   HD22  LEU 117          HD22      LEU 117   2.258  -0.700  -4.450
  899   HD23  LEU 117          HD23      LEU 117   0.869  -1.425  -3.612
  900    H    TYR 118           H        TYR 118   3.964  -3.326   0.559
  901    HA   TYR 118           HA       TYR 118   5.680  -5.147  -0.807
  902    HB2  TYR 118           HB2      TYR 118   4.795  -5.354   2.098
  903    HB3  TYR 118           HB3      TYR 118   6.226  -6.056   1.390
  904    HD1  TYR 118           HD2      TYR 118   7.035  -3.330  -0.143
  905    HD2  TYR 118           HD1      TYR 118   5.936  -4.377   3.898
  906    HE1  TYR 118           HE2      TYR 118   8.432  -1.499   0.699
  907    HE2  TYR 118           HE1      TYR 118   7.203  -2.441   4.746
  908    HH   TYR 118           HH       TYR 118   9.167  -0.323   2.619
  909    H    TRP 119           H        TRP 119   2.633  -5.674   1.056
  910    HA   TRP 119           HA       TRP 119   2.637  -8.522   0.835
  911    HB2  TRP 119           HB2      TRP 119   1.511  -7.283   2.583
  912    HB3  TRP 119           HB3      TRP 119   0.538  -6.404   1.416
  913    HD1  TRP 119           HD1      TRP 119  -1.558  -7.493   0.467
  914    HE1  TRP 119           HE1      TRP 119  -2.993  -9.495   1.192
  915    HE3  TRP 119           HE3      TRP 119   1.891  -9.918   3.363
  916    HZ2  TRP 119           HZ2      TRP 119  -2.654 -11.870   2.831
  917    HZ3  TRP 119           HZ3      TRP 119   1.324 -12.063   4.472
  918    HH2  TRP 119           HH2      TRP 119  -0.945 -13.045   4.221
  919    H    LEU 120           H        LEU 120   1.139  -5.877  -1.090
  920    HA   LEU 120           HA       LEU 120  -0.304  -7.391  -2.872
  921    HB2  LEU 120           HB2      LEU 120   0.034  -4.782  -2.502
  922    HB3  LEU 120           HB3      LEU 120   1.319  -4.913  -3.672
  923    HG   LEU 120           HG       LEU 120  -0.569  -4.099  -4.774
  924   HD11  LEU 120          HD11      LEU 120  -1.132  -5.702  -6.490
  925   HD12  LEU 120          HD12      LEU 120   0.593  -5.801  -6.105
  926   HD13  LEU 120          HD13      LEU 120  -0.524  -7.045  -5.506
  927   HD21  LEU 120          HD21      LEU 120  -2.120  -6.248  -3.307
  928   HD22  LEU 120          HD22      LEU 120  -2.265  -4.503  -3.228
  929   HD23  LEU 120          HD23      LEU 120  -2.791  -5.342  -4.689
  930    H    ALA 121           H        ALA 121   3.087  -6.183  -3.210
  931    HA   ALA 121           HA       ALA 121   3.643  -7.415  -5.688
  932    HB1  ALA 121           HB1      ALA 121   5.987  -6.818  -5.161
  933    HB2  ALA 121           HB2      ALA 121   4.883  -5.487  -4.764
  934    HB3  ALA 121           HB3      ALA 121   5.536  -6.518  -3.469
  935    H    ARG 122           H        ARG 122   3.697  -8.778  -2.453
  936    HA   ARG 122           HA       ARG 122   5.560 -10.918  -3.052
  937    HB2  ARG 122           HB2      ARG 122   3.650 -10.267  -0.787
  938    HB3  ARG 122           HB3      ARG 122   4.429 -11.854  -0.842
  939    HG2  ARG 122           HG2      ARG 122   6.603 -10.947  -0.655
  940    HG3  ARG 122           HG3      ARG 122   6.061  -9.346  -1.144
  941    HD2  ARG 122           HD2      ARG 122   6.499  -9.212   1.160
  942    HD3  ARG 122           HD3      ARG 122   4.741  -9.181   1.000
  943    HE   ARG 122           HE       ARG 122   5.323 -11.849   1.407
  944   HH11  ARG 122          HH11      ARG 122   5.999  -8.846   3.185
  945   HH12  ARG 122          HH12      ARG 122   6.448  -9.657   4.657
  946   HH21  ARG 122          HH21      ARG 122   5.780 -12.903   3.451
  947   HH22  ARG 122          HH22      ARG 122   6.298 -11.943   4.810
  948    H    GLY 123           H        GLY 123   2.310 -10.429  -4.070
  949    HA2  GLY 123           HA2      GLY 123   1.082 -11.859  -5.428
  950    HA3  GLY 123           HA3      GLY 123   2.184 -13.196  -5.066
  951    H    TYR 124           H        TYR 124   0.385 -11.051  -2.862
  952    HA   TYR 124           HA       TYR 124  -0.596 -12.903  -1.052
  953    HB2  TYR 124           HB2      TYR 124  -1.996 -11.191  -0.302
  954    HB3  TYR 124           HB3      TYR 124  -0.532 -10.404  -0.835
  955    HD1  TYR 124           HD1      TYR 124  -0.832  -9.789  -3.665
  956    HD2  TYR 124           HD2      TYR 124  -3.883  -9.903  -0.629
  957    HE1  TYR 124           HE1      TYR 124  -2.246  -8.344  -5.030
  958    HE2  TYR 124           HE2      TYR 124  -5.277  -8.377  -1.951
  959    HH   TYR 124           HH       TYR 124  -5.407  -7.058  -3.843
  960    H    LYS 125           H        LYS 125  -2.919 -13.290  -0.544
  961    HA   LYS 125           HA       LYS 125  -4.558 -14.001  -2.943
  962    HB2  LYS 125           HB2      LYS 125  -4.347 -15.450  -0.271
  963    HB3  LYS 125           HB3      LYS 125  -5.381 -15.923  -1.606
  964    HG2  LYS 125           HG2      LYS 125  -2.333 -15.914  -1.594
  965    HG3  LYS 125           HG3      LYS 125  -3.365 -17.325  -1.428
  966    HD2  LYS 125           HD2      LYS 125  -3.146 -15.577  -3.919
  967    HD3  LYS 125           HD3      LYS 125  -2.407 -17.161  -3.678
  968    HE2  LYS 125           HE2      LYS 125  -4.671 -18.175  -3.412
  969    HE3  LYS 125           HE3      LYS 125  -5.406 -16.594  -3.708
  970    HZ1  LYS 125           HZ1      LYS 125  -4.404 -16.617  -5.921
  971    HZ2  LYS 125           HZ2      LYS 125  -3.730 -18.081  -5.646
  972    HZ3  LYS 125           HZ3      LYS 125  -5.348 -17.927  -5.713
  973    H    PHE 126           H        PHE 126  -4.508 -12.287   0.158
  974    HA   PHE 126           HA       PHE 126  -7.271 -11.457  -0.134
  975    HB2  PHE 126           HB2      PHE 126  -7.489 -12.214   2.434
  976    HB3  PHE 126           HB3      PHE 126  -8.016 -13.205   1.096
  977    HD1  PHE 126           HD1      PHE 126  -4.749 -12.632   2.912
  978    HD2  PHE 126           HD2      PHE 126  -7.535 -15.479   1.283
  979    HE1  PHE 126           HE1      PHE 126  -3.243 -14.478   3.577
  980    HE2  PHE 126           HE2      PHE 126  -6.075 -17.334   2.029
  981    HZ   PHE 126           HZ       PHE 126  -3.915 -16.848   3.162
  Start of MODEL   11
    1    H1   MET   1           H1       MET   1   9.740 -13.973  -9.295
    2    H2   MET   1           H2       MET   1   8.729 -12.800  -8.760
    3    H3   MET   1           H3       MET   1  10.130 -12.392  -9.498
    4    HA   MET   1           HA       MET   1   9.884 -13.765  -6.914
    5    HB2  MET   1           HB2      MET   1  11.884 -14.499  -8.147
    6    HB3  MET   1           HB3      MET   1  12.397 -12.821  -8.369
    7    HG2  MET   1           HG2      MET   1  12.628 -12.556  -5.929
    8    HG3  MET   1           HG3      MET   1  12.041 -14.206  -5.678
    9    HE1  MET   1           HE1      MET   1  15.819 -14.331  -4.604
   10    HE2  MET   1           HE2      MET   1  14.705 -12.958  -4.422
   11    HE3  MET   1           HE3      MET   1  14.138 -14.614  -4.103
   12    H    ALA   2           H        ALA   2   9.163 -12.368  -5.383
   13    HA   ALA   2           HA       ALA   2   9.344  -9.470  -5.678
   14    HB1  ALA   2           HB1      ALA   2   8.652 -11.160  -3.232
   15    HB2  ALA   2           HB2      ALA   2   8.326  -9.432  -3.462
   16    HB3  ALA   2           HB3      ALA   2   7.477 -10.630  -4.459
   17    H    SER   3           H        SER   3  10.769  -8.111  -4.551
   18    HA   SER   3           HA       SER   3  12.966  -9.327  -2.959
   19    HB2  SER   3           HB2      SER   3  13.334  -7.352  -5.253
   20    HB3  SER   3           HB3      SER   3  14.612  -8.091  -4.275
   21    HG   SER   3           HG       SER   3  14.336  -9.122  -6.302
   22    H    VAL   4           H        VAL   4  10.537  -7.682  -2.272
   23    HA   VAL   4           HA       VAL   4  11.408  -5.026  -1.596
   24    HB   VAL   4           HB       VAL   4   9.322  -5.148  -0.130
   25   HG11  VAL   4          HG11      VAL   4   9.447  -4.124  -2.370
   26   HG12  VAL   4          HG12      VAL   4   9.023  -5.684  -3.109
   27   HG13  VAL   4          HG13      VAL   4   7.869  -4.843  -2.051
   28   HG21  VAL   4          HG21      VAL   4   7.641  -6.850  -0.582
   29   HG22  VAL   4          HG22      VAL   4   8.737  -7.742  -1.639
   30   HG23  VAL   4          HG23      VAL   4   9.067  -7.627   0.101
   31    H    GLU   5           H        GLU   5  12.910  -4.552  -0.116
   32    HA   GLU   5           HA       GLU   5  14.183  -6.515   1.400
   33    HB2  GLU   5           HB2      GLU   5  15.119  -4.351   0.587
   34    HB3  GLU   5           HB3      GLU   5  14.201  -3.496   1.833
   35    HG2  GLU   5           HG2      GLU   5  15.468  -4.664   3.597
   36    HG3  GLU   5           HG3      GLU   5  16.298  -5.644   2.384
   37    H    ARG   6           H        ARG   6  11.435  -4.521   2.260
   38    HA   ARG   6           HA       ARG   6  11.574  -4.755   5.096
   39    HB2  ARG   6           HB2      ARG   6  10.107  -3.244   3.359
   40    HB3  ARG   6           HB3      ARG   6   8.932  -4.513   3.659
   41    HG2  ARG   6           HG2      ARG   6   8.368  -3.068   5.353
   42    HG3  ARG   6           HG3      ARG   6   9.564  -4.039   6.212
   43    HD2  ARG   6           HD2      ARG   6  11.305  -2.336   5.700
   44    HD3  ARG   6           HD3      ARG   6  10.135  -1.385   4.791
   45    HE   ARG   6           HE       ARG   6  10.246  -1.803   7.727
   46   HH11  ARG   6          HH11      ARG   6   8.870   0.144   5.022
   47   HH12  ARG   6          HH12      ARG   6   8.110   1.270   6.117
   48   HH21  ARG   6          HH21      ARG   6   9.273  -0.225   9.070
   49   HH22  ARG   6          HH22      ARG   6   8.362   1.080   8.374
   50    H    ASP   7           H        ASP   7  10.829  -7.103   2.785
   51    HA   ASP   7           HA       ASP   7   8.657  -8.495   3.370
   52    HB2  ASP   7           HB2      ASP   7  10.126  -9.162   1.605
   53    HB3  ASP   7           HB3      ASP   7  11.385  -9.644   2.745
   54    H    GLU   8           H        GLU   8  11.654  -9.222   5.178
   55    HA   GLU   8           HA       GLU   8  10.349 -11.296   6.649
   56    HB2  GLU   8           HB2      GLU   8  12.926  -9.778   7.289
   57    HB3  GLU   8           HB3      GLU   8  12.375 -11.230   8.138
   58    HG2  GLU   8           HG2      GLU   8  12.421 -12.491   5.983
   59    HG3  GLU   8           HG3      GLU   8  13.067 -11.061   5.173
   60    H    THR   9           H        THR   9  11.117  -7.924   7.588
   61    HA   THR   9           HA       THR   9   9.931  -7.999  10.142
   62    HB   THR   9           HB       THR   9   9.949  -5.645   8.237
   63    HG1  THR   9           HG1      THR   9  12.076  -5.313   8.796
   64   HG21  THR   9          HG21      THR   9  10.350  -5.824  11.260
   65   HG22  THR   9          HG22      THR   9  10.374  -4.332  10.289
   66   HG23  THR   9          HG23      THR   9   8.875  -5.265  10.445
   67    H    ARG  10           H        ARG  10   8.500  -7.693   6.874
   68    HA   ARG  10           HA       ARG  10   5.900  -6.812   7.888
   69    HB2  ARG  10           HB2      ARG  10   6.742  -7.961   5.180
   70    HB3  ARG  10           HB3      ARG  10   5.099  -7.505   5.582
   71    HG2  ARG  10           HG2      ARG  10   7.475  -5.625   5.391
   72    HG3  ARG  10           HG3      ARG  10   6.107  -5.764   4.299
   73    HD2  ARG  10           HD2      ARG  10   5.373  -3.970   5.493
   74    HD3  ARG  10           HD3      ARG  10   4.698  -5.244   6.509
   75    HE   ARG  10           HE       ARG  10   7.324  -4.645   7.417
   76   HH11  ARG  10          HH11      ARG  10   4.092  -3.183   7.289
   77   HH12  ARG  10          HH12      ARG  10   4.395  -2.057   8.578
   78   HH21  ARG  10          HH21      ARG  10   7.740  -3.112   9.128
   79   HH22  ARG  10          HH22      ARG  10   6.504  -2.027   9.633
   80    H    GLU  11           H        GLU  11   7.234  -9.988   6.768
   81    HA   GLU  11           HA       GLU  11   4.857 -11.427   7.115
   82    HB2  GLU  11           HB2      GLU  11   7.767 -12.246   7.478
   83    HB3  GLU  11           HB3      GLU  11   6.445 -13.409   7.546
   84    HG2  GLU  11           HG2      GLU  11   6.904 -11.607   5.133
   85    HG3  GLU  11           HG3      GLU  11   7.659 -13.186   5.322
   86    H    HIS  12           H        HIS  12   7.375 -10.726   9.588
   87    HA   HIS  12           HA       HIS  12   6.063 -12.140  11.701
   88    HB2  HIS  12           HB2      HIS  12   8.059  -9.840  11.724
   89    HB3  HIS  12           HB3      HIS  12   7.467 -10.634  13.181
   90    HD1  HIS  12           HD1      HIS  12   9.638 -11.446  10.096
   91    HD2  HIS  12           HD2      HIS  12   8.453 -13.014  13.822
   92    HE1  HIS  12           HE1      HIS  12  11.125 -13.475  10.528
   93    H    ARG  13           H        ARG  13   5.978  -8.592  10.860
   94    HA   ARG  13           HA       ARG  13   4.224  -8.023  13.065
   95    HB2  ARG  13           HB2      ARG  13   4.900  -6.425  10.564
   96    HB3  ARG  13           HB3      ARG  13   3.829  -5.847  11.851
   97    HG2  ARG  13           HG2      ARG  13   5.694  -6.284  13.517
   98    HG3  ARG  13           HG3      ARG  13   6.772  -6.587  12.149
   99    HD2  ARG  13           HD2      ARG  13   6.287  -4.320  11.271
  100    HD3  ARG  13           HD3      ARG  13   5.201  -4.009  12.628
  101    HE   ARG  13           HE       ARG  13   8.110  -3.953  12.607
  102   HH11  ARG  13          HH11      ARG  13   5.265  -4.311  14.765
  103   HH12  ARG  13          HH12      ARG  13   6.122  -3.729  16.151
  104   HH21  ARG  13          HH21      ARG  13   9.204  -3.222  14.480
  105   HH22  ARG  13          HH22      ARG  13   8.391  -3.125  15.992
  106    H    ILE  14           H        ILE  14   3.516  -8.860   9.660
  107    HA   ILE  14           HA       ILE  14   0.735  -8.295   9.722
  108    HB   ILE  14           HB       ILE  14   2.440 -10.305   8.210
  109   HG12  ILE  14          HG12      ILE  14   0.927  -7.868   7.181
  110   HG13  ILE  14          HG13      ILE  14   2.564  -7.745   7.787
  111   HG21  ILE  14          HG21      ILE  14   0.495 -10.712   6.702
  112   HG22  ILE  14          HG22      ILE  14   0.237 -11.324   8.324
  113   HG23  ILE  14          HG23      ILE  14  -0.542  -9.802   7.820
  114   HD11  ILE  14          HD11      ILE  14   1.671  -9.363   5.371
  115   HD12  ILE  14          HD12      ILE  14   2.686  -7.916   5.399
  116   HD13  ILE  14          HD13      ILE  14   3.302  -9.438   6.069
  117    H    GLU  15           H        GLU  15   2.510 -11.352  10.475
  118    HA   GLU  15           HA       GLU  15   0.221 -12.789  11.256
  119    HB2  GLU  15           HB2      GLU  15   2.342 -13.817  10.639
  120    HB3  GLU  15           HB3      GLU  15   3.165 -13.077  12.019
  121    HG2  GLU  15           HG2      GLU  15   1.850 -14.397  13.588
  122    HG3  GLU  15           HG3      GLU  15   0.868 -15.057  12.273
  123    H    THR  16           H        THR  16   2.462 -10.793  13.255
  124    HA   THR  16           HA       THR  16   1.078 -11.666  15.673
  125    HB   THR  16           HB       THR  16   2.838 -10.286  16.807
  126    HG1  THR  16           HG1      THR  16   3.978 -10.118  14.213
  127   HG21  THR  16          HG21      THR  16   3.842 -12.374  14.818
  128   HG22  THR  16          HG22      THR  16   4.673 -11.833  16.294
  129   HG23  THR  16          HG23      THR  16   3.134 -12.700  16.413
  130    H    GLU  17           H        GLU  17   0.813  -8.847  13.634
  131    HA   GLU  17           HA       GLU  17  -0.715  -7.453  15.788
  132    HB2  GLU  17           HB2      GLU  17   0.943  -6.129  13.614
  133    HB3  GLU  17           HB3      GLU  17   0.115  -5.364  14.961
  134    HG2  GLU  17           HG2      GLU  17   1.601  -6.658  16.543
  135    HG3  GLU  17           HG3      GLU  17   2.524  -7.209  15.142
  136    H    ILE  18           H        ILE  18  -1.015  -8.664  12.522
  137    HA   ILE  18           HA       ILE  18  -3.303  -6.789  12.069
  138    HB   ILE  18           HB       ILE  18  -1.591  -8.146   9.966
  139   HG12  ILE  18          HG12      ILE  18  -1.415  -5.357  11.185
  140   HG13  ILE  18          HG13      ILE  18  -0.164  -6.592  11.172
  141   HG21  ILE  18          HG21      ILE  18  -3.594  -5.865   9.748
  142   HG22  ILE  18          HG22      ILE  18  -2.693  -6.625   8.416
  143   HG23  ILE  18          HG23      ILE  18  -3.916  -7.541   9.273
  144   HD11  ILE  18          HD11      ILE  18  -1.125  -4.957   8.806
  145   HD12  ILE  18          HD12      ILE  18   0.468  -4.957   9.576
  146   HD13  ILE  18          HD13      ILE  18  -0.064  -6.377   8.655
  147    H    ILE  19           H        ILE  19  -2.247 -10.221  11.541
  148    HA   ILE  19           HA       ILE  19  -5.138 -10.943  11.351
  149    HB   ILE  19           HB       ILE  19  -4.453 -12.639   9.749
  150   HG12  ILE  19          HG12      ILE  19  -1.776 -11.207   9.640
  151   HG13  ILE  19          HG13      ILE  19  -2.027 -12.698  10.571
  152   HG21  ILE  19          HG21      ILE  19  -5.326 -10.357   9.095
  153   HG22  ILE  19          HG22      ILE  19  -3.643  -9.852   8.830
  154   HG23  ILE  19          HG23      ILE  19  -4.350 -11.156   7.865
  155   HD11  ILE  19          HD11      ILE  19  -2.375 -12.302   7.600
  156   HD12  ILE  19          HD12      ILE  19  -1.149 -13.289   8.452
  157   HD13  ILE  19          HD13      ILE  19  -2.869 -13.771   8.495
  158    H    VAL  20           H        VAL  20  -3.145 -11.041  13.711
  159    HA   VAL  20           HA       VAL  20  -2.364 -13.547  14.351
  160    HB   VAL  20           HB       VAL  20  -1.927 -11.435  15.568
  161   HG11  VAL  20          HG11      VAL  20  -3.358 -10.686  17.387
  162   HG12  VAL  20          HG12      VAL  20  -4.253 -10.620  15.864
  163   HG13  VAL  20          HG13      VAL  20  -4.558 -11.940  17.016
  164   HG21  VAL  20          HG21      VAL  20  -2.763 -13.728  17.382
  165   HG22  VAL  20          HG22      VAL  20  -1.225 -13.608  16.496
  166   HG23  VAL  20          HG23      VAL  20  -1.607 -12.433  17.766
  167    H    ASP  21           H        ASP  21  -5.752 -12.455  14.705
  168    HA   ASP  21           HA       ASP  21  -6.490 -15.104  15.836
  169    HB2  ASP  21           HB2      ASP  21  -7.053 -13.054  17.104
  170    HB3  ASP  21           HB3      ASP  21  -8.019 -12.483  15.743
  171    H    ALA  22           H        ALA  22  -6.075 -13.934  12.898
  172    HA   ALA  22           HA       ALA  22  -8.726 -14.503  11.725
  173    HB1  ALA  22           HB1      ALA  22  -7.996 -12.214  11.402
  174    HB2  ALA  22           HB2      ALA  22  -6.448 -12.781  10.734
  175    HB3  ALA  22           HB3      ALA  22  -7.944 -13.112   9.869
  176    H    GLU  23           H        GLU  23  -8.916 -16.071  10.411
  177    HA   GLU  23           HA       GLU  23  -6.764 -17.100   8.722
  178    HB2  GLU  23           HB2      GLU  23  -8.373 -19.223  10.110
  179    HB3  GLU  23           HB3      GLU  23  -6.898 -19.376   9.183
  180    HG2  GLU  23           HG2      GLU  23  -6.122 -19.864  11.263
  181    HG3  GLU  23           HG3      GLU  23  -5.788 -18.138  11.254
  182    H    ASP  24           H        ASP  24 -10.208 -16.711   9.587
  183    HA   ASP  24           HA       ASP  24 -11.188 -18.211   7.305
  184    HB2  ASP  24           HB2      ASP  24 -12.557 -16.355   9.293
  185    HB3  ASP  24           HB3      ASP  24 -13.319 -17.445   8.146
  186    H    LYS  25           H        LYS  25 -11.822 -17.060   5.407
  187    HA   LYS  25           HA       LYS  25 -10.027 -15.043   4.675
  188    HB2  LYS  25           HB2      LYS  25 -11.223 -14.840   2.594
  189    HB3  LYS  25           HB3      LYS  25 -11.050 -16.523   3.089
  190    HG2  LYS  25           HG2      LYS  25 -13.437 -16.465   3.932
  191    HG3  LYS  25           HG3      LYS  25 -13.561 -14.802   3.349
  192    HD2  LYS  25           HD2      LYS  25 -14.586 -16.288   1.749
  193    HD3  LYS  25           HD3      LYS  25 -13.138 -15.557   1.036
  194    HE2  LYS  25           HE2      LYS  25 -11.853 -17.628   1.517
  195    HE3  LYS  25           HE3      LYS  25 -13.279 -18.348   2.273
  196    HZ1  LYS  25           HZ1      LYS  25 -13.013 -19.095  -0.006
  197    HZ2  LYS  25           HZ2      LYS  25 -14.393 -18.242   0.117
  198    HZ3  LYS  25           HZ3      LYS  25 -13.075 -17.573  -0.582
  199    H    GLU  26           H        GLU  26 -13.299 -14.571   5.953
  200    HA   GLU  26           HA       GLU  26 -13.495 -11.779   5.243
  201    HB2  GLU  26           HB2      GLU  26 -14.913 -13.422   7.393
  202    HB3  GLU  26           HB3      GLU  26 -15.346 -11.774   6.916
  203    HG2  GLU  26           HG2      GLU  26 -15.794 -12.570   4.596
  204    HG3  GLU  26           HG3      GLU  26 -15.418 -14.220   5.092
  205    H    GLU  27           H        GLU  27 -12.235 -13.615   8.067
  206    HA   GLU  27           HA       GLU  27 -11.845 -11.293   9.750
  207    HB2  GLU  27           HB2      GLU  27 -10.357 -13.935   9.769
  208    HB3  GLU  27           HB3      GLU  27 -10.449 -12.763  11.083
  209    HG2  GLU  27           HG2      GLU  27 -12.807 -13.232  11.419
  210    HG3  GLU  27           HG3      GLU  27 -12.825 -14.335  10.031
  211    H    ARG  28           H        ARG  28  -9.791 -13.251   7.483
  212    HA   ARG  28           HA       ARG  28  -7.364 -11.844   8.021
  213    HB2  ARG  28           HB2      ARG  28  -8.251 -12.980   5.330
  214    HB3  ARG  28           HB3      ARG  28  -6.613 -12.499   5.780
  215    HG2  ARG  28           HG2      ARG  28  -6.650 -14.264   7.597
  216    HG3  ARG  28           HG3      ARG  28  -8.221 -14.791   6.967
  217    HD2  ARG  28           HD2      ARG  28  -7.031 -15.000   4.672
  218    HD3  ARG  28           HD3      ARG  28  -5.524 -14.855   5.590
  219    HE   ARG  28           HE       ARG  28  -7.597 -16.952   6.119
  220   HH11  ARG  28          HH21      ARG  28  -4.170 -16.228   5.496
  221   HH12  ARG  28          HH22      ARG  28  -3.650 -17.840   5.853
  222   HH21  ARG  28          HH11      ARG  28  -6.947 -18.992   6.546
  223   HH22  ARG  28          HH12      ARG  28  -5.287 -19.490   6.407
  224    H    ALA  29           H        ALA  29  -9.909 -11.131   5.582
  225    HA   ALA  29           HA       ALA  29  -8.745  -8.764   4.593
  226    HB1  ALA  29           HB1      ALA  29 -10.566 -10.037   3.507
  227    HB2  ALA  29           HB2      ALA  29 -11.679  -9.572   4.804
  228    HB3  ALA  29           HB3      ALA  29 -10.992  -8.324   3.719
  229    H    MET  30           H        MET  30 -11.159  -9.191   7.284
  230    HA   MET  30           HA       MET  30 -11.349  -6.380   7.790
  231    HB2  MET  30           HB2      MET  30 -12.028  -8.786   9.492
  232    HB3  MET  30           HB3      MET  30 -12.324  -7.120   9.991
  233    HG2  MET  30           HG2      MET  30 -13.496  -8.420   7.501
  234    HG3  MET  30           HG3      MET  30 -14.315  -8.179   9.032
  235    HE1  MET  30           HE1      MET  30 -12.401  -5.720   6.190
  236    HE2  MET  30           HE2      MET  30 -13.531  -6.959   5.626
  237    HE3  MET  30           HE3      MET  30 -13.984  -5.246   5.576
  238    H    GLY  31           H        GLY  31  -9.121  -8.842   9.136
  239    HA2  GLY  31           HA2      GLY  31  -7.976  -7.258  11.175
  240    HA3  GLY  31           HA3      GLY  31  -7.173  -8.564  10.275
  241    H    TRP  32           H        TRP  32  -7.024  -7.648   7.706
  242    HA   TRP  32           HA       TRP  32  -4.976  -5.680   7.679
  243    HB2  TRP  32           HB2      TRP  32  -6.815  -6.832   5.556
  244    HB3  TRP  32           HB3      TRP  32  -5.693  -5.534   5.196
  245    HD1  TRP  32           HD1      TRP  32  -5.800  -9.212   5.272
  246    HE1  TRP  32           HE1      TRP  32  -3.472 -10.176   4.855
  247    HE3  TRP  32           HE3      TRP  32  -3.046  -4.975   6.015
  248    HZ2  TRP  32           HZ2      TRP  32  -0.788  -9.150   4.536
  249    HZ3  TRP  32           HZ3      TRP  32  -0.611  -4.981   5.587
  250    HH2  TRP  32           HH2      TRP  32   0.520  -7.038   4.789
  251    H    TYR  33           H        TYR  33  -8.492  -5.361   6.869
  252    HA   TYR  33           HA       TYR  33  -8.380  -2.679   6.086
  253    HB2  TYR  33           HB2      TYR  33 -10.238  -4.055   5.514
  254    HB3  TYR  33           HB3      TYR  33 -10.526  -4.489   7.186
  255    HD1  TYR  33           HD2      TYR  33 -10.255  -1.171   5.383
  256    HD2  TYR  33           HD1      TYR  33 -12.551  -3.759   7.952
  257    HE1  TYR  33           HE2      TYR  33 -11.973   0.588   5.620
  258    HE2  TYR  33           HE1      TYR  33 -14.257  -2.001   8.220
  259    HH   TYR  33           HH       TYR  33 -14.021   1.179   6.545
  260    H    TYR  34           H        TYR  34  -9.097  -4.026   9.382
  261    HA   TYR  34           HA       TYR  34  -9.730  -1.475  10.515
  262    HB2  TYR  34           HB2      TYR  34  -8.740  -4.038  11.826
  263    HB3  TYR  34           HB3      TYR  34  -9.428  -2.663  12.670
  264    HD1  TYR  34           HD2      TYR  34 -11.660  -2.631  10.056
  265    HD2  TYR  34           HD1      TYR  34 -10.392  -5.271  13.238
  266    HE1  TYR  34           HE2      TYR  34 -13.888  -3.682  10.081
  267    HE2  TYR  34           HE1      TYR  34 -12.620  -6.337  13.247
  268    HH   TYR  34           HH       TYR  34 -14.758  -6.356  12.316
  269    H    TYR  35           H        TYR  35  -6.672  -3.420  10.386
  270    HA   TYR  35           HA       TYR  35  -5.229  -1.591  12.078
  271    HB2  TYR  35           HB2      TYR  35  -4.695  -4.023  11.651
  272    HB3  TYR  35           HB3      TYR  35  -4.226  -3.604  10.008
  273    HD1  TYR  35           HD2      TYR  35  -2.121  -2.372   9.570
  274    HD2  TYR  35           HD1      TYR  35  -3.293  -3.473  13.574
  275    HE1  TYR  35           HE2      TYR  35   0.180  -1.937  10.351
  276    HE2  TYR  35           HE1      TYR  35  -0.990  -3.047  14.369
  277    HH   TYR  35           HH       TYR  35   1.636  -1.935  12.175
  278    H    LEU  36           H        LEU  36  -5.594  -1.878   8.489
  279    HA   LEU  36           HA       LEU  36  -3.675   0.170   7.912
  280    HB2  LEU  36           HB2      LEU  36  -5.766  -1.316   6.359
  281    HB3  LEU  36           HB3      LEU  36  -5.337   0.278   5.770
  282    HG   LEU  36           HG       LEU  36  -3.031  -0.246   5.517
  283   HD11  LEU  36          HD11      LEU  36  -2.139  -2.572   5.915
  284   HD12  LEU  36          HD12      LEU  36  -2.479  -1.661   7.382
  285   HD13  LEU  36          HD13      LEU  36  -3.615  -2.918   6.850
  286   HD21  LEU  36          HD21      LEU  36  -3.195  -1.946   3.769
  287   HD22  LEU  36          HD22      LEU  36  -4.659  -2.632   4.510
  288   HD23  LEU  36          HD23      LEU  36  -4.707  -1.020   3.782
  289    H    ASP  37           H        ASP  37  -7.326   0.268   8.282
  290    HA   ASP  37           HA       ASP  37  -7.482   3.105   7.955
  291    HB2  ASP  37           HB2      ASP  37  -9.586   1.877   8.286
  292    HB3  ASP  37           HB3      ASP  37  -9.063   1.312   9.865
  293    H    ASP  38           H        ASP  38  -6.763   1.105  10.954
  294    HA   ASP  38           HA       ASP  38  -6.896   3.496  12.233
  295    HB2  ASP  38           HB2      ASP  38  -7.137   1.371  13.439
  296    HB3  ASP  38           HB3      ASP  38  -5.367   1.326  13.577
  297    H    THR  39           H        THR  39  -4.277   2.268  10.461
  298    HA   THR  39           HA       THR  39  -2.163   3.828  11.783
  299    HB   THR  39           HB       THR  39  -2.261   2.264   9.158
  300    HG1  THR  39           HG1      THR  39  -2.604   0.874  10.825
  301   HG21  THR  39          HG21      THR  39   0.205   2.229   9.376
  302   HG22  THR  39          HG22      THR  39  -0.453   3.866   9.223
  303   HG23  THR  39          HG23      THR  39   0.092   3.286  10.811
  304    H    LEU  40           H        LEU  40  -4.152   3.960   8.796
  305    HA   LEU  40           HA       LEU  40  -3.072   6.384   7.748
  306    HB2  LEU  40           HB2      LEU  40  -5.826   5.137   7.429
  307    HB3  LEU  40           HB3      LEU  40  -5.172   6.409   6.404
  308    HG   LEU  40           HG       LEU  40  -3.820   3.694   6.624
  309   HD11  LEU  40          HD11      LEU  40  -5.042   3.025   4.587
  310   HD12  LEU  40          HD12      LEU  40  -6.169   3.343   5.906
  311   HD13  LEU  40          HD13      LEU  40  -5.960   4.546   4.614
  312   HD21  LEU  40          HD21      LEU  40  -3.727   5.798   4.443
  313   HD22  LEU  40          HD22      LEU  40  -2.437   5.396   5.600
  314   HD23  LEU  40          HD23      LEU  40  -2.954   4.210   4.401
  315    H    GLU  41           H        GLU  41  -3.695   8.496   8.030
  316    HA   GLU  41           HA       GLU  41  -6.030   9.142   9.771
  317    HB2  GLU  41           HB2      GLU  41  -3.290  10.451   9.615
  318    HB3  GLU  41           HB3      GLU  41  -4.681  11.186  10.420
  319    HG2  GLU  41           HG2      GLU  41  -3.534   8.463  11.162
  320    HG3  GLU  41           HG3      GLU  41  -3.095   9.972  11.944
  321    H    PHE  42           H        PHE  42  -6.663   8.658   7.353
  322    HA   PHE  42           HA       PHE  42  -6.541  10.738   5.404
  323    HB2  PHE  42           HB2      PHE  42  -8.499   9.495   4.455
  324    HB3  PHE  42           HB3      PHE  42  -7.111   8.506   4.792
  325    HD1  PHE  42           HD1      PHE  42 -10.385   9.581   6.358
  326    HD2  PHE  42           HD2      PHE  42  -7.467   6.440   5.836
  327    HE1  PHE  42           HE1      PHE  42 -11.889   7.987   7.499
  328    HE2  PHE  42           HE2      PHE  42  -8.980   4.853   6.990
  329    HZ   PHE  42           HZ       PHE  42 -11.204   5.621   7.804
  330    HA   PRO  43           HA       PRO  43  -8.716  11.404   3.751
  331    HB2  PRO  43           HB2      PRO  43  -9.157  13.976   2.964
  332    HB3  PRO  43           HB3      PRO  43 -10.460  12.874   3.496
  333    HG2  PRO  43           HG2      PRO  43  -9.030  14.972   5.148
  334    HG3  PRO  43           HG3      PRO  43 -10.797  14.702   4.982
  335    HD2  PRO  43           HD2      PRO  43  -9.402  13.682   7.075
  336    HD3  PRO  43           HD3      PRO  43 -10.713  12.740   6.306
  337    H    PHE  44           H        PHE  44  -7.104  11.908   2.147
  338    HA   PHE  44           HA       PHE  44  -5.076  13.913   2.765
  339    HB2  PHE  44           HB2      PHE  44  -3.155  12.430   2.640
  340    HB3  PHE  44           HB3      PHE  44  -4.139  12.061   4.038
  341    HD1  PHE  44           HD2      PHE  44  -3.239  10.902   0.613
  342    HD2  PHE  44           HD1      PHE  44  -4.933   9.812   4.401
  343    HE1  PHE  44           HE2      PHE  44  -3.243   8.551  -0.098
  344    HE2  PHE  44           HE1      PHE  44  -5.002   7.447   3.684
  345    HZ   PHE  44           HZ       PHE  44  -4.161   6.795   1.433
  346    H    MET  45           H        MET  45  -3.506  14.108   0.860
  347    HA   MET  45           HA       MET  45  -5.023  13.699  -1.654
  348    HB2  MET  45           HB2      MET  45  -4.009  15.920  -1.103
  349    HB3  MET  45           HB3      MET  45  -2.414  15.159  -0.996
  350    HG2  MET  45           HG2      MET  45  -2.643  14.484  -3.407
  351    HG3  MET  45           HG3      MET  45  -4.157  15.389  -3.474
  352    HE1  MET  45           HE1      MET  45  -3.177  16.720  -5.573
  353    HE2  MET  45           HE2      MET  45  -1.524  17.379  -5.605
  354    HE3  MET  45           HE3      MET  45  -1.788  15.626  -5.408
  355    H    GLY  46           H        GLY  46  -4.213  12.332  -3.365
  356    HA2  GLY  46           HA2      GLY  46  -1.542  11.184  -3.071
  357    HA3  GLY  46           HA3      GLY  46  -2.868  10.013  -3.002
  358    H    LYS  47           H        LYS  47  -1.092   9.717  -4.944
  359    HA   LYS  47           HA       LYS  47  -2.487  10.682  -7.404
  360    HB2  LYS  47           HB2      LYS  47   0.122  10.924  -7.232
  361    HB3  LYS  47           HB3      LYS  47   0.167   9.174  -7.316
  362    HG2  LYS  47           HG2      LYS  47   0.483   9.879  -9.551
  363    HG3  LYS  47           HG3      LYS  47  -1.201   9.382  -9.499
  364    HD2  LYS  47           HD2      LYS  47  -1.291  11.436 -10.675
  365    HD3  LYS  47           HD3      LYS  47  -1.746  11.880  -9.049
  366    HE2  LYS  47           HE2      LYS  47  -0.259  13.556  -9.573
  367    HE3  LYS  47           HE3      LYS  47   0.764  12.437  -8.666
  368    HZ1  LYS  47           HZ1      LYS  47   1.921  13.096 -10.619
  369    HZ2  LYS  47           HZ2      LYS  47   1.472  11.548 -10.926
  370    HZ3  LYS  47           HZ3      LYS  47   0.660  12.798 -11.600
  371    H    TRP  48           H        TRP  48  -3.807   9.227  -8.350
  372    HA   TRP  48           HA       TRP  48  -3.834   6.410  -7.437
  373    HB2  TRP  48           HB2      TRP  48  -5.970   7.680  -7.776
  374    HB3  TRP  48           HB3      TRP  48  -5.555   7.905  -9.464
  375    HD1  TRP  48           HD1      TRP  48  -4.568   4.473  -8.826
  376    HE1  TRP  48           HE1      TRP  48  -6.336   2.807  -9.495
  377    HE3  TRP  48           HE3      TRP  48  -8.571   7.649  -9.049
  378    HZ2  TRP  48           HZ2      TRP  48  -9.202   2.809 -10.043
  379    HZ3  TRP  48           HZ3      TRP  48 -10.837   6.765  -9.554
  380    HH2  TRP  48           HH2      TRP  48 -11.156   4.355 -10.068
  381    H    LYS  49           H        LYS  49  -2.109   5.339  -8.336
  382    HA   LYS  49           HA       LYS  49  -1.094   6.004 -11.032
  383    HB2  LYS  49           HB2      LYS  49   0.085   4.594  -8.597
  384    HB3  LYS  49           HB3      LYS  49   0.816   4.502 -10.206
  385    HG2  LYS  49           HG2      LYS  49   1.140   6.894 -10.304
  386    HG3  LYS  49           HG3      LYS  49   0.212   7.148  -8.825
  387    HD2  LYS  49           HD2      LYS  49   2.613   7.386  -8.455
  388    HD3  LYS  49           HD3      LYS  49   1.917   6.080  -7.484
  389    HE2  LYS  49           HE2      LYS  49   2.832   4.389  -8.945
  390    HE3  LYS  49           HE3      LYS  49   3.350   5.601 -10.130
  391    HZ1  LYS  49           HZ1      LYS  49   4.409   5.495  -7.356
  392    HZ2  LYS  49           HZ2      LYS  49   5.143   4.774  -8.641
  393    HZ3  LYS  49           HZ3      LYS  49   4.976   6.395  -8.598
  394    H    LYS  50           H        LYS  50  -3.222   5.129 -11.596
  395    HA   LYS  50           HA       LYS  50  -4.152   2.473 -11.079
  396    HB2  LYS  50           HB2      LYS  50  -5.538   4.288 -12.034
  397    HB3  LYS  50           HB3      LYS  50  -4.564   4.266 -13.509
  398    HG2  LYS  50           HG2      LYS  50  -5.274   1.898 -13.918
  399    HG3  LYS  50           HG3      LYS  50  -6.290   1.972 -12.462
  400    HD2  LYS  50           HD2      LYS  50  -7.561   3.854 -13.447
  401    HD3  LYS  50           HD3      LYS  50  -6.544   3.813 -14.891
  402    HE2  LYS  50           HE2      LYS  50  -8.401   1.581 -13.937
  403    HE3  LYS  50           HE3      LYS  50  -8.730   2.725 -15.240
  404    HZ1  LYS  50           HZ1      LYS  50  -6.652   1.790 -16.326
  405    HZ2  LYS  50           HZ2      LYS  50  -6.693   0.579 -15.244
  406    HZ3  LYS  50           HZ3      LYS  50  -7.951   0.782 -16.260
  407    H    LYS  51           H        LYS  51  -3.023   0.555 -11.567
  408    HA   LYS  51           HA       LYS  51  -0.846   0.793 -13.430
  409    HB2  LYS  51           HB2      LYS  51  -0.117  -1.330 -12.691
  410    HB3  LYS  51           HB3      LYS  51  -0.600  -0.347 -11.310
  411    HG2  LYS  51           HG2      LYS  51  -2.769  -1.618 -11.227
  412    HG3  LYS  51           HG3      LYS  51  -2.186  -2.632 -12.553
  413    HD2  LYS  51           HD2      LYS  51  -0.206  -3.286 -11.136
  414    HD3  LYS  51           HD3      LYS  51  -0.866  -2.307  -9.823
  415    HE2  LYS  51           HE2      LYS  51  -1.434  -4.575  -9.357
  416    HE3  LYS  51           HE3      LYS  51  -2.919  -3.738  -9.808
  417    HZ1  LYS  51           HZ1      LYS  51  -1.331  -5.512 -11.586
  418    HZ2  LYS  51           HZ2      LYS  51  -2.737  -5.907 -10.873
  419    HZ3  LYS  51           HZ3      LYS  51  -2.714  -4.756 -12.025
  420    H    SER  52           H        SER  52  -3.381   1.094 -14.863
  421    HA   SER  52           HA       SER  52  -2.711  -0.782 -16.927
  422    HB2  SER  52           HB2      SER  52  -5.133  -1.598 -17.175
  423    HB3  SER  52           HB3      SER  52  -4.157  -2.303 -15.884
  424    HG   SER  52           HG       SER  52  -6.107  -1.794 -15.005
  425    H    ARG  53           H        ARG  53  -3.166  -0.063 -18.911
  426    HA   ARG  53           HA       ARG  53  -5.317   1.788 -19.481
  427    HB2  ARG  53           HB2      ARG  53  -3.806   3.528 -18.852
  428    HB3  ARG  53           HB3      ARG  53  -2.446   2.780 -19.673
  429    HG2  ARG  53           HG2      ARG  53  -3.102   4.681 -20.953
  430    HG3  ARG  53           HG3      ARG  53  -3.505   3.251 -21.876
  431    HD2  ARG  53           HD2      ARG  53  -5.368   4.629 -22.162
  432    HD3  ARG  53           HD3      ARG  53  -5.910   3.510 -20.904
  433    HE   ARG  53           HE       ARG  53  -4.658   5.959 -19.881
  434   HH11  ARG  53          HH11      ARG  53  -7.777   4.651 -21.017
  435   HH12  ARG  53          HH12      ARG  53  -8.697   5.913 -20.284
  436   HH21  ARG  53          HH21      ARG  53  -5.780   7.543 -19.008
  437   HH22  ARG  53          HH22      ARG  53  -7.531   7.646 -19.066
  438    H    LYS  54           H        LYS  54  -2.195   0.476 -20.737
  439    HA   LYS  54           HA       LYS  54  -3.694  -0.990 -22.836
  440    HB2  LYS  54           HB2      LYS  54  -2.679   1.034 -23.885
  441    HB3  LYS  54           HB3      LYS  54  -1.090   0.560 -23.268
  442    HG2  LYS  54           HG2      LYS  54  -1.216  -1.547 -24.602
  443    HG3  LYS  54           HG3      LYS  54  -2.822  -1.073 -25.188
  444    HD2  LYS  54           HD2      LYS  54  -1.838   0.945 -26.249
  445    HD3  LYS  54           HD3      LYS  54  -0.230   0.470 -25.657
  446    HE2  LYS  54           HE2      LYS  54  -0.387  -1.651 -26.945
  447    HE3  LYS  54           HE3      LYS  54  -1.988  -1.182 -27.531
  448    HZ1  LYS  54           HZ1      LYS  54   0.530   0.273 -28.107
  449    HZ2  LYS  54           HZ2      LYS  54  -0.273  -0.686 -29.150
  450    HZ3  LYS  54           HZ3      LYS  54  -0.951   0.707 -28.650
  451    H    THR  55           H        THR  55  -3.611  -2.709 -21.368
  452    HA   THR  55           HA       THR  55  -2.783  -4.411 -20.154
  453    HB   THR  55           HB       THR  55   0.026  -4.093 -21.218
  454    HG1  THR  55           HG1      THR  55  -1.123  -3.908 -23.077
  455   HG21  THR  55          HG21      THR  55  -0.074  -6.559 -21.279
  456   HG22  THR  55          HG22      THR  55  -0.479  -5.985 -19.661
  457   HG23  THR  55          HG23      THR  55  -1.770  -6.524 -20.749
  458    H    SER  56           H        SER  56  -0.147  -4.466 -18.763
  459    HA   SER  56           HA       SER  56  -0.924  -3.156 -16.484
  460    HB2  SER  56           HB2      SER  56   1.866  -4.160 -17.110
  461    HB3  SER  56           HB3      SER  56   1.018  -4.177 -15.552
  462    HG   SER  56           HG       SER  56   0.998  -6.229 -16.564
  463    H    THR  57           H        THR  57  -0.244  -1.074 -18.722
  464    HA   THR  57           HA       THR  57   2.111   0.366 -17.879
  465    HB   THR  57           HB       THR  57   0.936   2.169 -19.303
  466    HG1  THR  57           HG1      THR  57  -1.146   1.314 -18.925
  467   HG21  THR  57          HG21      THR  57   1.393  -0.577 -20.554
  468   HG22  THR  57          HG22      THR  57   1.253   0.955 -21.444
  469   HG23  THR  57          HG23      THR  57   2.604   0.701 -20.323
  470    H    ILE  58           H        ILE  58   2.277   1.905 -16.239
  471    HA   ILE  58           HA       ILE  58   0.074   2.485 -14.458
  472    HB   ILE  58           HB       ILE  58   2.655   4.019 -14.842
  473   HG12  ILE  58          HG12      ILE  58   3.242   1.738 -14.325
  474   HG13  ILE  58          HG13      ILE  58   3.538   2.757 -12.928
  475   HG21  ILE  58          HG21      ILE  58   1.076   5.351 -13.590
  476   HG22  ILE  58          HG22      ILE  58   0.622   3.976 -12.572
  477   HG23  ILE  58          HG23      ILE  58   2.243   4.698 -12.443
  478   HD11  ILE  58          HD11      ILE  58   2.636   0.671 -12.166
  479   HD12  ILE  58          HD12      ILE  58   1.357   1.875 -11.937
  480   HD13  ILE  58          HD13      ILE  58   1.302   0.744 -13.318
  481    H    GLU  59           H        GLU  59  -1.381   4.100 -14.526
  482    HA   GLU  59           HA       GLU  59  -1.163   6.354 -16.436
  483    HB2  GLU  59           HB2      GLU  59  -2.833   4.801 -17.291
  484    HB3  GLU  59           HB3      GLU  59  -3.560   4.628 -15.691
  485    HG2  GLU  59           HG2      GLU  59  -4.942   6.074 -17.008
  486    HG3  GLU  59           HG3      GLU  59  -4.198   7.023 -15.729
  487    H    GLU  60           H        GLU  60  -2.018   8.306 -15.393
  488    HA   GLU  60           HA       GLU  60  -1.948   8.097 -12.404
  489    HB2  GLU  60           HB2      GLU  60  -0.480  10.037 -14.226
  490    HB3  GLU  60           HB3      GLU  60  -0.650  10.220 -12.477
  491    HG2  GLU  60           HG2      GLU  60   0.435   7.980 -12.172
  492    HG3  GLU  60           HG3      GLU  60   0.716   7.914 -13.916
  493    H    LYS  61           H        LYS  61  -3.516   9.151 -11.329
  494    HA   LYS  61           HA       LYS  61  -4.673  11.601 -12.565
  495    HB2  LYS  61           HB2      LYS  61  -6.213   9.717 -13.068
  496    HB3  LYS  61           HB3      LYS  61  -6.308   9.324 -11.345
  497    HG2  LYS  61           HG2      LYS  61  -7.445  11.407 -10.857
  498    HG3  LYS  61           HG3      LYS  61  -7.064  12.056 -12.458
  499    HD2  LYS  61           HD2      LYS  61  -9.399  11.417 -12.380
  500    HD3  LYS  61           HD3      LYS  61  -8.524  10.402 -13.529
  501    HE2  LYS  61           HE2      LYS  61  -8.397   8.592 -11.797
  502    HE3  LYS  61           HE3      LYS  61  -9.321   9.614 -10.685
  503    HZ1  LYS  61           HZ1      LYS  61 -11.171   9.534 -12.259
  504    HZ2  LYS  61           HZ2      LYS  61 -10.304   8.627 -13.307
  505    HZ3  LYS  61           HZ3      LYS  61 -10.727   8.014 -11.861
  506    H    THR  62           H        THR  62  -4.861  13.216 -11.006
  507    HA   THR  62           HA       THR  62  -3.677  12.605  -8.386
  508    HB   THR  62           HB       THR  62  -4.468  15.272  -9.624
  509    HG1  THR  62           HG1      THR  62  -2.466  15.305 -10.519
  510   HG21  THR  62          HG21      THR  62  -2.698  16.148  -8.140
  511   HG22  THR  62          HG22      THR  62  -3.938  15.305  -7.197
  512   HG23  THR  62          HG23      THR  62  -2.383  14.508  -7.521
  513    H    VAL  63           H        VAL  63  -4.879  12.447  -6.495
  514    HA   VAL  63           HA       VAL  63  -7.731  13.228  -6.651
  515    HB   VAL  63           HB       VAL  63  -8.390  11.054  -5.808
  516   HG11  VAL  63          HG11      VAL  63  -6.763  10.620  -8.341
  517   HG12  VAL  63          HG12      VAL  63  -8.179   9.709  -7.787
  518   HG13  VAL  63          HG13      VAL  63  -8.358  11.395  -8.278
  519   HG21  VAL  63          HG21      VAL  63  -6.292  10.344  -4.661
  520   HG22  VAL  63          HG22      VAL  63  -6.921   9.113  -5.759
  521   HG23  VAL  63          HG23      VAL  63  -5.527  10.096  -6.245
  522    H    GLU  64           H        GLU  64  -8.787  13.342  -4.683
  523    HA   GLU  64           HA       GLU  64  -7.086  13.592  -2.230
  524    HB2  GLU  64           HB2      GLU  64  -8.321  15.662  -2.835
  525    HB3  GLU  64           HB3      GLU  64  -9.840  14.761  -2.856
  526    HG2  GLU  64           HG2      GLU  64  -9.613  14.256  -0.458
  527    HG3  GLU  64           HG3      GLU  64  -8.001  14.973  -0.428
  528    H    VAL  65           H        VAL  65  -7.292  11.800  -0.933
  529    HA   VAL  65           HA       VAL  65  -9.458   9.888  -1.486
  530    HB   VAL  65           HB       VAL  65  -8.383   8.296  -0.352
  531   HG11  VAL  65          HG11      VAL  65  -5.939   9.898  -1.193
  532   HG12  VAL  65          HG12      VAL  65  -6.093   8.136  -1.080
  533   HG13  VAL  65          HG13      VAL  65  -6.990   9.021  -2.324
  534   HG21  VAL  65          HG21      VAL  65  -6.653  10.148   1.252
  535   HG22  VAL  65          HG22      VAL  65  -8.103   9.284   1.831
  536   HG23  VAL  65          HG23      VAL  65  -6.701   8.376   1.309
  537    H    LEU  66           H        LEU  66 -11.195   9.636  -0.171
  538    HA   LEU  66           HA       LEU  66 -11.541  11.680   1.958
  539    HB2  LEU  66           HB2      LEU  66 -13.541   9.708   0.780
  540    HB3  LEU  66           HB3      LEU  66 -13.874  10.974   1.943
  541    HG   LEU  66           HG       LEU  66 -14.653  11.845  -0.048
  542   HD11  LEU  66          HD11      LEU  66 -11.847  13.037   0.075
  543   HD12  LEU  66          HD12      LEU  66 -13.311  13.792  -0.577
  544   HD13  LEU  66          HD13      LEU  66 -13.189  13.472   1.162
  545   HD21  LEU  66          HD21      LEU  66 -13.631  11.826  -2.190
  546   HD22  LEU  66          HD22      LEU  66 -12.096  11.221  -1.562
  547   HD23  LEU  66          HD23      LEU  66 -13.536  10.175  -1.560
  548    H    GLY  67           H        GLY  67 -11.032   8.182   1.548
  549    HA2  GLY  67           HA2      GLY  67  -9.941   7.650   3.907
  550    HA3  GLY  67           HA3      GLY  67 -11.676   7.504   4.288
  551    H    MET  68           H        MET  68 -10.530   5.278   4.636
  552    HA   MET  68           HA       MET  68 -10.243   3.508   2.354
  553    HB2  MET  68           HB2      MET  68 -10.955   2.973   5.270
  554    HB3  MET  68           HB3      MET  68 -10.726   1.706   4.064
  555    HG2  MET  68           HG2      MET  68  -8.573   3.732   4.746
  556    HG3  MET  68           HG3      MET  68  -8.752   2.202   5.591
  557    HE1  MET  68           HE1      MET  68  -8.077  -0.093   4.767
  558    HE2  MET  68           HE2      MET  68  -9.300  -0.063   3.470
  559    HE3  MET  68           HE3      MET  68  -7.619  -0.492   3.101
  560    H    ALA  69           H        ALA  69 -11.767   2.116   1.472
  561    HA   ALA  69           HA       ALA  69 -14.515   3.008   1.326
  562    HB1  ALA  69           HB1      ALA  69 -14.781   0.974  -0.053
  563    HB2  ALA  69           HB2      ALA  69 -13.302   1.824  -0.518
  564    HB3  ALA  69           HB3      ALA  69 -13.220   0.371   0.514
  565    HA   PRO  70           HA       PRO  70 -16.105   0.780   4.848
  566    HB2  PRO  70           HB2      PRO  70 -18.551  -0.179   4.015
  567    HB3  PRO  70           HB3      PRO  70 -18.223   1.548   4.345
  568    HG2  PRO  70           HG2      PRO  70 -18.165   0.123   1.666
  569    HG3  PRO  70           HG3      PRO  70 -18.999   1.655   2.086
  570    HD2  PRO  70           HD2      PRO  70 -16.579   1.658   0.887
  571    HD3  PRO  70           HD3      PRO  70 -16.948   2.846   2.168
  572    H    ASP  71           H        ASP  71 -16.812  -1.411   5.586
  573    HA   ASP  71           HA       ASP  71 -15.177  -3.501   4.712
  574    HB2  ASP  71           HB2      ASP  71 -16.313  -4.885   6.211
  575    HB3  ASP  71           HB3      ASP  71 -16.369  -3.286   6.944
  576    H    ASP  72           H        ASP  72 -18.290  -2.495   3.443
  577    HA   ASP  72           HA       ASP  72 -19.094  -4.872   2.131
  578    HB2  ASP  72           HB2      ASP  72 -20.516  -2.874   2.479
  579    HB3  ASP  72           HB3      ASP  72 -19.535  -1.975   1.319
  580    H    GLU  73           H        GLU  73 -16.472  -2.711   1.414
  581    HA   GLU  73           HA       GLU  73 -15.939  -4.139  -1.169
  582    HB2  GLU  73           HB2      GLU  73 -14.934  -1.439  -0.178
  583    HB3  GLU  73           HB3      GLU  73 -14.436  -2.221  -1.669
  584    HG2  GLU  73           HG2      GLU  73 -17.224  -1.197  -1.013
  585    HG3  GLU  73           HG3      GLU  73 -16.057  -0.449  -2.093
  586    H    CYS  74           H        CYS  74 -14.572  -2.889   1.926
  587    HA   CYS  74           HA       CYS  74 -12.012  -3.986   1.423
  588    HB2  CYS  74           HB2      CYS  74 -13.265  -2.793   3.905
  589    HB3  CYS  74           HB3      CYS  74 -11.581  -3.346   3.830
  590    HG   CYS  74           HG       CYS  74 -12.484  -0.601   3.293
  591    H    LEU  75           H        LEU  75 -14.571  -5.821   1.910
  592    HA   LEU  75           HA       LEU  75 -13.332  -7.918   3.582
  593    HB2  LEU  75           HB2      LEU  75 -15.932  -7.577   2.066
  594    HB3  LEU  75           HB3      LEU  75 -15.397  -9.200   2.460
  595    HG   LEU  75           HG       LEU  75 -15.649  -7.070   4.611
  596   HD11  LEU  75          HD11      LEU  75 -17.817  -7.337   3.495
  597   HD12  LEU  75          HD12      LEU  75 -17.732  -9.101   3.698
  598   HD13  LEU  75          HD13      LEU  75 -17.854  -8.036   5.122
  599   HD21  LEU  75          HD21      LEU  75 -14.279  -9.092   5.171
  600   HD22  LEU  75          HD22      LEU  75 -15.770  -9.009   6.114
  601   HD23  LEU  75          HD23      LEU  75 -15.654 -10.120   4.732
  602    H    LYS  76           H        LYS  76 -13.187  -6.801   0.312
  603    HA   LYS  76           HA       LYS  76 -12.481  -9.525  -0.704
  604    HB2  LYS  76           HB2      LYS  76 -13.512  -7.059  -2.156
  605    HB3  LYS  76           HB3      LYS  76 -13.063  -8.594  -2.909
  606    HG2  LYS  76           HG2      LYS  76 -14.816  -9.766  -1.573
  607    HG3  LYS  76           HG3      LYS  76 -15.268  -8.231  -0.824
  608    HD2  LYS  76           HD2      LYS  76 -16.850  -8.703  -2.542
  609    HD3  LYS  76           HD3      LYS  76 -15.871  -7.320  -3.057
  610    HE2  LYS  76           HE2      LYS  76 -14.512  -8.824  -4.500
  611    HE3  LYS  76           HE3      LYS  76 -15.449 -10.216  -3.941
  612    HZ1  LYS  76           HZ1      LYS  76 -17.410  -9.225  -4.969
  613    HZ2  LYS  76           HZ2      LYS  76 -16.547  -7.934  -5.482
  614    HZ3  LYS  76           HZ3      LYS  76 -16.233  -9.417  -6.076
  615    H    ASP  77           H        ASP  77 -11.448  -6.081  -0.669
  616    HA   ASP  77           HA       ASP  77  -8.666  -6.801  -0.853
  617    HB2  ASP  77           HB2      ASP  77  -9.355  -6.979  -3.286
  618    HB3  ASP  77           HB3      ASP  77  -9.866  -5.297  -3.216
  619    H    MET  78           H        MET  78  -7.379  -4.573  -0.829
  620    HA   MET  78           HA       MET  78  -8.873  -2.819   1.036
  621    HB2  MET  78           HB2      MET  78  -5.990  -2.739   0.082
  622    HB3  MET  78           HB3      MET  78  -6.699  -1.632   1.256
  623    HG2  MET  78           HG2      MET  78  -6.407  -4.638   1.586
  624    HG3  MET  78           HG3      MET  78  -5.425  -3.397   2.344
  625    HE1  MET  78           HE1      MET  78  -9.159  -4.937   2.205
  626    HE2  MET  78           HE2      MET  78  -7.899  -5.955   2.941
  627    HE3  MET  78           HE3      MET  78  -9.206  -5.301   3.936
  628    H    TYR  79           H        TYR  79  -9.864  -0.986   0.441
  629    HA   TYR  79           HA       TYR  79  -9.158   0.340  -2.128
  630    HB2  TYR  79           HB2      TYR  79 -11.952  -0.389  -1.169
  631    HB3  TYR  79           HB3      TYR  79 -11.593   0.623  -2.545
  632    HD1  TYR  79           HD2      TYR  79 -10.485  -0.411  -4.615
  633    HD2  TYR  79           HD1      TYR  79 -12.103  -2.747  -1.374
  634    HE1  TYR  79           HE2      TYR  79 -10.802  -2.324  -6.153
  635    HE2  TYR  79           HE1      TYR  79 -12.437  -4.653  -2.892
  636    HH   TYR  79           HH       TYR  79 -12.218  -5.449  -5.087
  637    H    VAL  80           H        VAL  80  -9.983   2.491  -2.279
  638    HA   VAL  80           HA       VAL  80 -10.599   3.881   0.265
  639    HB   VAL  80           HB       VAL  80  -8.976   5.691  -0.641
  640   HG11  VAL  80          HG11      VAL  80  -7.877   3.124   0.571
  641   HG12  VAL  80          HG12      VAL  80  -7.045   4.697   0.544
  642   HG13  VAL  80          HG13      VAL  80  -8.554   4.527   1.435
  643   HG21  VAL  80          HG21      VAL  80  -8.478   4.610  -2.839
  644   HG22  VAL  80          HG22      VAL  80  -7.027   4.933  -1.879
  645   HG23  VAL  80          HG23      VAL  80  -7.665   3.278  -1.992
  646    H    GLU  81           H        GLU  81 -11.886   5.650  -0.012
  647    HA   GLU  81           HA       GLU  81 -13.272   5.943  -2.622
  648    HB2  GLU  81           HB2      GLU  81 -13.706   7.235   0.110
  649    HB3  GLU  81           HB3      GLU  81 -14.623   7.633  -1.352
  650    HG2  GLU  81           HG2      GLU  81 -15.338   5.238  -1.523
  651    HG3  GLU  81           HG3      GLU  81 -14.516   4.903   0.002
  652    H    VAL  82           H        VAL  82 -12.789   7.686  -3.974
  653    HA   VAL  82           HA       VAL  82 -10.874   9.729  -3.009
  654    HB   VAL  82           HB       VAL  82  -9.362   9.366  -4.820
  655   HG11  VAL  82          HG11      VAL  82  -8.289   7.318  -4.222
  656   HG12  VAL  82          HG12      VAL  82  -9.038   7.971  -2.757
  657   HG13  VAL  82          HG13      VAL  82  -9.799   6.620  -3.611
  658   HG21  VAL  82          HG21      VAL  82 -10.829   8.564  -6.610
  659   HG22  VAL  82          HG22      VAL  82  -9.483   7.453  -6.377
  660   HG23  VAL  82          HG23      VAL  82 -11.090   7.032  -5.743
  661    H    ALA  83           H        ALA  83 -10.872  11.677  -4.220
  662    HA   ALA  83           HA       ALA  83 -13.055  11.971  -6.246
  663    HB1  ALA  83           HB1      ALA  83 -12.108  13.934  -4.106
  664    HB2  ALA  83           HB2      ALA  83 -13.281  14.291  -5.393
  665    HB3  ALA  83           HB3      ALA  83 -13.676  13.094  -4.148
  666    H    ASP  84           H        ASP  84 -12.371  12.841  -8.148
  667    HA   ASP  84           HA       ASP  84  -9.516  13.138  -8.630
  668    HB2  ASP  84           HB2      ASP  84 -10.770  12.279 -10.457
  669    HB3  ASP  84           HB3      ASP  84 -11.989  13.549 -10.328
  670    H    ILE  85           H        ILE  85  -8.308  14.871  -8.321
  671    HA   ILE  85           HA       ILE  85  -9.527  17.454  -7.613
  672    HB   ILE  85           HB       ILE  85  -6.628  16.577  -7.803
  673   HG12  ILE  85          HG12      ILE  85  -8.387  16.904  -5.320
  674   HG13  ILE  85          HG13      ILE  85  -7.935  15.364  -6.030
  675   HG21  ILE  85          HG21      ILE  85  -7.803  19.040  -6.442
  676   HG22  ILE  85          HG22      ILE  85  -6.085  18.593  -6.498
  677   HG23  ILE  85          HG23      ILE  85  -6.891  19.062  -7.972
  678   HD11  ILE  85          HD11      ILE  85  -6.487  15.749  -4.152
  679   HD12  ILE  85          HD12      ILE  85  -5.518  15.899  -5.621
  680   HD13  ILE  85          HD13      ILE  85  -6.036  17.346  -4.717
  681    H    GLY  86           H        GLY  86  -8.175  15.817 -10.442
  682    HA2  GLY  86           HA2      GLY  86  -6.935  17.995 -11.738
  683    HA3  GLY  86           HA3      GLY  86  -7.503  16.492 -12.482
  684    H    GLY  87           H        GLY  87 -10.328  16.816 -11.895
  685    HA2  GLY  87           HA2      GLY  87 -11.130  19.297 -13.339
  686    HA3  GLY  87           HA3      GLY  87 -11.380  17.696 -14.064
  687    H    LYS  88           H        LYS  88 -12.253  16.169 -11.844
  688    HA   LYS  88           HA       LYS  88 -15.010  16.940 -12.018
  689    HB2  LYS  88           HB2      LYS  88 -13.708  14.912 -10.157
  690    HB3  LYS  88           HB3      LYS  88 -15.426  15.047 -10.454
  691    HG2  LYS  88           HG2      LYS  88 -13.329  14.347 -12.561
  692    HG3  LYS  88           HG3      LYS  88 -14.359  13.203 -11.729
  693    HD2  LYS  88           HD2      LYS  88 -15.318  15.383 -13.632
  694    HD3  LYS  88           HD3      LYS  88 -15.140  13.666 -14.001
  695    HE2  LYS  88           HE2      LYS  88 -16.806  13.111 -12.229
  696    HE3  LYS  88           HE3      LYS  88 -17.044  14.838 -11.924
  697    HZ1  LYS  88           HZ1      LYS  88 -17.835  15.064 -14.210
  698    HZ2  LYS  88           HZ2      LYS  88 -17.613  13.468 -14.489
  699    HZ3  LYS  88           HZ3      LYS  88 -18.728  13.960 -13.412
  700    H    ASP  89           H        ASP  89 -12.808  16.901  -9.204
  701    HA   ASP  89           HA       ASP  89 -12.717  17.891  -7.256
  702    HB2  ASP  89           HB2      ASP  89 -12.479  19.873  -8.652
  703    HB3  ASP  89           HB3      ASP  89 -14.222  20.144  -8.604
  704    H    ASP  90           H        ASP  90 -15.985  17.413  -8.365
  705    HA   ASP  90           HA       ASP  90 -17.025  17.421  -5.573
  706    HB2  ASP  90           HB2      ASP  90 -17.440  19.546  -6.846
  707    HB3  ASP  90           HB3      ASP  90 -18.296  18.599  -8.066
  708    H    ASP  91           H        ASP  91 -16.198  15.228  -7.461
  709    HA   ASP  91           HA       ASP  91 -18.608  13.595  -7.081
  710    HB2  ASP  91           HB2      ASP  91 -18.602  14.250  -9.513
  711    HB3  ASP  91           HB3      ASP  91 -17.025  13.467  -9.671
  712    H    VAL  92           H        VAL  92 -17.985  11.250  -6.972
  713    HA   VAL  92           HA       VAL  92 -15.205  10.930  -5.969
  714    HB   VAL  92           HB       VAL  92 -17.721  10.107  -4.489
  715   HG11  VAL  92          HG11      VAL  92 -16.199   9.797  -2.541
  716   HG12  VAL  92          HG12      VAL  92 -15.828   8.699  -3.861
  717   HG13  VAL  92          HG13      VAL  92 -14.815  10.136  -3.600
  718   HG21  VAL  92          HG21      VAL  92 -17.652  12.541  -4.381
  719   HG22  VAL  92          HG22      VAL  92 -17.150  11.896  -2.826
  720   HG23  VAL  92          HG23      VAL  92 -15.927  12.510  -3.957
  721    H    TYR  93           H        TYR  93 -14.497   8.847  -5.894
  722    HA   TYR  93           HA       TYR  93 -15.888   6.684  -7.377
  723    HB2  TYR  93           HB2      TYR  93 -13.018   7.652  -7.774
  724    HB3  TYR  93           HB3      TYR  93 -13.789   6.329  -8.629
  725    HD1  TYR  93           HD1      TYR  93 -15.483   6.744 -10.388
  726    HD2  TYR  93           HD2      TYR  93 -13.441   9.981  -8.394
  727    HE1  TYR  93           HE1      TYR  93 -16.187   8.284 -12.189
  728    HE2  TYR  93           HE2      TYR  93 -14.153  11.537 -10.185
  729    HH   TYR  93           HH       TYR  93 -16.107  10.448 -13.011
  730    H    THR  94           H        THR  94 -14.137   4.763  -7.251
  731    HA   THR  94           HA       THR  94 -12.931   4.604  -4.528
  732    HB   THR  94           HB       THR  94 -14.424   2.313  -5.858
  733    HG1  THR  94           HG1      THR  94 -15.887   3.899  -5.211
  734   HG21  THR  94          HG21      THR  94 -12.691   1.577  -4.304
  735   HG22  THR  94          HG22      THR  94 -13.313   2.667  -3.041
  736   HG23  THR  94          HG23      THR  94 -14.289   1.289  -3.603
  737    H    ALA  95           H        ALA  95 -10.919   3.752  -4.542
  738    HA   ALA  95           HA       ALA  95  -9.787   2.666  -7.080
  739    HB1  ALA  95           HB1      ALA  95  -7.720   3.949  -6.564
  740    HB2  ALA  95           HB2      ALA  95  -9.102   5.031  -6.828
  741    HB3  ALA  95           HB3      ALA  95  -8.528   4.707  -5.180
  742    H    LYS  96           H        LYS  96  -7.952   1.242  -6.660
  743    HA   LYS  96           HA       LYS  96  -8.189  -0.355  -4.201
  744    HB2  LYS  96           HB2      LYS  96  -6.228  -0.387  -6.542
  745    HB3  LYS  96           HB3      LYS  96  -6.199  -1.524  -5.194
  746    HG2  LYS  96           HG2      LYS  96  -8.247  -2.529  -5.786
  747    HG3  LYS  96           HG3      LYS  96  -8.683  -1.252  -6.931
  748    HD2  LYS  96           HD2      LYS  96  -6.193  -2.949  -7.307
  749    HD3  LYS  96           HD3      LYS  96  -7.776  -3.484  -7.895
  750    HE2  LYS  96           HE2      LYS  96  -7.969  -1.779  -9.474
  751    HE3  LYS  96           HE3      LYS  96  -6.868  -0.700  -8.612
  752    HZ1  LYS  96           HZ1      LYS  96  -5.024  -1.966  -9.282
  753    HZ2  LYS  96           HZ2      LYS  96  -5.962  -3.133 -10.021
  754    HZ3  LYS  96           HZ3      LYS  96  -5.872  -1.601 -10.613
  755    H    LEU  97           H        LEU  97  -6.871  -0.074  -2.435
  756    HA   LEU  97           HA       LEU  97  -5.193   2.247  -2.137
  757    HB2  LEU  97           HB2      LEU  97  -6.174   0.982  -0.225
  758    HB3  LEU  97           HB3      LEU  97  -5.156  -0.403  -0.635
  759    HG   LEU  97           HG       LEU  97  -3.113   0.960  -0.162
  760   HD11  LEU  97          HD11      LEU  97  -5.119   3.095   0.705
  761   HD12  LEU  97          HD12      LEU  97  -3.387   3.115   1.087
  762   HD13  LEU  97          HD13      LEU  97  -3.909   3.240  -0.593
  763   HD21  LEU  97          HD21      LEU  97  -3.374   0.981   2.269
  764   HD22  LEU  97          HD22      LEU  97  -5.143   0.898   2.100
  765   HD23  LEU  97          HD23      LEU  97  -4.122  -0.456   1.560
  766    H    SER  98           H        SER  98  -4.734  -0.999  -3.411
  767    HA   SER  98           HA       SER  98  -1.967  -1.299  -3.554
  768    HB2  SER  98           HB2      SER  98  -4.044  -2.101  -5.630
  769    HB3  SER  98           HB3      SER  98  -2.540  -2.919  -5.227
  770    HG   SER  98           HG       SER  98  -4.313  -3.937  -4.183
  771    H    ASP  99           H        ASP  99  -4.048   0.800  -5.400
  772    HA   ASP  99           HA       ASP  99  -1.951   1.339  -7.450
  773    HB2  ASP  99           HB2      ASP  99  -4.991   1.500  -7.522
  774    HB3  ASP  99           HB3      ASP  99  -3.967   2.267  -8.723
  775    H    ILE 100           H        ILE 100  -2.650   2.558  -4.560
  776    HA   ILE 100           HA       ILE 100  -2.728   5.404  -5.449
  777    HB   ILE 100           HB       ILE 100  -4.067   3.937  -3.216
  778   HG12  ILE 100          HG12      ILE 100  -5.020   4.825  -5.467
  779   HG13  ILE 100          HG13      ILE 100  -5.963   4.994  -3.987
  780   HG21  ILE 100          HG21      ILE 100  -3.245   6.851  -2.873
  781   HG22  ILE 100          HG22      ILE 100  -4.487   6.003  -1.924
  782   HG23  ILE 100          HG23      ILE 100  -2.808   5.469  -1.845
  783   HD11  ILE 100          HD11      ILE 100  -4.300   7.225  -5.201
  784   HD12  ILE 100          HD12      ILE 100  -6.035   6.961  -5.482
  785   HD13  ILE 100          HD13      ILE 100  -5.461   7.352  -3.855
  786    H    GLU 101           H        GLU 101  -1.310   6.754  -4.673
  787    HA   GLU 101           HA       GLU 101   0.741   5.827  -2.733
  788    HB2  GLU 101           HB2      GLU 101   1.595   5.649  -5.077
  789    HB3  GLU 101           HB3      GLU 101   1.311   7.384  -5.294
  790    HG2  GLU 101           HG2      GLU 101   2.882   7.845  -3.406
  791    HG3  GLU 101           HG3      GLU 101   3.152   6.110  -3.215
  792    H    ALA 102           H        ALA 102   0.595   7.191  -1.010
  793    HA   ALA 102           HA       ALA 102  -1.066   9.557  -1.148
  794    HB1  ALA 102           HB1      ALA 102   0.781   8.567   1.071
  795    HB2  ALA 102           HB2      ALA 102  -0.503   9.792   1.216
  796    HB3  ALA 102           HB3      ALA 102  -0.928   8.114   0.871
  797    H    ILE 103           H        ILE 103  -0.458  11.689  -0.950
  798    HA   ILE 103           HA       ILE 103   2.390  12.362  -1.564
  799    HB   ILE 103           HB       ILE 103  -0.218  13.724  -2.320
  800   HG12  ILE 103          HG12      ILE 103   1.931  12.570  -4.160
  801   HG13  ILE 103          HG13      ILE 103   0.513  11.659  -3.672
  802   HG21  ILE 103          HG21      ILE 103   2.634  14.613  -2.944
  803   HG22  ILE 103          HG22      ILE 103   1.147  15.384  -3.541
  804   HG23  ILE 103          HG23      ILE 103   1.515  15.430  -1.829
  805   HD11  ILE 103          HD11      ILE 103  -0.959  13.436  -4.653
  806   HD12  ILE 103          HD12      ILE 103   0.499  14.226  -5.305
  807   HD13  ILE 103          HD13      ILE 103   0.065  12.600  -5.826
  808    H    ASP 104           H        ASP 104   3.430  13.581  -0.175
  809    HA   ASP 104           HA       ASP 104   4.000  14.681   1.694
  810    HB2  ASP 104           HB2      ASP 104   3.362  16.396   0.046
  811    HB3  ASP 104           HB3      ASP 104   1.743  16.468   0.744
  812    H    VAL 105           H        VAL 105   2.447  12.528   2.470
  813    HA   VAL 105           HA       VAL 105   0.514  13.561   4.451
  814    HB   VAL 105           HB       VAL 105   0.039  11.759   2.671
  815   HG11  VAL 105          HG11      VAL 105   1.908  10.245   3.011
  816   HG12  VAL 105          HG12      VAL 105   1.415   9.976   4.691
  817   HG13  VAL 105          HG13      VAL 105   0.379   9.427   3.380
  818   HG21  VAL 105          HG21      VAL 105  -1.481  12.483   4.437
  819   HG22  VAL 105          HG22      VAL 105  -1.638  10.786   3.988
  820   HG23  VAL 105          HG23      VAL 105  -0.828  11.235   5.511
  821    H    ASP 106           H        ASP 106   0.461  12.184   6.604
  822    HA   ASP 106           HA       ASP 106   2.994  12.709   7.903
  823    HB2  ASP 106           HB2      ASP 106   0.663  12.955   8.947
  824    HB3  ASP 106           HB3      ASP 106   0.672  11.179   9.065
  825    H    ASP 107           H        ASP 107   3.902  11.057   9.362
  826    HA   ASP 107           HA       ASP 107   5.234   9.169   7.723
  827    HB2  ASP 107           HB2      ASP 107   6.257  10.173   9.695
  828    HB3  ASP 107           HB3      ASP 107   5.101   9.358  10.753
  829    H    ASP 108           H        ASP 108   2.705   8.537  10.231
  830    HA   ASP 108           HA       ASP 108   2.807   5.691   9.901
  831    HB2  ASP 108           HB2      ASP 108   0.713   7.569  11.051
  832    HB3  ASP 108           HB3      ASP 108   0.444   5.834  10.920
  833    H    THR 109           H        THR 109   0.823   8.258   8.324
  834    HA   THR 109           HA       THR 109  -0.886   6.383   6.974
  835    HB   THR 109           HB       THR 109  -0.247   9.280   6.238
  836    HG1  THR 109           HG1      THR 109  -1.076   9.256   8.318
  837   HG21  THR 109          HG21      THR 109  -1.524   8.099   4.462
  838   HG22  THR 109          HG22      THR 109  -2.719   7.589   5.685
  839   HG23  THR 109          HG23      THR 109  -2.527   9.289   5.320
  840    H    GLN 110           H        GLN 110   2.197   8.049   6.105
  841    HA   GLN 110           HA       GLN 110   2.343   7.011   3.463
  842    HB2  GLN 110           HB2      GLN 110   3.712   8.888   4.649
  843    HB3  GLN 110           HB3      GLN 110   4.760   7.593   5.221
  844    HG2  GLN 110           HG2      GLN 110   4.095   8.255   2.314
  845    HG3  GLN 110           HG3      GLN 110   5.570   8.719   3.149
  846   HE21  GLN 110          HE22      GLN 110   4.292   6.426   1.048
  847   HE22  GLN 110          HE21      GLN 110   5.411   5.119   1.341
  848    H    GLU 111           H        GLU 111   3.557   5.727   6.624
  849    HA   GLU 111           HA       GLU 111   4.832   3.447   5.564
  850    HB2  GLU 111           HB2      GLU 111   3.629   4.106   8.266
  851    HB3  GLU 111           HB3      GLU 111   4.307   2.511   7.960
  852    HG2  GLU 111           HG2      GLU 111   5.930   4.979   7.310
  853    HG3  GLU 111           HG3      GLU 111   5.794   4.406   8.971
  854    H    ALA 112           H        ALA 112   1.367   3.894   6.426
  855    HA   ALA 112           HA       ALA 112   0.654   1.153   6.022
  856    HB1  ALA 112           HB1      ALA 112  -0.943   3.703   5.672
  857    HB2  ALA 112           HB2      ALA 112  -1.641   2.068   5.705
  858    HB3  ALA 112           HB3      ALA 112  -0.832   2.721   7.143
  859    H    ILE 113           H        ILE 113   0.909   3.914   3.702
  860    HA   ILE 113           HA       ILE 113  -0.052   2.400   1.442
  861    HB   ILE 113           HB       ILE 113   1.405   5.006   1.852
  862   HG12  ILE 113          HG12      ILE 113  -0.547   5.630   0.137
  863   HG13  ILE 113          HG13      ILE 113  -1.206   4.063   0.590
  864   HG21  ILE 113          HG21      ILE 113   2.635   4.125  -0.074
  865   HG22  ILE 113          HG22      ILE 113   1.085   3.808  -0.909
  866   HG23  ILE 113          HG23      ILE 113   1.584   5.470  -0.488
  867   HD11  ILE 113          HD11      ILE 113  -0.469   6.346   2.439
  868   HD12  ILE 113          HD12      ILE 113  -2.117   5.919   1.924
  869   HD13  ILE 113          HD13      ILE 113  -1.208   4.803   2.960
  870    H    ALA 114           H        ALA 114   3.268   3.072   2.699
  871    HA   ALA 114           HA       ALA 114   4.643   1.650   0.678
  872    HB1  ALA 114           HB1      ALA 114   5.740   3.201   2.282
  873    HB2  ALA 114           HB2      ALA 114   5.423   2.057   3.605
  874    HB3  ALA 114           HB3      ALA 114   6.510   1.604   2.280
  875    H    ASP 115           H        ASP 115   3.400   0.611   3.853
  876    HA   ASP 115           HA       ASP 115   4.226  -2.056   3.904
  877    HB2  ASP 115           HB2      ASP 115   3.317  -1.030   5.848
  878    HB3  ASP 115           HB3      ASP 115   1.787  -0.681   5.038
  879    H    TRP 116           H        TRP 116   1.142  -0.706   2.547
  880    HA   TRP 116           HA       TRP 116   0.259  -3.310   1.746
  881    HB2  TRP 116           HB2      TRP 116  -1.198  -1.321   2.256
  882    HB3  TRP 116           HB3      TRP 116  -0.683  -0.608   0.724
  883    HD1  TRP 116           HD1      TRP 116  -2.153  -1.212  -1.251
  884    HE1  TRP 116           HE1      TRP 116  -3.752  -3.098  -1.937
  885    HE3  TRP 116           HE3      TRP 116  -1.679  -4.167   2.888
  886    HZ2  TRP 116           HZ2      TRP 116  -4.922  -5.453  -0.650
  887    HZ3  TRP 116           HZ3      TRP 116  -2.951  -6.279   3.065
  888    HH2  TRP 116           HH2      TRP 116  -4.597  -6.917   1.328
  889    H    LEU 117           H        LEU 117   2.122  -0.723   0.100
  890    HA   LEU 117           HA       LEU 117   2.037  -1.944  -2.496
  891    HB2  LEU 117           HB2      LEU 117   3.987  -0.018  -1.185
  892    HB3  LEU 117           HB3      LEU 117   4.168  -0.564  -2.847
  893    HG   LEU 117           HG       LEU 117   1.644   0.831  -1.848
  894   HD11  LEU 117          HD11      LEU 117   2.535   2.869  -2.897
  895   HD12  LEU 117          HD12      LEU 117   3.578   2.318  -1.577
  896   HD13  LEU 117          HD13      LEU 117   4.061   2.029  -3.264
  897   HD21  LEU 117          HD21      LEU 117   2.698   0.304  -4.658
  898   HD22  LEU 117          HD22      LEU 117   1.281  -0.458  -3.900
  899   HD23  LEU 117          HD23      LEU 117   1.261   1.268  -4.249
  900    H    TYR 118           H        TYR 118   4.259  -2.419   0.338
  901    HA   TYR 118           HA       TYR 118   5.990  -4.212  -1.044
  902    HB2  TYR 118           HB2      TYR 118   5.181  -4.506   1.860
  903    HB3  TYR 118           HB3      TYR 118   6.621  -5.132   1.092
  904    HD1  TYR 118           HD1      TYR 118   7.722  -2.692  -0.327
  905    HD2  TYR 118           HD2      TYR 118   5.949  -3.208   3.560
  906    HE1  TYR 118           HE1      TYR 118   9.005  -0.750   0.516
  907    HE2  TYR 118           HE2      TYR 118   7.138  -1.214   4.393
  908    HH   TYR 118           HH       TYR 118   9.467   0.621   2.370
  909    H    TRP 119           H        TRP 119   2.880  -4.793   0.718
  910    HA   TRP 119           HA       TRP 119   2.943  -7.630   0.376
  911    HB2  TRP 119           HB2      TRP 119   1.634  -6.621   2.097
  912    HB3  TRP 119           HB3      TRP 119   0.757  -5.618   0.950
  913    HD1  TRP 119           HD1      TRP 119  -1.213  -6.621  -0.349
  914    HE1  TRP 119           HE1      TRP 119  -2.700  -8.667  -0.006
  915    HE3  TRP 119           HE3      TRP 119   1.864  -9.315   2.720
  916    HZ2  TRP 119           HZ2      TRP 119  -2.647 -11.107   1.595
  917    HZ3  TRP 119           HZ3      TRP 119   1.131 -11.502   3.629
  918    HH2  TRP 119           HH2      TRP 119  -1.138 -12.378   3.113
  919    H    LEU 120           H        LEU 120   1.592  -4.975  -1.659
  920    HA   LEU 120           HA       LEU 120   0.342  -6.628  -3.568
  921    HB2  LEU 120           HB2      LEU 120   0.215  -4.092  -3.215
  922    HB3  LEU 120           HB3      LEU 120   1.738  -3.959  -4.067
  923    HG   LEU 120           HG       LEU 120  -0.153  -3.370  -5.439
  924   HD11  LEU 120          HD11      LEU 120   1.815  -4.437  -6.545
  925   HD12  LEU 120          HD12      LEU 120   0.917  -5.978  -6.559
  926   HD13  LEU 120          HD13      LEU 120   0.292  -4.572  -7.436
  927   HD21  LEU 120          HD21      LEU 120  -1.866  -4.811  -4.371
  928   HD22  LEU 120          HD22      LEU 120  -1.899  -4.883  -6.132
  929   HD23  LEU 120          HD23      LEU 120  -1.186  -6.225  -5.216
  930    H    ALA 121           H        ALA 121   3.697  -5.280  -3.465
  931    HA   ALA 121           HA       ALA 121   4.670  -6.590  -5.783
  932    HB1  ALA 121           HB1      ALA 121   5.798  -4.684  -4.669
  933    HB2  ALA 121           HB2      ALA 121   6.168  -5.720  -3.272
  934    HB3  ALA 121           HB3      ALA 121   6.894  -6.069  -4.851
  935    H    ARG 122           H        ARG 122   4.490  -7.679  -2.393
  936    HA   ARG 122           HA       ARG 122   6.022 -10.019  -2.546
  937    HB2  ARG 122           HB2      ARG 122   5.187  -8.898  -0.483
  938    HB3  ARG 122           HB3      ARG 122   3.556  -9.435  -0.861
  939    HG2  ARG 122           HG2      ARG 122   4.488 -10.719   0.912
  940    HG3  ARG 122           HG3      ARG 122   4.169 -11.767  -0.460
  941    HD2  ARG 122           HD2      ARG 122   6.928 -10.550  -0.017
  942    HD3  ARG 122           HD3      ARG 122   6.391 -11.975   0.897
  943    HE   ARG 122           HE       ARG 122   5.914 -12.422  -1.874
  944   HH11  ARG 122          HH11      ARG 122   8.558 -12.241   0.505
  945   HH12  ARG 122          HH12      ARG 122   9.567 -13.389  -0.323
  946   HH21  ARG 122          HH21      ARG 122   7.240 -13.967  -2.957
  947   HH22  ARG 122          HH22      ARG 122   8.793 -14.387  -2.340
  948    H    GLY 123           H        GLY 123   2.883  -9.393  -3.966
  949    HA2  GLY 123           HA2      GLY 123   2.051 -10.705  -5.682
  950    HA3  GLY 123           HA3      GLY 123   2.909 -12.125  -5.071
  951    H    TYR 124           H        TYR 124   1.083 -10.247  -2.747
  952    HA   TYR 124           HA       TYR 124  -0.560 -10.763  -1.324
  953    HB2  TYR 124           HB2      TYR 124  -1.647 -11.285  -4.039
  954    HB3  TYR 124           HB3      TYR 124  -2.611 -11.899  -2.722
  955    HD1  TYR 124           HD1      TYR 124  -0.636  -8.675  -2.912
  956    HD2  TYR 124           HD2      TYR 124  -4.518 -10.561  -2.735
  957    HE1  TYR 124           HE1      TYR 124  -1.723  -6.461  -2.854
  958    HE2  TYR 124           HE2      TYR 124  -5.600  -8.342  -2.737
  959    HH   TYR 124           HH       TYR 124  -5.264  -6.006  -2.787
  960    H    LYS 125           H        LYS 125  -2.142 -12.500  -0.533
  961    HA   LYS 125           HA       LYS 125  -1.287 -15.293  -1.043
  962    HB2  LYS 125           HB2      LYS 125  -1.668 -14.172   1.759
  963    HB3  LYS 125           HB3      LYS 125  -1.315 -15.850   1.333
  964    HG2  LYS 125           HG2      LYS 125   0.899 -15.090   0.411
  965    HG3  LYS 125           HG3      LYS 125   0.515 -13.446   0.980
  966    HD2  LYS 125           HD2      LYS 125   0.287 -14.346   3.310
  967    HD3  LYS 125           HD3      LYS 125   0.732 -15.956   2.712
  968    HE2  LYS 125           HE2      LYS 125   2.927 -15.047   1.946
  969    HE3  LYS 125           HE3      LYS 125   2.477 -13.454   2.571
  970    HZ1  LYS 125           HZ1      LYS 125   2.342 -14.453   4.786
  971    HZ2  LYS 125           HZ2      LYS 125   2.839 -15.905   4.196
  972    HZ3  LYS 125           HZ3      LYS 125   3.835 -14.599   4.164
  973    H    PHE 126           H        PHE 126  -3.644 -12.993   0.387
  974    HA   PHE 126           HA       PHE 126  -5.956 -14.516  -0.404
  975    HB2  PHE 126           HB2      PHE 126  -6.764 -14.329   2.100
  976    HB3  PHE 126           HB3      PHE 126  -5.819 -15.704   1.586
  977    HD1  PHE 126           HD2      PHE 126  -5.524 -12.401   3.356
  978    HD2  PHE 126           HD1      PHE 126  -3.740 -16.252   2.586
  979    HE1  PHE 126           HE2      PHE 126  -3.879 -12.020   5.182
  980    HE2  PHE 126           HE1      PHE 126  -2.034 -15.813   4.335
  981    HZ   PHE 126           HZ       PHE 126  -2.110 -13.702   5.644
  Start of MODEL   12
    1    H1   MET   1           H1       MET   1  10.959 -12.825  -7.907
    2    H2   MET   1           H2       MET   1  11.384 -14.285  -7.283
    3    H3   MET   1           H3       MET   1   9.870 -13.701  -7.067
    4    HA   MET   1           HA       MET   1  11.106 -13.461  -5.041
    5    HB2  MET   1           HB2      MET   1  12.973 -11.773  -6.774
    6    HB3  MET   1           HB3      MET   1  12.955 -11.746  -5.010
    7    HG2  MET   1           HG2      MET   1  13.478 -14.165  -4.951
    8    HG3  MET   1           HG3      MET   1  13.565 -14.186  -6.718
    9    HE1  MET   1           HE1      MET   1  15.945 -15.317  -6.590
   10    HE2  MET   1           HE2      MET   1  17.300 -14.665  -5.643
   11    HE3  MET   1           HE3      MET   1  15.858 -15.291  -4.813
   12    H    ALA   2           H        ALA   2  10.364 -11.865  -3.625
   13    HA   ALA   2           HA       ALA   2   8.380  -9.993  -4.510
   14    HB1  ALA   2           HB1      ALA   2   8.326 -10.819  -2.243
   15    HB2  ALA   2           HB2      ALA   2   9.991 -10.265  -1.923
   16    HB3  ALA   2           HB3      ALA   2   8.700  -9.084  -2.162
   17    H    SER   3           H        SER   3   8.536  -7.818  -4.986
   18    HA   SER   3           HA       SER   3  11.092  -6.804  -5.804
   19    HB2  SER   3           HB2      SER   3   8.426  -5.336  -5.669
   20    HB3  SER   3           HB3      SER   3   9.806  -4.969  -6.717
   21    HG   SER   3           HG       SER   3   8.175  -6.126  -7.821
   22    H    VAL   4           H        VAL   4  10.492  -7.196  -2.847
   23    HA   VAL   4           HA       VAL   4  11.650  -4.653  -1.880
   24    HB   VAL   4           HB       VAL   4   9.271  -4.498  -1.575
   25   HG11  VAL   4          HG11      VAL   4   8.443  -6.700  -1.595
   26   HG12  VAL   4          HG12      VAL   4   9.411  -7.193  -0.201
   27   HG13  VAL   4          HG13      VAL   4   8.049  -6.067   0.001
   28   HG21  VAL   4          HG21      VAL   4   9.069  -4.014   0.763
   29   HG22  VAL   4          HG22      VAL   4  10.522  -4.957   1.138
   30   HG23  VAL   4          HG23      VAL   4  10.641  -3.479   0.153
   31    H    GLU   5           H        GLU   5  12.052  -7.879  -2.282
   32    HA   GLU   5           HA       GLU   5  13.148  -9.590  -1.343
   33    HB2  GLU   5           HB2      GLU   5  15.115  -7.287  -1.226
   34    HB3  GLU   5           HB3      GLU   5  15.556  -8.997  -1.114
   35    HG2  GLU   5           HG2      GLU   5  14.548  -9.408  -3.347
   36    HG3  GLU   5           HG3      GLU   5  14.135  -7.697  -3.479
   37    H    ARG   6           H        ARG   6  14.572  -7.166   0.850
   38    HA   ARG   6           HA       ARG   6  14.888  -9.090   2.956
   39    HB2  ARG   6           HB2      ARG   6  15.855  -7.126   4.182
   40    HB3  ARG   6           HB3      ARG   6  16.570  -7.469   2.626
   41    HG2  ARG   6           HG2      ARG   6  16.356  -5.073   3.051
   42    HG3  ARG   6           HG3      ARG   6  15.505  -5.559   1.592
   43    HD2  ARG   6           HD2      ARG   6  13.342  -5.342   2.698
   44    HD3  ARG   6           HD3      ARG   6  14.125  -5.135   4.271
   45    HE   ARG   6           HE       ARG   6  14.620  -2.959   3.813
   46   HH11  ARG   6          HH11      ARG   6  13.319  -4.412   0.810
   47   HH12  ARG   6          HH12      ARG   6  13.302  -2.903  -0.033
   48   HH21  ARG   6          HH21      ARG   6  14.520  -0.982   2.678
   49   HH22  ARG   6          HH22      ARG   6  13.926  -0.918   1.065
   50    H    ASP   7           H        ASP   7  12.050  -8.148   2.168
   51    HA   ASP   7           HA       ASP   7  10.941  -6.521   4.175
   52    HB2  ASP   7           HB2      ASP   7  10.102  -7.061   1.861
   53    HB3  ASP   7           HB3      ASP   7   9.508  -8.599   2.479
   54    H    GLU   8           H        GLU   8  11.965  -9.734   4.654
   55    HA   GLU   8           HA       GLU   8   9.810 -10.851   6.024
   56    HB2  GLU   8           HB2      GLU   8  11.389 -12.471   6.918
   57    HB3  GLU   8           HB3      GLU   8  11.707 -12.153   5.212
   58    HG2  GLU   8           HG2      GLU   8  13.588 -10.638   5.852
   59    HG3  GLU   8           HG3      GLU   8  13.276 -10.981   7.555
   60    H    THR   9           H        THR   9  12.056  -8.417   7.253
   61    HA   THR   9           HA       THR   9  11.525  -8.631  10.045
   62    HB   THR   9           HB       THR   9  11.929  -6.063   9.710
   63    HG1  THR   9           HG1      THR   9  12.805  -5.499   7.745
   64   HG21  THR   9          HG21      THR   9  14.369  -6.421   9.403
   65   HG22  THR   9          HG22      THR   9  13.690  -7.644  10.488
   66   HG23  THR   9          HG23      THR   9  14.057  -8.066   8.801
   67    H    ARG  10           H        ARG  10   9.829  -7.040   7.364
   68    HA   ARG  10           HA       ARG  10   7.790  -5.873   9.095
   69    HB2  ARG  10           HB2      ARG  10   7.655  -6.236   6.075
   70    HB3  ARG  10           HB3      ARG  10   6.640  -5.211   7.092
   71    HG2  ARG  10           HG2      ARG  10   8.842  -4.014   7.788
   72    HG3  ARG  10           HG3      ARG  10   9.581  -4.855   6.410
   73    HD2  ARG  10           HD2      ARG  10   7.748  -3.833   4.951
   74    HD3  ARG  10           HD3      ARG  10   7.230  -2.920   6.359
   75    HE   ARG  10           HE       ARG  10   9.138  -1.594   6.284
   76   HH11  ARG  10          HH11      ARG  10   9.300  -4.073   3.714
   77   HH12  ARG  10          HH12      ARG  10  10.484  -3.201   2.795
   78   HH21  ARG  10          HH21      ARG  10  10.734  -0.490   5.068
   79   HH22  ARG  10          HH22      ARG  10  11.328  -1.139   3.591
   80    H    GLU  11           H        GLU  11   8.117  -8.843   7.066
   81    HA   GLU  11           HA       GLU  11   5.450  -9.733   7.418
   82    HB2  GLU  11           HB2      GLU  11   7.980 -11.409   7.195
   83    HB3  GLU  11           HB3      GLU  11   6.333 -12.022   7.085
   84    HG2  GLU  11           HG2      GLU  11   5.895 -10.569   5.128
   85    HG3  GLU  11           HG3      GLU  11   7.546  -9.950   5.213
   86    H    HIS  12           H        HIS  12   8.278 -10.134   9.631
   87    HA   HIS  12           HA       HIS  12   6.800 -11.650  11.585
   88    HB2  HIS  12           HB2      HIS  12   9.310  -9.944  11.786
   89    HB3  HIS  12           HB3      HIS  12   8.604 -10.781  13.163
   90    HD1  HIS  12           HD1      HIS  12  10.132 -11.706   9.720
   91    HD2  HIS  12           HD2      HIS  12   9.172 -13.313  13.491
   92    HE1  HIS  12           HE1      HIS  12  11.140 -14.051   9.779
   93    H    ARG  13           H        ARG  13   7.340  -8.095  11.189
   94    HA   ARG  13           HA       ARG  13   5.993  -7.353  13.599
   95    HB2  ARG  13           HB2      ARG  13   6.480  -5.840  11.024
   96    HB3  ARG  13           HB3      ARG  13   5.726  -5.132  12.458
   97    HG2  ARG  13           HG2      ARG  13   7.707  -5.648  13.831
   98    HG3  ARG  13           HG3      ARG  13   8.475  -6.476  12.473
   99    HD2  ARG  13           HD2      ARG  13   9.437  -4.311  12.651
  100    HD3  ARG  13           HD3      ARG  13   8.451  -4.381  11.175
  101    HE   ARG  13           HE       ARG  13   6.967  -3.335  13.424
  102   HH11  ARG  13          HH11      ARG  13   9.416  -2.370  11.044
  103   HH12  ARG  13          HH12      ARG  13   9.001  -0.697  11.081
  104   HH21  ARG  13          HH21      ARG  13   6.405  -1.105  13.471
  105   HH22  ARG  13          HH22      ARG  13   7.257   0.035  12.502
  106    H    ILE  14           H        ILE  14   4.776  -7.858  10.278
  107    HA   ILE  14           HA       ILE  14   2.044  -7.162  10.703
  108    HB   ILE  14           HB       ILE  14   3.526  -8.993   8.780
  109   HG12  ILE  14          HG12      ILE  14   2.062  -6.421   8.116
  110   HG13  ILE  14          HG13      ILE  14   3.705  -6.383   8.719
  111   HG21  ILE  14          HG21      ILE  14   1.312  -9.949   8.934
  112   HG22  ILE  14          HG22      ILE  14   0.553  -8.353   8.698
  113   HG23  ILE  14          HG23      ILE  14   1.474  -9.130   7.394
  114   HD11  ILE  14          HD11      ILE  14   4.457  -7.786   6.810
  115   HD12  ILE  14          HD12      ILE  14   2.808  -7.786   6.166
  116   HD13  ILE  14          HD13      ILE  14   3.712  -6.268   6.296
  117    H    GLU  15           H        GLU  15   3.731 -10.364  10.881
  118    HA   GLU  15           HA       GLU  15   1.494 -11.839  11.661
  119    HB2  GLU  15           HB2      GLU  15   3.561 -12.820  10.844
  120    HB3  GLU  15           HB3      GLU  15   4.448 -12.264  12.270
  121    HG2  GLU  15           HG2      GLU  15   3.137 -13.724  13.721
  122    HG3  GLU  15           HG3      GLU  15   2.101 -14.200  12.369
  123    H    THR  16           H        THR  16   3.872 -10.143  13.754
  124    HA   THR  16           HA       THR  16   2.634 -11.217  16.142
  125    HB   THR  16           HB       THR  16   4.411  -9.816  17.280
  126    HG1  THR  16           HG1      THR  16   5.379  -9.458  14.640
  127   HG21  THR  16          HG21      THR  16   5.335 -11.758  15.114
  128   HG22  THR  16          HG22      THR  16   6.267 -11.251  16.542
  129   HG23  THR  16          HG23      THR  16   4.774 -12.179  16.743
  130    H    GLU  17           H        GLU  17   1.340  -8.897  14.293
  131    HA   GLU  17           HA       GLU  17   0.081  -7.590  16.615
  132    HB2  GLU  17           HB2      GLU  17   2.158  -6.274  16.072
  133    HB3  GLU  17           HB3      GLU  17   1.450  -5.874  14.502
  134    HG2  GLU  17           HG2      GLU  17  -0.403  -4.711  15.582
  135    HG3  GLU  17           HG3      GLU  17   0.096  -5.289  17.172
  136    H    ILE  18           H        ILE  18   0.192  -7.602  12.982
  137    HA   ILE  18           HA       ILE  18  -2.451  -6.369  12.918
  138    HB   ILE  18           HB       ILE  18  -0.757  -7.454  10.631
  139   HG12  ILE  18          HG12      ILE  18  -0.862  -4.692  11.918
  140   HG13  ILE  18          HG13      ILE  18   0.527  -5.771  11.839
  141   HG21  ILE  18          HG21      ILE  18  -3.019  -5.407  10.589
  142   HG22  ILE  18          HG22      ILE  18  -2.120  -6.027   9.185
  143   HG23  ILE  18          HG23      ILE  18  -3.187  -7.092  10.076
  144   HD11  ILE  18          HD11      ILE  18   0.921  -4.089  10.228
  145   HD12  ILE  18          HD12      ILE  18   0.448  -5.535   9.311
  146   HD13  ILE  18          HD13      ILE  18  -0.711  -4.212   9.555
  147    H    ILE  19           H        ILE  19  -1.067  -9.618  12.226
  148    HA   ILE  19           HA       ILE  19  -3.845 -10.683  11.960
  149    HB   ILE  19           HB       ILE  19  -2.976 -12.135  10.237
  150   HG12  ILE  19          HG12      ILE  19  -0.418 -10.488  10.366
  151   HG13  ILE  19          HG13      ILE  19  -0.593 -12.082  11.120
  152   HG21  ILE  19          HG21      ILE  19  -4.021  -9.880   9.733
  153   HG22  ILE  19          HG22      ILE  19  -2.375  -9.238   9.531
  154   HG23  ILE  19          HG23      ILE  19  -2.972 -10.519   8.469
  155   HD11  ILE  19          HD11      ILE  19  -1.246 -13.026   8.950
  156   HD12  ILE  19          HD12      ILE  19  -0.896 -11.448   8.188
  157   HD13  ILE  19          HD13      ILE  19   0.414 -12.365   8.979
  158    H    VAL  20           H        VAL  20  -1.942 -10.742  14.365
  159    HA   VAL  20           HA       VAL  20  -0.713 -13.084  14.778
  160    HB   VAL  20           HB       VAL  20  -0.764 -11.131  16.279
  161   HG11  VAL  20          HG11      VAL  20  -2.409 -10.938  18.073
  162   HG12  VAL  20          HG12      VAL  20  -3.223 -10.834  16.506
  163   HG13  VAL  20          HG13      VAL  20  -3.307 -12.338  17.453
  164   HG21  VAL  20          HG21      VAL  20   0.310 -13.239  16.979
  165   HG22  VAL  20          HG22      VAL  20  -0.356 -12.343  18.356
  166   HG23  VAL  20          HG23      VAL  20  -1.214 -13.769  17.729
  167    H    ASP  21           H        ASP  21  -4.277 -12.847  15.109
  168    HA   ASP  21           HA       ASP  21  -4.367 -15.751  15.753
  169    HB2  ASP  21           HB2      ASP  21  -5.414 -14.168  17.331
  170    HB3  ASP  21           HB3      ASP  21  -6.475 -13.588  16.046
  171    H    ALA  22           H        ALA  22  -4.289 -13.949  13.099
  172    HA   ALA  22           HA       ALA  22  -6.701 -14.939  11.720
  173    HB1  ALA  22           HB1      ALA  22  -4.994 -12.500  11.195
  174    HB2  ALA  22           HB2      ALA  22  -6.330 -13.070  10.193
  175    HB3  ALA  22           HB3      ALA  22  -6.645 -12.531  11.860
  176    H    GLU  23           H        GLU  23  -6.439 -16.284  10.246
  177    HA   GLU  23           HA       GLU  23  -4.182 -16.325   8.399
  178    HB2  GLU  23           HB2      GLU  23  -3.294 -18.325   8.714
  179    HB3  GLU  23           HB3      GLU  23  -3.491 -17.684  10.346
  180    HG2  GLU  23           HG2      GLU  23  -5.330 -19.745   9.096
  181    HG3  GLU  23           HG3      GLU  23  -3.873 -20.164   9.985
  182    H    ASP  24           H        ASP  24  -7.401 -17.151   9.226
  183    HA   ASP  24           HA       ASP  24  -8.028 -18.616   6.773
  184    HB2  ASP  24           HB2      ASP  24  -9.824 -17.205   8.786
  185    HB3  ASP  24           HB3      ASP  24 -10.336 -18.269   7.490
  186    H    LYS  25           H        LYS  25  -8.777 -17.451   4.907
  187    HA   LYS  25           HA       LYS  25  -7.392 -15.047   4.523
  188    HB2  LYS  25           HB2      LYS  25  -8.400 -14.902   2.342
  189    HB3  LYS  25           HB3      LYS  25  -7.944 -16.563   2.724
  190    HG2  LYS  25           HG2      LYS  25 -10.367 -17.013   3.341
  191    HG3  LYS  25           HG3      LYS  25 -10.751 -15.362   2.848
  192    HD2  LYS  25           HD2      LYS  25 -11.335 -16.886   1.068
  193    HD3  LYS  25           HD3      LYS  25  -9.995 -15.850   0.546
  194    HE2  LYS  25           HE2      LYS  25  -8.387 -17.676   1.033
  195    HE3  LYS  25           HE3      LYS  25  -9.706 -18.699   1.611
  196    HZ1  LYS  25           HZ1      LYS  25  -9.113 -19.225  -0.669
  197    HZ2  LYS  25           HZ2      LYS  25 -10.637 -18.655  -0.632
  198    HZ3  LYS  25           HZ3      LYS  25  -9.418 -17.706  -1.169
  199    H    GLU  26           H        GLU  26 -10.765 -15.423   5.526
  200    HA   GLU  26           HA       GLU  26 -11.528 -12.687   5.005
  201    HB2  GLU  26           HB2      GLU  26 -12.678 -14.807   6.880
  202    HB3  GLU  26           HB3      GLU  26 -13.428 -13.240   6.548
  203    HG2  GLU  26           HG2      GLU  26 -13.568 -13.821   4.129
  204    HG3  GLU  26           HG3      GLU  26 -12.869 -15.404   4.470
  205    H    GLU  27           H        GLU  27 -10.038 -14.445   7.774
  206    HA   GLU  27           HA       GLU  27 -10.323 -12.258   9.645
  207    HB2  GLU  27           HB2      GLU  27  -8.265 -14.480   9.589
  208    HB3  GLU  27           HB3      GLU  27  -8.699 -13.468  10.970
  209    HG2  GLU  27           HG2      GLU  27 -10.886 -14.473  11.120
  210    HG3  GLU  27           HG3      GLU  27 -10.607 -15.422   9.652
  211    H    ARG  28           H        ARG  28  -7.694 -13.502   7.461
  212    HA   ARG  28           HA       ARG  28  -5.822 -11.486   8.326
  213    HB2  ARG  28           HB2      ARG  28  -5.971 -13.193   5.810
  214    HB3  ARG  28           HB3      ARG  28  -4.748 -11.922   6.006
  215    HG2  ARG  28           HG2      ARG  28  -4.056 -12.903   8.181
  216    HG3  ARG  28           HG3      ARG  28  -5.196 -14.231   7.944
  217    HD2  ARG  28           HD2      ARG  28  -2.979 -13.564   5.968
  218    HD3  ARG  28           HD3      ARG  28  -2.722 -14.626   7.360
  219    HE   ARG  28           HE       ARG  28  -4.909 -15.769   6.210
  220   HH11  ARG  28          HH21      ARG  28  -1.729 -14.892   4.929
  221   HH12  ARG  28          HH22      ARG  28  -1.786 -16.045   3.640
  222   HH21  ARG  28          HH11      ARG  28  -4.769 -17.559   4.896
  223   HH22  ARG  28          HH12      ARG  28  -3.525 -17.709   3.694
  224    H    ALA  29           H        ALA  29  -8.204 -11.434   5.619
  225    HA   ALA  29           HA       ALA  29  -7.538  -8.876   4.683
  226    HB1  ALA  29           HB1      ALA  29  -9.063 -10.501   3.567
  227    HB2  ALA  29           HB2      ALA  29 -10.287 -10.194   4.813
  228    HB3  ALA  29           HB3      ALA  29  -9.770  -8.885   3.718
  229    H    MET  30           H        MET  30  -9.871  -9.807   7.316
  230    HA   MET  30           HA       MET  30 -10.568  -7.093   7.895
  231    HB2  MET  30           HB2      MET  30 -10.838  -9.652   9.489
  232    HB3  MET  30           HB3      MET  30 -11.432  -8.090  10.054
  233    HG2  MET  30           HG2      MET  30 -12.300  -9.463   7.479
  234    HG3  MET  30           HG3      MET  30 -13.191  -9.419   8.987
  235    HE1  MET  30           HE1      MET  30 -12.542  -7.966   5.649
  236    HE2  MET  30           HE2      MET  30 -13.279  -6.351   5.639
  237    HE3  MET  30           HE3      MET  30 -11.649  -6.574   6.273
  238    H    GLY  31           H        GLY  31  -8.004  -9.169   9.294
  239    HA2  GLY  31           HA2      GLY  31  -7.230  -7.442  11.397
  240    HA3  GLY  31           HA3      GLY  31  -6.176  -8.590  10.540
  241    H    TRP  32           H        TRP  32  -6.072  -7.655   7.979
  242    HA   TRP  32           HA       TRP  32  -4.400  -5.361   8.035
  243    HB2  TRP  32           HB2      TRP  32  -5.896  -6.853   5.855
  244    HB3  TRP  32           HB3      TRP  32  -5.066  -5.346   5.508
  245    HD1  TRP  32           HD1      TRP  32  -4.372  -8.952   5.647
  246    HE1  TRP  32           HE1      TRP  32  -1.865  -9.392   5.362
  247    HE3  TRP  32           HE3      TRP  32  -2.674  -4.216   6.413
  248    HZ2  TRP  32           HZ2      TRP  32   0.594  -7.844   5.502
  249    HZ3  TRP  32           HZ3      TRP  32  -0.253  -3.698   6.298
  250    HH2  TRP  32           HH2      TRP  32   1.388  -5.498   5.826
  251    H    TYR  33           H        TYR  33  -7.896  -5.684   7.139
  252    HA   TYR  33           HA       TYR  33  -8.248  -3.078   6.256
  253    HB2  TYR  33           HB2      TYR  33  -9.911  -4.781   5.847
  254    HB3  TYR  33           HB3      TYR  33 -10.176  -5.011   7.571
  255    HD1  TYR  33           HD2      TYR  33 -10.310  -2.260   5.026
  256    HD2  TYR  33           HD1      TYR  33 -12.033  -3.988   8.574
  257    HE1  TYR  33           HE2      TYR  33 -12.074  -0.541   4.993
  258    HE2  TYR  33           HE1      TYR  33 -13.790  -2.248   8.569
  259    HH   TYR  33           HH       TYR  33 -14.056   0.192   5.935
  260    H    TYR  34           H        TYR  34  -8.979  -4.302   9.604
  261    HA   TYR  34           HA       TYR  34  -9.859  -1.678  10.394
  262    HB2  TYR  34           HB2      TYR  34  -9.177  -4.155  12.015
  263    HB3  TYR  34           HB3      TYR  34  -9.876  -2.689  12.685
  264    HD1  TYR  34           HD2      TYR  34 -12.067  -1.792  11.291
  265    HD2  TYR  34           HD1      TYR  34 -10.703  -5.879  11.487
  266    HE1  TYR  34           HE2      TYR  34 -14.381  -2.568  10.948
  267    HE2  TYR  34           HE1      TYR  34 -13.022  -6.669  11.084
  268    HH   TYR  34           HH       TYR  34 -15.791  -4.410  10.709
  269    H    TYR  35           H        TYR  35  -6.696  -3.362  10.587
  270    HA   TYR  35           HA       TYR  35  -5.506  -1.415  12.366
  271    HB2  TYR  35           HB2      TYR  35  -4.701  -3.761  11.892
  272    HB3  TYR  35           HB3      TYR  35  -4.250  -3.253  10.271
  273    HD1  TYR  35           HD1      TYR  35  -2.293  -1.740   9.926
  274    HD2  TYR  35           HD2      TYR  35  -3.407  -3.168  13.843
  275    HE1  TYR  35           HE1      TYR  35  -0.032  -1.186  10.763
  276    HE2  TYR  35           HE2      TYR  35  -1.147  -2.635  14.686
  277    HH   TYR  35           HH       TYR  35   1.012  -2.029  14.107
  278    H    LEU  36           H        LEU  36  -5.770  -1.700   8.763
  279    HA   LEU  36           HA       LEU  36  -4.151   0.607   8.240
  280    HB2  LEU  36           HB2      LEU  36  -5.964  -1.176   6.651
  281    HB3  LEU  36           HB3      LEU  36  -5.762   0.460   6.059
  282    HG   LEU  36           HG       LEU  36  -3.443   0.288   5.789
  283   HD11  LEU  36          HD11      LEU  36  -3.516  -2.339   7.303
  284   HD12  LEU  36          HD12      LEU  36  -2.138  -1.809   6.303
  285   HD13  LEU  36          HD13      LEU  36  -2.612  -0.868   7.711
  286   HD21  LEU  36          HD21      LEU  36  -4.609  -2.397   4.923
  287   HD22  LEU  36          HD22      LEU  36  -4.923  -0.859   4.103
  288   HD23  LEU  36          HD23      LEU  36  -3.276  -1.510   4.149
  289    H    ASP  37           H        ASP  37  -7.786   0.176   8.529
  290    HA   ASP  37           HA       ASP  37  -8.338   2.955   8.213
  291    HB2  ASP  37           HB2      ASP  37 -10.253   1.442   8.555
  292    HB3  ASP  37           HB3      ASP  37  -9.667   0.988  10.148
  293    H    ASP  38           H        ASP  38  -7.377   1.082  11.219
  294    HA   ASP  38           HA       ASP  38  -7.844   3.422  12.506
  295    HB2  ASP  38           HB2      ASP  38  -7.795   1.278  13.701
  296    HB3  ASP  38           HB3      ASP  38  -6.037   1.475  13.849
  297    H    THR  39           H        THR  39  -5.073   2.586  10.734
  298    HA   THR  39           HA       THR  39  -3.204   4.397  12.108
  299    HB   THR  39           HB       THR  39  -3.050   2.829   9.489
  300    HG1  THR  39           HG1      THR  39  -3.240   1.411  11.161
  301   HG21  THR  39          HG21      THR  39  -1.472   4.654   9.590
  302   HG22  THR  39          HG22      THR  39  -0.877   4.141  11.182
  303   HG23  THR  39          HG23      THR  39  -0.608   3.115   9.744
  304    H    LEU  40           H        LEU  40  -5.145   4.286   9.083
  305    HA   LEU  40           HA       LEU  40  -4.383   6.863   8.088
  306    HB2  LEU  40           HB2      LEU  40  -6.920   5.234   7.681
  307    HB3  LEU  40           HB3      LEU  40  -6.441   6.610   6.694
  308    HG   LEU  40           HG       LEU  40  -4.707   4.125   6.908
  309   HD11  LEU  40          HD11      LEU  40  -5.768   3.306   4.839
  310   HD12  LEU  40          HD12      LEU  40  -6.971   3.466   6.120
  311   HD13  LEU  40          HD13      LEU  40  -6.883   4.691   4.834
  312   HD21  LEU  40          HD21      LEU  40  -3.543   5.997   5.953
  313   HD22  LEU  40          HD22      LEU  40  -3.885   4.807   4.701
  314   HD23  LEU  40          HD23      LEU  40  -4.861   6.282   4.787
  315    H    GLU  41           H        GLU  41  -5.386   8.834   8.306
  316    HA   GLU  41           HA       GLU  41  -7.785   9.096  10.060
  317    HB2  GLU  41           HB2      GLU  41  -5.297  10.838   9.895
  318    HB3  GLU  41           HB3      GLU  41  -6.789  11.339  10.701
  319    HG2  GLU  41           HG2      GLU  41  -5.215   8.841  11.449
  320    HG3  GLU  41           HG3      GLU  41  -5.013  10.405  12.220
  321    H    PHE  42           H        PHE  42  -8.339   8.509   7.619
  322    HA   PHE  42           HA       PHE  42  -8.380  10.585   5.684
  323    HB2  PHE  42           HB2      PHE  42 -10.149   9.141   4.615
  324    HB3  PHE  42           HB3      PHE  42  -8.651   8.342   4.974
  325    HD1  PHE  42           HD2      PHE  42 -12.096   8.852   6.420
  326    HD2  PHE  42           HD1      PHE  42  -8.713   6.222   5.902
  327    HE1  PHE  42           HE2      PHE  42 -13.391   6.983   7.405
  328    HE2  PHE  42           HE1      PHE  42 -10.012   4.360   6.904
  329    HZ   PHE  42           HZ       PHE  42 -12.361   4.735   7.635
  330    HA   PRO  43           HA       PRO  43 -10.450  11.045   3.915
  331    HB2  PRO  43           HB2      PRO  43 -11.101  13.558   3.077
  332    HB3  PRO  43           HB3      PRO  43 -12.307  12.301   3.482
  333    HG2  PRO  43           HG2      PRO  43 -11.294  14.537   5.261
  334    HG3  PRO  43           HG3      PRO  43 -12.993  14.055   4.945
  335    HD2  PRO  43           HD2      PRO  43 -11.658  13.195   7.152
  336    HD3  PRO  43           HD3      PRO  43 -12.784  12.113   6.283
  337    H    PHE  44           H        PHE  44  -8.835  11.769   2.424
  338    HA   PHE  44           HA       PHE  44  -6.921  13.820   3.209
  339    HB2  PHE  44           HB2      PHE  44  -4.999  12.439   3.326
  340    HB3  PHE  44           HB3      PHE  44  -6.127  11.865   4.517
  341    HD1  PHE  44           HD1      PHE  44  -4.513  11.100   1.266
  342    HD2  PHE  44           HD2      PHE  44  -6.913   9.575   4.467
  343    HE1  PHE  44           HE1      PHE  44  -4.217   8.819   0.371
  344    HE2  PHE  44           HE2      PHE  44  -6.668   7.276   3.563
  345    HZ   PHE  44           HZ       PHE  44  -5.308   6.887   1.517
  346    H    MET  45           H        MET  45  -5.165  13.983   1.375
  347    HA   MET  45           HA       MET  45  -6.584  13.637  -1.213
  348    HB2  MET  45           HB2      MET  45  -5.790  15.881  -0.458
  349    HB3  MET  45           HB3      MET  45  -4.131  15.262  -0.403
  350    HG2  MET  45           HG2      MET  45  -4.279  14.764  -2.847
  351    HG3  MET  45           HG3      MET  45  -5.902  15.462  -2.865
  352    HE1  MET  45           HE1      MET  45  -5.160  17.016  -4.857
  353    HE2  MET  45           HE2      MET  45  -3.629  17.924  -4.870
  354    HE3  MET  45           HE3      MET  45  -3.617  16.142  -4.778
  355    H    GLY  46           H        GLY  46  -5.593  12.463  -3.014
  356    HA2  GLY  46           HA2      GLY  46  -2.824  11.622  -2.718
  357    HA3  GLY  46           HA3      GLY  46  -3.994  10.296  -2.709
  358    H    LYS  47           H        LYS  47  -2.225  10.237  -4.626
  359    HA   LYS  47           HA       LYS  47  -3.647  11.150  -7.086
  360    HB2  LYS  47           HB2      LYS  47  -1.056  11.578  -6.803
  361    HB3  LYS  47           HB3      LYS  47  -0.885   9.842  -6.954
  362    HG2  LYS  47           HG2      LYS  47  -0.538  10.675  -9.141
  363    HG3  LYS  47           HG3      LYS  47  -2.171  10.024  -9.172
  364    HD2  LYS  47           HD2      LYS  47  -2.295  12.100 -10.311
  365    HD3  LYS  47           HD3      LYS  47  -2.998  12.423  -8.725
  366    HE2  LYS  47           HE2      LYS  47  -0.963  13.493  -7.950
  367    HE3  LYS  47           HE3      LYS  47  -0.084  12.993  -9.401
  368    HZ1  LYS  47           HZ1      LYS  47  -0.845  15.325  -9.460
  369    HZ2  LYS  47           HZ2      LYS  47  -1.431  14.463 -10.710
  370    HZ3  LYS  47           HZ3      LYS  47  -2.411  14.839  -9.461
  371    H    TRP  48           H        TRP  48  -4.842   9.600  -8.085
  372    HA   TRP  48           HA       TRP  48  -4.592   6.766  -7.256
  373    HB2  TRP  48           HB2      TRP  48  -6.852   7.776  -7.610
  374    HB3  TRP  48           HB3      TRP  48  -6.432   8.124  -9.278
  375    HD1  TRP  48           HD1      TRP  48  -5.063   4.811  -8.633
  376    HE1  TRP  48           HE1      TRP  48  -6.534   2.944  -9.457
  377    HE3  TRP  48           HE3      TRP  48  -9.347   7.511  -9.282
  378    HZ2  TRP  48           HZ2      TRP  48  -9.329   2.626 -10.267
  379    HZ3  TRP  48           HZ3      TRP  48 -11.397   6.398 -10.118
  380    HH2  TRP  48           HH2      TRP  48 -11.407   3.963 -10.607
  381    H    LYS  49           H        LYS  49  -2.770   5.883  -8.148
  382    HA   LYS  49           HA       LYS  49  -1.773   6.630 -10.817
  383    HB2  LYS  49           HB2      LYS  49  -0.789   4.959  -8.466
  384    HB3  LYS  49           HB3      LYS  49  -0.143   4.679 -10.083
  385    HG2  LYS  49           HG2      LYS  49   0.525   7.005 -10.306
  386    HG3  LYS  49           HG3      LYS  49  -0.127   7.392  -8.702
  387    HD2  LYS  49           HD2      LYS  49   1.533   6.076  -7.598
  388    HD3  LYS  49           HD3      LYS  49   2.005   5.252  -9.104
  389    HE2  LYS  49           HE2      LYS  49   2.883   7.307 -10.046
  390    HE3  LYS  49           HE3      LYS  49   2.330   8.246  -8.649
  391    HZ1  LYS  49           HZ1      LYS  49   3.878   7.064  -7.257
  392    HZ2  LYS  49           HZ2      LYS  49   4.373   6.105  -8.504
  393    HZ3  LYS  49           HZ3      LYS  49   4.692   7.705  -8.522
  394    H    LYS  50           H        LYS  50  -3.948   6.048 -11.617
  395    HA   LYS  50           HA       LYS  50  -5.121   3.491 -11.189
  396    HB2  LYS  50           HB2      LYS  50  -6.371   5.510 -11.925
  397    HB3  LYS  50           HB3      LYS  50  -5.566   5.405 -13.500
  398    HG2  LYS  50           HG2      LYS  50  -6.519   3.085 -13.766
  399    HG3  LYS  50           HG3      LYS  50  -7.381   3.289 -12.241
  400    HD2  LYS  50           HD2      LYS  50  -8.676   5.147 -13.173
  401    HD3  LYS  50           HD3      LYS  50  -7.707   5.106 -14.669
  402    HE2  LYS  50           HE2      LYS  50  -8.451   2.756 -15.062
  403    HE3  LYS  50           HE3      LYS  50  -9.487   2.853 -13.630
  404    HZ1  LYS  50           HZ1      LYS  50 -10.721   3.288 -15.661
  405    HZ2  LYS  50           HZ2      LYS  50 -10.724   4.630 -14.739
  406    HZ3  LYS  50           HZ3      LYS  50  -9.754   4.537 -16.057
  407    H    LYS  51           H        LYS  51  -4.164   1.550 -11.780
  408    HA   LYS  51           HA       LYS  51  -2.444   1.380 -14.120
  409    HB2  LYS  51           HB2      LYS  51  -2.457  -0.190 -12.088
  410    HB3  LYS  51           HB3      LYS  51  -3.945  -0.895 -12.739
  411    HG2  LYS  51           HG2      LYS  51  -2.639  -1.380 -14.890
  412    HG3  LYS  51           HG3      LYS  51  -1.201  -0.770 -14.070
  413    HD2  LYS  51           HD2      LYS  51  -1.032  -3.105 -13.781
  414    HD3  LYS  51           HD3      LYS  51  -1.636  -2.524 -12.247
  415    HE2  LYS  51           HE2      LYS  51  -2.804  -4.541 -12.852
  416    HE3  LYS  51           HE3      LYS  51  -3.951  -3.203 -12.898
  417    HZ1  LYS  51           HZ1      LYS  51  -2.600  -4.279 -15.326
  418    HZ2  LYS  51           HZ2      LYS  51  -4.071  -4.777 -14.807
  419    HZ3  LYS  51           HZ3      LYS  51  -3.858  -3.236 -15.284
  420    H    SER  52           H        SER  52  -3.155   1.308 -16.247
  421    HA   SER  52           HA       SER  52  -5.923   0.396 -16.853
  422    HB2  SER  52           HB2      SER  52  -4.628   2.984 -17.797
  423    HB3  SER  52           HB3      SER  52  -6.224   2.397 -18.264
  424    HG   SER  52           HG       SER  52  -6.228   4.018 -16.694
  425    H    ARG  53           H        ARG  53  -6.237   0.219 -19.198
  426    HA   ARG  53           HA       ARG  53  -5.814  -0.415 -21.277
  427    HB2  ARG  53           HB2      ARG  53  -4.412   1.721 -21.144
  428    HB3  ARG  53           HB3      ARG  53  -2.994   0.699 -20.988
  429    HG2  ARG  53           HG2      ARG  53  -3.365  -0.266 -23.210
  430    HG3  ARG  53           HG3      ARG  53  -4.957   0.503 -23.319
  431    HD2  ARG  53           HD2      ARG  53  -3.353   1.715 -24.677
  432    HD3  ARG  53           HD3      ARG  53  -3.904   2.729 -23.331
  433    HE   ARG  53           HE       ARG  53  -1.506   1.287 -22.648
  434   HH11  ARG  53          HH21      ARG  53  -2.501   3.980 -24.734
  435   HH12  ARG  53          HH22      ARG  53  -1.024   4.850 -24.557
  436   HH21  ARG  53          HH11      ARG  53   0.358   2.546 -22.223
  437   HH22  ARG  53          HH12      ARG  53   0.690   3.957 -23.172
  438    H    LYS  54           H        LYS  54  -4.657  -2.046 -22.655
  439    HA   LYS  54           HA       LYS  54  -4.221  -4.455 -21.259
  440    HB2  LYS  54           HB2      LYS  54  -4.888  -4.200 -23.652
  441    HB3  LYS  54           HB3      LYS  54  -3.237  -3.698 -24.050
  442    HG2  LYS  54           HG2      LYS  54  -2.379  -5.896 -23.297
  443    HG3  LYS  54           HG3      LYS  54  -4.012  -6.398 -22.839
  444    HD2  LYS  54           HD2      LYS  54  -3.110  -5.681 -25.666
  445    HD3  LYS  54           HD3      LYS  54  -3.224  -7.323 -25.016
  446    HE2  LYS  54           HE2      LYS  54  -5.663  -6.993 -24.615
  447    HE3  LYS  54           HE3      LYS  54  -5.555  -5.376 -25.323
  448    HZ1  LYS  54           HZ1      LYS  54  -6.318  -6.993 -26.935
  449    HZ2  LYS  54           HZ2      LYS  54  -4.875  -6.408 -27.411
  450    HZ3  LYS  54           HZ3      LYS  54  -4.981  -7.903 -26.757
  451    H    THR  55           H        THR  55  -1.931  -1.901 -22.159
  452    HA   THR  55           HA       THR  55   0.484  -3.336 -21.688
  453    HB   THR  55           HB       THR  55   1.333  -0.897 -21.693
  454    HG1  THR  55           HG1      THR  55  -0.202   0.444 -21.267
  455   HG21  THR  55          HG21      THR  55   1.219  -2.253 -23.775
  456   HG22  THR  55          HG22      THR  55  -0.458  -1.718 -24.029
  457   HG23  THR  55          HG23      THR  55   0.868  -0.540 -24.064
  458    H    SER  56           H        SER  56  -1.882  -2.258 -19.406
  459    HA   SER  56           HA       SER  56  -1.880  -1.669 -17.264
  460    HB2  SER  56           HB2      SER  56   0.565  -3.475 -17.170
  461    HB3  SER  56           HB3      SER  56  -0.223  -2.793 -15.747
  462    HG   SER  56           HG       SER  56  -1.365  -4.506 -17.705
  463    H    THR  57           H        THR  57  -1.047   0.305 -18.877
  464    HA   THR  57           HA       THR  57   1.377   1.621 -17.924
  465    HB   THR  57           HB       THR  57  -1.037   2.633 -19.501
  466    HG1  THR  57           HG1      THR  57   1.466   1.545 -20.289
  467   HG21  THR  57          HG21      THR  57   0.515   4.365 -20.356
  468   HG22  THR  57          HG22      THR  57   0.264   4.520 -18.615
  469   HG23  THR  57          HG23      THR  57   1.770   3.799 -19.230
  470    H    ILE  58           H        ILE  58   1.461   3.158 -16.280
  471    HA   ILE  58           HA       ILE  58  -0.861   3.387 -14.496
  472    HB   ILE  58           HB       ILE  58   1.986   4.419 -14.383
  473   HG12  ILE  58          HG12      ILE  58   1.692   1.973 -14.023
  474   HG13  ILE  58          HG13      ILE  58   2.341   2.820 -12.630
  475   HG21  ILE  58          HG21      ILE  58   1.464   5.074 -12.001
  476   HG22  ILE  58          HG22      ILE  58   0.704   6.086 -13.227
  477   HG23  ILE  58          HG23      ILE  58  -0.265   4.862 -12.397
  478   HD11  ILE  58          HD11      ILE  58   0.714   1.089 -11.993
  479   HD12  ILE  58          HD12      ILE  58   0.159   2.690 -11.491
  480   HD13  ILE  58          HD13      ILE  58  -0.554   1.903 -12.918
  481    H    GLU  59           H        GLU  59  -2.371   4.756 -14.906
  482    HA   GLU  59           HA       GLU  59  -1.878   7.334 -16.339
  483    HB2  GLU  59           HB2      GLU  59  -4.453   5.913 -15.499
  484    HB3  GLU  59           HB3      GLU  59  -4.367   7.524 -16.213
  485    HG2  GLU  59           HG2      GLU  59  -3.286   6.504 -18.255
  486    HG3  GLU  59           HG3      GLU  59  -3.598   4.904 -17.588
  487    H    GLU  60           H        GLU  60  -2.640   9.282 -15.046
  488    HA   GLU  60           HA       GLU  60  -2.611   8.781 -12.099
  489    HB2  GLU  60           HB2      GLU  60  -1.030  10.834 -13.693
  490    HB3  GLU  60           HB3      GLU  60  -1.228  10.856 -11.934
  491    HG2  GLU  60           HG2      GLU  60  -0.247   8.593 -11.787
  492    HG3  GLU  60           HG3      GLU  60   0.024   8.593 -13.534
  493    H    LYS  61           H        LYS  61  -4.319   9.630 -11.075
  494    HA   LYS  61           HA       LYS  61  -5.533  12.141 -12.186
  495    HB2  LYS  61           HB2      LYS  61  -6.837  10.174 -12.920
  496    HB3  LYS  61           HB3      LYS  61  -7.008   9.639 -11.241
  497    HG2  LYS  61           HG2      LYS  61  -8.380  11.561 -10.690
  498    HG3  LYS  61           HG3      LYS  61  -7.969  12.362 -12.212
  499    HD2  LYS  61           HD2      LYS  61 -10.224  11.494 -12.344
  500    HD3  LYS  61           HD3      LYS  61  -9.179  10.649 -13.489
  501    HE2  LYS  61           HE2      LYS  61  -8.982   8.750 -11.837
  502    HE3  LYS  61           HE3      LYS  61 -10.105   9.604 -10.770
  503    HZ1  LYS  61           HZ1      LYS  61 -11.779   9.451 -12.545
  504    HZ2  LYS  61           HZ2      LYS  61 -10.730   8.655 -13.514
  505    HZ3  LYS  61           HZ3      LYS  61 -11.248   7.961 -12.134
  506    H    THR  62           H        THR  62  -5.749  13.681 -10.609
  507    HA   THR  62           HA       THR  62  -4.892  13.095  -7.904
  508    HB   THR  62           HB       THR  62  -6.166  15.642  -8.975
  509    HG1  THR  62           HG1      THR  62  -4.357  16.113  -9.989
  510   HG21  THR  62          HG21      THR  62  -4.611  16.708  -7.394
  511   HG22  THR  62          HG22      THR  62  -5.629  15.525  -6.549
  512   HG23  THR  62          HG23      THR  62  -3.946  15.117  -6.945
  513    H    VAL  63           H        VAL  63  -6.217  12.619  -6.132
  514    HA   VAL  63           HA       VAL  63  -9.124  13.008  -6.436
  515    HB   VAL  63           HB       VAL  63  -9.558  10.735  -5.748
  516   HG11  VAL  63          HG11      VAL  63  -7.821  10.645  -8.234
  517   HG12  VAL  63          HG12      VAL  63  -9.135   9.544  -7.787
  518   HG13  VAL  63          HG13      VAL  63  -9.495  11.228  -8.179
  519   HG21  VAL  63          HG21      VAL  63  -6.581  10.153  -6.101
  520   HG22  VAL  63          HG22      VAL  63  -7.446  10.183  -4.550
  521   HG23  VAL  63          HG23      VAL  63  -7.860   8.969  -5.761
  522    H    GLU  64           H        GLU  64 -10.263  12.876  -4.514
  523    HA   GLU  64           HA       GLU  64  -8.743  13.310  -1.981
  524    HB2  GLU  64           HB2      GLU  64 -10.395  15.068  -2.596
  525    HB3  GLU  64           HB3      GLU  64 -11.665  13.848  -2.718
  526    HG2  GLU  64           HG2      GLU  64 -11.461  13.329  -0.326
  527    HG3  GLU  64           HG3      GLU  64 -10.047  14.374  -0.185
  528    H    VAL  65           H        VAL  65  -8.662  11.526  -0.694
  529    HA   VAL  65           HA       VAL  65 -10.233   9.108  -1.301
  530    HB   VAL  65           HB       VAL  65  -7.996   9.648   0.722
  531   HG11  VAL  65          HG11      VAL  65  -9.540   7.131   0.004
  532   HG12  VAL  65          HG12      VAL  65  -7.983   7.101   0.861
  533   HG13  VAL  65          HG13      VAL  65  -9.374   7.893   1.598
  534   HG21  VAL  65          HG21      VAL  65  -7.935   8.211  -1.967
  535   HG22  VAL  65          HG22      VAL  65  -7.085   9.708  -1.539
  536   HG23  VAL  65          HG23      VAL  65  -6.628   8.186  -0.775
  537    H    LEU  66           H        LEU  66 -12.236   9.178  -0.477
  538    HA   LEU  66           HA       LEU  66 -12.977  10.924   1.720
  539    HB2  LEU  66           HB2      LEU  66 -14.402   8.692   0.209
  540    HB3  LEU  66           HB3      LEU  66 -15.127   9.496   1.584
  541    HG   LEU  66           HG       LEU  66 -15.975  10.405  -0.480
  542   HD11  LEU  66          HD11      LEU  66 -15.759  11.893   1.515
  543   HD12  LEU  66          HD12      LEU  66 -14.224  12.510   0.857
  544   HD13  LEU  66          HD13      LEU  66 -15.737  12.762  -0.028
  545   HD21  LEU  66          HD21      LEU  66 -13.965  10.055  -1.924
  546   HD22  LEU  66          HD22      LEU  66 -14.683  11.669  -2.064
  547   HD23  LEU  66          HD23      LEU  66 -13.192  11.454  -1.140
  548    H    GLY  67           H        GLY  67 -12.174   7.436   1.366
  549    HA2  GLY  67           HA2      GLY  67 -11.003   7.088   3.770
  550    HA3  GLY  67           HA3      GLY  67 -12.723   6.753   4.099
  551    H    MET  68           H        MET  68 -11.433   4.635   4.495
  552    HA   MET  68           HA       MET  68 -10.873   2.947   2.190
  553    HB2  MET  68           HB2      MET  68 -11.519   2.221   5.065
  554    HB3  MET  68           HB3      MET  68 -11.078   1.081   3.779
  555    HG2  MET  68           HG2      MET  68  -8.925   2.297   3.446
  556    HG3  MET  68           HG3      MET  68  -9.345   3.361   4.789
  557    HE1  MET  68           HE1      MET  68  -7.698  -0.015   3.747
  558    HE2  MET  68           HE2      MET  68  -8.130  -1.083   5.104
  559    HE3  MET  68           HE3      MET  68  -9.389  -0.507   3.986
  560    H    ALA  69           H        ALA  69 -12.195   1.295   1.379
  561    HA   ALA  69           HA       ALA  69 -14.995   1.922   1.047
  562    HB1  ALA  69           HB1      ALA  69 -13.548   0.766  -0.650
  563    HB2  ALA  69           HB2      ALA  69 -13.462  -0.640   0.447
  564    HB3  ALA  69           HB3      ALA  69 -15.005  -0.155  -0.268
  565    HA   PRO  70           HA       PRO  70 -16.914  -0.357   4.390
  566    HB2  PRO  70           HB2      PRO  70 -18.173  -2.141   2.293
  567    HB3  PRO  70           HB3      PRO  70 -18.939  -1.375   3.722
  568    HG2  PRO  70           HG2      PRO  70 -19.272  -0.287   1.268
  569    HG3  PRO  70           HG3      PRO  70 -18.906   0.779   2.666
  570    HD2  PRO  70           HD2      PRO  70 -17.021  -0.268   0.550
  571    HD3  PRO  70           HD3      PRO  70 -17.150   1.389   1.220
  572    H    ASP  71           H        ASP  71 -16.745  -2.330   5.582
  573    HA   ASP  71           HA       ASP  71 -14.496  -3.969   5.138
  574    HB2  ASP  71           HB2      ASP  71 -15.151  -5.199   6.986
  575    HB3  ASP  71           HB3      ASP  71 -15.763  -3.587   7.323
  576    H    ASP  72           H        ASP  72 -17.818  -4.254   3.957
  577    HA   ASP  72           HA       ASP  72 -17.789  -6.979   3.171
  578    HB2  ASP  72           HB2      ASP  72 -19.832  -5.628   3.270
  579    HB3  ASP  72           HB3      ASP  72 -19.238  -4.593   1.967
  580    H    GLU  73           H        GLU  73 -16.392  -4.115   1.673
  581    HA   GLU  73           HA       GLU  73 -15.687  -5.558  -0.823
  582    HB2  GLU  73           HB2      GLU  73 -15.065  -2.747   0.188
  583    HB3  GLU  73           HB3      GLU  73 -14.480  -3.394  -1.338
  584    HG2  GLU  73           HG2      GLU  73 -17.450  -3.173  -0.680
  585    HG3  GLU  73           HG3      GLU  73 -16.519  -1.883  -1.424
  586    H    CYS  74           H        CYS  74 -14.231  -4.191   2.149
  587    HA   CYS  74           HA       CYS  74 -11.605  -4.901   1.356
  588    HB2  CYS  74           HB2      CYS  74 -12.603  -4.001   4.066
  589    HB3  CYS  74           HB3      CYS  74 -10.908  -4.110   3.554
  590    HG   CYS  74           HG       CYS  74 -13.380  -2.230   2.462
  591    H    LEU  75           H        LEU  75 -13.775  -7.079   2.009
  592    HA   LEU  75           HA       LEU  75 -12.204  -8.953   3.662
  593    HB2  LEU  75           HB2      LEU  75 -14.833  -9.020   2.155
  594    HB3  LEU  75           HB3      LEU  75 -14.052 -10.542   2.552
  595    HG   LEU  75           HG       LEU  75 -14.600  -8.469   4.700
  596   HD11  LEU  75          HD11      LEU  75 -16.404 -10.757   3.817
  597   HD12  LEU  75          HD12      LEU  75 -16.649  -9.707   5.235
  598   HD13  LEU  75          HD13      LEU  75 -16.724  -9.022   3.605
  599   HD21  LEU  75          HD21      LEU  75 -14.192 -11.488   4.823
  600   HD22  LEU  75          HD22      LEU  75 -12.965 -10.280   5.251
  601   HD23  LEU  75          HD23      LEU  75 -14.447 -10.401   6.204
  602    H    LYS  76           H        LYS  76 -12.336  -7.846   0.388
  603    HA   LYS  76           HA       LYS  76 -11.207 -10.390  -0.685
  604    HB2  LYS  76           HB2      LYS  76 -12.449  -7.949  -2.015
  605    HB3  LYS  76           HB3      LYS  76 -11.814  -9.349  -2.881
  606    HG2  LYS  76           HG2      LYS  76 -13.457 -10.828  -1.927
  607    HG3  LYS  76           HG3      LYS  76 -14.042  -9.601  -0.801
  608    HD2  LYS  76           HD2      LYS  76 -14.245  -9.334  -3.827
  609    HD3  LYS  76           HD3      LYS  76 -15.519  -9.998  -2.789
  610    HE2  LYS  76           HE2      LYS  76 -15.592  -7.876  -1.495
  611    HE3  LYS  76           HE3      LYS  76 -14.350  -7.186  -2.544
  612    HZ1  LYS  76           HZ1      LYS  76 -17.051  -8.032  -3.415
  613    HZ2  LYS  76           HZ2      LYS  76 -16.535  -6.488  -3.230
  614    HZ3  LYS  76           HZ3      LYS  76 -15.897  -7.429  -4.409
  615    H    ASP  77           H        ASP  77 -10.612  -6.844  -0.519
  616    HA   ASP  77           HA       ASP  77  -7.751  -7.128  -0.602
  617    HB2  ASP  77           HB2      ASP  77  -8.300  -7.460  -3.048
  618    HB3  ASP  77           HB3      ASP  77  -9.120  -5.900  -3.037
  619    H    MET  78           H        MET  78  -6.828  -4.721  -0.583
  620    HA   MET  78           HA       MET  78  -8.653  -3.174   1.161
  621    HB2  MET  78           HB2      MET  78  -5.796  -2.636   0.262
  622    HB3  MET  78           HB3      MET  78  -6.720  -1.619   1.372
  623    HG2  MET  78           HG2      MET  78  -5.925  -4.507   1.840
  624    HG3  MET  78           HG3      MET  78  -5.182  -3.083   2.553
  625    HE1  MET  78           HE1      MET  78  -8.649  -5.527   4.138
  626    HE2  MET  78           HE2      MET  78  -8.530  -5.279   2.389
  627    HE3  MET  78           HE3      MET  78  -7.175  -6.008   3.283
  628    H    TYR  79           H        TYR  79  -9.943  -1.585   0.448
  629    HA   TYR  79           HA       TYR  79  -9.358  -0.240  -2.142
  630    HB2  TYR  79           HB2      TYR  79 -12.057  -1.250  -1.191
  631    HB3  TYR  79           HB3      TYR  79 -11.775  -0.284  -2.623
  632    HD1  TYR  79           HD2      TYR  79 -10.418  -1.313  -4.568
  633    HD2  TYR  79           HD1      TYR  79 -11.973  -3.609  -1.262
  634    HE1  TYR  79           HE2      TYR  79 -10.407  -3.355  -5.973
  635    HE2  TYR  79           HE1      TYR  79 -11.967  -5.640  -2.648
  636    HH   TYR  79           HH       TYR  79 -11.510  -6.550  -4.763
  637    H    VAL  80           H        VAL  80 -10.418   1.798  -2.358
  638    HA   VAL  80           HA       VAL  80 -11.218   3.173   0.140
  639    HB   VAL  80           HB       VAL  80  -9.749   5.098  -0.802
  640   HG11  VAL  80          HG11      VAL  80  -8.491   2.725   0.627
  641   HG12  VAL  80          HG12      VAL  80  -7.768   4.346   0.500
  642   HG13  VAL  80          HG13      VAL  80  -9.290   4.146   1.353
  643   HG21  VAL  80          HG21      VAL  80  -8.131   2.778  -1.943
  644   HG22  VAL  80          HG22      VAL  80  -9.048   3.950  -2.910
  645   HG23  VAL  80          HG23      VAL  80  -7.688   4.496  -1.916
  646    H    GLU  81           H        GLU  81 -12.628   4.839  -0.180
  647    HA   GLU  81           HA       GLU  81 -13.983   5.000  -2.803
  648    HB2  GLU  81           HB2      GLU  81 -14.624   6.142  -0.042
  649    HB3  GLU  81           HB3      GLU  81 -15.515   6.537  -1.521
  650    HG2  GLU  81           HG2      GLU  81 -16.034   4.108  -1.833
  651    HG3  GLU  81           HG3      GLU  81 -15.235   3.757  -0.300
  652    H    VAL  82           H        VAL  82 -13.416   6.706  -4.126
  653    HA   VAL  82           HA       VAL  82 -11.860   8.936  -2.967
  654    HB   VAL  82           HB       VAL  82 -10.091   8.774  -4.539
  655   HG11  VAL  82          HG11      VAL  82 -10.426   5.926  -3.535
  656   HG12  VAL  82          HG12      VAL  82  -8.920   6.793  -3.871
  657   HG13  VAL  82          HG13      VAL  82  -9.938   7.275  -2.504
  658   HG21  VAL  82          HG21      VAL  82 -11.443   6.338  -5.777
  659   HG22  VAL  82          HG22      VAL  82 -11.208   7.923  -6.549
  660   HG23  VAL  82          HG23      VAL  82  -9.809   6.924  -6.165
  661    H    ALA  83           H        ALA  83 -12.107  10.907  -4.164
  662    HA   ALA  83           HA       ALA  83 -14.029  10.793  -6.443
  663    HB1  ALA  83           HB1      ALA  83 -15.076  12.847  -5.585
  664    HB2  ALA  83           HB2      ALA  83 -15.251  11.519  -4.424
  665    HB3  ALA  83           HB3      ALA  83 -14.034  12.796  -4.148
  666    H    ASP  84           H        ASP  84 -13.699  12.338  -8.037
  667    HA   ASP  84           HA       ASP  84 -10.891  12.841  -8.468
  668    HB2  ASP  84           HB2      ASP  84 -12.311  12.258 -10.328
  669    HB3  ASP  84           HB3      ASP  84 -13.393  13.626 -10.001
  670    H    ILE  85           H        ILE  85  -9.680  14.632  -8.309
  671    HA   ILE  85           HA       ILE  85 -10.983  17.227  -7.587
  672    HB   ILE  85           HB       ILE  85  -8.079  16.482  -7.191
  673   HG12  ILE  85          HG12      ILE  85 -10.252  16.482  -5.039
  674   HG13  ILE  85          HG13      ILE  85  -9.529  15.040  -5.729
  675   HG21  ILE  85          HG21      ILE  85  -9.732  18.703  -5.904
  676   HG22  ILE  85          HG22      ILE  85  -7.983  18.452  -5.732
  677   HG23  ILE  85          HG23      ILE  85  -8.619  18.954  -7.270
  678   HD11  ILE  85          HD11      ILE  85  -7.274  15.800  -4.921
  679   HD12  ILE  85          HD12      ILE  85  -8.085  17.121  -4.040
  680   HD13  ILE  85          HD13      ILE  85  -8.427  15.458  -3.629
  681    H    GLY  86           H        GLY  86  -9.372  15.469 -10.150
  682    HA2  GLY  86           HA2      GLY  86  -7.748  17.470 -11.314
  683    HA3  GLY  86           HA3      GLY  86  -8.450  16.057 -12.120
  684    H    GLY  87           H        GLY  87 -11.206  16.667 -11.817
  685    HA2  GLY  87           HA2      GLY  87 -12.587  18.698 -11.976
  686    HA3  GLY  87           HA3      GLY  87 -11.591  19.220 -13.346
  687    H    LYS  88           H        LYS  88 -12.567  15.815 -12.898
  688    HA   LYS  88           HA       LYS  88 -13.865  15.658 -15.493
  689    HB2  LYS  88           HB2      LYS  88 -14.045  13.804 -13.044
  690    HB3  LYS  88           HB3      LYS  88 -14.611  13.418 -14.652
  691    HG2  LYS  88           HG2      LYS  88 -11.713  13.861 -13.810
  692    HG3  LYS  88           HG3      LYS  88 -12.472  12.328 -14.205
  693    HD2  LYS  88           HD2      LYS  88 -11.920  14.615 -16.146
  694    HD3  LYS  88           HD3      LYS  88 -11.029  13.098 -16.015
  695    HE2  LYS  88           HE2      LYS  88 -13.085  11.829 -16.629
  696    HE3  LYS  88           HE3      LYS  88 -13.969  13.350 -16.801
  697    HZ1  LYS  88           HZ1      LYS  88 -11.627  12.550 -18.431
  698    HZ2  LYS  88           HZ2      LYS  88 -13.176  12.546 -18.929
  699    HZ3  LYS  88           HZ3      LYS  88 -12.442  13.959 -18.590
  700    H    ASP  89           H        ASP  89 -15.008  15.481 -12.146
  701    HA   ASP  89           HA       ASP  89 -17.340  17.041 -12.223
  702    HB2  ASP  89           HB2      ASP  89 -18.184  15.190 -13.734
  703    HB3  ASP  89           HB3      ASP  89 -17.751  14.018 -12.494
  704    H    ASP  90           H        ASP  90 -18.576  16.273 -10.083
  705    HA   ASP  90           HA       ASP  90 -16.680  15.785  -7.914
  706    HB2  ASP  90           HB2      ASP  90 -18.665  17.330  -7.836
  707    HB3  ASP  90           HB3      ASP  90 -19.712  15.913  -7.959
  708    H    ASP  91           H        ASP  91 -17.136  13.616 -10.035
  709    HA   ASP  91           HA       ASP  91 -18.843  11.593  -8.926
  710    HB2  ASP  91           HB2      ASP  91 -18.388  11.925 -11.375
  711    HB3  ASP  91           HB3      ASP  91 -16.734  11.364 -11.106
  712    H    VAL  92           H        VAL  92 -18.114   9.524  -8.351
  713    HA   VAL  92           HA       VAL  92 -15.618   9.453  -6.777
  714    HB   VAL  92           HB       VAL  92 -17.517  10.232  -5.454
  715   HG11  VAL  92          HG11      VAL  92 -19.386   9.077  -6.581
  716   HG12  VAL  92          HG12      VAL  92 -18.813   7.522  -5.938
  717   HG13  VAL  92          HG13      VAL  92 -19.393   8.788  -4.840
  718   HG21  VAL  92          HG21      VAL  92 -17.343   8.722  -3.536
  719   HG22  VAL  92          HG22      VAL  92 -16.576   7.488  -4.552
  720   HG23  VAL  92          HG23      VAL  92 -15.772   9.049  -4.257
  721    H    TYR  93           H        TYR  93 -14.844   7.415  -6.293
  722    HA   TYR  93           HA       TYR  93 -15.696   5.131  -7.987
  723    HB2  TYR  93           HB2      TYR  93 -12.838   6.138  -7.787
  724    HB3  TYR  93           HB3      TYR  93 -13.490   4.970  -8.917
  725    HD1  TYR  93           HD2      TYR  93 -13.193   8.563  -8.070
  726    HD2  TYR  93           HD1      TYR  93 -14.591   5.720 -10.999
  727    HE1  TYR  93           HE2      TYR  93 -13.481  10.396  -9.689
  728    HE2  TYR  93           HE1      TYR  93 -14.826   7.550 -12.657
  729    HH   TYR  93           HH       TYR  93 -14.088  10.982 -11.869
  730    H    THR  94           H        THR  94 -14.283   3.220  -7.427
  731    HA   THR  94           HA       THR  94 -13.541   3.167  -4.528
  732    HB   THR  94           HB       THR  94 -14.835   0.841  -5.968
  733    HG1  THR  94           HG1      THR  94 -16.320   2.514  -5.880
  734   HG21  THR  94          HG21      THR  94 -13.569   0.244  -3.957
  735   HG22  THR  94          HG22      THR  94 -14.383   1.519  -3.021
  736   HG23  THR  94          HG23      THR  94 -15.301   0.117  -3.625
  737    H    ALA  95           H        ALA  95 -11.442   3.754  -5.277
  738    HA   ALA  95           HA       ALA  95  -9.973   2.097  -7.172
  739    HB1  ALA  95           HB1      ALA  95  -8.060   3.534  -6.493
  740    HB2  ALA  95           HB2      ALA  95  -9.487   4.501  -6.905
  741    HB3  ALA  95           HB3      ALA  95  -9.048   4.244  -5.203
  742    H    LYS  96           H        LYS  96  -7.919   0.985  -6.513
  743    HA   LYS  96           HA       LYS  96  -8.271  -0.592  -4.029
  744    HB2  LYS  96           HB2      LYS  96  -5.851  -0.770  -5.854
  745    HB3  LYS  96           HB3      LYS  96  -6.467  -1.922  -4.693
  746    HG2  LYS  96           HG2      LYS  96  -7.178  -2.974  -6.566
  747    HG3  LYS  96           HG3      LYS  96  -8.590  -1.940  -6.331
  748    HD2  LYS  96           HD2      LYS  96  -7.472  -0.262  -7.925
  749    HD3  LYS  96           HD3      LYS  96  -6.242  -1.481  -8.242
  750    HE2  LYS  96           HE2      LYS  96  -9.245  -1.814  -8.695
  751    HE3  LYS  96           HE3      LYS  96  -8.083  -1.363  -9.943
  752    HZ1  LYS  96           HZ1      LYS  96  -6.986  -3.505  -9.624
  753    HZ2  LYS  96           HZ2      LYS  96  -8.077  -3.944  -8.484
  754    HZ3  LYS  96           HZ3      LYS  96  -8.549  -3.714 -10.023
  755    H    LEU  97           H        LEU  97  -6.928  -0.238  -2.240
  756    HA   LEU  97           HA       LEU  97  -5.587   2.288  -1.911
  757    HB2  LEU  97           HB2      LEU  97  -6.408   0.875  -0.021
  758    HB3  LEU  97           HB3      LEU  97  -5.200  -0.349  -0.431
  759    HG   LEU  97           HG       LEU  97  -3.373   1.259   0.097
  760   HD11  LEU  97          HD11      LEU  97  -5.656   3.120   0.907
  761   HD12  LEU  97          HD12      LEU  97  -3.955   3.359   1.343
  762   HD13  LEU  97          HD13      LEU  97  -4.434   3.420  -0.353
  763   HD21  LEU  97          HD21      LEU  97  -4.244  -0.277   1.808
  764   HD22  LEU  97          HD22      LEU  97  -3.688   1.240   2.524
  765   HD23  LEU  97          HD23      LEU  97  -5.431   0.946   2.319
  766    H    SER  98           H        SER  98  -4.634  -0.900  -3.125
  767    HA   SER  98           HA       SER  98  -1.854  -0.642  -3.322
  768    HB2  SER  98           HB2      SER  98  -3.751  -2.009  -5.275
  769    HB3  SER  98           HB3      SER  98  -2.090  -2.472  -4.888
  770    HG   SER  98           HG       SER  98  -3.651  -3.749  -3.763
  771    H    ASP  99           H        ASP  99  -4.289   1.145  -5.067
  772    HA   ASP  99           HA       ASP  99  -2.488   1.676  -7.369
  773    HB2  ASP  99           HB2      ASP  99  -5.247   0.933  -7.138
  774    HB3  ASP  99           HB3      ASP  99  -5.251   2.614  -7.576
  775    H    ILE 100           H        ILE 100  -2.941   2.962  -4.443
  776    HA   ILE 100           HA       ILE 100  -3.304   5.781  -5.333
  777    HB   ILE 100           HB       ILE 100  -4.420   4.146  -3.086
  778   HG12  ILE 100          HG12      ILE 100  -5.518   4.938  -5.309
  779   HG13  ILE 100          HG13      ILE 100  -6.440   4.951  -3.806
  780   HG21  ILE 100          HG21      ILE 100  -5.069   6.113  -1.756
  781   HG22  ILE 100          HG22      ILE 100  -3.335   5.795  -1.713
  782   HG23  ILE 100          HG23      ILE 100  -3.961   7.126  -2.708
  783   HD11  ILE 100          HD11      ILE 100  -6.266   7.336  -3.630
  784   HD12  ILE 100          HD12      ILE 100  -5.125   7.405  -4.997
  785   HD13  ILE 100          HD13      ILE 100  -6.813   6.907  -5.258
  786    H    GLU 101           H        GLU 101  -2.076   7.305  -4.471
  787    HA   GLU 101           HA       GLU 101   0.139   6.589  -2.621
  788    HB2  GLU 101           HB2      GLU 101   0.964   6.640  -4.980
  789    HB3  GLU 101           HB3      GLU 101   0.381   8.302  -5.140
  790    HG2  GLU 101           HG2      GLU 101   1.897   8.984  -3.269
  791    HG3  GLU 101           HG3      GLU 101   2.476   7.320  -3.147
  792    H    ALA 102           H        ALA 102  -0.091   7.900  -0.843
  793    HA   ALA 102           HA       ALA 102  -2.128   9.976  -0.859
  794    HB1  ALA 102           HB1      ALA 102  -0.143   9.114   1.296
  795    HB2  ALA 102           HB2      ALA 102  -1.559  10.161   1.517
  796    HB3  ALA 102           HB3      ALA 102  -1.795   8.479   1.065
  797    H    ILE 103           H        ILE 103  -1.840  12.194  -0.601
  798    HA   ILE 103           HA       ILE 103   0.895  13.278  -1.141
  799    HB   ILE 103           HB       ILE 103  -1.847  14.293  -1.957
  800   HG12  ILE 103          HG12      ILE 103   0.446  13.417  -3.774
  801   HG13  ILE 103          HG13      ILE 103  -0.861  12.341  -3.315
  802   HG21  ILE 103          HG21      ILE 103   0.901  15.502  -2.518
  803   HG22  ILE 103          HG22      ILE 103  -0.650  16.113  -3.137
  804   HG23  ILE 103          HG23      ILE 103  -0.316  16.180  -1.418
  805   HD11  ILE 103          HD11      ILE 103  -1.415  13.249  -5.454
  806   HD12  ILE 103          HD12      ILE 103  -2.518  13.974  -4.281
  807   HD13  ILE 103          HD13      ILE 103  -1.144  14.907  -4.925
  808    H    ASP 104           H        ASP 104   1.708  14.521   0.360
  809    HA   ASP 104           HA       ASP 104   2.044  15.700   2.227
  810    HB2  ASP 104           HB2      ASP 104   1.277  17.300   0.512
  811    HB3  ASP 104           HB3      ASP 104  -0.358  17.209   1.166
  812    H    VAL 105           H        VAL 105   0.498  13.364   2.861
  813    HA   VAL 105           HA       VAL 105  -1.534  14.192   4.811
  814    HB   VAL 105           HB       VAL 105  -1.845  11.804   5.176
  815   HG11  VAL 105          HG11      VAL 105  -2.922  13.085   3.290
  816   HG12  VAL 105          HG12      VAL 105  -1.744  12.355   2.197
  817   HG13  VAL 105          HG13      VAL 105  -2.862  11.317   3.105
  818   HG21  VAL 105          HG21      VAL 105   0.331  11.314   3.087
  819   HG22  VAL 105          HG22      VAL 105   0.468  11.002   4.829
  820   HG23  VAL 105          HG23      VAL 105  -0.703  10.097   3.867
  821    H    ASP 106           H        ASP 106  -1.418  12.949   7.005
  822    HA   ASP 106           HA       ASP 106   0.975  13.834   8.411
  823    HB2  ASP 106           HB2      ASP 106  -1.399  13.791   9.380
  824    HB3  ASP 106           HB3      ASP 106  -1.194  12.026   9.469
  825    H    ASP 107           H        ASP 107   2.014  12.267   9.878
  826    HA   ASP 107           HA       ASP 107   3.599  10.565   8.254
  827    HB2  ASP 107           HB2      ASP 107   4.456  11.660  10.257
  828    HB3  ASP 107           HB3      ASP 107   3.370  10.718  11.281
  829    H    ASP 108           H        ASP 108   1.105   9.648  10.708
  830    HA   ASP 108           HA       ASP 108   1.530   6.841  10.409
  831    HB2  ASP 108           HB2      ASP 108  -0.815   8.471  11.446
  832    HB3  ASP 108           HB3      ASP 108  -0.874   6.715  11.333
  833    H    THR 109           H        THR 109  -0.684   9.125   8.708
  834    HA   THR 109           HA       THR 109  -2.084   7.044   7.302
  835    HB   THR 109           HB       THR 109  -1.735  10.006   6.681
  836    HG1  THR 109           HG1      THR 109  -2.792   9.644   8.649
  837   HG21  THR 109          HG21      THR 109  -2.605   8.628   4.704
  838   HG22  THR 109          HG22      THR 109  -3.981   8.184   5.741
  839   HG23  THR 109          HG23      THR 109  -3.704   9.877   5.311
  840    H    GLN 110           H        GLN 110   0.860   9.022   6.562
  841    HA   GLN 110           HA       GLN 110   1.254   7.937   3.965
  842    HB2  GLN 110           HB2      GLN 110   2.417   9.952   5.200
  843    HB3  GLN 110           HB3      GLN 110   3.551   8.748   5.788
  844    HG2  GLN 110           HG2      GLN 110   2.886   9.306   2.857
  845    HG3  GLN 110           HG3      GLN 110   4.275   9.958   3.711
  846   HE21  GLN 110          HE22      GLN 110   3.412   7.529   1.577
  847   HE22  GLN 110          HE21      GLN 110   4.650   6.363   1.960
  848    H    GLU 111           H        GLU 111   2.402   6.834   7.213
  849    HA   GLU 111           HA       GLU 111   3.976   4.684   6.283
  850    HB2  GLU 111           HB2      GLU 111   2.503   5.176   8.894
  851    HB3  GLU 111           HB3      GLU 111   3.463   3.726   8.637
  852    HG2  GLU 111           HG2      GLU 111   4.620   6.509   8.253
  853    HG3  GLU 111           HG3      GLU 111   4.588   5.697   9.815
  854    H    ALA 112           H        ALA 112   0.446   4.773   6.979
  855    HA   ALA 112           HA       ALA 112  -0.002   1.990   6.610
  856    HB1  ALA 112           HB1      ALA 112  -1.808   4.348   5.957
  857    HB2  ALA 112           HB2      ALA 112  -2.333   2.658   6.104
  858    HB3  ALA 112           HB3      ALA 112  -1.700   3.520   7.519
  859    H    ILE 113           H        ILE 113   0.070   4.678   4.210
  860    HA   ILE 113           HA       ILE 113  -0.587   3.019   1.946
  861    HB   ILE 113           HB       ILE 113   0.553   5.783   2.356
  862   HG12  ILE 113          HG12      ILE 113  -1.392   6.144   0.553
  863   HG13  ILE 113          HG13      ILE 113  -1.890   4.530   1.038
  864   HG21  ILE 113          HG21      ILE 113   0.744   6.215  -0.008
  865   HG22  ILE 113          HG22      ILE 113   1.938   5.022   0.480
  866   HG23  ILE 113          HG23      ILE 113   0.467   4.494  -0.389
  867   HD11  ILE 113          HD11      ILE 113  -2.058   5.334   3.380
  868   HD12  ILE 113          HD12      ILE 113  -1.461   6.928   2.840
  869   HD13  ILE 113          HD13      ILE 113  -3.043   6.330   2.285
  870    H    ALA 114           H        ALA 114   2.550   4.148   3.284
  871    HA   ALA 114           HA       ALA 114   4.184   2.954   1.319
  872    HB1  ALA 114           HB1      ALA 114   4.803   3.475   4.266
  873    HB2  ALA 114           HB2      ALA 114   5.992   3.177   2.983
  874    HB3  ALA 114           HB3      ALA 114   4.998   4.643   2.941
  875    H    ASP 115           H        ASP 115   3.060   1.698   4.489
  876    HA   ASP 115           HA       ASP 115   4.468  -0.757   4.317
  877    HB2  ASP 115           HB2      ASP 115   3.608   0.194   6.418
  878    HB3  ASP 115           HB3      ASP 115   1.952  -0.138   5.883
  879    H    TRP 116           H        TRP 116   1.180   0.143   3.244
  880    HA   TRP 116           HA       TRP 116   0.471  -2.546   2.492
  881    HB2  TRP 116           HB2      TRP 116  -1.193  -0.747   2.899
  882    HB3  TRP 116           HB3      TRP 116  -0.636   0.084   1.441
  883    HD1  TRP 116           HD1      TRP 116  -1.780  -0.620  -0.741
  884    HE1  TRP 116           HE1      TRP 116  -3.091  -2.628  -1.625
  885    HE3  TRP 116           HE3      TRP 116  -1.675  -3.542   3.464
  886    HZ2  TRP 116           HZ2      TRP 116  -4.178  -5.085  -0.540
  887    HZ3  TRP 116           HZ3      TRP 116  -2.812  -5.741   3.477
  888    HH2  TRP 116           HH2      TRP 116  -4.070  -6.524   1.489
  889    H    LEU 117           H        LEU 117   2.130   0.153   0.788
  890    HA   LEU 117           HA       LEU 117   2.217  -1.207  -1.745
  891    HB2  LEU 117           HB2      LEU 117   3.903   1.022  -0.559
  892    HB3  LEU 117           HB3      LEU 117   4.134   0.411  -2.191
  893    HG   LEU 117           HG       LEU 117   1.467   1.534  -1.221
  894   HD11  LEU 117          HD11      LEU 117   2.073   3.601  -2.404
  895   HD12  LEU 117          HD12      LEU 117   3.195   3.267  -1.077
  896   HD13  LEU 117          HD13      LEU 117   3.690   2.942  -2.755
  897   HD21  LEU 117          HD21      LEU 117   1.002   1.782  -3.638
  898   HD22  LEU 117          HD22      LEU 117   2.531   0.956  -4.014
  899   HD23  LEU 117          HD23      LEU 117   1.219   0.097  -3.174
  900    H    TYR 118           H        TYR 118   4.350  -1.353   1.166
  901    HA   TYR 118           HA       TYR 118   6.302  -3.017  -0.133
  902    HB2  TYR 118           HB2      TYR 118   5.527  -3.081   2.797
  903    HB3  TYR 118           HB3      TYR 118   6.998  -3.710   2.082
  904    HD1  TYR 118           HD1      TYR 118   7.759  -1.368   0.250
  905    HD2  TYR 118           HD2      TYR 118   6.397  -1.533   4.339
  906    HE1  TYR 118           HE1      TYR 118   8.815   0.816   0.689
  907    HE2  TYR 118           HE2      TYR 118   7.359   0.693   4.765
  908    HH   TYR 118           HH       TYR 118   8.623   2.458   3.884
  909    H    TRP 119           H        TRP 119   3.231  -3.821   1.610
  910    HA   TRP 119           HA       TRP 119   3.487  -6.651   1.264
  911    HB2  TRP 119           HB2      TRP 119   1.974  -5.868   2.864
  912    HB3  TRP 119           HB3      TRP 119   1.176  -4.778   1.740
  913    HD1  TRP 119           HD1      TRP 119  -0.617  -5.751   0.084
  914    HE1  TRP 119           HE1      TRP 119  -2.059  -7.849   0.115
  915    HE3  TRP 119           HE3      TRP 119   2.005  -8.497   3.533
  916    HZ2  TRP 119           HZ2      TRP 119  -2.237 -10.278   1.628
  917    HZ3  TRP 119           HZ3      TRP 119   1.108 -10.669   4.324
  918    HH2  TRP 119           HH2      TRP 119  -1.035 -11.550   3.420
  919    H    LEU 120           H        LEU 120   2.085  -4.115  -0.893
  920    HA   LEU 120           HA       LEU 120   1.145  -5.857  -2.898
  921    HB2  LEU 120           HB2      LEU 120   0.717  -3.393  -2.665
  922    HB3  LEU 120           HB3      LEU 120   2.372  -3.085  -3.176
  923    HG   LEU 120           HG       LEU 120   1.884  -4.119  -5.392
  924   HD11  LEU 120          HD11      LEU 120   0.057  -5.612  -4.955
  925   HD12  LEU 120          HD12      LEU 120  -0.942  -4.310  -4.239
  926   HD13  LEU 120          HD13      LEU 120  -0.591  -4.341  -5.982
  927   HD21  LEU 120          HD21      LEU 120   1.748  -1.699  -5.057
  928   HD22  LEU 120          HD22      LEU 120   0.472  -2.213  -6.169
  929   HD23  LEU 120          HD23      LEU 120   0.076  -1.840  -4.477
  930    H    ALA 121           H        ALA 121   4.390  -4.324  -2.496
  931    HA   ALA 121           HA       ALA 121   5.616  -5.628  -4.718
  932    HB1  ALA 121           HB1      ALA 121   7.729  -4.924  -3.590
  933    HB2  ALA 121           HB2      ALA 121   6.541  -3.609  -3.679
  934    HB3  ALA 121           HB3      ALA 121   6.803  -4.478  -2.151
  935    H    ARG 122           H        ARG 122   5.057  -6.696  -1.379
  936    HA   ARG 122           HA       ARG 122   6.769  -8.974  -1.408
  937    HB2  ARG 122           HB2      ARG 122   5.853  -7.865   0.607
  938    HB3  ARG 122           HB3      ARG 122   4.249  -8.454   0.198
  939    HG2  ARG 122           HG2      ARG 122   5.281  -9.665   2.022
  940    HG3  ARG 122           HG3      ARG 122   4.827 -10.717   0.698
  941    HD2  ARG 122           HD2      ARG 122   7.669  -9.693   0.722
  942    HD3  ARG 122           HD3      ARG 122   7.189 -10.821   1.995
  943    HE   ARG 122           HE       ARG 122   6.486 -11.561  -0.764
  944   HH11  ARG 122          HH12      ARG 122   8.537 -12.287   2.105
  945   HH12  ARG 122          HH11      ARG 122   9.282 -13.644   1.342
  946   HH21  ARG 122          HH21      ARG 122   7.403 -13.437  -1.656
  947   HH22  ARG 122          HH22      ARG 122   8.567 -14.360  -0.786
  948    H    GLY 123           H        GLY 123   3.826  -8.386  -3.139
  949    HA2  GLY 123           HA2      GLY 123   2.829  -9.729  -4.696
  950    HA3  GLY 123           HA3      GLY 123   3.958 -11.037  -4.300
  951    H    TYR 124           H        TYR 124   1.990  -9.435  -1.845
  952    HA   TYR 124           HA       TYR 124   0.535 -10.091  -0.319
  953    HB2  TYR 124           HB2      TYR 124  -0.532 -11.163  -2.891
  954    HB3  TYR 124           HB3      TYR 124  -1.396 -11.548  -1.419
  955    HD1  TYR 124           HD1      TYR 124   0.203  -8.441  -2.911
  956    HD2  TYR 124           HD2      TYR 124  -3.282 -10.240  -1.091
  957    HE1  TYR 124           HE1      TYR 124  -1.052  -6.363  -3.231
  958    HE2  TYR 124           HE2      TYR 124  -4.538  -8.156  -1.433
  959    HH   TYR 124           HH       TYR 124  -4.514  -5.992  -2.444
  960    H    LYS 125           H        LYS 125  -0.656 -11.882   0.786
  961    HA   LYS 125           HA       LYS 125   0.612 -14.554   0.508
  962    HB2  LYS 125           HB2      LYS 125   0.364 -13.286   3.261
  963    HB3  LYS 125           HB3      LYS 125   1.062 -14.841   2.835
  964    HG2  LYS 125           HG2      LYS 125   2.851 -13.629   1.533
  965    HG3  LYS 125           HG3      LYS 125   2.164 -12.102   2.105
  966    HD2  LYS 125           HD2      LYS 125   4.044 -12.599   3.475
  967    HD3  LYS 125           HD3      LYS 125   2.603 -12.859   4.472
  968    HE2  LYS 125           HE2      LYS 125   2.774 -15.303   4.110
  969    HE3  LYS 125           HE3      LYS 125   4.123 -15.059   2.992
  970    HZ1  LYS 125           HZ1      LYS 125   4.181 -14.431   5.882
  971    HZ2  LYS 125           HZ2      LYS 125   4.928 -15.688   5.155
  972    HZ3  LYS 125           HZ3      LYS 125   5.417 -14.157   4.829
  973    H    PHE 126           H        PHE 126  -2.253 -12.796   0.783
  974    HA   PHE 126           HA       PHE 126  -3.716 -15.267   1.403
  975    HB2  PHE 126           HB2      PHE 126  -5.331 -14.301   2.718
  976    HB3  PHE 126           HB3      PHE 126  -3.857 -13.638   3.383
  977    HD1  PHE 126           HD2      PHE 126  -6.893 -12.902   1.360
  978    HD2  PHE 126           HD1      PHE 126  -3.486 -11.216   3.394
  979    HE1  PHE 126           HE2      PHE 126  -7.879 -10.639   1.141
  980    HE2  PHE 126           HE1      PHE 126  -4.466  -8.952   3.152
  981    HZ   PHE 126           HZ       PHE 126  -6.666  -8.656   2.029
  Start of MODEL   13
    1    H1   MET   1           H1       MET   1   4.264 -15.795  -4.131
    2    H2   MET   1           H2       MET   1   4.681 -14.319  -4.709
    3    H3   MET   1           H3       MET   1   5.622 -15.622  -5.048
    4    HA   MET   1           HA       MET   1   5.205 -14.339  -2.450
    5    HB2  MET   1           HB2      MET   1   5.365 -16.808  -2.208
    6    HB3  MET   1           HB3      MET   1   6.918 -16.795  -3.047
    7    HG2  MET   1           HG2      MET   1   7.141 -16.910  -0.580
    8    HG3  MET   1           HG3      MET   1   7.946 -15.515  -1.274
    9    HE1  MET   1           HE1      MET   1   4.066 -16.106  -0.289
   10    HE2  MET   1           HE2      MET   1   5.081 -16.868   0.959
   11    HE3  MET   1           HE3      MET   1   4.123 -15.427   1.349
   12    H    ALA   2           H        ALA   2   6.897 -13.006  -1.748
   13    HA   ALA   2           HA       ALA   2   9.433 -12.907  -3.114
   14    HB1  ALA   2           HB1      ALA   2   7.789 -10.327  -3.026
   15    HB2  ALA   2           HB2      ALA   2   9.396 -10.561  -3.721
   16    HB3  ALA   2           HB3      ALA   2   7.992 -11.305  -4.499
   17    H    SER   3           H        SER   3  10.761 -11.117  -1.893
   18    HA   SER   3           HA       SER   3   9.984 -11.008   0.987
   19    HB2  SER   3           HB2      SER   3  12.753 -11.528  -0.166
   20    HB3  SER   3           HB3      SER   3  12.294 -11.521   1.546
   21    HG   SER   3           HG       SER   3  12.413 -13.639   0.672
   22    H    VAL   4           H        VAL   4   9.507  -9.016  -1.046
   23    HA   VAL   4           HA       VAL   4  11.528  -7.033  -1.160
   24    HB   VAL   4           HB       VAL   4   9.724  -7.511  -2.801
   25   HG11  VAL   4          HG11      VAL   4   7.480  -6.669  -2.542
   26   HG12  VAL   4          HG12      VAL   4   7.816  -7.743  -1.182
   27   HG13  VAL   4          HG13      VAL   4   7.857  -5.986  -0.951
   28   HG21  VAL   4          HG21      VAL   4   9.713  -4.596  -1.957
   29   HG22  VAL   4          HG22      VAL   4  10.977  -5.390  -2.924
   30   HG23  VAL   4          HG23      VAL   4   9.327  -5.262  -3.554
   31    H    GLU   5           H        GLU   5   9.359  -7.765   1.421
   32    HA   GLU   5           HA       GLU   5   8.848  -5.180   2.495
   33    HB2  GLU   5           HB2      GLU   5   8.979  -7.975   3.688
   34    HB3  GLU   5           HB3      GLU   5   8.587  -6.549   4.665
   35    HG2  GLU   5           HG2      GLU   5   6.668  -6.025   3.287
   36    HG3  GLU   5           HG3      GLU   5   7.077  -7.295   2.137
   37    H    ARG   6           H        ARG   6   9.767  -4.205   4.442
   38    HA   ARG   6           HA       ARG   6  12.383  -3.494   4.133
   39    HB2  ARG   6           HB2      ARG   6  10.559  -2.318   5.311
   40    HB3  ARG   6           HB3      ARG   6  10.618  -3.502   6.621
   41    HG2  ARG   6           HG2      ARG   6  12.903  -2.745   7.216
   42    HG3  ARG   6           HG3      ARG   6  12.853  -1.569   5.870
   43    HD2  ARG   6           HD2      ARG   6  10.777  -0.603   6.838
   44    HD3  ARG   6           HD3      ARG   6  10.894  -1.728   8.203
   45    HE   ARG   6           HE       ARG   6  13.323  -0.515   8.288
   46   HH11  ARG   6          HH11      ARG   6  10.050   0.881   8.138
   47   HH12  ARG   6          HH12      ARG   6  10.463   2.288   9.034
   48   HH21  ARG   6          HH21      ARG   6  13.870   1.377   9.460
   49   HH22  ARG   6          HH22      ARG   6  12.686   2.582   9.789
   50    H    ASP   7           H        ASP   7  11.127  -5.832   6.569
   51    HA   ASP   7           HA       ASP   7  13.389  -7.541   6.498
   52    HB2  ASP   7           HB2      ASP   7  14.400  -5.673   7.849
   53    HB3  ASP   7           HB3      ASP   7  13.075  -5.803   8.992
   54    H    GLU   8           H        GLU   8  12.979  -9.150   8.527
   55    HA   GLU   8           HA       GLU   8  10.330 -10.142   8.357
   56    HB2  GLU   8           HB2      GLU   8  10.991 -11.760  10.000
   57    HB3  GLU   8           HB3      GLU   8  12.315 -11.510   8.864
   58    HG2  GLU   8           HG2      GLU   8  13.456 -10.043  10.532
   59    HG3  GLU   8           HG3      GLU   8  12.129 -10.298  11.664
   60    H    THR   9           H        THR   9  11.277  -7.363  10.040
   61    HA   THR   9           HA       THR   9   9.691  -7.347  12.393
   62    HB   THR   9           HB       THR   9   9.652  -4.847  11.659
   63    HG1  THR   9           HG1      THR   9  11.030  -4.304  10.007
   64   HG21  THR   9          HG21      THR   9  12.034  -4.491  12.216
   65   HG22  THR   9          HG22      THR   9  11.320  -5.712  13.286
   66   HG23  THR   9          HG23      THR   9  12.370  -6.216  11.941
   67    H    ARG  10           H        ARG  10   9.037  -6.574   8.950
   68    HA   ARG  10           HA       ARG  10   6.297  -5.849   9.326
   69    HB2  ARG  10           HB2      ARG  10   7.751  -6.945   6.881
   70    HB3  ARG  10           HB3      ARG  10   6.111  -6.298   6.849
   71    HG2  ARG  10           HG2      ARG  10   8.641  -4.734   7.519
   72    HG3  ARG  10           HG3      ARG  10   7.720  -4.672   6.018
   73    HD2  ARG  10           HD2      ARG  10   5.803  -4.125   8.001
   74    HD3  ARG  10           HD3      ARG  10   7.250  -3.280   8.565
   75    HE   ARG  10           HE       ARG  10   5.829  -2.987   5.957
   76   HH11  ARG  10          HH11      ARG  10   7.704  -1.407   8.561
   77   HH12  ARG  10          HH12      ARG  10   7.510   0.190   7.886
   78   HH21  ARG  10          HH21      ARG  10   5.739  -0.857   5.044
   79   HH22  ARG  10          HH22      ARG  10   6.570   0.466   5.804
   80    H    GLU  11           H        GLU  11   7.787  -9.039   8.475
   81    HA   GLU  11           HA       GLU  11   5.341 -10.447   8.185
   82    HB2  GLU  11           HB2      GLU  11   8.063 -11.382   9.186
   83    HB3  GLU  11           HB3      GLU  11   6.735 -12.473   8.838
   84    HG2  GLU  11           HG2      GLU  11   7.817 -10.595   6.707
   85    HG3  GLU  11           HG3      GLU  11   8.593 -12.123   7.082
   86    H    HIS  12           H        HIS  12   7.367  -9.834  11.098
   87    HA   HIS  12           HA       HIS  12   5.775 -11.301  12.929
   88    HB2  HIS  12           HB2      HIS  12   8.078 -10.565  13.371
   89    HB3  HIS  12           HB3      HIS  12   7.576  -8.878  13.352
   90    HD1  HIS  12           HD1      HIS  12   7.157 -12.037  15.554
   91    HD2  HIS  12           HD2      HIS  12   6.601  -7.861  15.585
   92    HE1  HIS  12           HE1      HIS  12   6.634 -11.402  17.961
   93    H    ARG  13           H        ARG  13   5.653  -7.775  12.048
   94    HA   ARG  13           HA       ARG  13   3.510  -7.179  13.867
   95    HB2  ARG  13           HB2      ARG  13   4.439  -5.819  11.298
   96    HB3  ARG  13           HB3      ARG  13   3.200  -5.150  12.357
   97    HG2  ARG  13           HG2      ARG  13   6.041  -5.754  13.285
   98    HG3  ARG  13           HG3      ARG  13   5.508  -4.190  12.663
   99    HD2  ARG  13           HD2      ARG  13   3.869  -3.995  14.483
  100    HD3  ARG  13           HD3      ARG  13   4.349  -5.585  15.113
  101    HE   ARG  13           HE       ARG  13   6.676  -4.012  14.909
  102   HH11  ARG  13          HH11      ARG  13   3.650  -4.015  16.785
  103   HH12  ARG  13          HH12      ARG  13   4.369  -3.275  18.181
  104   HH21  ARG  13          HH21      ARG  13   7.614  -3.019  16.760
  105   HH22  ARG  13          HH22      ARG  13   6.662  -2.692  18.156
  106    H    ILE  14           H        ILE  14   3.495  -8.187  10.417
  107    HA   ILE  14           HA       ILE  14   0.709  -7.972   9.983
  108    HB   ILE  14           HB       ILE  14   2.871  -9.759   8.834
  109   HG12  ILE  14          HG12      ILE  14   1.276  -7.553   7.475
  110   HG13  ILE  14          HG13      ILE  14   2.722  -7.193   8.397
  111   HG21  ILE  14          HG21      ILE  14  -0.033  -9.625   7.916
  112   HG22  ILE  14          HG22      ILE  14   1.292 -10.405   7.024
  113   HG23  ILE  14          HG23      ILE  14   0.811 -11.043   8.588
  114   HD11  ILE  14          HD11      ILE  14   2.564  -8.908   5.890
  115   HD12  ILE  14          HD12      ILE  14   3.347  -7.331   6.098
  116   HD13  ILE  14          HD13      ILE  14   4.018  -8.758   6.904
  117    H    GLU  15           H        GLU  15   2.634 -10.810  11.119
  118    HA   GLU  15           HA       GLU  15   0.395 -12.470  11.514
  119    HB2  GLU  15           HB2      GLU  15   2.689 -13.274  11.294
  120    HB3  GLU  15           HB3      GLU  15   3.172 -12.462  12.789
  121    HG2  GLU  15           HG2      GLU  15   1.736 -13.919  14.113
  122    HG3  GLU  15           HG3      GLU  15   1.075 -14.665  12.651
  123    H    THR  16           H        THR  16   2.038 -10.271  13.868
  124    HA   THR  16           HA       THR  16   0.369 -11.333  16.008
  125    HB   THR  16           HB       THR  16   1.671  -9.722  17.418
  126    HG1  THR  16           HG1      THR  16   3.207  -9.345  15.065
  127   HG21  THR  16          HG21      THR  16   2.388 -12.063  17.104
  128   HG22  THR  16          HG22      THR  16   3.339 -11.597  15.679
  129   HG23  THR  16          HG23      THR  16   3.767 -10.970  17.287
  130    H    GLU  17           H        GLU  17   0.139  -8.492  13.946
  131    HA   GLU  17           HA       GLU  17  -2.030  -7.447  15.718
  132    HB2  GLU  17           HB2      GLU  17   0.164  -5.888  14.299
  133    HB3  GLU  17           HB3      GLU  17  -1.218  -5.177  15.131
  134    HG2  GLU  17           HG2      GLU  17  -0.509  -6.317  17.247
  135    HG3  GLU  17           HG3      GLU  17   0.954  -6.866  16.425
  136    H    ILE  18           H        ILE  18  -1.434  -8.518  12.498
  137    HA   ILE  18           HA       ILE  18  -3.739  -6.851  11.563
  138    HB   ILE  18           HB       ILE  18  -1.632  -8.135   9.804
  139   HG12  ILE  18          HG12      ILE  18  -1.810  -5.335  10.982
  140   HG13  ILE  18          HG13      ILE  18  -0.486  -6.468  11.144
  141   HG21  ILE  18          HG21      ILE  18  -3.883  -7.674   8.779
  142   HG22  ILE  18          HG22      ILE  18  -3.688  -5.972   9.218
  143   HG23  ILE  18          HG23      ILE  18  -2.584  -6.743   8.055
  144   HD11  ILE  18          HD11      ILE  18  -1.251  -4.893   8.668
  145   HD12  ILE  18          HD12      ILE  18   0.241  -4.809   9.618
  146   HD13  ILE  18          HD13      ILE  18  -0.104  -6.247   8.638
  147    H    ILE  19           H        ILE  19  -2.327 -10.194  11.381
  148    HA   ILE  19           HA       ILE  19  -5.081 -11.168  10.775
  149    HB   ILE  19           HB       ILE  19  -4.007 -12.760   9.279
  150   HG12  ILE  19          HG12      ILE  19  -1.499 -11.060   9.440
  151   HG13  ILE  19          HG13      ILE  19  -1.707 -12.473  10.490
  152   HG21  ILE  19          HG21      ILE  19  -3.370  -9.884   8.488
  153   HG22  ILE  19          HG22      ILE  19  -3.757 -11.239   7.424
  154   HG23  ILE  19          HG23      ILE  19  -5.002 -10.572   8.485
  155   HD11  ILE  19          HD11      ILE  19  -0.497 -13.129   8.549
  156   HD12  ILE  19          HD12      ILE  19  -2.123 -13.863   8.505
  157   HD13  ILE  19          HD13      ILE  19  -1.754 -12.453   7.471
  158    H    VAL  20           H        VAL  20  -3.493 -11.149  13.421
  159    HA   VAL  20           HA       VAL  20  -2.475 -13.533  14.113
  160    HB   VAL  20           HB       VAL  20  -2.573 -11.459  15.459
  161   HG11  VAL  20          HG11      VAL  20  -5.023 -11.026  15.377
  162   HG12  VAL  20          HG12      VAL  20  -5.290 -12.434  16.430
  163   HG13  VAL  20          HG13      VAL  20  -4.381 -11.031  17.025
  164   HG21  VAL  20          HG21      VAL  20  -2.474 -12.534  17.646
  165   HG22  VAL  20          HG22      VAL  20  -3.337 -13.957  17.019
  166   HG23  VAL  20          HG23      VAL  20  -1.710 -13.561  16.419
  167    H    ASP  21           H        ASP  21  -6.021 -13.002  14.024
  168    HA   ASP  21           HA       ASP  21  -6.419 -15.840  14.786
  169    HB2  ASP  21           HB2      ASP  21  -8.473 -15.284  15.689
  170    HB3  ASP  21           HB3      ASP  21  -7.441 -13.949  16.182
  171    H    ALA  22           H        ALA  22  -5.925 -14.264  12.085
  172    HA   ALA  22           HA       ALA  22  -8.375 -14.971  10.598
  173    HB1  ALA  22           HB1      ALA  22  -7.849 -12.578  10.671
  174    HB2  ALA  22           HB2      ALA  22  -6.250 -12.917   9.962
  175    HB3  ALA  22           HB3      ALA  22  -7.718 -13.254   9.038
  176    H    GLU  23           H        GLU  23  -8.254 -16.360   9.068
  177    HA   GLU  23           HA       GLU  23  -5.780 -16.936   7.580
  178    HB2  GLU  23           HB2      GLU  23  -7.389 -19.339   8.414
  179    HB3  GLU  23           HB3      GLU  23  -5.826 -19.262   7.634
  180    HG2  GLU  23           HG2      GLU  23  -5.239 -19.991   9.721
  181    HG3  GLU  23           HG3      GLU  23  -4.975 -18.261   9.912
  182    H    ASP  24           H        ASP  24  -9.333 -17.084   8.006
  183    HA   ASP  24           HA       ASP  24  -9.885 -18.374   5.493
  184    HB2  ASP  24           HB2      ASP  24 -11.612 -16.927   7.552
  185    HB3  ASP  24           HB3      ASP  24 -12.202 -17.943   6.252
  186    H    LYS  25           H        LYS  25 -10.750 -17.156   3.663
  187    HA   LYS  25           HA       LYS  25  -9.235 -14.952   2.975
  188    HB2  LYS  25           HB2      LYS  25 -12.072 -15.461   1.949
  189    HB3  LYS  25           HB3      LYS  25 -10.821 -14.540   1.123
  190    HG2  LYS  25           HG2      LYS  25 -10.665 -17.498   1.770
  191    HG3  LYS  25           HG3      LYS  25 -11.252 -16.818   0.251
  192    HD2  LYS  25           HD2      LYS  25  -9.100 -15.848  -0.269
  193    HD3  LYS  25           HD3      LYS  25  -8.439 -16.279   1.325
  194    HE2  LYS  25           HE2      LYS  25  -8.434 -18.581   0.872
  195    HE3  LYS  25           HE3      LYS  25  -9.553 -18.429  -0.491
  196    HZ1  LYS  25           HZ1      LYS  25  -7.207 -18.804  -1.144
  197    HZ2  LYS  25           HZ2      LYS  25  -7.841 -17.453  -1.799
  198    HZ3  LYS  25           HZ3      LYS  25  -6.798 -17.327  -0.548
  199    H    GLU  26           H        GLU  26 -12.513 -14.914   4.321
  200    HA   GLU  26           HA       GLU  26 -12.887 -12.145   3.812
  201    HB2  GLU  26           HB2      GLU  26 -14.347 -14.043   5.712
  202    HB3  GLU  26           HB3      GLU  26 -14.900 -12.415   5.291
  203    HG2  GLU  26           HG2      GLU  26 -15.011 -13.082   2.889
  204    HG3  GLU  26           HG3      GLU  26 -14.508 -14.717   3.315
  205    H    GLU  27           H        GLU  27 -11.645 -14.075   6.577
  206    HA   GLU  27           HA       GLU  27 -11.657 -11.929   8.501
  207    HB2  GLU  27           HB2      GLU  27  -9.890 -14.395   8.351
  208    HB3  GLU  27           HB3      GLU  27 -10.157 -13.373   9.766
  209    HG2  GLU  27           HG2      GLU  27 -12.483 -14.074   9.898
  210    HG3  GLU  27           HG3      GLU  27 -12.305 -15.053   8.431
  211    H    ARG  28           H        ARG  28  -9.108 -13.409   6.313
  212    HA   ARG  28           HA       ARG  28  -7.148 -11.553   7.353
  213    HB2  ARG  28           HB2      ARG  28  -7.128 -13.334   4.886
  214    HB3  ARG  28           HB3      ARG  28  -5.828 -12.179   5.254
  215    HG2  ARG  28           HG2      ARG  28  -5.655 -13.164   7.559
  216    HG3  ARG  28           HG3      ARG  28  -6.764 -14.443   7.063
  217    HD2  ARG  28           HD2      ARG  28  -4.155 -13.861   5.607
  218    HD3  ARG  28           HD3      ARG  28  -4.219 -14.874   7.057
  219    HE   ARG  28           HE       ARG  28  -6.169 -15.934   5.377
  220   HH11  ARG  28          HH21      ARG  28  -2.653 -15.478   5.208
  221   HH12  ARG  28          HH22      ARG  28  -2.431 -16.720   4.031
  222   HH21  ARG  28          HH11      ARG  28  -5.823 -17.833   4.293
  223   HH22  ARG  28          HH12      ARG  28  -4.260 -18.260   3.661
  224    H    ALA  29           H        ALA  29  -9.377 -11.278   4.541
  225    HA   ALA  29           HA       ALA  29  -8.352  -8.815   3.617
  226    HB1  ALA  29           HB1      ALA  29 -11.235  -9.819   3.669
  227    HB2  ALA  29           HB2      ALA  29 -10.581  -8.522   2.631
  228    HB3  ALA  29           HB3      ALA  29 -10.032 -10.194   2.422
  229    H    MET  30           H        MET  30 -10.878  -9.480   6.155
  230    HA   MET  30           HA       MET  30 -11.240  -6.725   6.807
  231    HB2  MET  30           HB2      MET  30 -11.803  -9.259   8.362
  232    HB3  MET  30           HB3      MET  30 -12.212  -7.647   8.945
  233    HG2  MET  30           HG2      MET  30 -13.249  -8.872   6.361
  234    HG3  MET  30           HG3      MET  30 -14.112  -8.770   7.883
  235    HE1  MET  30           HE1      MET  30 -13.894  -5.683   4.583
  236    HE2  MET  30           HE2      MET  30 -12.297  -5.911   5.289
  237    HE3  MET  30           HE3      MET  30 -13.166  -7.304   4.626
  238    H    GLY  31           H        GLY  31  -8.939  -9.123   8.151
  239    HA2  GLY  31           HA2      GLY  31  -7.998  -7.570  10.305
  240    HA3  GLY  31           HA3      GLY  31  -7.084  -8.809   9.416
  241    H    TRP  32           H        TRP  32  -6.797  -7.794   6.898
  242    HA   TRP  32           HA       TRP  32  -4.819  -5.777   7.134
  243    HB2  TRP  32           HB2      TRP  32  -6.335  -6.987   4.818
  244    HB3  TRP  32           HB3      TRP  32  -5.342  -5.556   4.572
  245    HD1  TRP  32           HD1      TRP  32  -5.010  -9.265   5.070
  246    HE1  TRP  32           HE1      TRP  32  -2.544  -9.961   4.968
  247    HE3  TRP  32           HE3      TRP  32  -2.896  -4.635   5.055
  248    HZ2  TRP  32           HZ2      TRP  32   0.043  -8.640   5.238
  249    HZ3  TRP  32           HZ3      TRP  32  -0.426  -4.365   5.120
  250    HH2  TRP  32           HH2      TRP  32   1.045  -6.360   5.219
  251    H    TYR  33           H        TYR  33  -8.281  -5.552   6.131
  252    HA   TYR  33           HA       TYR  33  -8.290  -2.818   5.489
  253    HB2  TYR  33           HB2      TYR  33 -10.096  -4.183   4.809
  254    HB3  TYR  33           HB3      TYR  33 -10.362  -4.792   6.423
  255    HD1  TYR  33           HD1      TYR  33 -10.288  -1.321   4.913
  256    HD2  TYR  33           HD2      TYR  33 -12.405  -4.230   7.285
  257    HE1  TYR  33           HE1      TYR  33 -12.101   0.319   5.311
  258    HE2  TYR  33           HE2      TYR  33 -14.199  -2.594   7.713
  259    HH   TYR  33           HH       TYR  33 -14.979  -0.428   7.327
  260    H    TYR  34           H        TYR  34  -8.974  -4.369   8.701
  261    HA   TYR  34           HA       TYR  34  -9.742  -1.937   9.968
  262    HB2  TYR  34           HB2      TYR  34  -8.545  -4.477  11.147
  263    HB3  TYR  34           HB3      TYR  34  -9.341  -3.206  12.058
  264    HD1  TYR  34           HD2      TYR  34 -11.584  -3.172   9.501
  265    HD2  TYR  34           HD1      TYR  34 -10.064  -5.967  12.423
  266    HE1  TYR  34           HE2      TYR  34 -13.725  -4.388   9.449
  267    HE2  TYR  34           HE1      TYR  34 -12.205  -7.208  12.351
  268    HH   TYR  34           HH       TYR  34 -14.955  -6.188  10.270
  269    H    TYR  35           H        TYR  35  -6.562  -3.679   9.824
  270    HA   TYR  35           HA       TYR  35  -5.280  -1.783  11.565
  271    HB2  TYR  35           HB2      TYR  35  -4.561  -4.164  11.114
  272    HB3  TYR  35           HB3      TYR  35  -4.043  -3.660   9.508
  273    HD1  TYR  35           HD1      TYR  35  -3.361  -3.448  13.142
  274    HD2  TYR  35           HD2      TYR  35  -2.009  -2.302   9.208
  275    HE1  TYR  35           HE1      TYR  35  -1.159  -2.826  14.083
  276    HE2  TYR  35           HE2      TYR  35   0.190  -1.678  10.134
  277    HH   TYR  35           HH       TYR  35   1.517  -1.541  12.049
  278    H    LEU  36           H        LEU  36  -5.581  -2.008   7.966
  279    HA   LEU  36           HA       LEU  36  -3.735   0.122   7.463
  280    HB2  LEU  36           HB2      LEU  36  -5.795  -1.368   5.861
  281    HB3  LEU  36           HB3      LEU  36  -5.338   0.224   5.295
  282    HG   LEU  36           HG       LEU  36  -3.096  -0.301   4.966
  283   HD11  LEU  36          HD11      LEU  36  -2.422  -1.519   6.944
  284   HD12  LEU  36          HD12      LEU  36  -3.450  -2.899   6.506
  285   HD13  LEU  36          HD13      LEU  36  -2.021  -2.473   5.528
  286   HD21  LEU  36          HD21      LEU  36  -4.632  -2.829   4.212
  287   HD22  LEU  36          HD22      LEU  36  -4.737  -1.293   3.339
  288   HD23  LEU  36          HD23      LEU  36  -3.198  -2.170   3.392
  289    H    ASP  37           H        ASP  37  -7.386   0.110   7.832
  290    HA   ASP  37           HA       ASP  37  -7.587   2.957   7.594
  291    HB2  ASP  37           HB2      ASP  37  -9.674   1.683   7.893
  292    HB3  ASP  37           HB3      ASP  37  -9.142   1.097   9.461
  293    H    ASP  38           H        ASP  38  -6.828   0.867  10.519
  294    HA   ASP  38           HA       ASP  38  -6.999   3.219  11.879
  295    HB2  ASP  38           HB2      ASP  38  -7.218   1.050  13.016
  296    HB3  ASP  38           HB3      ASP  38  -5.447   1.039  13.172
  297    H    THR  39           H        THR  39  -4.365   2.087  10.070
  298    HA   THR  39           HA       THR  39  -2.257   3.595  11.462
  299    HB   THR  39           HB       THR  39  -2.341   2.224   8.732
  300    HG1  THR  39           HG1      THR  39  -2.720   0.715  10.322
  301   HG21  THR  39          HG21      THR  39   0.035   2.884  10.515
  302   HG22  THR  39          HG22      THR  39   0.079   2.243   8.861
  303   HG23  THR  39          HG23      THR  39  -0.497   3.897   9.165
  304    H    LEU  40           H        LEU  40  -4.203   3.842   8.455
  305    HA   LEU  40           HA       LEU  40  -3.163   6.320   7.527
  306    HB2  LEU  40           HB2      LEU  40  -5.924   5.101   7.175
  307    HB3  LEU  40           HB3      LEU  40  -5.264   6.409   6.199
  308    HG   LEU  40           HG       LEU  40  -3.931   3.679   6.298
  309   HD11  LEU  40          HD11      LEU  40  -6.298   3.377   5.598
  310   HD12  LEU  40          HD12      LEU  40  -6.091   4.622   4.347
  311   HD13  LEU  40          HD13      LEU  40  -5.193   3.091   4.256
  312   HD21  LEU  40          HD21      LEU  40  -2.508   5.303   5.311
  313   HD22  LEU  40          HD22      LEU  40  -3.151   4.274   4.039
  314   HD23  LEU  40          HD23      LEU  40  -3.815   5.903   4.249
  315    H    GLU  41           H        GLU  41  -3.718   8.409   8.005
  316    HA   GLU  41           HA       GLU  41  -6.039   8.957   9.802
  317    HB2  GLU  41           HB2      GLU  41  -3.279  10.229   9.735
  318    HB3  GLU  41           HB3      GLU  41  -4.658  10.930  10.592
  319    HG2  GLU  41           HG2      GLU  41  -3.566   8.137  11.127
  320    HG3  GLU  41           HG3      GLU  41  -3.099   9.573  12.024
  321    H    PHE  42           H        PHE  42  -6.759   8.669   7.414
  322    HA   PHE  42           HA       PHE  42  -6.476  10.803   5.570
  323    HB2  PHE  42           HB2      PHE  42  -8.562   9.733   4.563
  324    HB3  PHE  42           HB3      PHE  42  -7.189   8.691   4.783
  325    HD1  PHE  42           HD1      PHE  42 -10.383   9.706   6.517
  326    HD2  PHE  42           HD2      PHE  42  -7.546   6.571   5.656
  327    HE1  PHE  42           HE1      PHE  42 -11.875   8.054   7.602
  328    HE2  PHE  42           HE2      PHE  42  -9.034   4.925   6.772
  329    HZ   PHE  42           HZ       PHE  42 -11.212   5.665   7.723
  330    HA   PRO  43           HA       PRO  43  -8.468  11.661   3.913
  331    HB2  PRO  43           HB2      PRO  43  -8.739  14.259   3.141
  332    HB3  PRO  43           HB3      PRO  43 -10.116  13.205   3.575
  333    HG2  PRO  43           HG2      PRO  43  -8.689  15.215   5.342
  334    HG3  PRO  43           HG3      PRO  43 -10.455  15.016   5.091
  335    HD2  PRO  43           HD2      PRO  43  -9.182  13.912   7.229
  336    HD3  PRO  43           HD3      PRO  43 -10.511  13.049   6.402
  337    H    PHE  44           H        PHE  44  -6.800  12.112   2.397
  338    HA   PHE  44           HA       PHE  44  -4.614  13.910   3.101
  339    HB2  PHE  44           HB2      PHE  44  -2.862  12.282   2.948
  340    HB3  PHE  44           HB3      PHE  44  -3.917  11.857   4.280
  341    HD1  PHE  44           HD2      PHE  44  -5.294   9.782   4.171
  342    HD2  PHE  44           HD1      PHE  44  -2.565  10.826   1.036
  343    HE1  PHE  44           HE2      PHE  44  -5.479   7.484   3.254
  344    HE2  PHE  44           HE1      PHE  44  -2.755   8.546   0.094
  345    HZ   PHE  44           HZ       PHE  44  -4.214   6.861   1.207
  346    H    MET  45           H        MET  45  -3.041  14.033   1.177
  347    HA   MET  45           HA       MET  45  -4.601  13.854  -1.335
  348    HB2  MET  45           HB2      MET  45  -3.427  15.957  -0.625
  349    HB3  MET  45           HB3      MET  45  -1.888  15.082  -0.643
  350    HG2  MET  45           HG2      MET  45  -2.276  14.615  -3.093
  351    HG3  MET  45           HG3      MET  45  -3.698  15.662  -3.015
  352    HE1  MET  45           HE1      MET  45  -2.644  17.017  -5.038
  353    HE2  MET  45           HE2      MET  45  -0.944  17.550  -5.080
  354    HE3  MET  45           HE3      MET  45  -1.341  15.812  -4.990
  355    H    GLY  46           H        GLY  46  -3.881  12.513  -3.158
  356    HA2  GLY  46           HA2      GLY  46  -1.271  11.226  -2.931
  357    HA3  GLY  46           HA3      GLY  46  -2.658  10.125  -2.897
  358    H    LYS  47           H        LYS  47  -0.941   9.803  -4.855
  359    HA   LYS  47           HA       LYS  47  -2.261  10.960  -7.269
  360    HB2  LYS  47           HB2      LYS  47   0.356  10.998  -7.028
  361    HB3  LYS  47           HB3      LYS  47   0.278   9.254  -7.168
  362    HG2  LYS  47           HG2      LYS  47   0.706  10.022  -9.364
  363    HG3  LYS  47           HG3      LYS  47  -1.007   9.602  -9.343
  364    HD2  LYS  47           HD2      LYS  47  -0.833  11.648 -10.540
  365    HD3  LYS  47           HD3      LYS  47  -1.513  12.072  -8.963
  366    HE2  LYS  47           HE2      LYS  47   0.643  12.887  -8.176
  367    HE3  LYS  47           HE3      LYS  47   1.445  12.311  -9.643
  368    HZ1  LYS  47           HZ1      LYS  47   0.957  14.705  -9.689
  369    HZ2  LYS  47           HZ2      LYS  47   0.230  13.931 -10.920
  370    HZ3  LYS  47           HZ3      LYS  47  -0.654  14.420  -9.636
  371    H    TRP  48           H        TRP  48  -3.780   9.658  -8.173
  372    HA   TRP  48           HA       TRP  48  -3.944   6.791  -7.420
  373    HB2  TRP  48           HB2      TRP  48  -6.034   8.139  -7.554
  374    HB3  TRP  48           HB3      TRP  48  -5.691   8.520  -9.233
  375    HD1  TRP  48           HD1      TRP  48  -4.855   4.977  -8.725
  376    HE1  TRP  48           HE1      TRP  48  -6.696   3.420  -9.485
  377    HE3  TRP  48           HE3      TRP  48  -8.630   8.400  -9.142
  378    HZ2  TRP  48           HZ2      TRP  48  -9.520   3.610 -10.171
  379    HZ3  TRP  48           HZ3      TRP  48 -10.905   7.671  -9.807
  380    HH2  TRP  48           HH2      TRP  48 -11.361   5.284 -10.321
  381    H    LYS  49           H        LYS  49  -2.334   5.713  -8.446
  382    HA   LYS  49           HA       LYS  49  -1.452   6.425 -11.191
  383    HB2  LYS  49           HB2      LYS  49  -0.237   4.701  -8.985
  384    HB3  LYS  49           HB3      LYS  49   0.462   4.931 -10.588
  385    HG2  LYS  49           HG2      LYS  49   0.719   7.364 -10.154
  386    HG3  LYS  49           HG3      LYS  49  -0.040   7.166  -8.574
  387    HD2  LYS  49           HD2      LYS  49   2.289   7.264  -8.147
  388    HD3  LYS  49           HD3      LYS  49   1.789   5.595  -7.919
  389    HE2  LYS  49           HE2      LYS  49   3.794   5.388  -9.080
  390    HE3  LYS  49           HE3      LYS  49   2.584   5.169 -10.341
  391    HZ1  LYS  49           HZ1      LYS  49   4.113   7.655  -9.798
  392    HZ2  LYS  49           HZ2      LYS  49   4.339   6.655 -11.057
  393    HZ3  LYS  49           HZ3      LYS  49   2.975   7.549 -10.969
  394    H    LYS  50           H        LYS  50  -3.672   5.647 -11.669
  395    HA   LYS  50           HA       LYS  50  -4.641   3.039 -11.173
  396    HB2  LYS  50           HB2      LYS  50  -5.913   5.072 -11.981
  397    HB3  LYS  50           HB3      LYS  50  -5.248   4.795 -13.594
  398    HG2  LYS  50           HG2      LYS  50  -6.331   2.569 -13.665
  399    HG3  LYS  50           HG3      LYS  50  -6.936   2.798 -12.012
  400    HD2  LYS  50           HD2      LYS  50  -8.216   4.803 -12.781
  401    HD3  LYS  50           HD3      LYS  50  -7.653   4.505 -14.439
  402    HE2  LYS  50           HE2      LYS  50  -8.746   2.270 -14.401
  403    HE3  LYS  50           HE3      LYS  50  -9.291   2.560 -12.745
  404    HZ1  LYS  50           HZ1      LYS  50 -10.117   4.144 -15.112
  405    HZ2  LYS  50           HZ2      LYS  50 -11.031   3.038 -14.344
  406    HZ3  LYS  50           HZ3      LYS  50 -10.619   4.416 -13.579
  407    H    LYS  51           H        LYS  51  -3.721   1.114 -11.750
  408    HA   LYS  51           HA       LYS  51  -1.856   1.016 -14.002
  409    HB2  LYS  51           HB2      LYS  51  -1.477   0.096 -11.638
  410    HB3  LYS  51           HB3      LYS  51  -2.605  -1.196 -12.043
  411    HG2  LYS  51           HG2      LYS  51  -1.128  -1.936 -13.878
  412    HG3  LYS  51           HG3      LYS  51  -0.071  -0.539 -13.631
  413    HD2  LYS  51           HD2      LYS  51   0.459  -1.388 -11.338
  414    HD3  LYS  51           HD3      LYS  51  -0.570  -2.804 -11.649
  415    HE2  LYS  51           HE2      LYS  51   0.866  -3.402 -13.600
  416    HE3  LYS  51           HE3      LYS  51   1.885  -1.995 -13.282
  417    HZ1  LYS  51           HZ1      LYS  51   2.473  -2.983 -11.142
  418    HZ2  LYS  51           HZ2      LYS  51   1.528  -4.287 -11.433
  419    HZ3  LYS  51           HZ3      LYS  51   2.841  -4.005 -12.354
  420    H    SER  52           H        SER  52  -4.246   1.548 -15.108
  421    HA   SER  52           HA       SER  52  -5.153  -1.026 -16.291
  422    HB2  SER  52           HB2      SER  52  -7.116   0.995 -15.167
  423    HB3  SER  52           HB3      SER  52  -7.439  -0.647 -15.733
  424    HG   SER  52           HG       SER  52  -7.424  -0.580 -13.483
  425    H    ARG  53           H        ARG  53  -3.630   1.418 -17.358
  426    HA   ARG  53           HA       ARG  53  -5.351   3.066 -18.857
  427    HB2  ARG  53           HB2      ARG  53  -2.969   3.515 -18.492
  428    HB3  ARG  53           HB3      ARG  53  -2.521   2.143 -19.498
  429    HG2  ARG  53           HG2      ARG  53  -2.210   4.260 -20.648
  430    HG3  ARG  53           HG3      ARG  53  -3.376   3.266 -21.504
  431    HD2  ARG  53           HD2      ARG  53  -4.331   5.354 -19.531
  432    HD3  ARG  53           HD3      ARG  53  -3.770   5.854 -21.136
  433    HE   ARG  53           HE       ARG  53  -5.675   3.714 -21.326
  434   HH11  ARG  53          HH11      ARG  53  -5.619   7.194 -20.584
  435   HH12  ARG  53          HH12      ARG  53  -7.105   7.517 -21.420
  436   HH21  ARG  53          HH21      ARG  53  -7.678   4.117 -22.288
  437   HH22  ARG  53          HH22      ARG  53  -8.340   5.707 -22.336
  438    H    LYS  54           H        LYS  54  -4.071  -0.146 -19.735
  439    HA   LYS  54           HA       LYS  54  -6.393  -0.678 -21.326
  440    HB2  LYS  54           HB2      LYS  54  -5.121   0.525 -23.084
  441    HB3  LYS  54           HB3      LYS  54  -3.721  -0.520 -22.831
  442    HG2  LYS  54           HG2      LYS  54  -5.089  -2.496 -23.508
  443    HG3  LYS  54           HG3      LYS  54  -6.484  -1.442 -23.765
  444    HD2  LYS  54           HD2      LYS  54  -3.830  -1.262 -25.264
  445    HD3  LYS  54           HD3      LYS  54  -5.287  -2.074 -25.855
  446    HE2  LYS  54           HE2      LYS  54  -6.533   0.083 -25.744
  447    HE3  LYS  54           HE3      LYS  54  -5.058   0.901 -25.213
  448    HZ1  LYS  54           HZ1      LYS  54  -5.395   1.145 -27.585
  449    HZ2  LYS  54           HZ2      LYS  54  -4.035   0.288 -27.326
  450    HZ3  LYS  54           HZ3      LYS  54  -5.400  -0.466 -27.819
  451    H    THR  55           H        THR  55  -2.939  -1.646 -21.248
  452    HA   THR  55           HA       THR  55  -3.500  -4.326 -20.209
  453    HB   THR  55           HB       THR  55  -0.895  -4.265 -20.299
  454    HG1  THR  55           HG1      THR  55  -0.124  -2.597 -21.708
  455   HG21  THR  55          HG21      THR  55  -2.431  -3.770 -22.895
  456   HG22  THR  55          HG22      THR  55  -0.852  -4.571 -22.733
  457   HG23  THR  55          HG23      THR  55  -2.298  -5.330 -22.054
  458    H    SER  56           H        SER  56  -1.716  -4.719 -18.263
  459    HA   SER  56           HA       SER  56  -2.469  -3.139 -15.995
  460    HB2  SER  56           HB2      SER  56  -0.222  -5.167 -16.296
  461    HB3  SER  56           HB3      SER  56  -0.982  -4.622 -14.787
  462    HG   SER  56           HG       SER  56  -1.817  -6.633 -15.530
  463    H    THR  57           H        THR  57  -1.815  -1.085 -17.275
  464    HA   THR  57           HA       THR  57   1.038  -0.352 -16.816
  465    HB   THR  57           HB       THR  57  -0.733   0.204 -19.240
  466    HG1  THR  57           HG1      THR  57   0.051  -1.568 -19.948
  467   HG21  THR  57          HG21      THR  57   1.358   1.066 -20.285
  468   HG22  THR  57          HG22      THR  57   0.850   2.059 -18.917
  469   HG23  THR  57          HG23      THR  57   2.197   0.911 -18.725
  470    H    ILE  58           H        ILE  58   1.384   1.760 -16.165
  471    HA   ILE  58           HA       ILE  58  -0.756   2.794 -14.531
  472    HB   ILE  58           HB       ILE  58   2.076   3.787 -14.980
  473   HG12  ILE  58          HG12      ILE  58   2.017   1.444 -14.084
  474   HG13  ILE  58          HG13      ILE  58   2.809   2.613 -13.052
  475   HG21  ILE  58          HG21      ILE  58   0.061   4.509 -12.817
  476   HG22  ILE  58          HG22      ILE  58   1.800   4.831 -12.668
  477   HG23  ILE  58          HG23      ILE  58   0.874   5.596 -13.956
  478   HD11  ILE  58          HD11      ILE  58   0.969   2.652 -11.496
  479   HD12  ILE  58          HD12      ILE  58  -0.066   1.735 -12.607
  480   HD13  ILE  58          HD13      ILE  58   1.343   0.962 -11.848
  481    H    GLU  59           H        GLU  59  -1.834   4.628 -14.679
  482    HA   GLU  59           HA       GLU  59  -1.078   6.827 -16.465
  483    HB2  GLU  59           HB2      GLU  59  -2.865   5.646 -17.728
  484    HB3  GLU  59           HB3      GLU  59  -3.906   5.651 -16.285
  485    HG2  GLU  59           HG2      GLU  59  -3.878   8.143 -16.296
  486    HG3  GLU  59           HG3      GLU  59  -2.777   8.120 -17.678
  487    H    GLU  60           H        GLU  60  -1.426   8.782 -15.166
  488    HA   GLU  60           HA       GLU  60  -2.386   8.161 -12.444
  489    HB2  GLU  60           HB2      GLU  60  -0.548   9.178 -11.432
  490    HB3  GLU  60           HB3      GLU  60  -0.038   7.869 -12.496
  491    HG2  GLU  60           HG2      GLU  60   0.609   9.499 -14.208
  492    HG3  GLU  60           HG3      GLU  60   0.036  10.817 -13.172
  493    H    LYS  61           H        LYS  61  -3.401   9.589 -11.227
  494    HA   LYS  61           HA       LYS  61  -3.982  12.295 -12.359
  495    HB2  LYS  61           HB2      LYS  61  -5.703  10.650 -13.069
  496    HB3  LYS  61           HB3      LYS  61  -5.942  10.156 -11.386
  497    HG2  LYS  61           HG2      LYS  61  -6.872  12.332 -10.811
  498    HG3  LYS  61           HG3      LYS  61  -6.403  13.001 -12.381
  499    HD2  LYS  61           HD2      LYS  61  -8.785  12.551 -12.371
  500    HD3  LYS  61           HD3      LYS  61  -7.976  11.493 -13.529
  501    HE2  LYS  61           HE2      LYS  61  -8.050   9.624 -11.866
  502    HE3  LYS  61           HE3      LYS  61  -8.858  10.688 -10.712
  503    HZ1  LYS  61           HZ1      LYS  61 -10.442   9.302 -11.915
  504    HZ2  LYS  61           HZ2      LYS  61 -10.714  10.870 -12.294
  505    HZ3  LYS  61           HZ3      LYS  61  -9.951   9.885 -13.353
  506    H    THR  62           H        THR  62  -4.030  13.855 -10.725
  507    HA   THR  62           HA       THR  62  -3.212  13.113  -8.053
  508    HB   THR  62           HB       THR  62  -4.252  15.791  -9.068
  509    HG1  THR  62           HG1      THR  62  -2.331  16.125  -9.983
  510   HG21  THR  62          HG21      THR  62  -2.612  16.681  -7.457
  511   HG22  THR  62          HG22      THR  62  -3.781  15.626  -6.638
  512   HG23  THR  62          HG23      THR  62  -2.147  15.021  -7.000
  513    H    VAL  63           H        VAL  63  -4.531  12.816  -6.219
  514    HA   VAL  63           HA       VAL  63  -7.376  13.557  -6.427
  515    HB   VAL  63           HB       VAL  63  -8.135  11.407  -5.756
  516   HG11  VAL  63          HG11      VAL  63  -7.802  10.043  -7.694
  517   HG12  VAL  63          HG12      VAL  63  -7.834  11.721  -8.235
  518   HG13  VAL  63          HG13      VAL  63  -6.292  10.866  -8.113
  519   HG21  VAL  63          HG21      VAL  63  -6.208  10.600  -4.410
  520   HG22  VAL  63          HG22      VAL  63  -6.715   9.406  -5.600
  521   HG23  VAL  63          HG23      VAL  63  -5.261  10.381  -5.896
  522    H    GLU  64           H        GLU  64  -8.441  13.586  -4.453
  523    HA   GLU  64           HA       GLU  64  -6.760  13.778  -1.994
  524    HB2  GLU  64           HB2      GLU  64  -8.154  15.772  -2.541
  525    HB3  GLU  64           HB3      GLU  64  -9.601  14.758  -2.572
  526    HG2  GLU  64           HG2      GLU  64  -9.312  14.195  -0.196
  527    HG3  GLU  64           HG3      GLU  64  -7.757  15.026  -0.153
  528    H    VAL  65           H        VAL  65  -6.890  11.976  -0.721
  529    HA   VAL  65           HA       VAL  65  -8.806   9.819  -1.334
  530    HB   VAL  65           HB       VAL  65  -6.435   9.945   0.598
  531   HG11  VAL  65          HG11      VAL  65  -6.749   7.417   0.594
  532   HG12  VAL  65          HG12      VAL  65  -8.015   8.322   1.420
  533   HG13  VAL  65          HG13      VAL  65  -8.307   7.688  -0.213
  534   HG21  VAL  65          HG21      VAL  65  -5.336   8.416  -1.051
  535   HG22  VAL  65          HG22      VAL  65  -6.679   8.696  -2.173
  536   HG23  VAL  65          HG23      VAL  65  -5.614  10.033  -1.696
  537    H    LEU  66           H        LEU  66 -10.718   9.925  -0.315
  538    HA   LEU  66           HA       LEU  66 -11.115  11.726   1.950
  539    HB2  LEU  66           HB2      LEU  66 -12.913   9.818   0.396
  540    HB3  LEU  66           HB3      LEU  66 -13.461  10.638   1.843
  541    HG   LEU  66           HG       LEU  66 -14.240  11.784  -0.123
  542   HD11  LEU  66          HD11      LEU  66 -13.716  13.107   1.931
  543   HD12  LEU  66          HD12      LEU  66 -12.135  13.526   1.226
  544   HD13  LEU  66          HD13      LEU  66 -13.630  14.049   0.434
  545   HD21  LEU  66          HD21      LEU  66 -11.359  12.434  -0.869
  546   HD22  LEU  66          HD22      LEU  66 -12.377  11.221  -1.683
  547   HD23  LEU  66          HD23      LEU  66 -12.835  12.932  -1.704
  548    H    GLY  67           H        GLY  67 -10.882   8.156   1.454
  549    HA2  GLY  67           HA2      GLY  67  -9.729   7.543   3.808
  550    HA3  GLY  67           HA3      GLY  67 -11.468   7.500   4.192
  551    H    MET  68           H        MET  68 -10.585   5.185   4.514
  552    HA   MET  68           HA       MET  68 -10.278   3.455   2.206
  553    HB2  MET  68           HB2      MET  68 -11.159   2.864   5.063
  554    HB3  MET  68           HB3      MET  68 -10.911   1.632   3.826
  555    HG2  MET  68           HG2      MET  68  -8.754   3.544   4.778
  556    HG3  MET  68           HG3      MET  68  -8.988   1.920   5.408
  557    HE1  MET  68           HE1      MET  68  -9.462  -0.023   3.000
  558    HE2  MET  68           HE2      MET  68  -7.785  -0.424   2.582
  559    HE3  MET  68           HE3      MET  68  -8.251  -0.272   4.287
  560    H    ALA  69           H        ALA  69 -11.798   2.109   1.256
  561    HA   ALA  69           HA       ALA  69 -14.471   3.163   0.910
  562    HB1  ALA  69           HB1      ALA  69 -13.266   0.489   0.100
  563    HB2  ALA  69           HB2      ALA  69 -14.698   1.243  -0.614
  564    HB3  ALA  69           HB3      ALA  69 -13.118   1.991  -0.857
  565    HA   PRO  70           HA       PRO  70 -16.807   0.793   3.917
  566    HB2  PRO  70           HB2      PRO  70 -18.185  -0.576   1.596
  567    HB3  PRO  70           HB3      PRO  70 -18.911   0.122   3.079
  568    HG2  PRO  70           HG2      PRO  70 -18.999   1.507   0.758
  569    HG3  PRO  70           HG3      PRO  70 -18.561   2.357   2.278
  570    HD2  PRO  70           HD2      PRO  70 -16.735   1.305   0.113
  571    HD3  PRO  70           HD3      PRO  70 -16.683   2.886   0.955
  572    H    ASP  71           H        ASP  71 -16.984  -1.304   4.869
  573    HA   ASP  71           HA       ASP  71 -14.911  -3.138   4.402
  574    HB2  ASP  71           HB2      ASP  71 -15.823  -4.433   6.078
  575    HB3  ASP  71           HB3      ASP  71 -16.347  -2.813   6.507
  576    H    ASP  72           H        ASP  72 -18.144  -2.954   2.973
  577    HA   ASP  72           HA       ASP  72 -18.322  -5.590   1.939
  578    HB2  ASP  72           HB2      ASP  72 -20.227  -4.044   2.047
  579    HB3  ASP  72           HB3      ASP  72 -19.453  -2.978   0.870
  580    H    GLU  73           H        GLU  73 -16.550  -2.768   0.811
  581    HA   GLU  73           HA       GLU  73 -15.815  -4.049  -1.764
  582    HB2  GLU  73           HB2      GLU  73 -14.995  -1.415  -0.462
  583    HB3  GLU  73           HB3      GLU  73 -14.386  -1.986  -2.010
  584    HG2  GLU  73           HG2      GLU  73 -17.342  -1.479  -1.460
  585    HG3  GLU  73           HG3      GLU  73 -16.237  -0.284  -2.119
  586    H    CYS  74           H        CYS  74 -14.444  -3.135   1.416
  587    HA   CYS  74           HA       CYS  74 -11.842  -4.006   0.731
  588    HB2  CYS  74           HB2      CYS  74 -12.960  -3.372   3.471
  589    HB3  CYS  74           HB3      CYS  74 -11.251  -3.558   3.039
  590    HG   CYS  74           HG       CYS  74 -13.477  -1.338   2.061
  591    H    LEU  75           H        LEU  75 -14.252  -6.033   0.967
  592    HA   LEU  75           HA       LEU  75 -12.922  -8.247   2.414
  593    HB2  LEU  75           HB2      LEU  75 -15.564  -7.830   0.987
  594    HB3  LEU  75           HB3      LEU  75 -14.989  -9.466   1.248
  595    HG   LEU  75           HG       LEU  75 -15.250  -7.509   3.553
  596   HD11  LEU  75          HD11      LEU  75 -17.429  -7.729   2.461
  597   HD12  LEU  75          HD12      LEU  75 -17.311  -9.502   2.529
  598   HD13  LEU  75          HD13      LEU  75 -17.425  -8.549   4.030
  599   HD21  LEU  75          HD21      LEU  75 -15.166 -10.556   3.441
  600   HD22  LEU  75          HD22      LEU  75 -13.830  -9.514   3.967
  601   HD23  LEU  75          HD23      LEU  75 -15.323  -9.565   4.907
  602    H    LYS  76           H        LYS  76 -12.777  -6.775  -0.672
  603    HA   LYS  76           HA       LYS  76 -12.107  -9.358  -2.046
  604    HB2  LYS  76           HB2      LYS  76 -13.225  -6.742  -3.115
  605    HB3  LYS  76           HB3      LYS  76 -12.827  -8.149  -4.101
  606    HG2  LYS  76           HG2      LYS  76 -14.529  -9.500  -3.040
  607    HG3  LYS  76           HG3      LYS  76 -14.888  -8.253  -1.843
  608    HD2  LYS  76           HD2      LYS  76 -15.313  -7.902  -4.838
  609    HD3  LYS  76           HD3      LYS  76 -16.562  -8.403  -3.684
  610    HE2  LYS  76           HE2      LYS  76 -16.212  -6.300  -2.389
  611    HE3  LYS  76           HE3      LYS  76 -15.016  -5.771  -3.577
  612    HZ1  LYS  76           HZ1      LYS  76 -17.125  -4.776  -4.031
  613    HZ2  LYS  76           HZ2      LYS  76 -16.791  -5.813  -5.253
  614    HZ3  LYS  76           HZ3      LYS  76 -17.890  -6.226  -4.109
  615    H    ASP  77           H        ASP  77 -11.117  -5.957  -1.585
  616    HA   ASP  77           HA       ASP  77  -8.340  -6.579  -2.015
  617    HB2  ASP  77           HB2      ASP  77  -9.449  -6.070  -4.398
  618    HB3  ASP  77           HB3      ASP  77  -9.397  -4.403  -3.835
  619    H    MET  78           H        MET  78  -7.196  -4.215  -1.643
  620    HA   MET  78           HA       MET  78  -8.761  -2.868   0.525
  621    HB2  MET  78           HB2      MET  78  -5.885  -2.544  -0.403
  622    HB3  MET  78           HB3      MET  78  -6.662  -1.525   0.813
  623    HG2  MET  78           HG2      MET  78  -6.249  -4.527   1.013
  624    HG3  MET  78           HG3      MET  78  -5.314  -3.292   1.839
  625    HE1  MET  78           HE1      MET  78  -9.042  -5.385   3.259
  626    HE2  MET  78           HE2      MET  78  -8.844  -5.060   1.533
  627    HE3  MET  78           HE3      MET  78  -7.605  -5.982   2.414
  628    H    TYR  79           H        TYR  79  -9.844  -0.992   0.089
  629    HA   TYR  79           HA       TYR  79  -9.318   0.410  -2.478
  630    HB2  TYR  79           HB2      TYR  79 -11.976  -0.550  -1.354
  631    HB3  TYR  79           HB3      TYR  79 -11.842   0.653  -2.619
  632    HD1  TYR  79           HD1      TYR  79 -10.858   0.013  -4.871
  633    HD2  TYR  79           HD2      TYR  79 -11.967  -2.874  -1.869
  634    HE1  TYR  79           HE1      TYR  79 -11.087  -1.719  -6.627
  635    HE2  TYR  79           HE2      TYR  79 -12.232  -4.598  -3.606
  636    HH   TYR  79           HH       TYR  79 -12.081  -5.094  -5.893
  637    H    VAL  80           H        VAL  80 -10.055   2.551  -2.503
  638    HA   VAL  80           HA       VAL  80 -10.618   3.873   0.095
  639    HB   VAL  80           HB       VAL  80  -8.941   5.647  -0.793
  640   HG11  VAL  80          HG11      VAL  80  -7.061   4.610   0.409
  641   HG12  VAL  80          HG12      VAL  80  -8.580   4.442   1.279
  642   HG13  VAL  80          HG13      VAL  80  -7.913   3.046   0.398
  643   HG21  VAL  80          HG21      VAL  80  -7.683   3.218  -2.148
  644   HG22  VAL  80          HG22      VAL  80  -8.457   4.574  -2.993
  645   HG23  VAL  80          HG23      VAL  80  -7.007   4.855  -2.017
  646    H    GLU  81           H        GLU  81 -11.804   5.722  -0.100
  647    HA   GLU  81           HA       GLU  81 -13.176   6.212  -2.690
  648    HB2  GLU  81           HB2      GLU  81 -13.570   7.334   0.125
  649    HB3  GLU  81           HB3      GLU  81 -14.420   7.923  -1.314
  650    HG2  GLU  81           HG2      GLU  81 -15.318   5.622  -1.704
  651    HG3  GLU  81           HG3      GLU  81 -14.551   5.086  -0.209
  652    H    VAL  82           H        VAL  82 -12.503   7.917  -3.952
  653    HA   VAL  82           HA       VAL  82 -10.577   9.860  -2.823
  654    HB   VAL  82           HB       VAL  82  -8.975   9.542  -4.548
  655   HG11  VAL  82          HG11      VAL  82  -8.026   7.393  -4.050
  656   HG12  VAL  82          HG12      VAL  82  -8.837   7.965  -2.584
  657   HG13  VAL  82          HG13      VAL  82  -9.601   6.726  -3.590
  658   HG21  VAL  82          HG21      VAL  82 -10.346   8.934  -6.482
  659   HG22  VAL  82          HG22      VAL  82  -9.068   7.744  -6.250
  660   HG23  VAL  82          HG23      VAL  82 -10.731   7.359  -5.750
  661    H    ALA  83           H        ALA  83 -10.568  11.879  -3.998
  662    HA   ALA  83           HA       ALA  83 -12.628  12.117  -6.134
  663    HB1  ALA  83           HB1      ALA  83 -12.184  14.049  -3.815
  664    HB2  ALA  83           HB2      ALA  83 -13.263  14.306  -5.201
  665    HB3  ALA  83           HB3      ALA  83 -13.615  13.007  -4.047
  666    H    ASP  84           H        ASP  84 -11.831  13.164  -7.907
  667    HA   ASP  84           HA       ASP  84  -8.953  13.445  -7.830
  668    HB2  ASP  84           HB2      ASP  84  -8.885  13.600 -10.103
  669    HB3  ASP  84           HB3      ASP  84 -10.211  12.490  -9.804
  670    H    ILE  85           H        ILE  85  -7.706  15.165  -8.382
  671    HA   ILE  85           HA       ILE  85  -8.907  17.863  -8.044
  672    HB   ILE  85           HB       ILE  85  -6.037  17.321  -7.335
  673   HG12  ILE  85          HG12      ILE  85  -8.275  16.890  -5.309
  674   HG13  ILE  85          HG13      ILE  85  -7.242  15.633  -5.987
  675   HG21  ILE  85          HG21      ILE  85  -7.125  19.622  -7.556
  676   HG22  ILE  85          HG22      ILE  85  -8.113  19.203  -6.138
  677   HG23  ILE  85          HG23      ILE  85  -6.343  19.318  -5.999
  678   HD11  ILE  85          HD11      ILE  85  -6.305  16.165  -3.875
  679   HD12  ILE  85          HD12      ILE  85  -5.225  16.835  -5.106
  680   HD13  ILE  85          HD13      ILE  85  -6.335  17.902  -4.209
  681    H    GLY  86           H        GLY  86  -8.676  16.418 -10.608
  682    HA2  GLY  86           HA2      GLY  86  -7.312  18.385 -12.118
  683    HA3  GLY  86           HA3      GLY  86  -6.185  17.054 -11.869
  684    H    GLY  87           H        GLY  87  -9.629  16.310 -12.270
  685    HA2  GLY  87           HA2      GLY  87  -9.292  15.708 -15.172
  686    HA3  GLY  87           HA3      GLY  87  -9.775  14.432 -14.042
  687    H    LYS  88           H        LYS  88 -11.620  15.475 -12.387
  688    HA   LYS  88           HA       LYS  88 -13.607  17.015 -14.010
  689    HB2  LYS  88           HB2      LYS  88 -14.138  14.686 -12.120
  690    HB3  LYS  88           HB3      LYS  88 -15.378  15.674 -12.871
  691    HG2  LYS  88           HG2      LYS  88 -13.419  13.901 -14.394
  692    HG3  LYS  88           HG3      LYS  88 -15.071  13.474 -13.952
  693    HD2  LYS  88           HD2      LYS  88 -15.943  15.366 -15.326
  694    HD3  LYS  88           HD3      LYS  88 -14.291  15.796 -15.769
  695    HE2  LYS  88           HE2      LYS  88 -15.196  14.566 -17.593
  696    HE3  LYS  88           HE3      LYS  88 -13.980  13.553 -16.811
  697    HZ1  LYS  88           HZ1      LYS  88 -16.915  13.298 -16.446
  698    HZ2  LYS  88           HZ2      LYS  88 -15.986  12.317 -17.352
  699    HZ3  LYS  88           HZ3      LYS  88 -15.795  12.337 -15.736
  700    H    ASP  89           H        ASP  89 -11.852  16.659 -11.066
  701    HA   ASP  89           HA       ASP  89 -11.572  17.843  -9.268
  702    HB2  ASP  89           HB2      ASP  89 -11.417  19.805 -10.596
  703    HB3  ASP  89           HB3      ASP  89 -13.172  20.014 -10.617
  704    H    ASP  90           H        ASP  90 -12.301  17.059  -7.519
  705    HA   ASP  90           HA       ASP  90 -13.447  16.685  -5.664
  706    HB2  ASP  90           HB2      ASP  90 -13.919  19.099  -5.757
  707    HB3  ASP  90           HB3      ASP  90 -15.438  18.771  -6.590
  708    H    ASP  91           H        ASP  91 -14.813  15.829  -8.609
  709    HA   ASP  91           HA       ASP  91 -17.156  14.411  -7.683
  710    HB2  ASP  91           HB2      ASP  91 -16.877  15.048 -10.061
  711    HB3  ASP  91           HB3      ASP  91 -15.406  14.070 -10.156
  712    H    VAL  92           H        VAL  92 -17.161  12.403  -6.837
  713    HA   VAL  92           HA       VAL  92 -14.579  11.300  -6.020
  714    HB   VAL  92           HB       VAL  92 -16.079  12.150  -4.335
  715   HG11  VAL  92          HG11      VAL  92 -18.173  11.025  -3.717
  716   HG12  VAL  92          HG12      VAL  92 -18.285  11.690  -5.347
  717   HG13  VAL  92          HG13      VAL  92 -18.031   9.946  -5.117
  718   HG21  VAL  92          HG21      VAL  92 -16.045  10.328  -2.748
  719   HG22  VAL  92          HG22      VAL  92 -15.783   9.147  -4.042
  720   HG23  VAL  92          HG23      VAL  92 -14.547  10.375  -3.676
  721    H    TYR  93           H        TYR  93 -14.118   9.228  -5.977
  722    HA   TYR  93           HA       TYR  93 -15.525   7.213  -7.640
  723    HB2  TYR  93           HB2      TYR  93 -12.526   7.705  -7.701
  724    HB3  TYR  93           HB3      TYR  93 -13.472   6.723  -8.795
  725    HD1  TYR  93           HD2      TYR  93 -12.544  10.192  -7.850
  726    HD2  TYR  93           HD1      TYR  93 -14.392   7.685 -10.835
  727    HE1  TYR  93           HE2      TYR  93 -12.431  12.046  -9.476
  728    HE2  TYR  93           HE1      TYR  93 -14.225   9.528 -12.486
  729    HH   TYR  93           HH       TYR  93 -12.710  12.710 -11.639
  730    H    THR  94           H        THR  94 -14.052   5.138  -7.393
  731    HA   THR  94           HA       THR  94 -12.897   4.886  -4.661
  732    HB   THR  94           HB       THR  94 -14.424   2.617  -5.970
  733    HG1  THR  94           HG1      THR  94 -15.886   4.286  -5.512
  734   HG21  THR  94          HG21      THR  94 -13.548   3.129  -3.094
  735   HG22  THR  94          HG22      THR  94 -14.426   1.699  -3.686
  736   HG23  THR  94          HG23      THR  94 -12.773   2.011  -4.240
  737    H    ALA  95           H        ALA  95 -10.911   4.007  -4.700
  738    HA   ALA  95           HA       ALA  95  -9.803   2.975  -7.276
  739    HB1  ALA  95           HB1      ALA  95  -8.545   4.924  -5.281
  740    HB2  ALA  95           HB2      ALA  95  -7.720   4.211  -6.675
  741    HB3  ALA  95           HB3      ALA  95  -9.091   5.316  -6.923
  742    H    LYS  96           H        LYS  96  -8.009   1.466  -6.915
  743    HA   LYS  96           HA       LYS  96  -8.252  -0.152  -4.479
  744    HB2  LYS  96           HB2      LYS  96  -6.324  -0.188  -6.846
  745    HB3  LYS  96           HB3      LYS  96  -6.277  -1.332  -5.503
  746    HG2  LYS  96           HG2      LYS  96  -8.346  -2.319  -6.061
  747    HG3  LYS  96           HG3      LYS  96  -8.783  -1.038  -7.202
  748    HD2  LYS  96           HD2      LYS  96  -6.302  -2.737  -7.614
  749    HD3  LYS  96           HD3      LYS  96  -7.892  -3.292  -8.158
  750    HE2  LYS  96           HE2      LYS  96  -8.118  -1.654  -9.782
  751    HE3  LYS  96           HE3      LYS  96  -7.071  -0.508  -8.939
  752    HZ1  LYS  96           HZ1      LYS  96  -6.034  -1.397 -10.923
  753    HZ2  LYS  96           HZ2      LYS  96  -5.170  -1.679  -9.585
  754    HZ3  LYS  96           HZ3      LYS  96  -6.031  -2.920 -10.293
  755    H    LEU  97           H        LEU  97  -6.870   0.039  -2.745
  756    HA   LEU  97           HA       LEU  97  -5.145   2.321  -2.401
  757    HB2  LEU  97           HB2      LEU  97  -6.165   0.934  -0.542
  758    HB3  LEU  97           HB3      LEU  97  -5.068  -0.376  -0.990
  759    HG   LEU  97           HG       LEU  97  -3.111   1.112  -0.446
  760   HD11  LEU  97          HD11      LEU  97  -4.075   3.346  -0.725
  761   HD12  LEU  97          HD12      LEU  97  -5.302   3.007   0.520
  762   HD13  LEU  97          HD13      LEU  97  -3.598   3.149   0.964
  763   HD21  LEU  97          HD21      LEU  97  -3.379   0.953   1.983
  764   HD22  LEU  97          HD22      LEU  97  -5.138   0.754   1.798
  765   HD23  LEU  97          HD23      LEU  97  -4.021  -0.489   1.186
  766    H    SER  98           H        SER  98  -4.790  -0.902  -3.773
  767    HA   SER  98           HA       SER  98  -2.020  -1.190  -4.057
  768    HB2  SER  98           HB2      SER  98  -4.187  -2.010  -6.030
  769    HB3  SER  98           HB3      SER  98  -2.672  -2.850  -5.700
  770    HG   SER  98           HG       SER  98  -4.624  -3.709  -4.620
  771    H    ASP  99           H        ASP  99  -4.092   1.156  -5.579
  772    HA   ASP  99           HA       ASP  99  -2.155   1.616  -7.809
  773    HB2  ASP  99           HB2      ASP  99  -5.184   1.888  -7.651
  774    HB3  ASP  99           HB3      ASP  99  -4.221   2.656  -8.899
  775    H    ILE 100           H        ILE 100  -2.570   2.715  -4.830
  776    HA   ILE 100           HA       ILE 100  -2.560   5.607  -5.582
  777    HB   ILE 100           HB       ILE 100  -3.830   4.068  -3.348
  778   HG12  ILE 100          HG12      ILE 100  -4.885   5.093  -5.503
  779   HG13  ILE 100          HG13      ILE 100  -5.739   5.182  -3.962
  780   HG21  ILE 100          HG21      ILE 100  -4.129   6.080  -1.946
  781   HG22  ILE 100          HG22      ILE 100  -2.464   5.504  -1.983
  782   HG23  ILE 100          HG23      ILE 100  -2.918   6.942  -2.922
  783   HD11  ILE 100          HD11      ILE 100  -5.869   7.231  -5.333
  784   HD12  ILE 100          HD12      ILE 100  -5.208   7.513  -3.717
  785   HD13  ILE 100          HD13      ILE 100  -4.119   7.464  -5.123
  786    H    GLU 101           H        GLU 101  -1.083   6.867  -4.801
  787    HA   GLU 101           HA       GLU 101   0.937   5.825  -2.903
  788    HB2  GLU 101           HB2      GLU 101   2.012   5.726  -5.106
  789    HB3  GLU 101           HB3      GLU 101   1.523   7.376  -5.462
  790    HG2  GLU 101           HG2      GLU 101   3.887   7.274  -4.768
  791    HG3  GLU 101           HG3      GLU 101   2.946   8.251  -3.658
  792    H    ALA 102           H        ALA 102   1.326   7.361  -1.268
  793    HA   ALA 102           HA       ALA 102  -0.669   9.543  -1.191
  794    HB1  ALA 102           HB1      ALA 102  -0.493   7.951   0.716
  795    HB2  ALA 102           HB2      ALA 102   1.185   8.480   0.978
  796    HB3  ALA 102           HB3      ALA 102  -0.168   9.627   1.168
  797    H    ILE 103           H        ILE 103  -0.106  11.701  -0.883
  798    HA   ILE 103           HA       ILE 103   2.736  12.431  -1.451
  799    HB   ILE 103           HB       ILE 103   0.119  13.790  -2.185
  800   HG12  ILE 103          HG12      ILE 103   2.199  12.612  -4.085
  801   HG13  ILE 103          HG13      ILE 103   0.777  11.722  -3.568
  802   HG21  ILE 103          HG21      ILE 103   1.897  15.459  -1.718
  803   HG22  ILE 103          HG22      ILE 103   2.975  14.629  -2.861
  804   HG23  ILE 103          HG23      ILE 103   1.492  15.434  -3.422
  805   HD11  ILE 103          HD11      ILE 103   0.775  14.297  -5.184
  806   HD12  ILE 103          HD12      ILE 103   0.264  12.686  -5.685
  807   HD13  ILE 103          HD13      ILE 103  -0.683  13.555  -4.476
  808    H    ASP 104           H        ASP 104   3.733  13.646  -0.023
  809    HA   ASP 104           HA       ASP 104   4.228  14.730   1.879
  810    HB2  ASP 104           HB2      ASP 104   3.584  16.473   0.269
  811    HB3  ASP 104           HB3      ASP 104   1.943  16.471   0.918
  812    H    VAL 105           H        VAL 105   2.797  12.516   2.596
  813    HA   VAL 105           HA       VAL 105   0.785  13.426   4.576
  814    HB   VAL 105           HB       VAL 105   0.261  11.763   2.697
  815   HG11  VAL 105          HG11      VAL 105   1.767   9.846   4.477
  816   HG12  VAL 105          HG12      VAL 105   0.618   9.362   3.253
  817   HG13  VAL 105          HG13      VAL 105   2.101  10.208   2.777
  818   HG21  VAL 105          HG21      VAL 105  -0.505  10.991   5.503
  819   HG22  VAL 105          HG22      VAL 105  -1.190  12.326   4.571
  820   HG23  VAL 105          HG23      VAL 105  -1.358  10.674   3.973
  821    H    ASP 106           H        ASP 106   0.725  11.878   6.610
  822    HA   ASP 106           HA       ASP 106   3.192  12.247   8.032
  823    HB2  ASP 106           HB2      ASP 106   0.852  12.130   9.061
  824    HB3  ASP 106           HB3      ASP 106   0.947  10.374   8.777
  825    H    ASP 107           H        ASP 107   4.212  10.431   9.157
  826    HA   ASP 107           HA       ASP 107   5.497   8.697   7.220
  827    HB2  ASP 107           HB2      ASP 107   6.733   9.583   9.130
  828    HB3  ASP 107           HB3      ASP 107   5.620   8.803  10.258
  829    H    ASP 108           H        ASP 108   3.018   8.218   9.809
  830    HA   ASP 108           HA       ASP 108   3.082   5.359   9.537
  831    HB2  ASP 108           HB2      ASP 108   2.116   7.026  11.439
  832    HB3  ASP 108           HB3      ASP 108   0.614   6.733  10.552
  833    H    THR 109           H        THR 109   1.099   7.948   8.046
  834    HA   THR 109           HA       THR 109  -0.791   6.140   6.809
  835    HB   THR 109           HB       THR 109  -0.046   9.016   6.087
  836    HG1  THR 109           HG1      THR 109  -0.872   8.752   8.249
  837   HG21  THR 109          HG21      THR 109  -2.327   9.150   5.167
  838   HG22  THR 109          HG22      THR 109  -1.374   7.938   4.283
  839   HG23  THR 109          HG23      THR 109  -2.592   7.462   5.501
  840    H    GLN 110           H        GLN 110   2.302   7.734   5.731
  841    HA   GLN 110           HA       GLN 110   2.157   6.613   3.114
  842    HB2  GLN 110           HB2      GLN 110   3.690   8.521   4.106
  843    HB3  GLN 110           HB3      GLN 110   4.802   7.207   4.467
  844    HG2  GLN 110           HG2      GLN 110   3.619   7.897   1.728
  845    HG3  GLN 110           HG3      GLN 110   5.234   8.334   2.271
  846   HE21  GLN 110          HE22      GLN 110   3.798   6.221   0.178
  847   HE22  GLN 110          HE21      GLN 110   4.742   4.783   0.478
  848    H    GLU 111           H        GLU 111   3.619   5.375   6.192
  849    HA   GLU 111           HA       GLU 111   4.770   3.051   5.092
  850    HB2  GLU 111           HB2      GLU 111   3.697   3.751   7.839
  851    HB3  GLU 111           HB3      GLU 111   4.273   2.123   7.511
  852    HG2  GLU 111           HG2      GLU 111   6.007   4.514   6.859
  853    HG3  GLU 111           HG3      GLU 111   5.908   3.869   8.501
  854    H    ALA 112           H        ALA 112   1.378   3.631   6.066
  855    HA   ALA 112           HA       ALA 112   0.516   0.923   5.779
  856    HB1  ALA 112           HB1      ALA 112  -1.726   1.850   5.561
  857    HB2  ALA 112           HB2      ALA 112  -0.843   2.765   6.801
  858    HB3  ALA 112           HB3      ALA 112  -1.066   3.451   5.186
  859    H    ILE 113           H        ILE 113   0.721   3.611   3.385
  860    HA   ILE 113           HA       ILE 113  -0.303   2.078   1.174
  861    HB   ILE 113           HB       ILE 113   1.276   4.649   1.442
  862   HG12  ILE 113          HG12      ILE 113  -0.776   5.372  -0.075
  863   HG13  ILE 113          HG13      ILE 113  -1.485   3.846   0.443
  864   HG21  ILE 113          HG21      ILE 113   2.251   3.676  -0.574
  865   HG22  ILE 113          HG22      ILE 113   0.611   3.367  -1.221
  866   HG23  ILE 113          HG23      ILE 113   1.189   5.027  -0.923
  867   HD11  ILE 113          HD11      ILE 113  -1.262   4.604   2.793
  868   HD12  ILE 113          HD12      ILE 113  -0.453   6.085   2.209
  869   HD13  ILE 113          HD13      ILE 113  -2.164   5.787   1.823
  870    H    ALA 114           H        ALA 114   3.060   2.790   2.252
  871    HA   ALA 114           HA       ALA 114   4.340   1.437   0.133
  872    HB1  ALA 114           HB1      ALA 114   6.325   1.448   1.611
  873    HB2  ALA 114           HB2      ALA 114   5.502   3.018   1.632
  874    HB3  ALA 114           HB3      ALA 114   5.307   1.894   2.995
  875    H    ASP 115           H        ASP 115   3.362   0.292   3.385
  876    HA   ASP 115           HA       ASP 115   4.485  -2.321   3.100
  877    HB2  ASP 115           HB2      ASP 115   3.801  -1.242   5.272
  878    HB3  ASP 115           HB3      ASP 115   2.115  -1.540   4.833
  879    H    TRP 116           H        TRP 116   1.314  -0.986   2.246
  880    HA   TRP 116           HA       TRP 116   0.133  -3.543   1.596
  881    HB2  TRP 116           HB2      TRP 116  -1.240  -1.552   2.067
  882    HB3  TRP 116           HB3      TRP 116  -0.588  -0.743   0.639
  883    HD1  TRP 116           HD1      TRP 116  -1.950  -1.051  -1.497
  884    HE1  TRP 116           HE1      TRP 116  -3.590  -2.774  -2.454
  885    HE3  TRP 116           HE3      TRP 116  -2.003  -4.378   2.406
  886    HZ2  TRP 116           HZ2      TRP 116  -4.806  -5.237  -1.609
  887    HZ3  TRP 116           HZ3      TRP 116  -3.363  -6.441   2.266
  888    HH2  TRP 116           HH2      TRP 116  -4.763  -6.891   0.260
  889    H    LEU 117           H        LEU 117   1.956  -1.068  -0.259
  890    HA   LEU 117           HA       LEU 117   1.721  -2.418  -2.780
  891    HB2  LEU 117           HB2      LEU 117   3.741  -0.407  -1.727
  892    HB3  LEU 117           HB3      LEU 117   3.755  -1.014  -3.378
  893    HG   LEU 117           HG       LEU 117   1.347   0.413  -2.155
  894   HD11  LEU 117          HD11      LEU 117   3.290   1.916  -2.210
  895   HD12  LEU 117          HD12      LEU 117   3.550   1.542  -3.929
  896   HD13  LEU 117          HD13      LEU 117   2.077   2.394  -3.405
  897   HD21  LEU 117          HD21      LEU 117   0.725  -0.974  -4.069
  898   HD22  LEU 117          HD22      LEU 117   0.671   0.729  -4.514
  899   HD23  LEU 117          HD23      LEU 117   2.040  -0.276  -5.040
  900    H    TYR 118           H        TYR 118   4.037  -2.795  -0.040
  901    HA   TYR 118           HA       TYR 118   5.748  -4.640  -1.394
  902    HB2  TYR 118           HB2      TYR 118   4.962  -4.795   1.537
  903    HB3  TYR 118           HB3      TYR 118   6.355  -5.509   0.774
  904    HD1  TYR 118           HD1      TYR 118   6.986  -2.729  -0.837
  905    HD2  TYR 118           HD2      TYR 118   6.321  -3.871   3.274
  906    HE1  TYR 118           HE1      TYR 118   8.291  -0.779  -0.076
  907    HE2  TYR 118           HE2      TYR 118   7.665  -1.968   4.041
  908    HH   TYR 118           HH       TYR 118   8.895  -0.070   3.396
  909    H    TRP 119           H        TRP 119   2.833  -5.259   0.678
  910    HA   TRP 119           HA       TRP 119   2.773  -8.049   0.334
  911    HB2  TRP 119           HB2      TRP 119   1.507  -7.056   2.049
  912    HB3  TRP 119           HB3      TRP 119   0.693  -5.949   0.954
  913    HD1  TRP 119           HD1      TRP 119  -1.226  -6.938  -0.630
  914    HE1  TRP 119           HE1      TRP 119  -2.844  -8.883  -0.342
  915    HE3  TRP 119           HE3      TRP 119   1.133  -9.409   3.195
  916    HZ2  TRP 119           HZ2      TRP 119  -3.170 -11.132   1.390
  917    HZ3  TRP 119           HZ3      TRP 119   0.034 -11.358   4.262
  918    HH2  TRP 119           HH2      TRP 119  -2.108 -12.250   3.367
  919    H    LEU 120           H        LEU 120   1.229  -5.501  -1.700
  920    HA   LEU 120           HA       LEU 120  -0.076  -7.165  -3.554
  921    HB2  LEU 120           HB2      LEU 120  -0.315  -4.697  -3.373
  922    HB3  LEU 120           HB3      LEU 120   1.351  -4.496  -3.897
  923    HG   LEU 120           HG       LEU 120   0.713  -5.594  -6.111
  924   HD11  LEU 120          HD11      LEU 120  -1.714  -5.512  -6.691
  925   HD12  LEU 120          HD12      LEU 120  -1.361  -6.717  -5.452
  926   HD13  LEU 120          HD13      LEU 120  -2.098  -5.164  -4.991
  927   HD21  LEU 120          HD21      LEU 120  -0.544  -2.971  -5.230
  928   HD22  LEU 120          HD22      LEU 120   1.059  -3.217  -5.934
  929   HD23  LEU 120          HD23      LEU 120  -0.380  -3.487  -6.927
  930    H    ALA 121           H        ALA 121   3.289  -5.833  -3.638
  931    HA   ALA 121           HA       ALA 121   4.017  -7.149  -6.058
  932    HB1  ALA 121           HB1      ALA 121   6.320  -6.478  -5.398
  933    HB2  ALA 121           HB2      ALA 121   5.156  -5.147  -5.246
  934    HB3  ALA 121           HB3      ALA 121   5.707  -6.011  -3.797
  935    H    ARG 122           H        ARG 122   3.881  -8.382  -2.732
  936    HA   ARG 122           HA       ARG 122   5.670 -10.629  -3.267
  937    HB2  ARG 122           HB2      ARG 122   3.589 -10.187  -1.077
  938    HB3  ARG 122           HB3      ARG 122   4.648 -11.593  -1.174
  939    HG2  ARG 122           HG2      ARG 122   6.648 -10.113  -1.035
  940    HG3  ARG 122           HG3      ARG 122   5.601  -8.718  -0.918
  941    HD2  ARG 122           HD2      ARG 122   6.224  -9.156   1.271
  942    HD3  ARG 122           HD3      ARG 122   4.567  -9.783   1.163
  943    HE   ARG 122           HE       ARG 122   6.650 -11.742   0.580
  944   HH11  ARG 122          HH11      ARG 122   5.184 -10.050   3.346
  945   HH12  ARG 122          HH12      ARG 122   5.448 -11.356   4.457
  946   HH21  ARG 122          HH21      ARG 122   7.036 -13.447   2.070
  947   HH22  ARG 122          HH22      ARG 122   6.722 -13.195   3.771
  948    H    GLY 123           H        GLY 123   2.488  -9.905  -4.344
  949    HA2  GLY 123           HA2      GLY 123   0.961 -11.225  -5.443
  950    HA3  GLY 123           HA3      GLY 123   2.091 -12.595  -5.383
  951    H    TYR 124           H        TYR 124   0.898 -10.610  -2.662
  952    HA   TYR 124           HA       TYR 124  -0.224 -10.964  -0.787
  953    HB2  TYR 124           HB2      TYR 124  -1.692 -12.511  -2.882
  954    HB3  TYR 124           HB3      TYR 124  -2.228 -12.686  -1.234
  955    HD1  TYR 124           HD1      TYR 124  -1.094  -9.674  -3.259
  956    HD2  TYR 124           HD2      TYR 124  -4.215 -11.578  -0.948
  957    HE1  TYR 124           HE1      TYR 124  -2.511  -7.711  -3.583
  958    HE2  TYR 124           HE2      TYR 124  -5.659  -9.619  -1.290
  959    HH   TYR 124           HH       TYR 124  -4.703  -6.825  -3.319
  960    H    LYS 125           H        LYS 125  -1.190 -12.632   0.784
  961    HA   LYS 125           HA       LYS 125   0.259 -15.233   0.754
  962    HB2  LYS 125           HB2      LYS 125  -0.192 -13.720   3.339
  963    HB3  LYS 125           HB3      LYS 125   0.723 -15.195   3.083
  964    HG2  LYS 125           HG2      LYS 125   2.430 -13.910   1.784
  965    HG3  LYS 125           HG3      LYS 125   1.497 -12.437   2.049
  966    HD2  LYS 125           HD2      LYS 125   3.163 -12.339   3.689
  967    HD3  LYS 125           HD3      LYS 125   1.727 -12.861   4.565
  968    HE2  LYS 125           HE2      LYS 125   2.563 -15.256   4.331
  969    HE3  LYS 125           HE3      LYS 125   4.049 -14.603   3.627
  970    HZ1  LYS 125           HZ1      LYS 125   3.047 -14.079   6.367
  971    HZ2  LYS 125           HZ2      LYS 125   4.345 -14.978   5.966
  972    HZ3  LYS 125           HZ3      LYS 125   4.378 -13.358   5.735
  973    H    PHE 126           H        PHE 126  -2.718 -13.730   0.661
  974    HA   PHE 126           HA       PHE 126  -4.032 -16.135   1.739
  975    HB2  PHE 126           HB2      PHE 126  -5.844 -15.043   2.608
  976    HB3  PHE 126           HB3      PHE 126  -4.478 -14.133   3.216
  977    HD1  PHE 126           HD2      PHE 126  -7.129 -14.075   0.532
  978    HD2  PHE 126           HD1      PHE 126  -4.591 -11.777   3.153
  979    HE1  PHE 126           HE2      PHE 126  -8.335 -12.008  -0.103
  980    HE2  PHE 126           HE1      PHE 126  -5.797  -9.715   2.513
  981    HZ   PHE 126           HZ       PHE 126  -7.673  -9.821   0.881
  Start of MODEL   14
    1    H1   MET   1           H1       MET   1  11.988 -13.422  -5.342
    2    H2   MET   1           H2       MET   1  11.190 -13.305  -3.908
    3    H3   MET   1           H3       MET   1  11.207 -14.728  -4.730
    4    HA   MET   1           HA       MET   1   9.947 -13.827  -6.499
    5    HB2  MET   1           HB2      MET   1   8.723 -14.834  -4.598
    6    HB3  MET   1           HB3      MET   1   8.567 -13.237  -3.851
    7    HG2  MET   1           HG2      MET   1   7.254 -12.431  -5.742
    8    HG3  MET   1           HG3      MET   1   7.531 -13.939  -6.625
    9    HE1  MET   1           HE1      MET   1   4.685 -12.493  -6.129
   10    HE2  MET   1           HE2      MET   1   4.916 -13.955  -7.118
   11    HE3  MET   1           HE3      MET   1   3.673 -13.927  -5.848
   12    H    ALA   2           H        ALA   2  10.376 -11.293  -3.956
   13    HA   ALA   2           HA       ALA   2   9.941  -9.240  -6.096
   14    HB1  ALA   2           HB1      ALA   2   8.831  -9.205  -3.255
   15    HB2  ALA   2           HB2      ALA   2   8.602  -7.956  -4.495
   16    HB3  ALA   2           HB3      ALA   2   7.895  -9.568  -4.723
   17    H    SER   3           H        SER   3  11.048  -7.325  -5.848
   18    HA   SER   3           HA       SER   3  13.576  -7.463  -4.543
   19    HB2  SER   3           HB2      SER   3  12.258  -5.074  -5.901
   20    HB3  SER   3           HB3      SER   3  13.994  -5.388  -5.735
   21    HG   SER   3           HG       SER   3  13.767  -7.146  -7.143
   22    H    VAL   4           H        VAL   4  11.104  -7.301  -2.799
   23    HA   VAL   4           HA       VAL   4  12.052  -5.149  -1.008
   24    HB   VAL   4           HB       VAL   4   9.978  -4.615  -2.535
   25   HG11  VAL   4          HG11      VAL   4   7.840  -5.053  -1.747
   26   HG12  VAL   4          HG12      VAL   4   8.674  -6.599  -1.963
   27   HG13  VAL   4          HG13      VAL   4   8.460  -5.904  -0.325
   28   HG21  VAL   4          HG21      VAL   4  10.915  -3.145  -0.769
   29   HG22  VAL   4          HG22      VAL   4   9.157  -3.054  -0.889
   30   HG23  VAL   4          HG23      VAL   4   9.904  -3.977   0.435
   31    H    GLU   5           H        GLU   5  11.950  -8.309  -1.317
   32    HA   GLU   5           HA       GLU   5  10.982  -9.098   1.330
   33    HB2  GLU   5           HB2      GLU   5  12.519 -10.543  -0.861
   34    HB3  GLU   5           HB3      GLU   5  12.040 -11.282   0.677
   35    HG2  GLU   5           HG2      GLU   5   9.666 -10.846   0.191
   36    HG3  GLU   5           HG3      GLU   5  10.103 -10.125  -1.361
   37    H    ARG   6           H        ARG   6  12.694  -6.897   1.563
   38    HA   ARG   6           HA       ARG   6  15.456  -7.529   1.672
   39    HB2  ARG   6           HB2      ARG   6  15.756  -5.354   2.659
   40    HB3  ARG   6           HB3      ARG   6  14.559  -5.274   1.386
   41    HG2  ARG   6           HG2      ARG   6  13.526  -3.950   2.929
   42    HG3  ARG   6           HG3      ARG   6  12.813  -5.494   3.399
   43    HD2  ARG   6           HD2      ARG   6  14.648  -5.690   5.149
   44    HD3  ARG   6           HD3      ARG   6  15.196  -4.078   4.678
   45    HE   ARG   6           HE       ARG   6  12.426  -3.975   5.310
   46   HH11  ARG   6          HH11      ARG   6  15.551  -4.428   6.937
   47   HH12  ARG   6          HH12      ARG   6  15.020  -3.801   8.450
   48   HH21  ARG   6          HH21      ARG   6  11.723  -3.105   7.336
   49   HH22  ARG   6          HH22      ARG   6  12.816  -2.977   8.659
   50    H    ASP   7           H        ASP   7  12.928  -7.882   4.101
   51    HA   ASP   7           HA       ASP   7  14.460  -9.733   5.620
   52    HB2  ASP   7           HB2      ASP   7  15.162  -7.330   6.482
   53    HB3  ASP   7           HB3      ASP   7  13.577  -7.324   7.234
   54    H    GLU   8           H        GLU   8  12.905 -10.306   7.599
   55    HA   GLU   8           HA       GLU   8  10.103 -10.385   6.571
   56    HB2  GLU   8           HB2      GLU   8   9.848 -12.459   7.777
   57    HB3  GLU   8           HB3      GLU   8  11.214 -12.564   6.673
   58    HG2  GLU   8           HG2      GLU   8  12.787 -12.215   8.562
   59    HG3  GLU   8           HG3      GLU   8  11.430 -12.069   9.680
   60    H    THR   9           H        THR   9  11.650  -8.314   8.355
   61    HA   THR   9           HA       THR   9  10.611  -8.285  10.983
   62    HB   THR   9           HB       THR   9  11.011  -5.751  10.501
   63    HG1  THR   9           HG1      THR   9  12.000  -5.276   8.596
   64   HG21  THR   9          HG21      THR   9  13.483  -6.016  10.450
   65   HG22  THR   9          HG22      THR   9  12.732  -7.137  11.602
   66   HG23  THR   9          HG23      THR   9  13.288  -7.728  10.022
   67    H    ARG  10           H        ARG  10   9.421  -6.828   7.920
   68    HA   ARG  10           HA       ARG  10   7.044  -5.758   9.135
   69    HB2  ARG  10           HB2      ARG  10   7.753  -6.286   6.220
   70    HB3  ARG  10           HB3      ARG  10   6.193  -5.622   6.730
   71    HG2  ARG  10           HG2      ARG  10   7.352  -3.758   7.906
   72    HG3  ARG  10           HG3      ARG  10   8.911  -4.368   7.324
   73    HD2  ARG  10           HD2      ARG  10   8.192  -4.024   4.993
   74    HD3  ARG  10           HD3      ARG  10   6.606  -3.486   5.525
   75    HE   ARG  10           HE       ARG  10   9.131  -2.009   5.560
   76   HH11  ARG  10          HH21      ARG  10   5.725  -1.965   6.724
   77   HH12  ARG  10          HH22      ARG  10   5.859  -0.271   7.209
   78   HH21  ARG  10          HH11      ARG  10   9.118   0.241   6.133
   79   HH22  ARG  10          HH12      ARG  10   7.662   0.973   6.745
   80    H    GLU  11           H        GLU  11   7.656  -8.922   7.510
   81    HA   GLU  11           HA       GLU  11   4.898  -9.735   7.622
   82    HB2  GLU  11           HB2      GLU  11   7.478 -11.330   7.428
   83    HB3  GLU  11           HB3      GLU  11   5.868 -12.067   7.482
   84    HG2  GLU  11           HG2      GLU  11   5.203 -10.611   5.524
   85    HG3  GLU  11           HG3      GLU  11   6.887 -10.092   5.417
   86    H    HIS  12           H        HIS  12   7.605 -10.024   9.945
   87    HA   HIS  12           HA       HIS  12   6.215 -11.602  11.848
   88    HB2  HIS  12           HB2      HIS  12   8.681 -11.082  11.776
   89    HB3  HIS  12           HB3      HIS  12   8.326  -9.478  12.411
   90    HD1  HIS  12           HD1      HIS  12   6.062 -11.030  14.537
   91    HD2  HIS  12           HD2      HIS  12  10.215 -11.456  13.991
   92    HE1  HIS  12           HE1      HIS  12   6.980 -11.994  16.716
   93    H    ARG  13           H        ARG  13   6.322  -8.002  11.447
   94    HA   ARG  13           HA       ARG  13   4.564  -7.571  13.720
   95    HB2  ARG  13           HB2      ARG  13   5.160  -5.728  11.363
   96    HB3  ARG  13           HB3      ARG  13   4.287  -5.287  12.824
   97    HG2  ARG  13           HG2      ARG  13   7.229  -5.900  12.521
   98    HG3  ARG  13           HG3      ARG  13   6.466  -4.440  13.124
   99    HD2  ARG  13           HD2      ARG  13   6.701  -7.130  14.517
  100    HD3  ARG  13           HD3      ARG  13   7.506  -5.622  14.959
  101    HE   ARG  13           HE       ARG  13   4.853  -4.953  15.135
  102   HH11  ARG  13          HH11      ARG  13   6.799  -7.546  16.590
  103   HH12  ARG  13          HH12      ARG  13   5.783  -7.719  17.971
  104   HH21  ARG  13          HH21      ARG  13   3.525  -5.155  16.941
  105   HH22  ARG  13          HH22      ARG  13   3.881  -6.309  18.198
  106    H    ILE  14           H        ILE  14   3.949  -7.918  10.194
  107    HA   ILE  14           HA       ILE  14   1.168  -7.435  10.260
  108    HB   ILE  14           HB       ILE  14   2.956  -9.202   8.570
  109   HG12  ILE  14          HG12      ILE  14   1.409  -6.727   7.739
  110   HG13  ILE  14          HG13      ILE  14   2.981  -6.595   8.495
  111   HG21  ILE  14          HG21      ILE  14   1.108  -9.515   6.964
  112   HG22  ILE  14          HG22      ILE  14   0.799 -10.310   8.496
  113   HG23  ILE  14          HG23      ILE  14  -0.020  -8.772   8.123
  114   HD11  ILE  14          HD11      ILE  14   3.248  -6.455   6.105
  115   HD12  ILE  14          HD12      ILE  14   3.967  -7.974   6.649
  116   HD13  ILE  14          HD13      ILE  14   2.378  -7.977   5.857
  117    H    GLU  15           H        GLU  15   2.956 -10.524  10.754
  118    HA   GLU  15           HA       GLU  15   0.749 -12.144  11.293
  119    HB2  GLU  15           HB2      GLU  15   3.016 -12.951  10.795
  120    HB3  GLU  15           HB3      GLU  15   3.613 -12.286  12.311
  121    HG2  GLU  15           HG2      GLU  15   3.314 -14.675  12.524
  122    HG3  GLU  15           HG3      GLU  15   2.221 -13.816  13.600
  123    H    THR  16           H        THR  16   2.706 -10.192  13.619
  124    HA   THR  16           HA       THR  16   1.130 -11.314  15.824
  125    HB   THR  16           HB       THR  16   2.750  -9.995  17.226
  126    HG1  THR  16           HG1      THR  16   4.128  -9.614  14.767
  127   HG21  THR  16          HG21      THR  16   3.964 -11.937  15.209
  128   HG22  THR  16          HG22      THR  16   4.638 -11.487  16.798
  129   HG23  THR  16          HG23      THR  16   3.110 -12.370  16.702
  130    H    GLU  17           H        GLU  17   0.867  -8.475  13.915
  131    HA   GLU  17           HA       GLU  17  -0.748  -7.147  16.039
  132    HB2  GLU  17           HB2      GLU  17   1.663  -6.358  15.281
  133    HB3  GLU  17           HB3      GLU  17   0.782  -5.626  13.935
  134    HG2  GLU  17           HG2      GLU  17  -0.628  -4.391  15.599
  135    HG3  GLU  17           HG3      GLU  17   0.283  -5.146  16.907
  136    H    ILE  18           H        ILE  18  -0.917  -8.316  12.751
  137    HA   ILE  18           HA       ILE  18  -3.347  -6.624  12.304
  138    HB   ILE  18           HB       ILE  18  -1.488  -7.713  10.167
  139   HG12  ILE  18          HG12      ILE  18  -1.589  -4.959  11.468
  140   HG13  ILE  18          HG13      ILE  18  -0.229  -6.073  11.448
  141   HG21  ILE  18          HG21      ILE  18  -2.729  -6.265   8.651
  142   HG22  ILE  18          HG22      ILE  18  -3.874  -7.296   9.484
  143   HG23  ILE  18          HG23      ILE  18  -3.688  -5.616  10.001
  144   HD11  ILE  18          HD11      ILE  18   0.292  -4.397   9.867
  145   HD12  ILE  18          HD12      ILE  18  -0.182  -5.823   8.919
  146   HD13  ILE  18          HD13      ILE  18  -1.311  -4.470   9.115
  147    H    ILE  19           H        ILE  19  -1.907  -9.896  11.651
  148    HA   ILE  19           HA       ILE  19  -4.691 -10.896  11.276
  149    HB   ILE  19           HB       ILE  19  -3.770 -12.347   9.562
  150   HG12  ILE  19          HG12      ILE  19  -1.242 -10.660   9.670
  151   HG13  ILE  19          HG13      ILE  19  -1.376 -12.193  10.550
  152   HG21  ILE  19          HG21      ILE  19  -4.821 -10.104   9.052
  153   HG22  ILE  19          HG22      ILE  19  -3.181  -9.433   8.922
  154   HG23  ILE  19          HG23      ILE  19  -3.712 -10.704   7.817
  155   HD11  ILE  19          HD11      ILE  19  -0.349 -12.594   8.421
  156   HD12  ILE  19          HD12      ILE  19  -1.977 -13.328   8.457
  157   HD13  ILE  19          HD13      ILE  19  -1.703 -11.802   7.572
  158    H    VAL  20           H        VAL  20  -2.874 -11.046  13.747
  159    HA   VAL  20           HA       VAL  20  -1.764 -13.452  14.162
  160    HB   VAL  20           HB       VAL  20  -1.797 -11.496  15.689
  161   HG11  VAL  20          HG11      VAL  20  -4.253 -11.137  15.847
  162   HG12  VAL  20          HG12      VAL  20  -4.403 -12.650  16.770
  163   HG13  VAL  20          HG13      VAL  20  -3.486 -11.283  17.435
  164   HG21  VAL  20          HG21      VAL  20  -0.801 -13.644  16.383
  165   HG22  VAL  20          HG22      VAL  20  -1.482 -12.751  17.754
  166   HG23  VAL  20          HG23      VAL  20  -2.360 -14.143  17.080
  167    H    ASP  21           H        ASP  21  -5.307 -13.016  14.340
  168    HA   ASP  21           HA       ASP  21  -5.593 -15.921  14.931
  169    HB2  ASP  21           HB2      ASP  21  -6.543 -14.326  16.556
  170    HB3  ASP  21           HB3      ASP  21  -7.553 -13.633  15.287
  171    H    ALA  22           H        ALA  22  -5.351 -14.058  12.329
  172    HA   ALA  22           HA       ALA  22  -7.829 -14.824  10.916
  173    HB1  ALA  22           HB1      ALA  22  -7.562 -12.420  11.128
  174    HB2  ALA  22           HB2      ALA  22  -5.933 -12.524  10.410
  175    HB3  ALA  22           HB3      ALA  22  -7.343 -12.955   9.445
  176    H    GLU  23           H        GLU  23  -7.676 -16.143   9.417
  177    HA   GLU  23           HA       GLU  23  -5.460 -16.296   7.517
  178    HB2  GLU  23           HB2      GLU  23  -4.678 -18.337   7.819
  179    HB3  GLU  23           HB3      GLU  23  -4.901 -17.786   9.478
  180    HG2  GLU  23           HG2      GLU  23  -6.799 -19.663   8.032
  181    HG3  GLU  23           HG3      GLU  23  -5.414 -20.202   8.966
  182    H    ASP  24           H        ASP  24  -8.724 -16.932   8.418
  183    HA   ASP  24           HA       ASP  24  -9.496 -18.273   5.937
  184    HB2  ASP  24           HB2      ASP  24 -11.151 -16.821   8.039
  185    HB3  ASP  24           HB3      ASP  24 -11.765 -17.791   6.715
  186    H    LYS  25           H        LYS  25 -10.213 -17.019   4.122
  187    HA   LYS  25           HA       LYS  25  -8.692 -14.706   3.750
  188    HB2  LYS  25           HB2      LYS  25  -9.771 -14.431   1.613
  189    HB3  LYS  25           HB3      LYS  25  -9.401 -16.127   1.934
  190    HG2  LYS  25           HG2      LYS  25 -11.821 -16.453   2.625
  191    HG3  LYS  25           HG3      LYS  25 -12.124 -14.767   2.197
  192    HD2  LYS  25           HD2      LYS  25 -12.861 -16.198   0.394
  193    HD3  LYS  25           HD3      LYS  25 -11.484 -15.222  -0.146
  194    HE2  LYS  25           HE2      LYS  25  -9.967 -17.151   0.222
  195    HE3  LYS  25           HE3      LYS  25 -11.322 -18.118   0.817
  196    HZ1  LYS  25           HZ1      LYS  25 -11.074 -17.047  -1.938
  197    HZ2  LYS  25           HZ2      LYS  25 -10.840 -18.598  -1.500
  198    HZ3  LYS  25           HZ3      LYS  25 -12.326 -17.944  -1.388
  199    H    GLU  26           H        GLU  26 -12.056 -14.864   4.847
  200    HA   GLU  26           HA       GLU  26 -12.607 -12.058   4.417
  201    HB2  GLU  26           HB2      GLU  26 -13.910 -14.138   6.234
  202    HB3  GLU  26           HB3      GLU  26 -14.530 -12.503   5.963
  203    HG2  GLU  26           HG2      GLU  26 -14.746 -12.983   3.533
  204    HG3  GLU  26           HG3      GLU  26 -14.172 -14.629   3.804
  205    H    GLU  27           H        GLU  27 -11.196 -14.014   7.100
  206    HA   GLU  27           HA       GLU  27 -11.283 -11.868   9.038
  207    HB2  GLU  27           HB2      GLU  27  -9.396 -14.231   8.864
  208    HB3  GLU  27           HB3      GLU  27  -9.721 -13.233  10.285
  209    HG2  GLU  27           HG2      GLU  27 -11.971 -14.082  10.467
  210    HG3  GLU  27           HG3      GLU  27 -11.800 -15.000   8.962
  211    H    ARG  28           H        ARG  28  -8.808 -13.231   6.741
  212    HA   ARG  28           HA       ARG  28  -6.766 -11.385   7.588
  213    HB2  ARG  28           HB2      ARG  28  -7.165 -12.979   5.032
  214    HB3  ARG  28           HB3      ARG  28  -5.865 -11.782   5.177
  215    HG2  ARG  28           HG2      ARG  28  -5.056 -12.878   7.247
  216    HG3  ARG  28           HG3      ARG  28  -6.289 -14.129   7.072
  217    HD2  ARG  28           HD2      ARG  28  -4.200 -13.537   4.931
  218    HD3  ARG  28           HD3      ARG  28  -3.900 -14.649   6.270
  219    HE   ARG  28           HE       ARG  28  -6.245 -15.613   5.270
  220   HH11  ARG  28          HH11      ARG  28  -3.105 -14.961   3.732
  221   HH12  ARG  28          HH12      ARG  28  -3.196 -16.335   2.695
  222   HH21  ARG  28          HH21      ARG  28  -6.258 -17.476   4.085
  223   HH22  ARG  28          HH22      ARG  28  -5.117 -17.759   2.807
  224    H    ALA  29           H        ALA  29  -9.233 -11.080   4.974
  225    HA   ALA  29           HA       ALA  29  -8.479  -8.528   4.121
  226    HB1  ALA  29           HB1      ALA  29 -11.292  -9.695   4.325
  227    HB2  ALA  29           HB2      ALA  29 -10.763  -8.364   3.270
  228    HB3  ALA  29           HB3      ALA  29 -10.147 -10.004   3.006
  229    H    MET  30           H        MET  30 -10.811  -9.380   6.784
  230    HA   MET  30           HA       MET  30 -11.290  -6.637   7.449
  231    HB2  MET  30           HB2      MET  30 -11.703  -9.194   9.017
  232    HB3  MET  30           HB3      MET  30 -12.188  -7.599   9.595
  233    HG2  MET  30           HG2      MET  30 -13.192  -8.910   7.038
  234    HG3  MET  30           HG3      MET  30 -14.044  -8.816   8.566
  235    HE1  MET  30           HE1      MET  30 -14.011  -5.762   5.214
  236    HE2  MET  30           HE2      MET  30 -12.390  -5.952   5.885
  237    HE3  MET  30           HE3      MET  30 -13.251  -7.365   5.259
  238    H    GLY  31           H        GLY  31  -8.853  -8.938   8.748
  239    HA2  GLY  31           HA2      GLY  31  -7.922  -7.311  10.864
  240    HA3  GLY  31           HA3      GLY  31  -6.974  -8.524   9.976
  241    H    TRP  32           H        TRP  32  -6.808  -7.548   7.429
  242    HA   TRP  32           HA       TRP  32  -4.916  -5.433   7.558
  243    HB2  TRP  32           HB2      TRP  32  -6.479  -6.754   5.320
  244    HB3  TRP  32           HB3      TRP  32  -5.524  -5.310   5.016
  245    HD1  TRP  32           HD1      TRP  32  -5.098  -8.993   5.372
  246    HE1  TRP  32           HE1      TRP  32  -2.630  -9.630   5.183
  247    HE3  TRP  32           HE3      TRP  32  -3.100  -4.328   5.624
  248    HZ2  TRP  32           HZ2      TRP  32  -0.057  -8.246   5.389
  249    HZ3  TRP  32           HZ3      TRP  32  -0.635  -3.989   5.590
  250    HH2  TRP  32           HH2      TRP  32   0.883  -5.939   5.460
  251    H    TYR  33           H        TYR  33  -8.405  -5.383   6.605
  252    HA   TYR  33           HA       TYR  33  -8.488  -2.680   5.861
  253    HB2  TYR  33           HB2      TYR  33 -10.235  -4.168   5.223
  254    HB3  TYR  33           HB3      TYR  33 -10.527  -4.657   6.882
  255    HD1  TYR  33           HD2      TYR  33 -10.406  -1.254   5.227
  256    HD2  TYR  33           HD1      TYR  33 -12.656  -4.113   7.536
  257    HE1  TYR  33           HE2      TYR  33 -12.252   0.370   5.431
  258    HE2  TYR  33           HE1      TYR  33 -14.480  -2.477   7.800
  259    HH   TYR  33           HH       TYR  33 -14.376   0.781   6.275
  260    H    TYR  34           H        TYR  34  -9.236  -4.139   9.107
  261    HA   TYR  34           HA       TYR  34 -10.077  -1.661  10.252
  262    HB2  TYR  34           HB2      TYR  34  -8.939  -4.153  11.575
  263    HB3  TYR  34           HB3      TYR  34  -9.779  -2.853  12.399
  264    HD1  TYR  34           HD2      TYR  34 -11.895  -2.953   9.706
  265    HD2  TYR  34           HD1      TYR  34 -10.526  -5.566  12.868
  266    HE1  TYR  34           HE2      TYR  34 -14.025  -4.182   9.616
  267    HE2  TYR  34           HE1      TYR  34 -12.656  -6.820  12.755
  268    HH   TYR  34           HH       TYR  34 -15.291  -5.941  10.472
  269    H    TYR  35           H        TYR  35  -6.893  -3.379  10.221
  270    HA   TYR  35           HA       TYR  35  -5.638  -1.478  11.981
  271    HB2  TYR  35           HB2      TYR  35  -4.913  -3.853  11.559
  272    HB3  TYR  35           HB3      TYR  35  -4.435  -3.392   9.928
  273    HD1  TYR  35           HD1      TYR  35  -2.415  -2.012   9.542
  274    HD2  TYR  35           HD2      TYR  35  -3.620  -3.171  13.521
  275    HE1  TYR  35           HE1      TYR  35  -0.166  -1.426  10.387
  276    HE2  TYR  35           HE2      TYR  35  -1.382  -2.586  14.374
  277    HH   TYR  35           HH       TYR  35   0.774  -1.952  13.830
  278    H    LEU  36           H        LEU  36  -5.834  -1.752   8.375
  279    HA   LEU  36           HA       LEU  36  -4.027   0.406   7.872
  280    HB2  LEU  36           HB2      LEU  36  -6.069  -1.114   6.266
  281    HB3  LEU  36           HB3      LEU  36  -5.602   0.468   5.691
  282    HG   LEU  36           HG       LEU  36  -3.405  -0.055   5.307
  283   HD11  LEU  36          HD11      LEU  36  -2.631  -1.133   7.313
  284   HD12  LEU  36          HD12      LEU  36  -3.635  -2.565   6.999
  285   HD13  LEU  36          HD13      LEU  36  -2.252  -2.161   5.947
  286   HD21  LEU  36          HD21      LEU  36  -4.887  -2.654   4.710
  287   HD22  LEU  36          HD22      LEU  36  -5.046  -1.165   3.766
  288   HD23  LEU  36          HD23      LEU  36  -3.486  -2.004   3.830
  289    H    ASP  37           H        ASP  37  -7.676   0.315   8.170
  290    HA   ASP  37           HA       ASP  37  -7.959   3.143   7.845
  291    HB2  ASP  37           HB2      ASP  37 -10.019   1.837   8.113
  292    HB3  ASP  37           HB3      ASP  37  -9.516   1.270   9.696
  293    H    ASP  38           H        ASP  38  -7.227   1.148  10.825
  294    HA   ASP  38           HA       ASP  38  -7.526   3.521  12.144
  295    HB2  ASP  38           HB2      ASP  38  -7.744   1.373  13.313
  296    HB3  ASP  38           HB3      ASP  38  -5.980   1.387  13.523
  297    H    THR  39           H        THR  39  -4.811   2.411  10.446
  298    HA   THR  39           HA       THR  39  -2.812   4.013  11.908
  299    HB   THR  39           HB       THR  39  -2.701   2.402   9.316
  300    HG1  THR  39           HG1      THR  39  -3.132   1.032  10.960
  301   HG21  THR  39          HG21      THR  39  -0.480   3.452  11.125
  302   HG22  THR  39          HG22      THR  39  -0.265   2.420   9.682
  303   HG23  THR  39          HG23      THR  39  -0.932   4.053   9.515
  304    H    LEU  40           H        LEU  40  -4.613   4.075   8.799
  305    HA   LEU  40           HA       LEU  40  -3.593   6.545   7.802
  306    HB2  LEU  40           HB2      LEU  40  -6.325   5.262   7.447
  307    HB3  LEU  40           HB3      LEU  40  -5.677   6.563   6.454
  308    HG   LEU  40           HG       LEU  40  -4.299   3.864   6.625
  309   HD11  LEU  40          HD11      LEU  40  -6.646   3.505   5.895
  310   HD12  LEU  40          HD12      LEU  40  -6.437   4.720   4.613
  311   HD13  LEU  40          HD13      LEU  40  -5.510   3.202   4.581
  312   HD21  LEU  40          HD21      LEU  40  -3.462   4.436   4.388
  313   HD22  LEU  40          HD22      LEU  40  -4.228   6.030   4.501
  314   HD23  LEU  40          HD23      LEU  40  -2.920   5.565   5.624
  315    H    GLU  41           H        GLU  41  -4.204   8.631   8.204
  316    HA   GLU  41           HA       GLU  41  -6.579   9.181   9.929
  317    HB2  GLU  41           HB2      GLU  41  -3.849  10.516   9.885
  318    HB3  GLU  41           HB3      GLU  41  -5.264  11.213  10.684
  319    HG2  GLU  41           HG2      GLU  41  -4.129   8.464  11.341
  320    HG3  GLU  41           HG3      GLU  41  -3.710   9.938  12.197
  321    H    PHE  42           H        PHE  42  -7.178   8.775   7.498
  322    HA   PHE  42           HA       PHE  42  -6.980  10.901   5.630
  323    HB2  PHE  42           HB2      PHE  42  -8.989   9.716   4.605
  324    HB3  PHE  42           HB3      PHE  42  -7.566   8.751   4.852
  325    HD1  PHE  42           HD2      PHE  42 -10.817   9.603   6.577
  326    HD2  PHE  42           HD1      PHE  42  -7.843   6.606   5.681
  327    HE1  PHE  42           HE2      PHE  42 -12.242   7.871   7.623
  328    HE2  PHE  42           HE1      PHE  42  -9.267   4.881   6.752
  329    HZ   PHE  42           HZ       PHE  42 -11.482   5.509   7.700
  330    HA   PRO  43           HA       PRO  43  -9.033  11.653   3.956
  331    HB2  PRO  43           HB2      PRO  43  -9.414  14.239   3.180
  332    HB3  PRO  43           HB3      PRO  43 -10.745  13.127   3.614
  333    HG2  PRO  43           HG2      PRO  43  -9.406  15.195   5.382
  334    HG3  PRO  43           HG3      PRO  43 -11.161  14.923   5.127
  335    HD2  PRO  43           HD2      PRO  43  -9.853  13.871   7.267
  336    HD3  PRO  43           HD3      PRO  43 -11.137  12.950   6.433
  337    H    PHE  44           H        PHE  44  -7.396  12.194   2.426
  338    HA   PHE  44           HA       PHE  44  -5.283  14.072   3.134
  339    HB2  PHE  44           HB2      PHE  44  -3.462  12.514   3.005
  340    HB3  PHE  44           HB3      PHE  44  -4.519  12.035   4.315
  341    HD1  PHE  44           HD1      PHE  44  -3.179  11.135   1.014
  342    HD2  PHE  44           HD2      PHE  44  -5.720   9.872   4.223
  343    HE1  PHE  44           HE1      PHE  44  -3.270   8.877   0.022
  344    HE2  PHE  44           HE2      PHE  44  -5.808   7.583   3.254
  345    HZ   PHE  44           HZ       PHE  44  -4.591   7.083   1.146
  346    H    MET  45           H        MET  45  -3.736  14.288   1.211
  347    HA   MET  45           HA       MET  45  -5.261  13.962  -1.318
  348    HB2  MET  45           HB2      MET  45  -4.280  16.177  -0.691
  349    HB3  MET  45           HB3      MET  45  -2.672  15.436  -0.621
  350    HG2  MET  45           HG2      MET  45  -2.920  14.823  -3.048
  351    HG3  MET  45           HG3      MET  45  -4.447  15.707  -3.073
  352    HE1  MET  45           HE1      MET  45  -3.526  17.097  -5.150
  353    HE2  MET  45           HE2      MET  45  -1.883  17.779  -5.198
  354    HE3  MET  45           HE3      MET  45  -2.120  16.019  -5.035
  355    H    GLY  46           H        GLY  46  -4.437  12.621  -3.063
  356    HA2  GLY  46           HA2      GLY  46  -1.740  11.540  -2.784
  357    HA3  GLY  46           HA3      GLY  46  -3.038  10.334  -2.722
  358    H    LYS  47           H        LYS  47  -1.225  10.158  -4.654
  359    HA   LYS  47           HA       LYS  47  -2.574  11.143  -7.120
  360    HB2  LYS  47           HB2      LYS  47   0.063  11.239  -6.773
  361    HB3  LYS  47           HB3      LYS  47  -0.003   9.503  -7.003
  362    HG2  LYS  47           HG2      LYS  47   0.443  10.355  -9.158
  363    HG3  LYS  47           HG3      LYS  47  -1.269   9.972  -9.198
  364    HD2  LYS  47           HD2      LYS  47  -0.990  12.108 -10.262
  365    HD3  LYS  47           HD3      LYS  47  -1.796  12.391  -8.734
  366    HE2  LYS  47           HE2      LYS  47  -0.116  14.096  -9.259
  367    HE3  LYS  47           HE3      LYS  47   0.218  13.285  -7.731
  368    HZ1  LYS  47           HZ1      LYS  47   2.166  13.637  -9.257
  369    HZ2  LYS  47           HZ2      LYS  47   1.996  12.104  -8.736
  370    HZ3  LYS  47           HZ3      LYS  47   1.561  12.485 -10.261
  371    H    TRP  48           H        TRP  48  -3.934   9.728  -8.093
  372    HA   TRP  48           HA       TRP  48  -4.017   6.890  -7.214
  373    HB2  TRP  48           HB2      TRP  48  -6.164   8.135  -7.433
  374    HB3  TRP  48           HB3      TRP  48  -5.801   8.470  -9.113
  375    HD1  TRP  48           HD1      TRP  48  -4.783   5.010  -8.565
  376    HE1  TRP  48           HE1      TRP  48  -6.542   3.337  -9.285
  377    HE3  TRP  48           HE3      TRP  48  -8.783   8.183  -8.908
  378    HZ2  TRP  48           HZ2      TRP  48  -9.374   3.351  -9.949
  379    HZ3  TRP  48           HZ3      TRP  48 -11.021   7.306  -9.512
  380    HH2  TRP  48           HH2      TRP  48 -11.326   4.896 -10.042
  381    H    LYS  49           H        LYS  49  -2.320   5.851  -8.180
  382    HA   LYS  49           HA       LYS  49  -1.394   6.596 -10.895
  383    HB2  LYS  49           HB2      LYS  49  -0.231   4.967  -8.585
  384    HB3  LYS  49           HB3      LYS  49   0.483   4.984 -10.203
  385    HG2  LYS  49           HG2      LYS  49   0.907   7.345 -10.119
  386    HG3  LYS  49           HG3      LYS  49  -0.035   7.545  -8.643
  387    HD2  LYS  49           HD2      LYS  49   2.357   7.678  -8.211
  388    HD3  LYS  49           HD3      LYS  49   1.605   6.337  -7.337
  389    HE2  LYS  49           HE2      LYS  49   2.514   4.706  -8.842
  390    HE3  LYS  49           HE3      LYS  49   3.035   5.945  -9.996
  391    HZ1  LYS  49           HZ1      LYS  49   4.131   5.774  -7.242
  392    HZ2  LYS  49           HZ2      LYS  49   4.826   5.034  -8.538
  393    HZ3  LYS  49           HZ3      LYS  49   4.703   6.658  -8.490
  394    H    LYS  50           H        LYS  50  -3.653   5.822 -11.437
  395    HA   LYS  50           HA       LYS  50  -4.551   3.209 -10.889
  396    HB2  LYS  50           HB2      LYS  50  -5.951   5.139 -11.737
  397    HB3  LYS  50           HB3      LYS  50  -5.246   4.869 -13.339
  398    HG2  LYS  50           HG2      LYS  50  -6.042   2.436 -13.119
  399    HG3  LYS  50           HG3      LYS  50  -6.964   2.933 -11.707
  400    HD2  LYS  50           HD2      LYS  50  -8.339   4.393 -13.013
  401    HD3  LYS  50           HD3      LYS  50  -7.253   4.310 -14.409
  402    HE2  LYS  50           HE2      LYS  50  -8.897   1.978 -13.314
  403    HE3  LYS  50           HE3      LYS  50  -9.298   2.951 -14.734
  404    HZ1  LYS  50           HZ1      LYS  50  -8.213   1.008 -15.501
  405    HZ2  LYS  50           HZ2      LYS  50  -7.100   2.219 -15.660
  406    HZ3  LYS  50           HZ3      LYS  50  -6.956   1.150 -14.453
  407    H    LYS  51           H        LYS  51  -3.732   1.248 -11.506
  408    HA   LYS  51           HA       LYS  51  -1.996   0.862 -13.772
  409    HB2  LYS  51           HB2      LYS  51  -3.747  -1.103 -12.218
  410    HB3  LYS  51           HB3      LYS  51  -2.430  -1.550 -13.305
  411    HG2  LYS  51           HG2      LYS  51  -0.790  -0.438 -11.825
  412    HG3  LYS  51           HG3      LYS  51  -2.090   0.097 -10.753
  413    HD2  LYS  51           HD2      LYS  51  -2.703  -2.405 -10.515
  414    HD3  LYS  51           HD3      LYS  51  -1.115  -2.741 -11.206
  415    HE2  LYS  51           HE2      LYS  51  -1.709  -1.091  -8.693
  416    HE3  LYS  51           HE3      LYS  51  -1.175  -2.771  -8.704
  417    HZ1  LYS  51           HZ1      LYS  51   0.426  -0.482  -9.694
  418    HZ2  LYS  51           HZ2      LYS  51   0.660  -1.285  -8.298
  419    HZ3  LYS  51           HZ3      LYS  51   0.909  -2.050  -9.716
  420    H    SER  52           H        SER  52  -2.591   0.811 -15.893
  421    HA   SER  52           HA       SER  52  -5.402   0.272 -16.691
  422    HB2  SER  52           HB2      SER  52  -3.738   2.749 -17.339
  423    HB3  SER  52           HB3      SER  52  -5.394   2.430 -17.881
  424    HG   SER  52           HG       SER  52  -4.428   3.135 -15.351
  425    H    ARG  53           H        ARG  53  -5.280   0.958 -19.286
  426    HA   ARG  53           HA       ARG  53  -4.706   0.392 -21.362
  427    HB2  ARG  53           HB2      ARG  53  -2.667   1.683 -20.561
  428    HB3  ARG  53           HB3      ARG  53  -1.863   0.134 -20.340
  429    HG2  ARG  53           HG2      ARG  53  -2.127  -0.302 -22.803
  430    HG3  ARG  53           HG3      ARG  53  -2.889   1.289 -22.971
  431    HD2  ARG  53           HD2      ARG  53  -0.843   2.380 -22.198
  432    HD3  ARG  53           HD3      ARG  53  -0.106   0.827 -21.802
  433    HE   ARG  53           HE       ARG  53  -0.313   2.077 -24.410
  434   HH11  ARG  53          HH11      ARG  53   0.089  -1.071 -22.755
  435   HH12  ARG  53          HH12      ARG  53   0.940  -1.785 -24.080
  436   HH21  ARG  53          HH21      ARG  53   0.788   1.080 -26.159
  437   HH22  ARG  53          HH22      ARG  53   1.320  -0.553 -26.054
  438    H    LYS  54           H        LYS  54  -4.966  -1.859 -19.114
  439    HA   LYS  54           HA       LYS  54  -4.807  -4.073 -18.869
  440    HB2  LYS  54           HB2      LYS  54  -6.274  -3.840 -21.018
  441    HB3  LYS  54           HB3      LYS  54  -4.847  -4.424 -21.869
  442    HG2  LYS  54           HG2      LYS  54  -4.990  -6.338 -19.923
  443    HG3  LYS  54           HG3      LYS  54  -6.654  -5.803 -19.875
  444    HD2  LYS  54           HD2      LYS  54  -6.425  -7.737 -21.337
  445    HD3  LYS  54           HD3      LYS  54  -6.928  -6.331 -22.270
  446    HE2  LYS  54           HE2      LYS  54  -5.240  -7.702 -23.452
  447    HE3  LYS  54           HE3      LYS  54  -4.695  -6.047 -23.193
  448    HZ1  LYS  54           HZ1      LYS  54  -3.873  -8.357 -21.529
  449    HZ2  LYS  54           HZ2      LYS  54  -2.974  -7.687 -22.710
  450    HZ3  LYS  54           HZ3      LYS  54  -3.317  -6.814 -21.373
  451    H    THR  55           H        THR  55  -2.305  -2.462 -19.225
  452    HA   THR  55           HA       THR  55  -0.484  -4.786 -19.397
  453    HB   THR  55           HB       THR  55   1.207  -3.123 -20.447
  454    HG1  THR  55           HG1      THR  55   0.105  -1.198 -20.391
  455   HG21  THR  55          HG21      THR  55   0.147  -5.067 -21.631
  456   HG22  THR  55          HG22      THR  55  -1.132  -3.970 -22.199
  457   HG23  THR  55          HG23      THR  55   0.557  -3.710 -22.684
  458    H    SER  56           H        SER  56  -1.920  -3.089 -17.280
  459    HA   SER  56           HA       SER  56  -1.600  -2.042 -15.358
  460    HB2  SER  56           HB2      SER  56   1.004  -3.603 -15.233
  461    HB3  SER  56           HB3      SER  56   0.092  -2.942 -13.865
  462    HG   SER  56           HG       SER  56  -0.321  -5.184 -14.242
  463    H    THR  57           H        THR  57  -0.677  -0.597 -17.725
  464    HA   THR  57           HA       THR  57   1.711   0.894 -17.039
  465    HB   THR  57           HB       THR  57  -0.549   1.558 -18.975
  466    HG1  THR  57           HG1      THR  57   1.735  -0.090 -19.352
  467   HG21  THR  57          HG21      THR  57   1.240   2.623 -20.311
  468   HG22  THR  57          HG22      THR  57   1.079   3.381 -18.719
  469   HG23  THR  57          HG23      THR  57   2.420   2.256 -19.033
  470    H    ILE  58           H        ILE  58   1.763   2.770 -15.761
  471    HA   ILE  58           HA       ILE  58  -0.599   3.302 -14.164
  472    HB   ILE  58           HB       ILE  58   2.270   4.194 -14.188
  473   HG12  ILE  58          HG12      ILE  58   2.225   3.492 -11.879
  474   HG13  ILE  58          HG13      ILE  58   0.464   3.408 -11.870
  475   HG21  ILE  58          HG21      ILE  58   1.220   6.369 -13.914
  476   HG22  ILE  58          HG22      ILE  58   0.108   5.729 -12.685
  477   HG23  ILE  58          HG23      ILE  58   1.852   5.835 -12.361
  478   HD11  ILE  58          HD11      ILE  58   2.223   1.553 -13.498
  479   HD12  ILE  58          HD12      ILE  58   1.544   1.187 -11.897
  480   HD13  ILE  58          HD13      ILE  58   0.452   1.454 -13.265
  481    H    GLU  59           H        GLU  59  -2.089   4.759 -14.423
  482    HA   GLU  59           HA       GLU  59  -1.686   7.093 -16.246
  483    HB2  GLU  59           HB2      GLU  59  -4.140   5.393 -15.652
  484    HB3  GLU  59           HB3      GLU  59  -4.269   7.030 -16.285
  485    HG2  GLU  59           HG2      GLU  59  -2.678   4.834 -17.680
  486    HG3  GLU  59           HG3      GLU  59  -4.377   5.164 -17.997
  487    H    GLU  60           H        GLU  60  -1.109   8.669 -14.855
  488    HA   GLU  60           HA       GLU  60  -1.814   8.668 -12.048
  489    HB2  GLU  60           HB2      GLU  60  -0.489  10.675 -13.926
  490    HB3  GLU  60           HB3      GLU  60  -0.810  11.023 -12.228
  491    HG2  GLU  60           HG2      GLU  60   0.571   9.115 -11.533
  492    HG3  GLU  60           HG3      GLU  60   0.909   8.722 -13.224
  493    H    LYS  61           H        LYS  61  -3.451   9.716 -11.000
  494    HA   LYS  61           HA       LYS  61  -4.800  12.025 -12.307
  495    HB2  LYS  61           HB2      LYS  61  -6.184   9.640 -10.983
  496    HB3  LYS  61           HB3      LYS  61  -6.962  11.202 -11.272
  497    HG2  LYS  61           HG2      LYS  61  -6.530  10.952 -13.712
  498    HG3  LYS  61           HG3      LYS  61  -5.860   9.339 -13.425
  499    HD2  LYS  61           HD2      LYS  61  -8.706  10.199 -12.756
  500    HD3  LYS  61           HD3      LYS  61  -8.218   9.315 -14.211
  501    HE2  LYS  61           HE2      LYS  61  -7.357   7.453 -12.789
  502    HE3  LYS  61           HE3      LYS  61  -7.894   8.318 -11.344
  503    HZ1  LYS  61           HZ1      LYS  61 -10.176   8.187 -12.223
  504    HZ2  LYS  61           HZ2      LYS  61  -9.660   7.311 -13.503
  505    HZ3  LYS  61           HZ3      LYS  61  -9.538   6.706 -11.985
  506    H    THR  62           H        THR  62  -5.383  13.577 -10.632
  507    HA   THR  62           HA       THR  62  -3.870  13.094  -8.096
  508    HB   THR  62           HB       THR  62  -4.797  15.740  -9.275
  509    HG1  THR  62           HG1      THR  62  -3.320  14.829 -10.699
  510   HG21  THR  62          HG21      THR  62  -3.044  16.659  -7.806
  511   HG22  THR  62          HG22      THR  62  -4.253  15.766  -6.870
  512   HG23  THR  62          HG23      THR  62  -2.671  15.025  -7.204
  513    H    VAL  63           H        VAL  63  -5.073  12.778  -6.227
  514    HA   VAL  63           HA       VAL  63  -7.946  13.479  -6.373
  515    HB   VAL  63           HB       VAL  63  -8.583  11.282  -5.652
  516   HG11  VAL  63          HG11      VAL  63  -8.390  11.694  -8.117
  517   HG12  VAL  63          HG12      VAL  63  -6.796  10.916  -8.088
  518   HG13  VAL  63          HG13      VAL  63  -8.246  10.000  -7.643
  519   HG21  VAL  63          HG21      VAL  63  -7.083   9.370  -5.549
  520   HG22  VAL  63          HG22      VAL  63  -5.681  10.388  -5.933
  521   HG23  VAL  63          HG23      VAL  63  -6.545  10.589  -4.394
  522    H    GLU  64           H        GLU  64  -9.038  13.484  -4.444
  523    HA   GLU  64           HA       GLU  64  -7.405  13.792  -1.954
  524    HB2  GLU  64           HB2      GLU  64  -8.796  15.761  -2.588
  525    HB3  GLU  64           HB3      GLU  64 -10.240  14.743  -2.584
  526    HG2  GLU  64           HG2      GLU  64  -9.943  14.274  -0.183
  527    HG3  GLU  64           HG3      GLU  64  -8.398  15.122  -0.180
  528    H    VAL  65           H        VAL  65  -7.480  12.003  -0.690
  529    HA   VAL  65           HA       VAL  65  -9.357   9.807  -1.279
  530    HB   VAL  65           HB       VAL  65  -6.986  10.005   0.650
  531   HG11  VAL  65          HG11      VAL  65  -8.518   8.316   1.442
  532   HG12  VAL  65          HG12      VAL  65  -8.761   7.689  -0.202
  533   HG13  VAL  65          HG13      VAL  65  -7.203   7.472   0.626
  534   HG21  VAL  65          HG21      VAL  65  -5.839   8.523  -1.021
  535   HG22  VAL  65          HG22      VAL  65  -7.181   8.798  -2.144
  536   HG23  VAL  65          HG23      VAL  65  -6.150  10.148  -1.629
  537    H    LEU  66           H        LEU  66 -11.276   9.834  -0.221
  538    HA   LEU  66           HA       LEU  66 -11.665  11.646   2.039
  539    HB2  LEU  66           HB2      LEU  66 -13.581   9.616   0.809
  540    HB3  LEU  66           HB3      LEU  66 -13.973  10.820   2.017
  541    HG   LEU  66           HG       LEU  66 -14.809  11.749   0.097
  542   HD11  LEU  66          HD11      LEU  66 -12.031  13.005   0.159
  543   HD12  LEU  66          HD12      LEU  66 -13.532  13.740  -0.428
  544   HD13  LEU  66          HD13      LEU  66 -13.349  13.384   1.297
  545   HD21  LEU  66          HD21      LEU  66 -13.801  11.840  -2.075
  546   HD22  LEU  66          HD22      LEU  66 -12.286  11.153  -1.481
  547   HD23  LEU  66          HD23      LEU  66 -13.767  10.165  -1.509
  548    H    GLY  67           H        GLY  67 -11.390   8.084   1.573
  549    HA2  GLY  67           HA2      GLY  67 -10.256   7.474   3.946
  550    HA3  GLY  67           HA3      GLY  67 -12.002   7.414   4.295
  551    H    MET  68           H        MET  68 -10.941   5.091   4.587
  552    HA   MET  68           HA       MET  68 -10.674   3.461   2.201
  553    HB2  MET  68           HB2      MET  68 -11.213   2.664   5.078
  554    HB3  MET  68           HB3      MET  68 -10.996   1.539   3.725
  555    HG2  MET  68           HG2      MET  68  -8.763   2.680   3.257
  556    HG3  MET  68           HG3      MET  68  -8.966   3.516   4.795
  557    HE1  MET  68           HE1      MET  68  -7.959  -0.935   4.132
  558    HE2  MET  68           HE2      MET  68  -9.385  -0.202   3.363
  559    HE3  MET  68           HE3      MET  68  -7.755   0.381   2.954
  560    H    ALA  69           H        ALA  69 -12.136   2.002   1.338
  561    HA   ALA  69           HA       ALA  69 -14.922   2.779   1.213
  562    HB1  ALA  69           HB1      ALA  69 -15.104   0.741  -0.182
  563    HB2  ALA  69           HB2      ALA  69 -13.661   1.654  -0.645
  564    HB3  ALA  69           HB3      ALA  69 -13.525   0.201   0.382
  565    HA   PRO  70           HA       PRO  70 -16.404   0.408   4.698
  566    HB2  PRO  70           HB2      PRO  70 -18.788  -0.680   3.840
  567    HB3  PRO  70           HB3      PRO  70 -18.559   1.055   4.211
  568    HG2  PRO  70           HG2      PRO  70 -18.420  -0.302   1.500
  569    HG3  PRO  70           HG3      PRO  70 -19.337   1.173   1.954
  570    HD2  PRO  70           HD2      PRO  70 -16.923   1.340   0.759
  571    HD3  PRO  70           HD3      PRO  70 -17.352   2.470   2.071
  572    H    ASP  71           H        ASP  71 -16.932  -1.792   5.440
  573    HA   ASP  71           HA       ASP  71 -15.216  -3.801   4.563
  574    HB2  ASP  71           HB2      ASP  71 -16.232  -5.209   6.104
  575    HB3  ASP  71           HB3      ASP  71 -16.428  -3.607   6.802
  576    H    ASP  72           H        ASP  72 -18.391  -2.981   3.322
  577    HA   ASP  72           HA       ASP  72 -19.146  -5.384   2.063
  578    HB2  ASP  72           HB2      ASP  72 -20.604  -3.416   2.325
  579    HB3  ASP  72           HB3      ASP  72 -19.601  -2.505   1.193
  580    H    GLU  73           H        GLU  73 -16.594  -3.146   1.215
  581    HA   GLU  73           HA       GLU  73 -16.045  -4.716  -1.280
  582    HB2  GLU  73           HB2      GLU  73 -15.436  -1.790  -0.689
  583    HB3  GLU  73           HB3      GLU  73 -14.847  -2.699  -2.089
  584    HG2  GLU  73           HG2      GLU  73 -17.212  -3.165  -2.760
  585    HG3  GLU  73           HG3      GLU  73 -17.773  -2.157  -1.425
  586    H    CYS  74           H        CYS  74 -14.714  -3.178   1.689
  587    HA   CYS  74           HA       CYS  74 -12.064  -4.053   1.163
  588    HB2  CYS  74           HB2      CYS  74 -13.411  -3.006   3.658
  589    HB3  CYS  74           HB3      CYS  74 -11.699  -3.470   3.606
  590    HG   CYS  74           HG       CYS  74 -12.684  -0.761   3.152
  591    H    LEU  75           H        LEU  75 -14.510  -6.060   1.618
  592    HA   LEU  75           HA       LEU  75 -13.137  -8.134   3.207
  593    HB2  LEU  75           HB2      LEU  75 -15.765  -7.871   1.731
  594    HB3  LEU  75           HB3      LEU  75 -15.133  -9.484   2.004
  595    HG   LEU  75           HG       LEU  75 -15.471  -7.528   4.300
  596   HD11  LEU  75          HD11      LEU  75 -17.610  -8.645   4.768
  597   HD12  LEU  75          HD12      LEU  75 -17.634  -7.837   3.193
  598   HD13  LEU  75          HD13      LEU  75 -17.452  -9.604   3.274
  599   HD21  LEU  75          HD21      LEU  75 -15.454  -9.569   5.666
  600   HD22  LEU  75          HD22      LEU  75 -15.301 -10.575   4.210
  601   HD23  LEU  75          HD23      LEU  75 -13.978  -9.502   4.699
  602    H    LYS  76           H        LYS  76 -13.110  -6.928  -0.051
  603    HA   LYS  76           HA       LYS  76 -12.237  -9.578  -1.119
  604    HB2  LYS  76           HB2      LYS  76 -13.336  -7.136  -2.561
  605    HB3  LYS  76           HB3      LYS  76 -12.897  -8.670  -3.307
  606    HG2  LYS  76           HG2      LYS  76 -15.125  -8.262  -1.265
  607    HG3  LYS  76           HG3      LYS  76 -15.324  -8.427  -3.010
  608    HD2  LYS  76           HD2      LYS  76 -14.354 -10.748  -2.870
  609    HD3  LYS  76           HD3      LYS  76 -14.237 -10.560  -1.117
  610    HE2  LYS  76           HE2      LYS  76 -16.213 -11.810  -1.540
  611    HE3  LYS  76           HE3      LYS  76 -16.702 -10.207  -0.988
  612    HZ1  LYS  76           HZ1      LYS  76 -17.164  -9.634  -3.311
  613    HZ2  LYS  76           HZ2      LYS  76 -16.685 -11.117  -3.814
  614    HZ3  LYS  76           HZ3      LYS  76 -18.008 -10.957  -2.880
  615    H    ASP  77           H        ASP  77 -11.380  -6.096  -0.966
  616    HA   ASP  77           HA       ASP  77  -8.572  -6.707  -1.158
  617    HB2  ASP  77           HB2      ASP  77  -9.273  -6.762  -3.611
  618    HB3  ASP  77           HB3      ASP  77  -9.778  -5.084  -3.439
  619    H    MET  78           H        MET  78  -7.355  -4.477  -1.004
  620    HA   MET  78           HA       MET  78  -8.874  -2.819   0.922
  621    HB2  MET  78           HB2      MET  78  -6.020  -2.601  -0.117
  622    HB3  MET  78           HB3      MET  78  -6.734  -1.572   1.130
  623    HG2  MET  78           HG2      MET  78  -6.302  -4.577   1.317
  624    HG3  MET  78           HG3      MET  78  -5.355  -3.325   2.098
  625    HE1  MET  78           HE1      MET  78  -7.864  -5.945   2.579
  626    HE2  MET  78           HE2      MET  78  -9.108  -5.330   3.679
  627    HE3  MET  78           HE3      MET  78  -9.124  -4.840   1.981
  628    H    TYR  79           H        TYR  79 -10.032  -1.058   0.358
  629    HA   TYR  79           HA       TYR  79  -9.481   0.324  -2.226
  630    HB2  TYR  79           HB2      TYR  79 -12.130  -0.650  -1.094
  631    HB3  TYR  79           HB3      TYR  79 -12.009   0.516  -2.394
  632    HD1  TYR  79           HD1      TYR  79 -10.806  -0.209  -4.580
  633    HD2  TYR  79           HD2      TYR  79 -12.288  -2.942  -1.593
  634    HE1  TYR  79           HE1      TYR  79 -10.958  -1.995  -6.292
  635    HE2  TYR  79           HE2      TYR  79 -12.469  -4.719  -3.286
  636    HH   TYR  79           HH       TYR  79 -12.156  -5.298  -5.534
  637    H    VAL  80           H        VAL  80 -10.316   2.463  -2.329
  638    HA   VAL  80           HA       VAL  80 -10.963   3.838   0.210
  639    HB   VAL  80           HB       VAL  80  -9.269   5.610  -0.643
  640   HG11  VAL  80          HG11      VAL  80  -8.956   4.524   1.475
  641   HG12  VAL  80          HG12      VAL  80  -8.282   3.067   0.697
  642   HG13  VAL  80          HG13      VAL  80  -7.409   4.618   0.650
  643   HG21  VAL  80          HG21      VAL  80  -7.925   3.167  -1.883
  644   HG22  VAL  80          HG22      VAL  80  -8.670   4.502  -2.788
  645   HG23  VAL  80          HG23      VAL  80  -7.266   4.811  -1.755
  646    H    GLU  81           H        GLU  81 -12.178   5.667  -0.073
  647    HA   GLU  81           HA       GLU  81 -13.475   6.047  -2.705
  648    HB2  GLU  81           HB2      GLU  81 -13.956   7.277   0.052
  649    HB3  GLU  81           HB3      GLU  81 -14.845   7.701  -1.419
  650    HG2  GLU  81           HG2      GLU  81 -15.568   5.309  -1.637
  651    HG3  GLU  81           HG3      GLU  81 -14.779   4.949  -0.100
  652    H    VAL  82           H        VAL  82 -12.932   7.811  -3.977
  653    HA   VAL  82           HA       VAL  82 -11.026   9.804  -2.894
  654    HB   VAL  82           HB       VAL  82  -9.481   9.504  -4.677
  655   HG11  VAL  82          HG11      VAL  82  -8.451   7.416  -4.142
  656   HG12  VAL  82          HG12      VAL  82  -9.245   8.000  -2.671
  657   HG13  VAL  82          HG13      VAL  82  -9.987   6.704  -3.621
  658   HG21  VAL  82          HG21      VAL  82 -10.900   8.812  -6.544
  659   HG22  VAL  82          HG22      VAL  82  -9.586   7.660  -6.322
  660   HG23  VAL  82          HG23      VAL  82 -11.220   7.247  -5.758
  661    H    ALA  83           H        ALA  83 -11.062  11.824  -4.020
  662    HA   ALA  83           HA       ALA  83 -13.246  12.146  -6.048
  663    HB1  ALA  83           HB1      ALA  83 -12.345  14.057  -3.846
  664    HB2  ALA  83           HB2      ALA  83 -13.510  14.438  -5.133
  665    HB3  ALA  83           HB3      ALA  83 -13.902  13.196  -3.933
  666    H    ASP  84           H        ASP  84 -12.618  13.144  -7.916
  667    HA   ASP  84           HA       ASP  84  -9.764  13.319  -8.406
  668    HB2  ASP  84           HB2      ASP  84 -11.203  12.442 -10.156
  669    HB3  ASP  84           HB3      ASP  84 -12.195  13.909 -10.142
  670    H    ILE  85           H        ILE  85  -8.606  15.007  -7.723
  671    HA   ILE  85           HA       ILE  85  -9.717  17.708  -7.469
  672    HB   ILE  85           HB       ILE  85  -6.823  16.816  -7.336
  673   HG12  ILE  85          HG12      ILE  85  -8.685  17.138  -4.935
  674   HG13  ILE  85          HG13      ILE  85  -8.248  15.585  -5.625
  675   HG21  ILE  85          HG21      ILE  85  -8.209  19.227  -6.080
  676   HG22  ILE  85          HG22      ILE  85  -6.470  18.878  -6.038
  677   HG23  ILE  85          HG23      ILE  85  -7.224  19.291  -7.560
  678   HD11  ILE  85          HD11      ILE  85  -6.815  15.980  -3.730
  679   HD12  ILE  85          HD12      ILE  85  -5.837  16.059  -5.204
  680   HD13  ILE  85          HD13      ILE  85  -6.307  17.544  -4.340
  681    H    GLY  86           H        GLY  86  -7.979  15.699  -9.802
  682    HA2  GLY  86           HA2      GLY  86  -6.507  17.500 -11.259
  683    HA3  GLY  86           HA3      GLY  86  -7.226  16.019 -11.908
  684    H    GLY  87           H        GLY  87 -10.014  16.779 -11.729
  685    HA2  GLY  87           HA2      GLY  87 -10.275  19.232 -13.392
  686    HA3  GLY  87           HA3      GLY  87 -10.664  17.638 -14.069
  687    H    LYS  88           H        LYS  88 -12.044  16.353 -12.008
  688    HA   LYS  88           HA       LYS  88 -14.577  17.612 -12.566
  689    HB2  LYS  88           HB2      LYS  88 -14.042  15.267 -10.694
  690    HB3  LYS  88           HB3      LYS  88 -15.601  15.764 -11.362
  691    HG2  LYS  88           HG2      LYS  88 -14.588  15.414 -13.698
  692    HG3  LYS  88           HG3      LYS  88 -13.194  14.696 -12.891
  693    HD2  LYS  88           HD2      LYS  88 -14.456  12.864 -13.498
  694    HD3  LYS  88           HD3      LYS  88 -14.864  13.059 -11.784
  695    HE2  LYS  88           HE2      LYS  88 -16.968  14.256 -12.470
  696    HE3  LYS  88           HE3      LYS  88 -16.502  14.065 -14.165
  697    HZ1  LYS  88           HZ1      LYS  88 -18.023  12.349 -13.632
  698    HZ2  LYS  88           HZ2      LYS  88 -16.566  11.608 -13.744
  699    HZ3  LYS  88           HZ3      LYS  88 -17.228  11.902 -12.275
  700    H    ASP  89           H        ASP  89 -12.825  17.080  -9.486
  701    HA   ASP  89           HA       ASP  89 -13.042  17.855  -7.429
  702    HB2  ASP  89           HB2      ASP  89 -11.972  19.706  -8.682
  703    HB3  ASP  89           HB3      ASP  89 -13.548  20.484  -8.839
  704    H    ASP  90           H        ASP  90 -15.646  16.974  -8.676
  705    HA   ASP  90           HA       ASP  90 -17.524  18.025  -6.650
  706    HB2  ASP  90           HB2      ASP  90 -17.534  19.589  -8.632
  707    HB3  ASP  90           HB3      ASP  90 -18.008  18.231  -9.651
  708    H    ASP  91           H        ASP  91 -16.207  15.341  -7.683
  709    HA   ASP  91           HA       ASP  91 -18.612  13.690  -7.531
  710    HB2  ASP  91           HB2      ASP  91 -18.439  14.194  -9.965
  711    HB3  ASP  91           HB3      ASP  91 -16.772  13.609  -9.959
  712    H    VAL  92           H        VAL  92 -17.942  11.339  -7.339
  713    HA   VAL  92           HA       VAL  92 -15.274  11.068  -6.076
  714    HB   VAL  92           HB       VAL  92 -17.864  10.178  -4.786
  715   HG11  VAL  92          HG11      VAL  92 -15.049  10.428  -3.662
  716   HG12  VAL  92          HG12      VAL  92 -16.488   9.939  -2.746
  717   HG13  VAL  92          HG13      VAL  92 -15.889   8.909  -4.042
  718   HG21  VAL  92          HG21      VAL  92 -16.250  12.690  -4.170
  719   HG22  VAL  92          HG22      VAL  92 -17.940  12.616  -4.717
  720   HG23  VAL  92          HG23      VAL  92 -17.516  12.021  -3.118
  721    H    TYR  93           H        TYR  93 -14.499   9.025  -6.097
  722    HA   TYR  93           HA       TYR  93 -15.877   6.846  -7.580
  723    HB2  TYR  93           HB2      TYR  93 -12.990   7.804  -7.848
  724    HB3  TYR  93           HB3      TYR  93 -13.654   6.390  -8.636
  725    HD1  TYR  93           HD1      TYR  93 -15.996   7.000 -10.016
  726    HD2  TYR  93           HD2      TYR  93 -12.584   9.559  -9.336
  727    HE1  TYR  93           HE1      TYR  93 -16.460   8.181 -12.142
  728    HE2  TYR  93           HE2      TYR  93 -13.023  10.723 -11.471
  729    HH   TYR  93           HH       TYR  93 -14.263  10.697 -13.446
  730    H    THR  94           H        THR  94 -14.264   4.884  -7.336
  731    HA   THR  94           HA       THR  94 -13.080   4.768  -4.603
  732    HB   THR  94           HB       THR  94 -14.488   2.390  -5.849
  733    HG1  THR  94           HG1      THR  94 -16.029   3.993  -5.432
  734   HG21  THR  94          HG21      THR  94 -14.444   1.520  -3.551
  735   HG22  THR  94          HG22      THR  94 -12.805   1.916  -4.088
  736   HG23  THR  94          HG23      THR  94 -13.661   3.009  -2.976
  737    H    ALA  95           H        ALA  95 -11.092   3.862  -4.566
  738    HA   ALA  95           HA       ALA  95  -9.885   2.855  -7.099
  739    HB1  ALA  95           HB1      ALA  95  -9.245   5.223  -6.751
  740    HB2  ALA  95           HB2      ALA  95  -8.717   4.853  -5.098
  741    HB3  ALA  95           HB3      ALA  95  -7.853   4.154  -6.476
  742    H    LYS  96           H        LYS  96  -7.998   1.484  -6.646
  743    HA   LYS  96           HA       LYS  96  -8.285  -0.174  -4.228
  744    HB2  LYS  96           HB2      LYS  96  -6.289  -0.145  -6.540
  745    HB3  LYS  96           HB3      LYS  96  -6.245  -1.294  -5.203
  746    HG2  LYS  96           HG2      LYS  96  -8.277  -2.331  -5.816
  747    HG3  LYS  96           HG3      LYS  96  -8.730  -1.049  -6.945
  748    HD2  LYS  96           HD2      LYS  96  -6.206  -2.688  -7.338
  749    HD3  LYS  96           HD3      LYS  96  -7.776  -3.250  -7.936
  750    HE2  LYS  96           HE2      LYS  96  -7.987  -1.567  -9.517
  751    HE3  LYS  96           HE3      LYS  96  -6.986  -0.430  -8.610
  752    HZ1  LYS  96           HZ1      LYS  96  -5.884  -2.766 -10.046
  753    HZ2  LYS  96           HZ2      LYS  96  -5.859  -1.196 -10.563
  754    HZ3  LYS  96           HZ3      LYS  96  -5.044  -1.576  -9.227
  755    H    LEU  97           H        LEU  97  -6.965   0.047  -2.455
  756    HA   LEU  97           HA       LEU  97  -5.338   2.375  -2.023
  757    HB2  LEU  97           HB2      LEU  97  -6.338   0.849  -0.241
  758    HB3  LEU  97           HB3      LEU  97  -5.127  -0.356  -0.686
  759    HG   LEU  97           HG       LEU  97  -3.316   1.289  -0.045
  760   HD11  LEU  97          HD11      LEU  97  -5.718   2.932   0.889
  761   HD12  LEU  97          HD12      LEU  97  -4.068   3.209   1.444
  762   HD13  LEU  97          HD13      LEU  97  -4.458   3.437  -0.264
  763   HD21  LEU  97          HD21      LEU  97  -5.356   0.676   2.132
  764   HD22  LEU  97          HD22      LEU  97  -4.127  -0.452   1.512
  765   HD23  LEU  97          HD23      LEU  97  -3.626   1.012   2.367
  766    H    SER  98           H        SER  98  -4.798  -0.804  -3.427
  767    HA   SER  98           HA       SER  98  -2.010  -0.945  -3.636
  768    HB2  SER  98           HB2      SER  98  -4.036  -1.964  -5.654
  769    HB3  SER  98           HB3      SER  98  -2.521  -2.723  -5.151
  770    HG   SER  98           HG       SER  98  -4.472  -3.630  -4.187
  771    H    ASP  99           H        ASP  99  -4.082   1.324  -5.187
  772    HA   ASP  99           HA       ASP  99  -2.142   1.797  -7.411
  773    HB2  ASP  99           HB2      ASP  99  -5.183   1.972  -7.334
  774    HB3  ASP  99           HB3      ASP  99  -4.215   2.790  -8.547
  775    H    ILE 100           H        ILE 100  -2.756   2.916  -4.449
  776    HA   ILE 100           HA       ILE 100  -2.870   5.792  -5.236
  777    HB   ILE 100           HB       ILE 100  -4.121   4.233  -3.004
  778   HG12  ILE 100          HG12      ILE 100  -5.151   5.102  -5.225
  779   HG13  ILE 100          HG13      ILE 100  -6.067   5.244  -3.722
  780   HG21  ILE 100          HG21      ILE 100  -2.892   5.801  -1.645
  781   HG22  ILE 100          HG22      ILE 100  -3.387   7.172  -2.661
  782   HG23  ILE 100          HG23      ILE 100  -4.588   6.283  -1.694
  783   HD11  ILE 100          HD11      ILE 100  -5.632   7.608  -3.607
  784   HD12  ILE 100          HD12      ILE 100  -4.499   7.516  -4.977
  785   HD13  ILE 100          HD13      ILE 100  -6.232   7.196  -5.220
  786    H    GLU 101           H        GLU 101  -1.477   7.131  -4.447
  787    HA   GLU 101           HA       GLU 101   0.622   6.215  -2.540
  788    HB2  GLU 101           HB2      GLU 101   1.438   6.005  -4.895
  789    HB3  GLU 101           HB3      GLU 101   1.147   7.732  -5.140
  790    HG2  GLU 101           HG2      GLU 101   2.759   8.240  -3.302
  791    HG3  GLU 101           HG3      GLU 101   3.033   6.510  -3.071
  792    H    ALA 102           H        ALA 102   0.413   7.595  -0.801
  793    HA   ALA 102           HA       ALA 102  -1.201   9.976  -1.002
  794    HB1  ALA 102           HB1      ALA 102  -1.085   8.734   1.100
  795    HB2  ALA 102           HB2      ALA 102   0.669   9.026   1.212
  796    HB3  ALA 102           HB3      ALA 102  -0.494  10.368   1.329
  797    H    ILE 103           H        ILE 103  -0.604  12.124  -0.676
  798    HA   ILE 103           HA       ILE 103   2.231  12.855  -1.273
  799    HB   ILE 103           HB       ILE 103  -0.378  14.216  -2.041
  800   HG12  ILE 103          HG12      ILE 103   1.711  13.049  -3.937
  801   HG13  ILE 103          HG13      ILE 103   0.309  12.134  -3.414
  802   HG21  ILE 103          HG21      ILE 103   1.019  15.849  -3.266
  803   HG22  ILE 103          HG22      ILE 103   1.411  15.869  -1.554
  804   HG23  ILE 103          HG23      ILE 103   2.490  15.033  -2.691
  805   HD11  ILE 103          HD11      ILE 103   0.226  14.717  -5.012
  806   HD12  ILE 103          HD12      ILE 103  -0.205  13.089  -5.542
  807   HD13  ILE 103          HD13      ILE 103  -1.200  13.896  -4.328
  808    H    ASP 104           H        ASP 104   3.189  14.081   0.179
  809    HA   ASP 104           HA       ASP 104   3.653  15.142   2.095
  810    HB2  ASP 104           HB2      ASP 104   2.988  16.891   0.503
  811    HB3  ASP 104           HB3      ASP 104   1.347  16.860   1.150
  812    H    VAL 105           H        VAL 105   2.233  12.896   2.778
  813    HA   VAL 105           HA       VAL 105   0.278  13.779   4.833
  814    HB   VAL 105           HB       VAL 105  -0.232  12.074   2.945
  815   HG11  VAL 105          HG11      VAL 105   0.067   9.714   3.559
  816   HG12  VAL 105          HG12      VAL 105   1.622  10.515   3.251
  817   HG13  VAL 105          HG13      VAL 105   1.090  10.181   4.908
  818   HG21  VAL 105          HG21      VAL 105  -1.097  11.445   5.765
  819   HG22  VAL 105          HG22      VAL 105  -1.733  12.754   4.751
  820   HG23  VAL 105          HG23      VAL 105  -1.918  11.083   4.227
  821    H    ASP 106           H        ASP 106   0.274  12.180   6.847
  822    HA   ASP 106           HA       ASP 106   2.872  12.659   8.107
  823    HB2  ASP 106           HB2      ASP 106   0.584  13.017   9.213
  824    HB3  ASP 106           HB3      ASP 106   0.502  11.243   9.315
  825    H    ASP 107           H        ASP 107   3.724  10.945   9.508
  826    HA   ASP 107           HA       ASP 107   4.903   8.931   7.873
  827    HB2  ASP 107           HB2      ASP 107   6.003   9.894   9.833
  828    HB3  ASP 107           HB3      ASP 107   4.789   9.182  10.900
  829    H    ASP 108           H        ASP 108   2.257   8.603  10.295
  830    HA   ASP 108           HA       ASP 108   2.172   5.740  10.097
  831    HB2  ASP 108           HB2      ASP 108   0.167   7.801  11.078
  832    HB3  ASP 108           HB3      ASP 108  -0.201   6.080  11.020
  833    H    THR 109           H        THR 109   0.308   8.341   8.397
  834    HA   THR 109           HA       THR 109  -1.406   6.485   7.006
  835    HB   THR 109           HB       THR 109  -0.665   9.373   6.337
  836    HG1  THR 109           HG1      THR 109  -1.593   9.306   8.383
  837   HG21  THR 109          HG21      THR 109  -3.150   7.778   5.615
  838   HG22  THR 109          HG22      THR 109  -2.885   9.484   5.314
  839   HG23  THR 109          HG23      THR 109  -1.876   8.290   4.472
  840    H    GLN 110           H        GLN 110   1.716   8.083   6.219
  841    HA   GLN 110           HA       GLN 110   1.929   7.028   3.593
  842    HB2  GLN 110           HB2      GLN 110   3.287   8.889   4.877
  843    HB3  GLN 110           HB3      GLN 110   4.327   7.561   5.383
  844    HG2  GLN 110           HG2      GLN 110   3.646   8.388   2.522
  845    HG3  GLN 110           HG3      GLN 110   5.144   8.760   3.365
  846   HE21  GLN 110          HE22      GLN 110   3.794   6.647   1.131
  847   HE22  GLN 110          HE21      GLN 110   4.872   5.291   1.340
  848    H    GLU 111           H        GLU 111   3.061   5.746   6.793
  849    HA   GLU 111           HA       GLU 111   4.340   3.447   5.789
  850    HB2  GLU 111           HB2      GLU 111   3.204   4.306   8.443
  851    HB3  GLU 111           HB3      GLU 111   3.476   2.593   8.239
  852    HG2  GLU 111           HG2      GLU 111   5.571   4.707   7.661
  853    HG3  GLU 111           HG3      GLU 111   5.408   3.869   9.209
  854    H    ALA 112           H        ALA 112   0.919   3.893   6.762
  855    HA   ALA 112           HA       ALA 112   0.148   1.170   6.511
  856    HB1  ALA 112           HB1      ALA 112  -1.453   3.685   5.868
  857    HB2  ALA 112           HB2      ALA 112  -2.137   2.070   6.154
  858    HB3  ALA 112           HB3      ALA 112  -1.305   2.931   7.463
  859    H    ILE 113           H        ILE 113   0.321   3.764   4.062
  860    HA   ILE 113           HA       ILE 113  -0.722   2.169   1.902
  861    HB   ILE 113           HB       ILE 113   0.754   4.807   2.123
  862   HG12  ILE 113          HG12      ILE 113  -2.122   4.283   1.282
  863   HG13  ILE 113          HG13      ILE 113  -1.682   4.394   2.982
  864   HG21  ILE 113          HG21      ILE 113  -0.399   3.548  -0.403
  865   HG22  ILE 113          HG22      ILE 113   0.087   5.249  -0.248
  866   HG23  ILE 113          HG23      ILE 113   1.300   3.978  -0.092
  867   HD11  ILE 113          HD11      ILE 113  -0.682   6.661   2.521
  868   HD12  ILE 113          HD12      ILE 113  -1.474   6.567   0.916
  869   HD13  ILE 113          HD13      ILE 113  -2.438   6.523   2.414
  870    H    ALA 114           H        ALA 114   2.620   3.174   2.817
  871    HA   ALA 114           HA       ALA 114   3.966   1.911   0.691
  872    HB1  ALA 114           HB1      ALA 114   4.988   3.589   2.199
  873    HB2  ALA 114           HB2      ALA 114   4.908   2.442   3.551
  874    HB3  ALA 114           HB3      ALA 114   5.943   2.105   2.151
  875    H    ASP 115           H        ASP 115   3.238   0.736   4.000
  876    HA   ASP 115           HA       ASP 115   4.507  -1.783   3.813
  877    HB2  ASP 115           HB2      ASP 115   3.725  -0.674   5.903
  878    HB3  ASP 115           HB3      ASP 115   2.055  -1.027   5.447
  879    H    TRP 116           H        TRP 116   1.191  -0.758   2.963
  880    HA   TRP 116           HA       TRP 116   0.216  -3.379   2.305
  881    HB2  TRP 116           HB2      TRP 116  -1.342  -1.555   2.702
  882    HB3  TRP 116           HB3      TRP 116  -0.665  -0.617   1.371
  883    HD1  TRP 116           HD1      TRP 116  -1.817  -0.890  -0.899
  884    HE1  TRP 116           HE1      TRP 116  -3.360  -2.604  -2.035
  885    HE3  TRP 116           HE3      TRP 116  -2.106  -4.340   2.877
  886    HZ2  TRP 116           HZ2      TRP 116  -4.431  -5.213  -1.435
  887    HZ3  TRP 116           HZ3      TRP 116  -3.387  -6.429   2.566
  888    HH2  TRP 116           HH2      TRP 116  -4.524  -6.898   0.394
  889    H    LEU 117           H        LEU 117   1.813  -0.797   0.360
  890    HA   LEU 117           HA       LEU 117   1.561  -2.200  -2.133
  891    HB2  LEU 117           HB2      LEU 117   3.434   0.006  -1.199
  892    HB3  LEU 117           HB3      LEU 117   3.428  -0.607  -2.846
  893    HG   LEU 117           HG       LEU 117   0.931   0.555  -1.534
  894   HD11  LEU 117          HD11      LEU 117   1.420   2.631  -2.756
  895   HD12  LEU 117          HD12      LEU 117   2.694   2.267  -1.584
  896   HD13  LEU 117          HD13      LEU 117   2.970   1.956  -3.314
  897   HD21  LEU 117          HD21      LEU 117   0.460  -0.866  -3.483
  898   HD22  LEU 117          HD22      LEU 117   0.162   0.833  -3.855
  899   HD23  LEU 117          HD23      LEU 117   1.638   0.044  -4.452
  900    H    TYR 118           H        TYR 118   4.109  -2.220   0.411
  901    HA   TYR 118           HA       TYR 118   5.922  -3.863  -1.076
  902    HB2  TYR 118           HB2      TYR 118   5.534  -3.808   1.937
  903    HB3  TYR 118           HB3      TYR 118   6.954  -4.364   1.070
  904    HD1  TYR 118           HD1      TYR 118   7.028  -1.911  -0.955
  905    HD2  TYR 118           HD2      TYR 118   6.647  -2.246   3.332
  906    HE1  TYR 118           HE1      TYR 118   8.051   0.314  -0.693
  907    HE2  TYR 118           HE2      TYR 118   7.583   0.017   3.597
  908    HH   TYR 118           HH       TYR 118   8.611   1.831   2.517
  909    H    TRP 119           H        TRP 119   3.330  -4.697   1.287
  910    HA   TRP 119           HA       TRP 119   3.630  -7.516   1.199
  911    HB2  TRP 119           HB2      TRP 119   2.433  -6.451   2.941
  912    HB3  TRP 119           HB3      TRP 119   1.401  -5.574   1.829
  913    HD1  TRP 119           HD1      TRP 119  -0.765  -6.644   0.994
  914    HE1  TRP 119           HE1      TRP 119  -2.147  -8.629   1.757
  915    HE3  TRP 119           HE3      TRP 119   2.833  -9.118   3.668
  916    HZ2  TRP 119           HZ2      TRP 119  -1.773 -10.998   3.447
  917    HZ3  TRP 119           HZ3      TRP 119   2.295 -11.239   4.834
  918    HH2  TRP 119           HH2      TRP 119  -0.005 -12.177   4.742
  919    H    LEU 120           H        LEU 120   1.698  -5.275  -0.821
  920    HA   LEU 120           HA       LEU 120   0.295  -7.083  -2.369
  921    HB2  LEU 120           HB2      LEU 120   0.201  -4.499  -2.336
  922    HB3  LEU 120           HB3      LEU 120   1.582  -4.536  -3.418
  923    HG   LEU 120           HG       LEU 120  -0.007  -6.172  -4.841
  924   HD11  LEU 120          HD11      LEU 120  -1.963  -4.384  -3.326
  925   HD12  LEU 120          HD12      LEU 120  -2.363  -5.513  -4.638
  926   HD13  LEU 120          HD13      LEU 120  -1.797  -6.115  -3.065
  927   HD21  LEU 120          HD21      LEU 120  -0.787  -4.179  -6.093
  928   HD22  LEU 120          HD22      LEU 120  -0.264  -3.134  -4.747
  929   HD23  LEU 120          HD23      LEU 120   0.927  -4.069  -5.672
  930    H    ALA 121           H        ALA 121   3.581  -5.705  -2.940
  931    HA   ALA 121           HA       ALA 121   4.057  -7.195  -5.349
  932    HB1  ALA 121           HB1      ALA 121   5.161  -5.038  -4.837
  933    HB2  ALA 121           HB2      ALA 121   5.997  -5.784  -3.455
  934    HB3  ALA 121           HB3      ALA 121   6.357  -6.320  -5.108
  935    H    ARG 122           H        ARG 122   4.860  -7.758  -1.914
  936    HA   ARG 122           HA       ARG 122   6.798  -9.798  -2.361
  937    HB2  ARG 122           HB2      ARG 122   5.136  -8.979   0.025
  938    HB3  ARG 122           HB3      ARG 122   6.229 -10.380   0.110
  939    HG2  ARG 122           HG2      ARG 122   8.147  -8.977  -0.459
  940    HG3  ARG 122           HG3      ARG 122   7.062  -7.618  -0.705
  941    HD2  ARG 122           HD2      ARG 122   8.029  -7.218   1.387
  942    HD3  ARG 122           HD3      ARG 122   6.401  -7.776   1.740
  943    HE   ARG 122           HE       ARG 122   7.444 -10.046   2.168
  944   HH11  ARG 122          HH21      ARG 122   9.584  -7.164   2.526
  945   HH12  ARG 122          HH22      ARG 122  10.353  -7.848   3.935
  946   HH21  ARG 122          HH11      ARG 122   8.721 -10.917   3.869
  947   HH22  ARG 122          HH12      ARG 122  10.081  -9.974   4.470
  948    H    GLY 123           H        GLY 123   3.335 -10.029  -2.602
  949    HA2  GLY 123           HA2      GLY 123   2.566 -11.816  -3.994
  950    HA3  GLY 123           HA3      GLY 123   3.786 -12.898  -3.325
  951    H    TYR 124           H        TYR 124   1.559 -10.749  -1.513
  952    HA   TYR 124           HA       TYR 124   0.530 -12.639   0.262
  953    HB2  TYR 124           HB2      TYR 124  -1.098 -11.072   0.780
  954    HB3  TYR 124           HB3      TYR 124   0.301 -10.121   0.290
  955    HD1  TYR 124           HD2      TYR 124   0.243  -9.586  -2.445
  956    HD2  TYR 124           HD1      TYR 124  -3.173 -10.249   0.114
  957    HE1  TYR 124           HE2      TYR 124  -1.172  -8.436  -4.065
  958    HE2  TYR 124           HE1      TYR 124  -4.602  -9.018  -1.478
  959    HH   TYR 124           HH       TYR 124  -3.366  -7.787  -4.623
  960    H    LYS 125           H        LYS 125  -1.692 -13.550   0.391
  961    HA   LYS 125           HA       LYS 125  -2.665 -14.509  -2.271
  962    HB2  LYS 125           HB2      LYS 125  -2.100 -16.263   0.150
  963    HB3  LYS 125           HB3      LYS 125  -2.665 -16.789  -1.441
  964    HG2  LYS 125           HG2      LYS 125  -0.528 -15.844  -2.422
  965    HG3  LYS 125           HG3      LYS 125   0.048 -15.603  -0.765
  966    HD2  LYS 125           HD2      LYS 125  -0.744 -18.279  -1.997
  967    HD3  LYS 125           HD3      LYS 125   0.911 -17.681  -1.804
  968    HE2  LYS 125           HE2      LYS 125   0.586 -17.589   0.668
  969    HE3  LYS 125           HE3      LYS 125  -1.046 -18.245   0.470
  970    HZ1  LYS 125           HZ1      LYS 125  -0.053 -20.250  -0.473
  971    HZ2  LYS 125           HZ2      LYS 125   1.454 -19.645  -0.285
  972    HZ3  LYS 125           HZ3      LYS 125   0.539 -19.975   1.019
  973    H    PHE 126           H        PHE 126  -3.718 -13.211   0.761
  974    HA   PHE 126           HA       PHE 126  -6.128 -14.764   0.962
  975    HB2  PHE 126           HB2      PHE 126  -6.913 -13.341   2.556
  976    HB3  PHE 126           HB3      PHE 126  -5.184 -13.309   2.804
  977    HD1  PHE 126           HD2      PHE 126  -8.142 -11.406   1.623
  978    HD2  PHE 126           HD1      PHE 126  -3.946 -11.214   2.587
  979    HE1  PHE 126           HE2      PHE 126  -8.256  -8.930   1.622
  980    HE2  PHE 126           HE1      PHE 126  -4.076  -8.732   2.618
  981    HZ   PHE 126           HZ       PHE 126  -6.220  -7.586   2.132
  Start of MODEL   15
    1    H1   MET   1           H1       MET   1  14.393 -12.424  -3.676
    2    H2   MET   1           H2       MET   1  14.491 -12.384  -5.316
    3    H3   MET   1           H3       MET   1  13.984 -11.063  -4.476
    4    HA   MET   1           HA       MET   1  12.136 -12.185  -5.537
    5    HB2  MET   1           HB2      MET   1  13.106 -14.472  -5.408
    6    HB3  MET   1           HB3      MET   1  12.863 -14.481  -3.656
    7    HG2  MET   1           HG2      MET   1  10.413 -14.212  -4.016
    8    HG3  MET   1           HG3      MET   1  10.668 -14.235  -5.761
    9    HE1  MET   1           HE1      MET   1  12.729 -16.601  -6.315
   10    HE2  MET   1           HE2      MET   1  11.585 -17.944  -6.506
   11    HE3  MET   1           HE3      MET   1  11.192 -16.346  -7.177
   12    H    ALA   2           H        ALA   2  10.365 -11.196  -4.718
   13    HA   ALA   2           HA       ALA   2   9.288  -9.732  -3.412
   14    HB1  ALA   2           HB1      ALA   2   8.277 -10.615  -1.381
   15    HB2  ALA   2           HB2      ALA   2   8.239 -11.825  -2.676
   16    HB3  ALA   2           HB3      ALA   2   9.431 -11.965  -1.359
   17    H    SER   3           H        SER   3  11.721  -8.874  -3.620
   18    HA   SER   3           HA       SER   3  13.212  -8.577  -1.168
   19    HB2  SER   3           HB2      SER   3  13.579  -7.135  -3.815
   20    HB3  SER   3           HB3      SER   3  14.802  -7.487  -2.583
   21    HG   SER   3           HG       SER   3  14.941  -8.921  -4.344
   22    H    VAL   4           H        VAL   4  10.488  -7.516  -1.116
   23    HA   VAL   4           HA       VAL   4  10.201  -4.813  -1.716
   24    HB   VAL   4           HB       VAL   4   8.301  -4.964  -0.040
   25   HG11  VAL   4          HG11      VAL   4   8.486  -7.028  -2.259
   26   HG12  VAL   4          HG12      VAL   4   6.992  -6.494  -1.466
   27   HG13  VAL   4          HG13      VAL   4   7.960  -5.329  -2.389
   28   HG21  VAL   4          HG21      VAL   4   8.993  -7.925   0.155
   29   HG22  VAL   4          HG22      VAL   4   9.183  -6.739   1.469
   30   HG23  VAL   4          HG23      VAL   4   7.585  -7.116   0.816
   31    H    GLU   5           H        GLU   5  11.755  -6.221   1.133
   32    HA   GLU   5           HA       GLU   5  12.499  -3.581   2.119
   33    HB2  GLU   5           HB2      GLU   5  10.281  -5.178   3.251
   34    HB3  GLU   5           HB3      GLU   5  11.527  -4.888   4.448
   35    HG2  GLU   5           HG2      GLU   5  10.639  -2.547   2.737
   36    HG3  GLU   5           HG3      GLU   5   9.542  -3.144   3.962
   37    H    ARG   6           H        ARG   6  14.019  -3.862   4.020
   38    HA   ARG   6           HA       ARG   6  16.062  -5.530   2.966
   39    HB2  ARG   6           HB2      ARG   6  17.543  -4.632   4.509
   40    HB3  ARG   6           HB3      ARG   6  16.431  -3.334   4.133
   41    HG2  ARG   6           HG2      ARG   6  16.411  -5.032   6.684
   42    HG3  ARG   6           HG3      ARG   6  17.088  -3.413   6.511
   43    HD2  ARG   6           HD2      ARG   6  14.852  -2.542   5.903
   44    HD3  ARG   6           HD3      ARG   6  14.152  -4.152   6.203
   45    HE   ARG   6           HE       ARG   6  15.515  -3.500   8.528
   46   HH11  ARG   6          HH11      ARG   6  12.846  -2.124   6.608
   47   HH12  ARG   6          HH12      ARG   6  12.070  -1.384   7.959
   48   HH21  ARG   6          HH21      ARG   6  14.471  -2.510  10.343
   49   HH22  ARG   6          HH22      ARG   6  13.021  -1.607  10.135
   50    H    ASP   7           H        ASP   7  13.658  -6.405   5.332
   51    HA   ASP   7           HA       ASP   7  14.926  -8.990   5.742
   52    HB2  ASP   7           HB2      ASP   7  16.028  -7.479   7.441
   53    HB3  ASP   7           HB3      ASP   7  14.437  -7.141   8.117
   54    H    GLU   8           H        GLU   8  13.480 -10.299   7.220
   55    HA   GLU   8           HA       GLU   8  10.713 -10.195   6.345
   56    HB2  GLU   8           HB2      GLU   8  12.226 -12.021   8.266
   57    HB3  GLU   8           HB3      GLU   8  10.563 -12.282   7.724
   58    HG2  GLU   8           HG2      GLU   8  11.333 -12.429   5.374
   59    HG3  GLU   8           HG3      GLU   8  13.004 -12.222   5.902
   60    H    THR   9           H        THR   9  11.994  -8.100   8.406
   61    HA   THR   9           HA       THR   9  10.556  -8.213  10.848
   62    HB   THR   9           HB       THR   9  10.772  -5.602  10.334
   63    HG1  THR   9           HG1      THR   9  12.310  -5.127   8.833
   64   HG21  THR   9          HG21      THR   9  12.137  -6.791  12.020
   65   HG22  THR   9          HG22      THR   9  13.210  -7.396  10.739
   66   HG23  THR   9          HG23      THR   9  13.140  -5.655  11.100
   67    H    ARG  10           H        ARG  10   9.743  -7.033   7.577
   68    HA   ARG  10           HA       ARG  10   7.166  -5.970   8.244
   69    HB2  ARG  10           HB2      ARG  10   8.249  -7.136   5.635
   70    HB3  ARG  10           HB3      ARG  10   6.673  -6.359   5.766
   71    HG2  ARG  10           HG2      ARG  10   9.301  -4.963   6.447
   72    HG3  ARG  10           HG3      ARG  10   8.497  -4.910   4.870
   73    HD2  ARG  10           HD2      ARG  10   6.546  -3.846   5.787
   74    HD3  ARG  10           HD3      ARG  10   7.165  -3.979   7.445
   75    HE   ARG  10           HE       ARG  10   9.114  -2.562   6.025
   76   HH11  ARG  10          HH11      ARG  10   5.647  -1.973   6.797
   77   HH12  ARG  10          HH12      ARG  10   5.952  -0.226   6.901
   78   HH21  ARG  10          HH21      ARG  10   9.330  -0.402   6.076
   79   HH22  ARG  10          HH22      ARG  10   7.948   0.652   6.494
   80    H    GLU  11           H        GLU  11   8.097  -9.270   7.101
   81    HA   GLU  11           HA       GLU  11   5.367 -10.174   7.079
   82    HB2  GLU  11           HB2      GLU  11   7.987 -11.731   7.112
   83    HB3  GLU  11           HB3      GLU  11   6.375 -12.439   6.919
   84    HG2  GLU  11           HG2      GLU  11   6.044 -10.818   4.947
   85    HG3  GLU  11           HG3      GLU  11   7.771 -10.476   5.057
   86    H    HIS  12           H        HIS  12   7.953 -10.243   9.559
   87    HA   HIS  12           HA       HIS  12   6.517 -11.745  11.504
   88    HB2  HIS  12           HB2      HIS  12   8.916 -11.166  11.653
   89    HB3  HIS  12           HB3      HIS  12   8.507  -9.474  11.902
   90    HD1  HIS  12           HD1      HIS  12   6.072 -10.364  14.190
   91    HD2  HIS  12           HD2      HIS  12  10.214 -11.193  13.989
   92    HE1  HIS  12           HE1      HIS  12   6.838 -10.781  16.558
   93    H    ARG  13           H        ARG  13   6.633  -8.146  10.962
   94    HA   ARG  13           HA       ARG  13   4.817  -7.523  13.060
   95    HB2  ARG  13           HB2      ARG  13   5.556  -6.074  10.487
   96    HB3  ARG  13           HB3      ARG  13   4.453  -5.386  11.685
   97    HG2  ARG  13           HG2      ARG  13   6.141  -5.380  13.405
   98    HG3  ARG  13           HG3      ARG  13   7.274  -6.296  12.400
   99    HD2  ARG  13           HD2      ARG  13   7.336  -4.438  10.763
  100    HD3  ARG  13           HD3      ARG  13   6.218  -3.508  11.789
  101    HE   ARG  13           HE       ARG  13   8.458  -4.310  13.344
  102   HH11  ARG  13          HH11      ARG  13   7.679  -2.051  10.718
  103   HH12  ARG  13          HH12      ARG  13   8.928  -0.931  11.117
  104   HH21  ARG  13          HH21      ARG  13  10.124  -2.818  13.881
  105   HH22  ARG  13          HH22      ARG  13  10.345  -1.380  12.961
  106    H    ILE  14           H        ILE  14   4.189  -8.233   9.592
  107    HA   ILE  14           HA       ILE  14   1.388  -7.863   9.636
  108    HB   ILE  14           HB       ILE  14   3.242  -9.673   8.056
  109   HG12  ILE  14          HG12      ILE  14   1.616  -7.280   7.127
  110   HG13  ILE  14          HG13      ILE  14   3.217  -7.093   7.800
  111   HG21  ILE  14          HG21      ILE  14   1.114 -10.839   8.062
  112   HG22  ILE  14          HG22      ILE  14   0.244  -9.346   7.626
  113   HG23  ILE  14          HG23      ILE  14   1.365 -10.120   6.482
  114   HD11  ILE  14          HD11      ILE  14   3.351  -7.084   5.385
  115   HD12  ILE  14          HD12      ILE  14   4.166  -8.528   6.008
  116   HD13  ILE  14          HD13      ILE  14   2.556  -8.659   5.273
  117    H    GLU  15           H        GLU  15   3.302 -10.860  10.305
  118    HA   GLU  15           HA       GLU  15   1.081 -12.454  10.924
  119    HB2  GLU  15           HB2      GLU  15   3.297 -13.313  10.356
  120    HB3  GLU  15           HB3      GLU  15   3.976 -12.670  11.858
  121    HG2  GLU  15           HG2      GLU  15   2.577 -14.171  13.188
  122    HG3  GLU  15           HG3      GLU  15   1.744 -14.738  11.736
  123    H    THR  16           H        THR  16   3.154 -10.568  13.265
  124    HA   THR  16           HA       THR  16   1.474 -11.636  15.409
  125    HB   THR  16           HB       THR  16   3.171 -10.510  16.872
  126    HG1  THR  16           HG1      THR  16   4.002  -8.920  15.566
  127   HG21  THR  16          HG21      THR  16   4.336 -12.351  14.735
  128   HG22  THR  16          HG22      THR  16   4.909 -12.133  16.404
  129   HG23  THR  16          HG23      THR  16   3.341 -12.889  16.106
  130    H    GLU  17           H        GLU  17   1.262  -8.825  13.513
  131    HA   GLU  17           HA       GLU  17  -0.293  -7.461  15.661
  132    HB2  GLU  17           HB2      GLU  17   2.142  -6.659  14.956
  133    HB3  GLU  17           HB3      GLU  17   1.261  -5.871  13.639
  134    HG2  GLU  17           HG2      GLU  17  -0.179  -4.735  15.351
  135    HG3  GLU  17           HG3      GLU  17   0.722  -5.546  16.626
  136    H    ILE  18           H        ILE  18  -0.475  -8.588  12.369
  137    HA   ILE  18           HA       ILE  18  -2.871  -6.841  11.957
  138    HB   ILE  18           HB       ILE  18  -1.086  -7.979   9.785
  139   HG12  ILE  18          HG12      ILE  18  -1.082  -5.225  11.094
  140   HG13  ILE  18          HG13      ILE  18   0.246  -6.378  11.051
  141   HG21  ILE  18          HG21      ILE  18  -2.315  -6.469   8.315
  142   HG22  ILE  18          HG22      ILE  18  -3.461  -7.498   9.151
  143   HG23  ILE  18          HG23      ILE  18  -3.238  -5.826   9.692
  144   HD11  ILE  18          HD11      ILE  18  -0.824  -4.747   8.732
  145   HD12  ILE  18          HD12      ILE  18   0.779  -4.694   9.480
  146   HD13  ILE  18          HD13      ILE  18   0.293  -6.113   8.531
  147    H    ILE  19           H        ILE  19  -1.535 -10.159  11.315
  148    HA   ILE  19           HA       ILE  19  -4.354 -11.098  11.034
  149    HB   ILE  19           HB       ILE  19  -3.480 -12.660   9.384
  150   HG12  ILE  19          HG12      ILE  19  -0.957 -10.986   9.272
  151   HG13  ILE  19          HG13      ILE  19  -1.050 -12.423  10.308
  152   HG21  ILE  19          HG21      ILE  19  -2.945  -9.750   8.648
  153   HG22  ILE  19          HG22      ILE  19  -3.405 -11.060   7.558
  154   HG23  ILE  19          HG23      ILE  19  -4.558 -10.482   8.765
  155   HD11  ILE  19          HD11      ILE  19  -1.676 -13.787   8.398
  156   HD12  ILE  19          HD12      ILE  19  -1.536 -12.368   7.325
  157   HD13  ILE  19          HD13      ILE  19  -0.095 -12.999   8.165
  158    H    VAL  20           H        VAL  20  -2.434 -11.153  13.464
  159    HA   VAL  20           HA       VAL  20  -1.448 -13.619  13.960
  160    HB   VAL  20           HB       VAL  20  -1.181 -11.548  15.298
  161   HG11  VAL  20          HG11      VAL  20  -2.661 -11.015  17.144
  162   HG12  VAL  20          HG12      VAL  20  -3.565 -10.941  15.627
  163   HG13  VAL  20          HG13      VAL  20  -3.759 -12.339  16.709
  164   HG21  VAL  20          HG21      VAL  20  -0.778 -12.638  17.433
  165   HG22  VAL  20          HG22      VAL  20  -1.826 -13.999  16.976
  166   HG23  VAL  20          HG23      VAL  20  -0.306 -13.707  16.101
  167    H    ASP  21           H        ASP  21  -4.909 -12.826  14.384
  168    HA   ASP  21           HA       ASP  21  -5.421 -15.584  15.371
  169    HB2  ASP  21           HB2      ASP  21  -6.179 -13.643  16.713
  170    HB3  ASP  21           HB3      ASP  21  -7.179 -13.107  15.361
  171    H    ALA  22           H        ALA  22  -5.089 -14.243  12.487
  172    HA   ALA  22           HA       ALA  22  -7.679 -14.968  11.272
  173    HB1  ALA  22           HB1      ALA  22  -5.489 -13.100  10.326
  174    HB2  ALA  22           HB2      ALA  22  -6.972 -13.479   9.456
  175    HB3  ALA  22           HB3      ALA  22  -7.060 -12.625  11.011
  176    H    GLU  23           H        GLU  23  -7.756 -16.451   9.834
  177    HA   GLU  23           HA       GLU  23  -5.527 -17.257   8.119
  178    HB2  GLU  23           HB2      GLU  23  -7.057 -19.530   9.357
  179    HB3  GLU  23           HB3      GLU  23  -5.589 -19.566   8.406
  180    HG2  GLU  23           HG2      GLU  23  -4.756 -20.149  10.436
  181    HG3  GLU  23           HG3      GLU  23  -4.503 -18.413  10.539
  182    H    ASP  24           H        ASP  24  -8.991 -17.210   9.010
  183    HA   ASP  24           HA       ASP  24  -9.912 -18.609   6.658
  184    HB2  ASP  24           HB2      ASP  24 -11.327 -16.956   8.793
  185    HB3  ASP  24           HB3      ASP  24 -12.080 -18.010   7.609
  186    H    LYS  25           H        LYS  25 -10.777 -17.399   4.837
  187    HA   LYS  25           HA       LYS  25  -9.125 -15.243   4.180
  188    HB2  LYS  25           HB2      LYS  25 -10.400 -14.979   2.146
  189    HB3  LYS  25           HB3      LYS  25 -10.073 -16.674   2.511
  190    HG2  LYS  25           HG2      LYS  25 -12.413 -16.908   3.392
  191    HG3  LYS  25           HG3      LYS  25 -12.709 -15.209   2.998
  192    HD2  LYS  25           HD2      LYS  25 -13.661 -16.616   1.281
  193    HD3  LYS  25           HD3      LYS  25 -12.317 -15.677   0.605
  194    HE2  LYS  25           HE2      LYS  25 -10.826 -17.651   0.820
  195    HE3  LYS  25           HE3      LYS  25 -12.144 -18.580   1.545
  196    HZ1  LYS  25           HZ1      LYS  25 -13.356 -18.369  -0.549
  197    HZ2  LYS  25           HZ2      LYS  25 -12.139 -17.508  -1.220
  198    HZ3  LYS  25           HZ3      LYS  25 -11.908 -19.065  -0.807
  199    H    GLU  26           H        GLU  26 -12.408 -15.080   5.550
  200    HA   GLU  26           HA       GLU  26 -12.771 -12.286   5.040
  201    HB2  GLU  26           HB2      GLU  26 -14.001 -13.925   7.308
  202    HB3  GLU  26           HB3      GLU  26 -14.577 -12.410   6.627
  203    HG2  GLU  26           HG2      GLU  26 -15.992 -13.768   5.524
  204    HG3  GLU  26           HG3      GLU  26 -14.678 -13.839   4.358
  205    H    GLU  27           H        GLU  27 -11.270 -14.161   7.715
  206    HA   GLU  27           HA       GLU  27 -10.954 -11.886   9.478
  207    HB2  GLU  27           HB2      GLU  27  -9.327 -14.439   9.339
  208    HB3  GLU  27           HB3      GLU  27  -9.456 -13.336  10.711
  209    HG2  GLU  27           HG2      GLU  27 -11.779 -13.953  11.065
  210    HG3  GLU  27           HG3      GLU  27 -11.770 -14.983   9.624
  211    H    ARG  28           H        ARG  28  -8.896 -13.632   7.069
  212    HA   ARG  28           HA       ARG  28  -6.529 -12.088   7.528
  213    HB2  ARG  28           HB2      ARG  28  -7.616 -13.529   5.069
  214    HB3  ARG  28           HB3      ARG  28  -6.080 -12.670   5.036
  215    HG2  ARG  28           HG2      ARG  28  -6.603 -14.785   7.141
  216    HG3  ARG  28           HG3      ARG  28  -6.050 -15.225   5.520
  217    HD2  ARG  28           HD2      ARG  28  -4.001 -14.018   5.737
  218    HD3  ARG  28           HD3      ARG  28  -4.579 -13.128   7.140
  219    HE   ARG  28           HE       ARG  28  -4.272 -14.957   8.544
  220   HH11  ARG  28          HH11      ARG  28  -3.231 -15.914   5.245
  221   HH12  ARG  28          HH12      ARG  28  -2.258 -17.207   5.848
  222   HH21  ARG  28          HH21      ARG  28  -3.150 -16.660   9.249
  223   HH22  ARG  28          HH22      ARG  28  -2.185 -17.649   8.192
  224    H    ALA  29           H        ALA  29  -9.231 -11.504   5.213
  225    HA   ALA  29           HA       ALA  29  -8.241  -9.041   4.263
  226    HB1  ALA  29           HB1      ALA  29 -10.002 -10.389   3.177
  227    HB2  ALA  29           HB2      ALA  29 -11.113 -10.028   4.511
  228    HB3  ALA  29           HB3      ALA  29 -10.524  -8.717   3.444
  229    H    MET  30           H        MET  30 -10.554  -9.669   6.989
  230    HA   MET  30           HA       MET  30 -10.894  -6.882   7.499
  231    HB2  MET  30           HB2      MET  30 -11.508  -9.336   9.171
  232    HB3  MET  30           HB3      MET  30 -11.902  -7.692   9.674
  233    HG2  MET  30           HG2      MET  30 -12.952  -9.071   7.172
  234    HG3  MET  30           HG3      MET  30 -13.829  -8.755   8.658
  235    HE1  MET  30           HE1      MET  30 -13.351  -5.995   5.069
  236    HE2  MET  30           HE2      MET  30 -11.891  -6.824   5.627
  237    HE3  MET  30           HE3      MET  30 -13.315  -7.769   5.153
  238    H    GLY  31           H        GLY  31  -8.568  -9.224   8.906
  239    HA2  GLY  31           HA2      GLY  31  -7.594  -7.602  11.003
  240    HA3  GLY  31           HA3      GLY  31  -6.671  -8.826  10.101
  241    H    TRP  32           H        TRP  32  -6.541  -7.865   7.552
  242    HA   TRP  32           HA       TRP  32  -4.700  -5.695   7.622
  243    HB2  TRP  32           HB2      TRP  32  -6.251  -7.102   5.445
  244    HB3  TRP  32           HB3      TRP  32  -5.421  -5.593   5.092
  245    HD1  TRP  32           HD1      TRP  32  -4.713  -9.230   5.623
  246    HE1  TRP  32           HE1      TRP  32  -2.230  -9.685   5.157
  247    HE3  TRP  32           HE3      TRP  32  -3.046  -4.431   5.529
  248    HZ2  TRP  32           HZ2      TRP  32   0.243  -8.130   5.197
  249    HZ3  TRP  32           HZ3      TRP  32  -0.615  -3.923   5.328
  250    HH2  TRP  32           HH2      TRP  32   1.025  -5.774   5.140
  251    H    TYR  33           H        TYR  33  -8.206  -5.726   6.734
  252    HA   TYR  33           HA       TYR  33  -8.369  -3.056   5.970
  253    HB2  TYR  33           HB2      TYR  33 -10.183  -4.642   5.574
  254    HB3  TYR  33           HB3      TYR  33 -10.471  -4.795   7.304
  255    HD1  TYR  33           HD1      TYR  33 -10.835  -2.518   4.389
  256    HD2  TYR  33           HD2      TYR  33 -11.679  -3.138   8.570
  257    HE1  TYR  33           HE1      TYR  33 -12.366  -0.571   4.372
  258    HE2  TYR  33           HE2      TYR  33 -13.126  -1.149   8.590
  259    HH   TYR  33           HH       TYR  33 -14.064   0.576   7.332
  260    H    TYR  34           H        TYR  34  -9.099  -4.299   9.312
  261    HA   TYR  34           HA       TYR  34  -9.702  -1.624  10.177
  262    HB2  TYR  34           HB2      TYR  34  -9.259  -4.210  11.706
  263    HB3  TYR  34           HB3      TYR  34  -9.685  -2.687  12.477
  264    HD1  TYR  34           HD2      TYR  34 -11.784  -1.404  11.498
  265    HD2  TYR  34           HD1      TYR  34 -11.052  -5.624  10.987
  266    HE1  TYR  34           HE2      TYR  34 -14.187  -1.757  11.048
  267    HE2  TYR  34           HE1      TYR  34 -13.457  -5.984  10.502
  268    HH   TYR  34           HH       TYR  34 -15.850  -3.302  10.519
  269    H    TYR  35           H        TYR  35  -6.693  -3.579  10.277
  270    HA   TYR  35           HA       TYR  35  -5.286  -1.724  11.995
  271    HB2  TYR  35           HB2      TYR  35  -4.632  -4.110  11.511
  272    HB3  TYR  35           HB3      TYR  35  -4.282  -3.660   9.847
  273    HD1  TYR  35           HD1      TYR  35  -2.267  -2.321   9.293
  274    HD2  TYR  35           HD2      TYR  35  -3.159  -3.491  13.351
  275    HE1  TYR  35           HE1      TYR  35   0.068  -1.828   9.943
  276    HE2  TYR  35           HE2      TYR  35  -0.834  -3.003  14.008
  277    HH   TYR  35           HH       TYR  35   1.291  -2.457  13.283
  278    H    LEU  36           H        LEU  36  -5.741  -1.970   8.403
  279    HA   LEU  36           HA       LEU  36  -3.968   0.184   7.807
  280    HB2  LEU  36           HB2      LEU  36  -5.989  -1.429   6.322
  281    HB3  LEU  36           HB3      LEU  36  -5.834   0.225   5.773
  282    HG   LEU  36           HG       LEU  36  -3.528   0.045   5.312
  283   HD11  LEU  36          HD11      LEU  36  -2.547  -1.249   7.053
  284   HD12  LEU  36          HD12      LEU  36  -3.573  -2.649   6.695
  285   HD13  LEU  36          HD13      LEU  36  -2.279  -2.148   5.568
  286   HD21  LEU  36          HD21      LEU  36  -3.585  -1.677   3.553
  287   HD22  LEU  36          HD22      LEU  36  -4.901  -2.524   4.392
  288   HD23  LEU  36          HD23      LEU  36  -5.179  -0.921   3.682
  289    H    ASP  37           H        ASP  37  -7.605   0.126   8.299
  290    HA   ASP  37           HA       ASP  37  -7.849   2.957   8.017
  291    HB2  ASP  37           HB2      ASP  37  -9.916   1.677   8.445
  292    HB3  ASP  37           HB3      ASP  37  -9.318   1.157  10.013
  293    H    ASP  38           H        ASP  38  -6.954   0.951  10.951
  294    HA   ASP  38           HA       ASP  38  -7.111   3.334  12.268
  295    HB2  ASP  38           HB2      ASP  38  -7.282   1.195  13.461
  296    HB3  ASP  38           HB3      ASP  38  -5.511   1.178  13.550
  297    H    THR  39           H        THR  39  -4.532   2.183  10.389
  298    HA   THR  39           HA       THR  39  -2.428   3.782  11.718
  299    HB   THR  39           HB       THR  39  -2.460   2.226   9.094
  300    HG1  THR  39           HG1      THR  39  -2.863   0.807  10.742
  301   HG21  THR  39          HG21      THR  39  -0.640   3.944   9.497
  302   HG22  THR  39          HG22      THR  39  -0.126   2.988  10.897
  303   HG23  THR  39          HG23      THR  39  -0.048   2.282   9.267
  304    H    LEU  40           H        LEU  40  -4.368   3.815   8.692
  305    HA   LEU  40           HA       LEU  40  -3.424   6.268   7.623
  306    HB2  LEU  40           HB2      LEU  40  -6.161   4.969   7.417
  307    HB3  LEU  40           HB3      LEU  40  -5.566   6.255   6.372
  308    HG   LEU  40           HG       LEU  40  -4.167   3.562   6.524
  309   HD11  LEU  40          HD11      LEU  40  -6.553   3.201   5.905
  310   HD12  LEU  40          HD12      LEU  40  -6.387   4.382   4.587
  311   HD13  LEU  40          HD13      LEU  40  -5.468   2.860   4.555
  312   HD21  LEU  40          HD21      LEU  40  -3.433   4.097   4.241
  313   HD22  LEU  40          HD22      LEU  40  -4.184   5.696   4.372
  314   HD23  LEU  40          HD23      LEU  40  -2.831   5.233   5.442
  315    H    GLU  41           H        GLU  41  -4.073   8.358   7.951
  316    HA   GLU  41           HA       GLU  41  -6.338   8.960   9.797
  317    HB2  GLU  41           HB2      GLU  41  -3.622  10.306   9.534
  318    HB3  GLU  41           HB3      GLU  41  -4.988  11.025  10.396
  319    HG2  GLU  41           HG2      GLU  41  -3.792   8.311  11.085
  320    HG3  GLU  41           HG3      GLU  41  -3.325   9.822  11.849
  321    H    PHE  42           H        PHE  42  -7.015   8.465   7.347
  322    HA   PHE  42           HA       PHE  42  -6.899  10.568   5.447
  323    HB2  PHE  42           HB2      PHE  42  -8.871   9.361   4.449
  324    HB3  PHE  42           HB3      PHE  42  -7.466   8.380   4.737
  325    HD1  PHE  42           HD1      PHE  42 -10.751   9.300   6.351
  326    HD2  PHE  42           HD2      PHE  42  -7.756   6.268   5.663
  327    HE1  PHE  42           HE1      PHE  42 -12.212   7.608   7.417
  328    HE2  PHE  42           HE2      PHE  42  -9.218   4.585   6.748
  329    HZ   PHE  42           HZ       PHE  42 -11.458   5.248   7.605
  330    HA   PRO  43           HA       PRO  43  -9.009  11.319   3.809
  331    HB2  PRO  43           HB2      PRO  43  -9.372  13.924   3.066
  332    HB3  PRO  43           HB3      PRO  43 -10.708  12.821   3.503
  333    HG2  PRO  43           HG2      PRO  43  -9.327  14.850   5.281
  334    HG3  PRO  43           HG3      PRO  43 -11.088  14.596   5.045
  335    HD2  PRO  43           HD2      PRO  43  -9.769  13.506   7.156
  336    HD3  PRO  43           HD3      PRO  43 -11.061  12.599   6.317
  337    H    PHE  44           H        PHE  44  -7.409  11.893   2.243
  338    HA   PHE  44           HA       PHE  44  -5.238  13.696   2.952
  339    HB2  PHE  44           HB2      PHE  44  -3.449  12.125   2.792
  340    HB3  PHE  44           HB3      PHE  44  -4.500  11.629   4.099
  341    HD1  PHE  44           HD1      PHE  44  -3.250  10.809   0.727
  342    HD2  PHE  44           HD2      PHE  44  -5.642   9.455   4.016
  343    HE1  PHE  44           HE1      PHE  44  -3.331   8.567  -0.291
  344    HE2  PHE  44           HE2      PHE  44  -5.724   7.182   3.021
  345    HZ   PHE  44           HZ       PHE  44  -4.577   6.728   0.859
  346    H    MET  45           H        MET  45  -3.629  13.760   1.018
  347    HA   MET  45           HA       MET  45  -5.213  13.575  -1.500
  348    HB2  MET  45           HB2      MET  45  -4.327  15.786  -0.791
  349    HB3  MET  45           HB3      MET  45  -2.697  15.107  -0.679
  350    HG2  MET  45           HG2      MET  45  -2.787  14.618  -3.138
  351    HG3  MET  45           HG3      MET  45  -4.348  15.445  -3.204
  352    HE1  MET  45           HE1      MET  45  -1.862  15.968  -4.961
  353    HE2  MET  45           HE2      MET  45  -3.304  16.993  -5.136
  354    HE3  MET  45           HE3      MET  45  -1.695  17.744  -5.002
  355    H    GLY  46           H        GLY  46  -4.353  12.394  -3.324
  356    HA2  GLY  46           HA2      GLY  46  -1.657  11.301  -3.116
  357    HA3  GLY  46           HA3      GLY  46  -2.957  10.097  -3.099
  358    H    LYS  47           H        LYS  47  -1.345   9.777  -5.049
  359    HA   LYS  47           HA       LYS  47  -2.695  10.912  -7.461
  360    HB2  LYS  47           HB2      LYS  47  -0.045  10.920  -7.199
  361    HB3  LYS  47           HB3      LYS  47  -0.170   9.192  -7.442
  362    HG2  LYS  47           HG2      LYS  47   0.265  10.060  -9.590
  363    HG3  LYS  47           HG3      LYS  47  -1.459   9.708  -9.606
  364    HD2  LYS  47           HD2      LYS  47  -1.216  11.836 -10.646
  365    HD3  LYS  47           HD3      LYS  47  -1.852  12.182  -9.041
  366    HE2  LYS  47           HE2      LYS  47   0.336  12.851  -8.231
  367    HE3  LYS  47           HE3      LYS  47   1.114  12.299  -9.720
  368    HZ1  LYS  47           HZ1      LYS  47   0.027  14.043 -10.925
  369    HZ2  LYS  47           HZ2      LYS  47  -0.888  14.493  -9.653
  370    HZ3  LYS  47           HZ3      LYS  47   0.737  14.728  -9.631
  371    H    TRP  48           H        TRP  48  -4.142   9.565  -8.411
  372    HA   TRP  48           HA       TRP  48  -4.288   6.710  -7.598
  373    HB2  TRP  48           HB2      TRP  48  -6.384   8.055  -7.888
  374    HB3  TRP  48           HB3      TRP  48  -5.974   8.314  -9.573
  375    HD1  TRP  48           HD1      TRP  48  -5.070   4.850  -9.045
  376    HE1  TRP  48           HE1      TRP  48  -6.860   3.218  -9.706
  377    HE3  TRP  48           HE3      TRP  48  -9.024   8.098  -9.126
  378    HZ2  TRP  48           HZ2      TRP  48  -9.736   3.297 -10.245
  379    HZ3  TRP  48           HZ3      TRP  48 -11.300   7.270  -9.677
  380    HH2  TRP  48           HH2      TRP  48 -11.661   4.881 -10.253
  381    H    LYS  49           H        LYS  49  -2.771   5.482  -8.580
  382    HA   LYS  49           HA       LYS  49  -1.536   6.304 -11.142
  383    HB2  LYS  49           HB2      LYS  49  -0.871   4.210  -9.022
  384    HB3  LYS  49           HB3      LYS  49   0.031   4.405 -10.527
  385    HG2  LYS  49           HG2      LYS  49   0.683   6.689  -9.926
  386    HG3  LYS  49           HG3      LYS  49  -0.353   6.649  -8.497
  387    HD2  LYS  49           HD2      LYS  49   1.808   6.322  -7.701
  388    HD3  LYS  49           HD3      LYS  49   1.014   4.738  -7.613
  389    HE2  LYS  49           HE2      LYS  49   2.198   4.099  -9.741
  390    HE3  LYS  49           HE3      LYS  49   2.997   5.681  -9.725
  391    HZ1  LYS  49           HZ1      LYS  49   3.322   3.517  -7.739
  392    HZ2  LYS  49           HZ2      LYS  49   4.468   4.139  -8.719
  393    HZ3  LYS  49           HZ3      LYS  49   3.870   5.033  -7.470
  394    H    LYS  50           H        LYS  50  -3.830   5.933 -11.954
  395    HA   LYS  50           HA       LYS  50  -5.121   3.433 -11.639
  396    HB2  LYS  50           HB2      LYS  50  -6.202   5.646 -12.178
  397    HB3  LYS  50           HB3      LYS  50  -5.652   5.450 -13.854
  398    HG2  LYS  50           HG2      LYS  50  -6.922   3.359 -14.047
  399    HG3  LYS  50           HG3      LYS  50  -7.350   3.413 -12.332
  400    HD2  LYS  50           HD2      LYS  50  -8.561   5.572 -12.746
  401    HD3  LYS  50           HD3      LYS  50  -8.276   5.376 -14.481
  402    HE2  LYS  50           HE2      LYS  50  -9.704   3.339 -12.700
  403    HE3  LYS  50           HE3      LYS  50 -10.545   4.597 -13.605
  404    HZ1  LYS  50           HZ1      LYS  50 -10.511   2.464 -14.765
  405    HZ2  LYS  50           HZ2      LYS  50  -9.783   3.619 -15.647
  406    HZ3  LYS  50           HZ3      LYS  50  -8.879   2.486 -14.877
  407    H    LYS  51           H        LYS  51  -4.663   1.512 -12.521
  408    HA   LYS  51           HA       LYS  51  -2.707   1.150 -14.560
  409    HB2  LYS  51           HB2      LYS  51  -3.314  -0.335 -12.557
  410    HB3  LYS  51           HB3      LYS  51  -4.754  -0.816 -13.442
  411    HG2  LYS  51           HG2      LYS  51  -2.878  -1.405 -15.317
  412    HG3  LYS  51           HG3      LYS  51  -1.839  -1.449 -13.919
  413    HD2  LYS  51           HD2      LYS  51  -2.647  -3.685 -14.491
  414    HD3  LYS  51           HD3      LYS  51  -3.220  -3.202 -12.902
  415    HE2  LYS  51           HE2      LYS  51  -4.939  -4.412 -14.176
  416    HE3  LYS  51           HE3      LYS  51  -5.464  -2.788 -13.747
  417    HZ1  LYS  51           HZ1      LYS  51  -4.444  -3.553 -16.435
  418    HZ2  LYS  51           HZ2      LYS  51  -6.018  -3.403 -16.029
  419    HZ3  LYS  51           HZ3      LYS  51  -5.066  -2.082 -16.002
  420    H    SER  52           H        SER  52  -4.346   2.803 -15.983
  421    HA   SER  52           HA       SER  52  -5.732   1.023 -17.922
  422    HB2  SER  52           HB2      SER  52  -7.119   3.398 -16.637
  423    HB3  SER  52           HB3      SER  52  -7.822   2.187 -17.720
  424    HG   SER  52           HG       SER  52  -7.339   0.629 -16.021
  425    H    ARG  53           H        ARG  53  -3.299   3.033 -18.037
  426    HA   ARG  53           HA       ARG  53  -4.231   5.326 -19.447
  427    HB2  ARG  53           HB2      ARG  53  -1.893   4.894 -18.421
  428    HB3  ARG  53           HB3      ARG  53  -1.506   4.087 -19.938
  429    HG2  ARG  53           HG2      ARG  53  -2.094   6.184 -21.180
  430    HG3  ARG  53           HG3      ARG  53  -2.476   6.960 -19.639
  431    HD2  ARG  53           HD2      ARG  53  -0.300   7.677 -20.297
  432    HD3  ARG  53           HD3      ARG  53  -0.112   6.622 -18.910
  433    HE   ARG  53           HE       ARG  53   0.351   5.847 -21.772
  434   HH11  ARG  53          HH11      ARG  53   1.285   5.419 -18.346
  435   HH12  ARG  53          HH12      ARG  53   2.775   4.634 -18.738
  436   HH21  ARG  53          HH21      ARG  53   2.249   4.681 -22.243
  437   HH22  ARG  53          HH22      ARG  53   3.279   4.122 -20.984
  438    H    LYS  54           H        LYS  54  -3.280   2.116 -20.668
  439    HA   LYS  54           HA       LYS  54  -4.881   2.686 -23.104
  440    HB2  LYS  54           HB2      LYS  54  -2.432   3.036 -23.618
  441    HB3  LYS  54           HB3      LYS  54  -2.144   1.337 -23.208
  442    HG2  LYS  54           HG2      LYS  54  -3.730   0.653 -25.011
  443    HG3  LYS  54           HG3      LYS  54  -4.008   2.361 -25.400
  444    HD2  LYS  54           HD2      LYS  54  -1.603   2.623 -25.959
  445    HD3  LYS  54           HD3      LYS  54  -1.325   0.912 -25.559
  446    HE2  LYS  54           HE2      LYS  54  -2.938   0.241 -27.328
  447    HE3  LYS  54           HE3      LYS  54  -3.217   1.941 -27.725
  448    HZ1  LYS  54           HZ1      LYS  54  -0.883   2.104 -28.371
  449    HZ2  LYS  54           HZ2      LYS  54  -0.625   0.531 -28.005
  450    HZ3  LYS  54           HZ3      LYS  54  -1.623   0.933 -29.226
  451    H    THR  55           H        THR  55  -3.043   0.121 -21.326
  452    HA   THR  55           HA       THR  55  -5.477  -1.613 -21.451
  453    HB   THR  55           HB       THR  55  -3.765  -3.502 -21.785
  454    HG1  THR  55           HG1      THR  55  -1.809  -2.878 -22.709
  455   HG21  THR  55          HG21      THR  55  -4.019  -1.542 -24.110
  456   HG22  THR  55          HG22      THR  55  -3.723  -3.289 -24.203
  457   HG23  THR  55          HG23      THR  55  -5.280  -2.691 -23.609
  458    H    SER  56           H        SER  56  -2.161  -1.816 -20.136
  459    HA   SER  56           HA       SER  56  -3.224  -1.631 -17.380
  460    HB2  SER  56           HB2      SER  56  -1.356  -3.766 -18.485
  461    HB3  SER  56           HB3      SER  56  -1.592  -3.479 -16.751
  462    HG   SER  56           HG       SER  56  -2.970  -5.124 -17.798
  463    H    THR  57           H        THR  57  -1.541   0.017 -19.477
  464    HA   THR  57           HA       THR  57   0.905   0.676 -18.125
  465    HB   THR  57           HB       THR  57   0.397   2.764 -19.710
  466    HG1  THR  57           HG1      THR  57  -0.952   2.133 -21.432
  467   HG21  THR  57          HG21      THR  57   1.295   1.506 -21.630
  468   HG22  THR  57          HG22      THR  57   2.132   1.045 -20.139
  469   HG23  THR  57          HG23      THR  57   0.895  -0.030 -20.830
  470    H    ILE  58           H        ILE  58   1.230   2.476 -16.736
  471    HA   ILE  58           HA       ILE  58  -1.065   3.056 -15.016
  472    HB   ILE  58           HB       ILE  58   1.864   3.851 -14.907
  473   HG12  ILE  58          HG12      ILE  58   1.474   1.410 -14.622
  474   HG13  ILE  58          HG13      ILE  58   2.163   2.184 -13.209
  475   HG21  ILE  58          HG21      ILE  58   1.406   4.432 -12.492
  476   HG22  ILE  58          HG22      ILE  58   0.674   5.529 -13.664
  477   HG23  ILE  58          HG23      ILE  58  -0.331   4.316 -12.861
  478   HD11  ILE  58          HD11      ILE  58   0.003   2.099 -12.047
  479   HD12  ILE  58          HD12      ILE  58  -0.776   1.428 -13.501
  480   HD13  ILE  58          HD13      ILE  58   0.455   0.495 -12.638
  481    H    GLU  59           H        GLU  59  -2.203   4.861 -14.964
  482    HA   GLU  59           HA       GLU  59  -1.363   7.287 -16.479
  483    HB2  GLU  59           HB2      GLU  59  -3.469   6.171 -17.324
  484    HB3  GLU  59           HB3      GLU  59  -4.169   6.320 -15.715
  485    HG2  GLU  59           HG2      GLU  59  -4.052   8.781 -15.874
  486    HG3  GLU  59           HG3      GLU  59  -3.220   8.659 -17.427
  487    H    GLU  60           H        GLU  60  -1.670   9.268 -15.143
  488    HA   GLU  60           HA       GLU  60  -1.780   8.673 -12.212
  489    HB2  GLU  60           HB2      GLU  60   0.162  10.376 -13.817
  490    HB3  GLU  60           HB3      GLU  60  -0.020  10.485 -12.060
  491    HG2  GLU  60           HG2      GLU  60   0.468   8.074 -11.844
  492    HG3  GLU  60           HG3      GLU  60   0.704   7.961 -13.591
  493    H    LYS  61           H        LYS  61  -3.565   9.526 -11.429
  494    HA   LYS  61           HA       LYS  61  -4.430  12.236 -12.421
  495    HB2  LYS  61           HB2      LYS  61  -5.881  10.375 -13.140
  496    HB3  LYS  61           HB3      LYS  61  -6.084   9.863 -11.458
  497    HG2  LYS  61           HG2      LYS  61  -7.268  11.935 -10.914
  498    HG3  LYS  61           HG3      LYS  61  -6.875  12.617 -12.499
  499    HD2  LYS  61           HD2      LYS  61  -9.186  11.897 -12.481
  500    HD3  LYS  61           HD3      LYS  61  -8.257  10.905 -13.610
  501    HE2  LYS  61           HE2      LYS  61  -8.111   9.105 -11.871
  502    HE3  LYS  61           HE3      LYS  61  -9.071  10.107 -10.773
  503    HZ1  LYS  61           HZ1      LYS  61 -10.429   8.469 -11.947
  504    HZ2  LYS  61           HZ2      LYS  61 -10.903   9.974 -12.368
  505    HZ3  LYS  61           HZ3      LYS  61 -10.005   9.078 -13.398
  506    H    THR  62           H        THR  62  -4.401  13.809 -10.854
  507    HA   THR  62           HA       THR  62  -3.623  13.094  -8.166
  508    HB   THR  62           HB       THR  62  -4.504  15.817  -9.189
  509    HG1  THR  62           HG1      THR  62  -2.660  15.994 -10.217
  510   HG21  THR  62          HG21      THR  62  -2.779  16.565  -7.568
  511   HG22  THR  62          HG22      THR  62  -4.020  15.579  -6.766
  512   HG23  THR  62          HG23      THR  62  -2.438  14.866  -7.143
  513    H    VAL  63           H        VAL  63  -4.903  12.823  -6.377
  514    HA   VAL  63           HA       VAL  63  -7.788  13.443  -6.611
  515    HB   VAL  63           HB       VAL  63  -8.237  11.177  -5.787
  516   HG11  VAL  63          HG11      VAL  63  -6.871  11.157  -8.502
  517   HG12  VAL  63          HG12      VAL  63  -8.015   9.952  -7.892
  518   HG13  VAL  63          HG13      VAL  63  -8.554  11.604  -8.166
  519   HG21  VAL  63          HG21      VAL  63  -5.981  10.590  -4.885
  520   HG22  VAL  63          HG22      VAL  63  -6.598   9.371  -5.997
  521   HG23  VAL  63          HG23      VAL  63  -5.363  10.505  -6.550
  522    H    GLU  64           H        GLU  64  -8.917  13.278  -4.674
  523    HA   GLU  64           HA       GLU  64  -7.333  13.488  -2.145
  524    HB2  GLU  64           HB2      GLU  64  -8.726  15.481  -2.679
  525    HB3  GLU  64           HB3      GLU  64 -10.160  14.455  -2.783
  526    HG2  GLU  64           HG2      GLU  64  -9.961  13.852  -0.417
  527    HG3  GLU  64           HG3      GLU  64  -8.393  14.652  -0.304
  528    H    VAL  65           H        VAL  65  -7.528  11.737  -0.848
  529    HA   VAL  65           HA       VAL  65  -9.454   9.565  -1.475
  530    HB   VAL  65           HB       VAL  65  -6.946   9.712   0.269
  531   HG11  VAL  65          HG11      VAL  65  -8.449   8.251   1.448
  532   HG12  VAL  65          HG12      VAL  65  -8.993   7.486  -0.057
  533   HG13  VAL  65          HG13      VAL  65  -7.345   7.209   0.554
  534   HG21  VAL  65          HG21      VAL  65  -6.085   8.025  -1.326
  535   HG22  VAL  65          HG22      VAL  65  -7.585   8.144  -2.272
  536   HG23  VAL  65          HG23      VAL  65  -6.483   9.536  -2.146
  537    H    LEU  66           H        LEU  66 -11.355   9.845  -0.453
  538    HA   LEU  66           HA       LEU  66 -11.633  11.643   1.803
  539    HB2  LEU  66           HB2      LEU  66 -13.583   9.617   0.606
  540    HB3  LEU  66           HB3      LEU  66 -13.971  10.784   1.853
  541    HG   LEU  66           HG       LEU  66 -14.838  11.656  -0.128
  542   HD11  LEU  66          HD11      LEU  66 -12.216  13.164   0.247
  543   HD12  LEU  66          HD12      LEU  66 -13.739  13.795  -0.404
  544   HD13  LEU  66          HD13      LEU  66 -13.642  13.320   1.301
  545   HD21  LEU  66          HD21      LEU  66 -13.729  11.972  -2.207
  546   HD22  LEU  66          HD22      LEU  66 -12.163  11.477  -1.562
  547   HD23  LEU  66          HD23      LEU  66 -13.480  10.287  -1.729
  548    H    GLY  67           H        GLY  67 -11.464   8.077   1.403
  549    HA2  GLY  67           HA2      GLY  67 -10.246   7.486   3.751
  550    HA3  GLY  67           HA3      GLY  67 -11.984   7.454   4.150
  551    H    MET  68           H        MET  68 -11.024   5.131   4.459
  552    HA   MET  68           HA       MET  68 -10.795   3.440   2.120
  553    HB2  MET  68           HB2      MET  68 -11.438   2.777   5.015
  554    HB3  MET  68           HB3      MET  68 -11.259   1.580   3.722
  555    HG2  MET  68           HG2      MET  68  -8.958   2.459   3.253
  556    HG3  MET  68           HG3      MET  68  -9.130   3.557   4.621
  557    HE1  MET  68           HE1      MET  68  -8.134   0.005   3.428
  558    HE2  MET  68           HE2      MET  68  -8.577  -1.022   4.812
  559    HE3  MET  68           HE3      MET  68  -9.845  -0.249   3.832
  560    H    ALA  69           H        ALA  69 -12.312   2.068   1.235
  561    HA   ALA  69           HA       ALA  69 -15.071   3.012   1.102
  562    HB1  ALA  69           HB1      ALA  69 -13.790   1.968  -0.824
  563    HB2  ALA  69           HB2      ALA  69 -13.824   0.431   0.084
  564    HB3  ALA  69           HB3      ALA  69 -15.329   1.165  -0.481
  565    HA   PRO  70           HA       PRO  70 -16.916   0.503   4.296
  566    HB2  PRO  70           HB2      PRO  70 -18.448  -0.952   2.128
  567    HB3  PRO  70           HB3      PRO  70 -19.036  -0.330   3.705
  568    HG2  PRO  70           HG2      PRO  70 -19.485   1.090   1.436
  569    HG3  PRO  70           HG3      PRO  70 -18.943   1.936   2.923
  570    HD2  PRO  70           HD2      PRO  70 -17.304   1.102   0.528
  571    HD3  PRO  70           HD3      PRO  70 -17.252   2.635   1.450
  572    H    ASP  71           H        ASP  71 -16.522  -1.388   5.360
  573    HA   ASP  71           HA       ASP  71 -14.433  -3.069   4.539
  574    HB2  ASP  71           HB2      ASP  71 -14.786  -4.296   6.498
  575    HB3  ASP  71           HB3      ASP  71 -15.236  -2.650   6.910
  576    H    ASP  72           H        ASP  72 -17.893  -3.337   3.981
  577    HA   ASP  72           HA       ASP  72 -18.120  -6.081   3.367
  578    HB2  ASP  72           HB2      ASP  72 -20.027  -4.583   3.772
  579    HB3  ASP  72           HB3      ASP  72 -19.653  -3.678   2.302
  580    H    GLU  73           H        GLU  73 -16.676  -3.492   1.487
  581    HA   GLU  73           HA       GLU  73 -16.685  -5.158  -0.987
  582    HB2  GLU  73           HB2      GLU  73 -15.839  -2.270  -0.491
  583    HB3  GLU  73           HB3      GLU  73 -15.705  -3.128  -2.032
  584    HG2  GLU  73           HG2      GLU  73 -18.198  -3.549  -1.950
  585    HG3  GLU  73           HG3      GLU  73 -18.283  -2.502  -0.532
  586    H    CYS  74           H        CYS  74 -14.753  -4.555   1.791
  587    HA   CYS  74           HA       CYS  74 -12.212  -4.711   0.325
  588    HB2  CYS  74           HB2      CYS  74 -12.814  -4.116   3.243
  589    HB3  CYS  74           HB3      CYS  74 -11.214  -4.087   2.486
  590    HG   CYS  74           HG       CYS  74 -13.887  -2.234   1.836
  591    H    LEU  75           H        LEU  75 -13.909  -7.142   0.520
  592    HA   LEU  75           HA       LEU  75 -12.564  -8.912   2.431
  593    HB2  LEU  75           HB2      LEU  75 -14.779  -9.186   0.391
  594    HB3  LEU  75           HB3      LEU  75 -13.950 -10.633   0.905
  595    HG   LEU  75           HG       LEU  75 -15.992 -10.289   2.125
  596   HD11  LEU  75          HD11      LEU  75 -14.104 -11.522   3.169
  597   HD12  LEU  75          HD12      LEU  75 -13.603 -10.032   4.002
  598   HD13  LEU  75          HD13      LEU  75 -15.176 -10.764   4.356
  599   HD21  LEU  75          HD21      LEU  75 -14.725  -7.826   3.383
  600   HD22  LEU  75          HD22      LEU  75 -16.054  -7.828   2.216
  601   HD23  LEU  75          HD23      LEU  75 -16.283  -8.552   3.814
  602    H    LYS  76           H        LYS  76 -11.875  -7.861  -0.736
  603    HA   LYS  76           HA       LYS  76 -10.115 -10.232  -1.270
  604    HB2  LYS  76           HB2      LYS  76 -11.962  -8.839  -3.244
  605    HB3  LYS  76           HB3      LYS  76 -10.794 -10.103  -3.646
  606    HG2  LYS  76           HG2      LYS  76 -11.970 -11.658  -2.063
  607    HG3  LYS  76           HG3      LYS  76 -13.223 -10.432  -1.830
  608    HD2  LYS  76           HD2      LYS  76 -12.490 -11.731  -4.489
  609    HD3  LYS  76           HD3      LYS  76 -13.863 -12.175  -3.464
  610    HE2  LYS  76           HE2      LYS  76 -14.788  -9.872  -3.708
  611    HE3  LYS  76           HE3      LYS  76 -13.441  -9.449  -4.773
  612    HZ1  LYS  76           HZ1      LYS  76 -15.465 -11.538  -5.337
  613    HZ2  LYS  76           HZ2      LYS  76 -15.398 -10.068  -6.034
  614    HZ3  LYS  76           HZ3      LYS  76 -14.217 -11.151  -6.320
  615    H    ASP  77           H        ASP  77 -10.356  -6.770  -1.284
  616    HA   ASP  77           HA       ASP  77  -7.555  -6.495  -1.766
  617    HB2  ASP  77           HB2      ASP  77  -8.791  -6.409  -4.133
  618    HB3  ASP  77           HB3      ASP  77  -9.280  -4.809  -3.598
  619    H    MET  78           H        MET  78  -7.235  -3.902  -1.446
  620    HA   MET  78           HA       MET  78  -9.173  -3.045   0.689
  621    HB2  MET  78           HB2      MET  78  -6.292  -2.237   0.128
  622    HB3  MET  78           HB3      MET  78  -7.350  -1.388   1.262
  623    HG2  MET  78           HG2      MET  78  -6.606  -4.326   1.461
  624    HG3  MET  78           HG3      MET  78  -5.806  -3.027   2.322
  625    HE1  MET  78           HE1      MET  78  -9.362  -5.444   3.625
  626    HE2  MET  78           HE2      MET  78  -9.153  -5.084   1.902
  627    HE3  MET  78           HE3      MET  78  -7.851  -5.886   2.813
  628    H    TYR  79           H        TYR  79 -10.271  -1.074   0.341
  629    HA   TYR  79           HA       TYR  79  -9.837   0.231  -2.300
  630    HB2  TYR  79           HB2      TYR  79 -12.434  -0.769  -1.095
  631    HB3  TYR  79           HB3      TYR  79 -12.357   0.349  -2.447
  632    HD1  TYR  79           HD2      TYR  79 -11.785  -3.146  -1.362
  633    HD2  TYR  79           HD1      TYR  79 -11.792  -0.400  -4.688
  634    HE1  TYR  79           HE2      TYR  79 -11.854  -5.053  -2.920
  635    HE2  TYR  79           HE1      TYR  79 -11.875  -2.309  -6.265
  636    HH   TYR  79           HH       TYR  79 -11.896  -5.729  -5.159
  637    H    VAL  80           H        VAL  80 -10.744   2.347  -2.463
  638    HA   VAL  80           HA       VAL  80 -11.188   3.813   0.074
  639    HB   VAL  80           HB       VAL  80  -9.580   5.556  -0.928
  640   HG11  VAL  80          HG11      VAL  80  -7.632   4.604   0.199
  641   HG12  VAL  80          HG12      VAL  80  -9.099   4.392   1.145
  642   HG13  VAL  80          HG13      VAL  80  -8.420   3.006   0.254
  643   HG21  VAL  80          HG21      VAL  80  -9.193   4.497  -3.136
  644   HG22  VAL  80          HG22      VAL  80  -7.696   4.779  -2.240
  645   HG23  VAL  80          HG23      VAL  80  -8.369   3.140  -2.335
  646    H    GLU  81           H        GLU  81 -12.400   5.622  -0.140
  647    HA   GLU  81           HA       GLU  81 -13.889   6.042  -2.664
  648    HB2  GLU  81           HB2      GLU  81 -14.076   7.295   0.120
  649    HB3  GLU  81           HB3      GLU  81 -15.024   7.818  -1.283
  650    HG2  GLU  81           HG2      GLU  81 -15.949   5.490  -1.476
  651    HG3  GLU  81           HG3      GLU  81 -15.098   5.057   0.008
  652    H    VAL  82           H        VAL  82 -13.291   7.737  -4.003
  653    HA   VAL  82           HA       VAL  82 -11.101   9.541  -3.135
  654    HB   VAL  82           HB       VAL  82 -10.091   7.430  -3.814
  655   HG11  VAL  82          HG11      VAL  82 -10.217   6.587  -6.129
  656   HG12  VAL  82          HG12      VAL  82 -11.774   6.470  -5.308
  657   HG13  VAL  82          HG13      VAL  82 -11.485   7.760  -6.501
  658   HG21  VAL  82          HG21      VAL  82  -8.548   8.184  -5.481
  659   HG22  VAL  82          HG22      VAL  82  -9.654   9.480  -5.982
  660   HG23  VAL  82          HG23      VAL  82  -8.911   9.502  -4.353
  661    H    ALA  83           H        ALA  83 -10.926  11.440  -4.428
  662    HA   ALA  83           HA       ALA  83 -13.087  11.875  -6.450
  663    HB1  ALA  83           HB1      ALA  83 -12.271  13.668  -4.118
  664    HB2  ALA  83           HB2      ALA  83 -13.357  14.142  -5.440
  665    HB3  ALA  83           HB3      ALA  83 -13.833  12.841  -4.336
  666    H    ASP  84           H        ASP  84 -12.439  13.073  -8.195
  667    HA   ASP  84           HA       ASP  84  -9.563  13.362  -8.644
  668    HB2  ASP  84           HB2      ASP  84 -10.860  12.654 -10.529
  669    HB3  ASP  84           HB3      ASP  84 -12.042  13.951 -10.296
  670    H    ILE  85           H        ILE  85  -8.365  15.083  -8.184
  671    HA   ILE  85           HA       ILE  85  -9.659  17.639  -7.429
  672    HB   ILE  85           HB       ILE  85  -6.736  16.835  -7.400
  673   HG12  ILE  85          HG12      ILE  85  -8.685  16.940  -5.044
  674   HG13  ILE  85          HG13      ILE  85  -8.115  15.466  -5.803
  675   HG21  ILE  85          HG21      ILE  85  -8.132  19.141  -5.974
  676   HG22  ILE  85          HG22      ILE  85  -6.392  18.787  -5.947
  677   HG23  ILE  85          HG23      ILE  85  -7.128  19.322  -7.434
  678   HD11  ILE  85          HD11      ILE  85  -5.750  16.099  -5.201
  679   HD12  ILE  85          HD12      ILE  85  -6.412  17.449  -4.243
  680   HD13  ILE  85          HD13      ILE  85  -6.804  15.798  -3.814
  681    H    GLY  86           H        GLY  86  -8.086  16.067 -10.172
  682    HA2  GLY  86           HA2      GLY  86  -6.689  18.239 -11.295
  683    HA3  GLY  86           HA3      GLY  86  -7.237  16.778 -12.129
  684    H    GLY  87           H        GLY  87 -10.101  17.206 -11.751
  685    HA2  GLY  87           HA2      GLY  87 -10.645  19.712 -13.287
  686    HA3  GLY  87           HA3      GLY  87 -11.022  18.104 -13.936
  687    H    LYS  88           H        LYS  88 -12.098  16.768 -11.706
  688    HA   LYS  88           HA       LYS  88 -14.761  17.876 -11.840
  689    HB2  LYS  88           HB2      LYS  88 -13.647  15.641 -10.082
  690    HB3  LYS  88           HB3      LYS  88 -15.352  16.030 -10.255
  691    HG2  LYS  88           HG2      LYS  88 -13.538  15.062 -12.505
  692    HG3  LYS  88           HG3      LYS  88 -14.681  14.084 -11.581
  693    HD2  LYS  88           HD2      LYS  88 -16.556  15.530 -12.407
  694    HD3  LYS  88           HD3      LYS  88 -15.389  16.403 -13.430
  695    HE2  LYS  88           HE2      LYS  88 -14.783  14.269 -14.550
  696    HE3  LYS  88           HE3      LYS  88 -15.953  13.406 -13.544
  697    HZ1  LYS  88           HZ1      LYS  88 -16.869  13.934 -15.710
  698    HZ2  LYS  88           HZ2      LYS  88 -17.711  14.733 -14.569
  699    HZ3  LYS  88           HZ3      LYS  88 -16.627  15.530 -15.500
  700    H    ASP  89           H        ASP  89 -12.696  17.277  -8.959
  701    HA   ASP  89           HA       ASP  89 -12.832  17.934  -6.854
  702    HB2  ASP  89           HB2      ASP  89 -11.727  19.869  -7.935
  703    HB3  ASP  89           HB3      ASP  89 -13.289  20.683  -8.042
  704    H    ASP  90           H        ASP  90 -15.444  17.211  -8.196
  705    HA   ASP  90           HA       ASP  90 -17.340  18.067  -6.110
  706    HB2  ASP  90           HB2      ASP  90 -17.258  19.889  -7.862
  707    HB3  ASP  90           HB3      ASP  90 -17.751  18.698  -9.064
  708    H    ASP  91           H        ASP  91 -16.088  15.498  -7.508
  709    HA   ASP  91           HA       ASP  91 -18.560  13.956  -7.517
  710    HB2  ASP  91           HB2      ASP  91 -18.288  14.649  -9.917
  711    HB3  ASP  91           HB3      ASP  91 -16.696  13.882  -9.923
  712    H    VAL  92           H        VAL  92 -18.021  11.598  -7.364
  713    HA   VAL  92           HA       VAL  92 -15.337  11.129  -6.197
  714    HB   VAL  92           HB       VAL  92 -17.907  10.428  -4.755
  715   HG11  VAL  92          HG11      VAL  92 -15.975   9.088  -4.048
  716   HG12  VAL  92          HG12      VAL  92 -15.015  10.564  -3.806
  717   HG13  VAL  92          HG13      VAL  92 -16.413  10.212  -2.771
  718   HG21  VAL  92          HG21      VAL  92 -17.893  12.859  -4.735
  719   HG22  VAL  92          HG22      VAL  92 -17.409  12.281  -3.148
  720   HG23  VAL  92          HG23      VAL  92 -16.176  12.887  -4.273
  721    H    TYR  93           H        TYR  93 -14.808   8.976  -6.056
  722    HA   TYR  93           HA       TYR  93 -16.340   6.924  -7.557
  723    HB2  TYR  93           HB2      TYR  93 -13.360   7.429  -7.868
  724    HB3  TYR  93           HB3      TYR  93 -14.375   6.394  -8.844
  725    HD1  TYR  93           HD1      TYR  93 -15.922   7.395 -10.563
  726    HD2  TYR  93           HD2      TYR  93 -13.071   9.761  -8.349
  727    HE1  TYR  93           HE1      TYR  93 -16.023   9.148 -12.313
  728    HE2  TYR  93           HE2      TYR  93 -13.160  11.515 -10.095
  729    HH   TYR  93           HH       TYR  93 -13.993  12.109 -12.182
  730    H    THR  94           H        THR  94 -14.683   4.903  -7.409
  731    HA   THR  94           HA       THR  94 -13.469   4.714  -4.711
  732    HB   THR  94           HB       THR  94 -14.919   2.306  -5.811
  733    HG1  THR  94           HG1      THR  94 -16.492   3.921  -5.600
  734   HG21  THR  94          HG21      THR  94 -13.310   2.014  -3.938
  735   HG22  THR  94          HG22      THR  94 -14.242   3.179  -2.970
  736   HG23  THR  94          HG23      THR  94 -14.971   1.632  -3.458
  737    H    ALA  95           H        ALA  95 -11.529   3.617  -4.727
  738    HA   ALA  95           HA       ALA  95 -10.585   2.339  -7.245
  739    HB1  ALA  95           HB1      ALA  95  -8.415   3.516  -6.981
  740    HB2  ALA  95           HB2      ALA  95  -9.736   4.669  -7.235
  741    HB3  ALA  95           HB3      ALA  95  -9.064   4.428  -5.606
  742    H    LYS  96           H        LYS  96  -8.501   1.102  -6.722
  743    HA   LYS  96           HA       LYS  96  -8.815  -0.304  -4.140
  744    HB2  LYS  96           HB2      LYS  96  -6.601  -0.771  -6.179
  745    HB3  LYS  96           HB3      LYS  96  -7.099  -1.776  -4.828
  746    HG2  LYS  96           HG2      LYS  96  -8.133  -2.960  -6.451
  747    HG3  LYS  96           HG3      LYS  96  -9.429  -1.804  -6.144
  748    HD2  LYS  96           HD2      LYS  96  -8.378  -0.379  -8.046
  749    HD3  LYS  96           HD3      LYS  96  -7.383  -1.783  -8.413
  750    HE2  LYS  96           HE2      LYS  96 -10.436  -1.688  -8.376
  751    HE3  LYS  96           HE3      LYS  96  -9.434  -1.582  -9.822
  752    HZ1  LYS  96           HZ1      LYS  96  -9.598  -3.949  -8.042
  753    HZ2  LYS  96           HZ2      LYS  96 -10.243  -3.816  -9.530
  754    HZ3  LYS  96           HZ3      LYS  96  -8.627  -3.831  -9.356
  755    H    LEU  97           H        LEU  97  -7.367   0.028  -2.459
  756    HA   LEU  97           HA       LEU  97  -5.728   2.392  -2.312
  757    HB2  LEU  97           HB2      LEU  97  -6.654   1.072  -0.341
  758    HB3  LEU  97           HB3      LEU  97  -5.512  -0.213  -0.739
  759    HG   LEU  97           HG       LEU  97  -3.612   1.412  -0.350
  760   HD11  LEU  97          HD11      LEU  97  -5.878   3.197   0.649
  761   HD12  LEU  97          HD12      LEU  97  -4.171   3.484   0.968
  762   HD13  LEU  97          HD13      LEU  97  -4.764   3.562  -0.692
  763   HD21  LEU  97          HD21      LEU  97  -3.790   1.347   2.098
  764   HD22  LEU  97          HD22      LEU  97  -5.534   1.017   1.982
  765   HD23  LEU  97          HD23      LEU  97  -4.351  -0.170   1.386
  766    H    SER  98           H        SER  98  -5.276  -0.938  -3.374
  767    HA   SER  98           HA       SER  98  -2.504  -1.086  -3.787
  768    HB2  SER  98           HB2      SER  98  -4.839  -2.335  -5.309
  769    HB3  SER  98           HB3      SER  98  -3.177  -2.940  -5.292
  770    HG   SER  98           HG       SER  98  -5.090  -3.527  -3.562
  771    H    ASP  99           H        ASP  99  -4.713   1.049  -5.404
  772    HA   ASP  99           HA       ASP  99  -2.970   1.228  -7.806
  773    HB2  ASP  99           HB2      ASP  99  -5.733   0.789  -7.576
  774    HB3  ASP  99           HB3      ASP  99  -5.633   2.525  -7.808
  775    H    ILE 100           H        ILE 100  -3.182   2.621  -4.896
  776    HA   ILE 100           HA       ILE 100  -3.076   5.455  -5.822
  777    HB   ILE 100           HB       ILE 100  -4.317   4.044  -3.480
  778   HG12  ILE 100          HG12      ILE 100  -5.410   4.930  -5.678
  779   HG13  ILE 100          HG13      ILE 100  -6.245   5.076  -4.127
  780   HG21  ILE 100          HG21      ILE 100  -2.958   5.575  -2.217
  781   HG22  ILE 100          HG22      ILE 100  -3.457   6.950  -3.226
  782   HG23  ILE 100          HG23      ILE 100  -4.635   6.112  -2.192
  783   HD11  ILE 100          HD11      ILE 100  -4.693   7.337  -5.407
  784   HD12  ILE 100          HD12      ILE 100  -6.436   7.039  -5.615
  785   HD13  ILE 100          HD13      ILE 100  -5.794   7.417  -4.010
  786    H    GLU 101           H        GLU 101  -1.638   6.790  -4.918
  787    HA   GLU 101           HA       GLU 101   0.403   5.741  -3.020
  788    HB2  GLU 101           HB2      GLU 101   1.307   5.650  -5.349
  789    HB3  GLU 101           HB3      GLU 101   1.016   7.387  -5.520
  790    HG2  GLU 101           HG2      GLU 101   2.582   7.790  -3.608
  791    HG3  GLU 101           HG3      GLU 101   2.876   6.052  -3.502
  792    H    ALA 102           H        ALA 102   0.560   7.206  -1.286
  793    HA   ALA 102           HA       ALA 102  -1.218   9.555  -1.371
  794    HB1  ALA 102           HB1      ALA 102  -0.449   9.907   0.946
  795    HB2  ALA 102           HB2      ALA 102  -1.096   8.296   0.714
  796    HB3  ALA 102           HB3      ALA 102   0.670   8.532   0.795
  797    H    ILE 103           H        ILE 103  -0.550  11.704  -1.089
  798    HA   ILE 103           HA       ILE 103   2.301  12.319  -1.759
  799    HB   ILE 103           HB       ILE 103  -0.265  13.793  -2.448
  800   HG12  ILE 103          HG12      ILE 103   1.741  12.589  -4.411
  801   HG13  ILE 103          HG13      ILE 103   0.331  11.704  -3.863
  802   HG21  ILE 103          HG21      ILE 103   2.621  14.512  -3.138
  803   HG22  ILE 103          HG22      ILE 103   1.174  15.382  -3.695
  804   HG23  ILE 103          HG23      ILE 103   1.585  15.381  -1.987
  805   HD11  ILE 103          HD11      ILE 103  -0.273  12.697  -5.932
  806   HD12  ILE 103          HD12      ILE 103  -1.134  13.597  -4.682
  807   HD13  ILE 103          HD13      ILE 103   0.313  14.293  -5.452
  808    H    ASP 104           H        ASP 104   3.363  13.439  -0.312
  809    HA   ASP 104           HA       ASP 104   3.939  14.493   1.576
  810    HB2  ASP 104           HB2      ASP 104   3.380  16.259  -0.044
  811    HB3  ASP 104           HB3      ASP 104   1.757  16.373   0.638
  812    H    VAL 105           H        VAL 105   2.289  12.371   2.292
  813    HA   VAL 105           HA       VAL 105   0.339  13.440   4.236
  814    HB   VAL 105           HB       VAL 105  -0.150  11.634   2.494
  815   HG11  VAL 105          HG11      VAL 105   1.221   9.829   4.500
  816   HG12  VAL 105          HG12      VAL 105   0.196   9.301   3.173
  817   HG13  VAL 105          HG13      VAL 105   1.732  10.119   2.828
  818   HG21  VAL 105          HG21      VAL 105  -0.998  11.053   5.326
  819   HG22  VAL 105          HG22      VAL 105  -1.640  12.350   4.306
  820   HG23  VAL 105          HG23      VAL 105  -1.820  10.672   3.795
  821    H    ASP 106           H        ASP 106   0.240  11.968   6.364
  822    HA   ASP 106           HA       ASP 106   2.709  12.531   7.766
  823    HB2  ASP 106           HB2      ASP 106   1.488  12.456   9.592
  824    HB3  ASP 106           HB3      ASP 106   0.063  12.350   8.565
  825    H    ASP 107           H        ASP 107   3.905  10.933   8.995
  826    HA   ASP 107           HA       ASP 107   4.963   8.943   7.362
  827    HB2  ASP 107           HB2      ASP 107   6.163   9.962   9.235
  828    HB3  ASP 107           HB3      ASP 107   5.048   9.221  10.387
  829    H    ASP 108           H        ASP 108   2.317   8.595   9.792
  830    HA   ASP 108           HA       ASP 108   2.552   5.708   9.759
  831    HB2  ASP 108           HB2      ASP 108   1.454   7.458  11.530
  832    HB3  ASP 108           HB3      ASP 108   0.000   6.984  10.645
  833    H    THR 109           H        THR 109   0.305   8.108   8.213
  834    HA   THR 109           HA       THR 109  -1.255   6.204   6.790
  835    HB   THR 109           HB       THR 109  -0.511   9.066   6.002
  836    HG1  THR 109           HG1      THR 109  -1.350   9.118   8.018
  837   HG21  THR 109          HG21      THR 109  -2.755   9.108   4.971
  838   HG22  THR 109          HG22      THR 109  -1.722   7.897   4.188
  839   HG23  THR 109          HG23      THR 109  -2.988   7.419   5.354
  840    H    GLN 110           H        GLN 110   1.870   7.812   5.957
  841    HA   GLN 110           HA       GLN 110   2.040   6.688   3.354
  842    HB2  GLN 110           HB2      GLN 110   3.415   8.596   4.508
  843    HB3  GLN 110           HB3      GLN 110   4.465   7.305   5.084
  844    HG2  GLN 110           HG2      GLN 110   3.764   7.953   2.182
  845    HG3  GLN 110           HG3      GLN 110   5.263   8.384   2.991
  846   HE21  GLN 110          HE22      GLN 110   3.907   6.122   0.907
  847   HE22  GLN 110          HE21      GLN 110   4.997   4.789   1.190
  848    H    GLU 111           H        GLU 111   3.307   5.507   6.547
  849    HA   GLU 111           HA       GLU 111   4.519   3.169   5.510
  850    HB2  GLU 111           HB2      GLU 111   3.495   3.994   8.240
  851    HB3  GLU 111           HB3      GLU 111   4.039   2.343   7.984
  852    HG2  GLU 111           HG2      GLU 111   5.693   4.809   7.350
  853    HG3  GLU 111           HG3      GLU 111   5.803   3.886   8.852
  854    H    ALA 112           H        ALA 112   1.142   3.699   6.614
  855    HA   ALA 112           HA       ALA 112   0.289   1.003   6.519
  856    HB1  ALA 112           HB1      ALA 112  -1.296   3.446   5.613
  857    HB2  ALA 112           HB2      ALA 112  -1.953   1.908   6.204
  858    HB3  ALA 112           HB3      ALA 112  -1.075   2.995   7.301
  859    H    ILE 113           H        ILE 113   0.529   3.448   3.935
  860    HA   ILE 113           HA       ILE 113  -0.610   1.779   1.881
  861    HB   ILE 113           HB       ILE 113   0.881   4.417   1.949
  862   HG12  ILE 113          HG12      ILE 113  -2.018   3.839   1.228
  863   HG13  ILE 113          HG13      ILE 113  -1.524   4.050   2.903
  864   HG21  ILE 113          HG21      ILE 113   0.167   4.764  -0.420
  865   HG22  ILE 113          HG22      ILE 113   1.364   3.481  -0.242
  866   HG23  ILE 113          HG23      ILE 113  -0.348   3.064  -0.492
  867   HD11  ILE 113          HD11      ILE 113  -0.552   6.277   2.308
  868   HD12  ILE 113          HD12      ILE 113  -1.355   6.107   0.716
  869   HD13  ILE 113          HD13      ILE 113  -2.314   6.145   2.217
  870    H    ALA 114           H        ALA 114   2.779   2.769   2.666
  871    HA   ALA 114           HA       ALA 114   4.041   1.324   0.594
  872    HB1  ALA 114           HB1      ALA 114   6.049   1.439   2.032
  873    HB2  ALA 114           HB2      ALA 114   5.203   2.994   2.004
  874    HB3  ALA 114           HB3      ALA 114   5.052   1.926   3.416
  875    H    ASP 115           H        ASP 115   3.237   0.335   3.943
  876    HA   ASP 115           HA       ASP 115   4.345  -2.268   3.853
  877    HB2  ASP 115           HB2      ASP 115   3.642  -0.929   5.865
  878    HB3  ASP 115           HB3      ASP 115   1.965  -1.348   5.501
  879    H    TRP 116           H        TRP 116   1.127  -1.062   2.968
  880    HA   TRP 116           HA       TRP 116  -0.051  -3.633   2.425
  881    HB2  TRP 116           HB2      TRP 116  -1.428  -1.691   2.847
  882    HB3  TRP 116           HB3      TRP 116  -0.724  -0.816   1.492
  883    HD1  TRP 116           HD1      TRP 116  -1.988  -0.940  -0.708
  884    HE1  TRP 116           HE1      TRP 116  -3.674  -2.525  -1.817
  885    HE3  TRP 116           HE3      TRP 116  -2.339  -4.488   2.961
  886    HZ2  TRP 116           HZ2      TRP 116  -5.139  -4.888  -1.120
  887    HZ3  TRP 116           HZ3      TRP 116  -3.847  -6.434   2.689
  888    HH2  TRP 116           HH2      TRP 116  -5.245  -6.657   0.640
  889    H    LEU 117           H        LEU 117   1.663  -1.215   0.370
  890    HA   LEU 117           HA       LEU 117   1.312  -2.697  -2.068
  891    HB2  LEU 117           HB2      LEU 117   3.310  -0.563  -1.235
  892    HB3  LEU 117           HB3      LEU 117   3.249  -1.243  -2.857
  893    HG   LEU 117           HG       LEU 117   0.864   0.144  -1.549
  894   HD11  LEU 117          HD11      LEU 117   2.909   1.278  -3.498
  895   HD12  LEU 117          HD12      LEU 117   1.432   2.093  -2.927
  896   HD13  LEU 117          HD13      LEU 117   2.728   1.718  -1.783
  897   HD21  LEU 117          HD21      LEU 117   0.179  -1.350  -3.354
  898   HD22  LEU 117          HD22      LEU 117   0.031   0.327  -3.874
  899   HD23  LEU 117          HD23      LEU 117   1.403  -0.651  -4.439
  900    H    TYR 118           H        TYR 118   3.800  -2.808   0.521
  901    HA   TYR 118           HA       TYR 118   5.498  -4.666  -0.834
  902    HB2  TYR 118           HB2      TYR 118   4.977  -4.423   2.151
  903    HB3  TYR 118           HB3      TYR 118   6.313  -5.269   1.410
  904    HD1  TYR 118           HD2      TYR 118   6.922  -3.052  -0.773
  905    HD2  TYR 118           HD1      TYR 118   6.321  -2.974   3.503
  906    HE1  TYR 118           HE2      TYR 118   8.260  -1.019  -0.637
  907    HE2  TYR 118           HE1      TYR 118   7.535  -0.833   3.630
  908    HH   TYR 118           HH       TYR 118   9.073   0.691   0.753
  909    H    TRP 119           H        TRP 119   2.657  -5.226   1.353
  910    HA   TRP 119           HA       TRP 119   2.730  -8.060   1.142
  911    HB2  TRP 119           HB2      TRP 119   1.455  -7.242   2.854
  912    HB3  TRP 119           HB3      TRP 119   0.689  -6.000   1.880
  913    HD1  TRP 119           HD1      TRP 119  -1.317  -6.710   0.272
  914    HE1  TRP 119           HE1      TRP 119  -3.076  -8.538   0.466
  915    HE3  TRP 119           HE3      TRP 119   1.029  -9.759   3.673
  916    HZ2  TRP 119           HZ2      TRP 119  -3.584 -10.783   2.156
  917    HZ3  TRP 119           HZ3      TRP 119  -0.219 -11.630   4.713
  918    HH2  TRP 119           HH2      TRP 119  -2.565 -12.116   4.015
  919    H    LEU 120           H        LEU 120   1.144  -5.609  -0.980
  920    HA   LEU 120           HA       LEU 120  -0.198  -7.402  -2.682
  921    HB2  LEU 120           HB2      LEU 120  -0.533  -4.960  -2.625
  922    HB3  LEU 120           HB3      LEU 120   1.098  -4.709  -3.232
  923    HG   LEU 120           HG       LEU 120   0.473  -5.821  -5.381
  924   HD11  LEU 120          HD11      LEU 120  -1.447  -7.189  -4.658
  925   HD12  LEU 120          HD12      LEU 120  -2.355  -5.712  -4.225
  926   HD13  LEU 120          HD13      LEU 120  -1.943  -6.056  -5.915
  927   HD21  LEU 120          HD21      LEU 120  -0.889  -3.876  -6.167
  928   HD22  LEU 120          HD22      LEU 120  -1.156  -3.414  -4.468
  929   HD23  LEU 120          HD23      LEU 120   0.479  -3.393  -5.156
  930    H    ALA 121           H        ALA 121   3.149  -6.062  -2.960
  931    HA   ALA 121           HA       ALA 121   3.825  -7.668  -5.251
  932    HB1  ALA 121           HB1      ALA 121   4.965  -5.570  -4.756
  933    HB2  ALA 121           HB2      ALA 121   5.533  -6.205  -3.200
  934    HB3  ALA 121           HB3      ALA 121   6.140  -6.901  -4.719
  935    H    ARG 122           H        ARG 122   3.917  -8.303  -1.772
  936    HA   ARG 122           HA       ARG 122   5.787 -10.455  -1.779
  937    HB2  ARG 122           HB2      ARG 122   5.099  -9.189   0.230
  938    HB3  ARG 122           HB3      ARG 122   3.463  -9.818   0.079
  939    HG2  ARG 122           HG2      ARG 122   4.600 -10.844   1.891
  940    HG3  ARG 122           HG3      ARG 122   4.190 -12.056   0.691
  941    HD2  ARG 122           HD2      ARG 122   6.953 -10.776   0.675
  942    HD3  ARG 122           HD3      ARG 122   6.528 -11.991   1.886
  943    HE   ARG 122           HE       ARG 122   5.919 -12.760  -0.866
  944   HH11  ARG 122          HH21      ARG 122   8.173 -13.130   1.918
  945   HH12  ARG 122          HH22      ARG 122   8.991 -14.468   1.196
  946   HH21  ARG 122          HH11      ARG 122   6.997 -14.559  -1.736
  947   HH22  ARG 122          HH12      ARG 122   8.280 -15.329  -0.883
  948    H    GLY 123           H        GLY 123   2.362 -10.298  -2.618
  949    HA2  GLY 123           HA2      GLY 123   1.629 -11.853  -4.280
  950    HA3  GLY 123           HA3      GLY 123   2.547 -13.146  -3.504
  951    H    TYR 124           H        TYR 124   0.729 -10.995  -1.425
  952    HA   TYR 124           HA       TYR 124  -0.907 -11.247   0.037
  953    HB2  TYR 124           HB2      TYR 124  -1.975 -12.328  -2.498
  954    HB3  TYR 124           HB3      TYR 124  -2.888 -12.777  -1.078
  955    HD1  TYR 124           HD2      TYR 124  -1.181  -9.591  -2.231
  956    HD2  TYR 124           HD1      TYR 124  -4.822 -11.514  -0.926
  957    HE1  TYR 124           HE2      TYR 124  -2.410  -7.478  -2.543
  958    HE2  TYR 124           HE1      TYR 124  -6.064  -9.417  -1.292
  959    HH   TYR 124           HH       TYR 124  -4.524  -6.474  -2.632
  960    H    LYS 125           H        LYS 125  -2.084 -12.561   1.521
  961    HA   LYS 125           HA       LYS 125  -1.587 -15.479   1.501
  962    HB2  LYS 125           HB2      LYS 125  -1.225 -13.899   4.065
  963    HB3  LYS 125           HB3      LYS 125  -0.931 -15.607   3.779
  964    HG2  LYS 125           HG2      LYS 125   0.923 -15.009   2.217
  965    HG3  LYS 125           HG3      LYS 125   0.671 -13.298   2.622
  966    HD2  LYS 125           HD2      LYS 125   1.174 -13.817   5.016
  967    HD3  LYS 125           HD3      LYS 125   1.462 -15.514   4.566
  968    HE2  LYS 125           HE2      LYS 125   3.253 -14.742   2.975
  969    HE3  LYS 125           HE3      LYS 125   3.002 -13.084   3.535
  970    HZ1  LYS 125           HZ1      LYS 125   3.955 -15.349   5.191
  971    HZ2  LYS 125           HZ2      LYS 125   4.856 -14.082   4.675
  972    HZ3  LYS 125           HZ3      LYS 125   3.660 -13.844   5.768
  973    H    PHE 126           H        PHE 126  -3.887 -13.438   1.130
  974    HA   PHE 126           HA       PHE 126  -5.894 -14.020   3.130
  975    HB2  PHE 126           HB2      PHE 126  -6.071 -13.441   0.158
  976    HB3  PHE 126           HB3      PHE 126  -7.483 -13.802   1.135
  977    HD1  PHE 126           HD1      PHE 126  -5.326 -11.787   3.164
  978    HD2  PHE 126           HD2      PHE 126  -8.126 -11.616  -0.109
  979    HE1  PHE 126           HE1      PHE 126  -5.625  -9.364   3.539
  980    HE2  PHE 126           HE2      PHE 126  -8.457  -9.194   0.322
  981    HZ   PHE 126           HZ       PHE 126  -7.174  -8.055   2.112
  Start of MODEL   16
    1    H1   MET   1           H1       MET   1   4.075 -15.272  -4.589
    2    H2   MET   1           H2       MET   1   5.075 -16.464  -5.078
    3    H3   MET   1           H3       MET   1   3.917 -16.773  -3.948
    4    HA   MET   1           HA       MET   1   4.946 -15.245  -2.420
    5    HB2  MET   1           HB2      MET   1   6.795 -16.591  -1.709
    6    HB3  MET   1           HB3      MET   1   5.501 -17.648  -2.246
    7    HG2  MET   1           HG2      MET   1   6.691 -18.025  -4.391
    8    HG3  MET   1           HG3      MET   1   7.993 -16.955  -3.871
    9    HE1  MET   1           HE1      MET   1   9.848 -17.531  -2.179
   10    HE2  MET   1           HE2      MET   1   8.657 -17.706  -0.868
   11    HE3  MET   1           HE3      MET   1   9.865 -18.976  -1.147
   12    H    ALA   2           H        ALA   2   7.010 -14.116  -1.813
   13    HA   ALA   2           HA       ALA   2   8.858 -13.336  -3.880
   14    HB1  ALA   2           HB1      ALA   2   7.158 -11.144  -2.593
   15    HB2  ALA   2           HB2      ALA   2   8.426 -10.935  -3.805
   16    HB3  ALA   2           HB3      ALA   2   6.907 -11.722  -4.252
   17    H    SER   3           H        SER   3  10.382 -11.606  -2.748
   18    HA   SER   3           HA       SER   3  10.692 -12.267   0.147
   19    HB2  SER   3           HB2      SER   3  12.872 -11.672  -1.887
   20    HB3  SER   3           HB3      SER   3  13.088 -12.187  -0.204
   21    HG   SER   3           HG       SER   3  13.301 -13.921  -1.695
   22    H    VAL   4           H        VAL   4   9.210 -10.028  -1.208
   23    HA   VAL   4           HA       VAL   4  10.642  -7.580  -0.743
   24    HB   VAL   4           HB       VAL   4   8.890  -7.740  -2.377
   25   HG11  VAL   4          HG11      VAL   4   6.782  -8.022  -0.216
   26   HG12  VAL   4          HG12      VAL   4   6.573  -8.030  -1.969
   27   HG13  VAL   4          HG13      VAL   4   7.372  -9.385  -1.184
   28   HG21  VAL   4          HG21      VAL   4   9.331  -5.554  -1.369
   29   HG22  VAL   4          HG22      VAL   4   7.633  -5.713  -1.847
   30   HG23  VAL   4          HG23      VAL   4   8.090  -5.854  -0.134
   31    H    GLU   5           H        GLU   5  11.433  -7.260   1.235
   32    HA   GLU   5           HA       GLU   5   9.730  -7.248   3.631
   33    HB2  GLU   5           HB2      GLU   5  12.256  -8.945   3.258
   34    HB3  GLU   5           HB3      GLU   5  11.549  -8.566   4.826
   35    HG2  GLU   5           HG2      GLU   5   9.484  -9.756   4.228
   36    HG3  GLU   5           HG3      GLU   5  10.153 -10.162   2.644
   37    H    ARG   6           H        ARG   6  11.126  -6.295   5.453
   38    HA   ARG   6           HA       ARG   6  13.402  -4.628   4.473
   39    HB2  ARG   6           HB2      ARG   6  11.537  -3.148   4.848
   40    HB3  ARG   6           HB3      ARG   6  11.185  -3.848   6.423
   41    HG2  ARG   6           HG2      ARG   6  13.884  -2.571   5.892
   42    HG3  ARG   6           HG3      ARG   6  12.475  -1.566   6.225
   43    HD2  ARG   6           HD2      ARG   6  12.121  -2.549   8.392
   44    HD3  ARG   6           HD3      ARG   6  13.323  -3.789   8.134
   45    HE   ARG   6           HE       ARG   6  13.754  -1.024   8.894
   46   HH11  ARG   6          HH11      ARG   6  15.389  -3.873   7.448
   47   HH12  ARG   6          HH12      ARG   6  16.958  -3.348   7.935
   48   HH21  ARG   6          HH21      ARG   6  15.857  -0.367   9.497
   49   HH22  ARG   6          HH22      ARG   6  17.231  -1.325   9.103
   50    H    ASP   7           H        ASP   7  11.870  -6.467   7.135
   51    HA   ASP   7           HA       ASP   7  14.285  -7.766   7.870
   52    HB2  ASP   7           HB2      ASP   7  14.686  -5.632   9.114
   53    HB3  ASP   7           HB3      ASP   7  13.074  -5.741   9.822
   54    H    GLU   8           H        GLU   8  13.593  -9.487   9.510
   55    HA   GLU   8           HA       GLU   8  10.989 -10.503   9.062
   56    HB2  GLU   8           HB2      GLU   8  11.507 -12.128  10.777
   57    HB3  GLU   8           HB3      GLU   8  12.897 -11.884   9.719
   58    HG2  GLU   8           HG2      GLU   8  13.905 -10.370  11.463
   59    HG3  GLU   8           HG3      GLU   8  12.541 -10.734  12.524
   60    H    THR   9           H        THR   9  12.031  -8.042  11.344
   61    HA   THR   9           HA       THR   9   9.938  -7.976  13.166
   62    HB   THR   9           HB       THR   9  11.287  -5.726  11.649
   63    HG1  THR   9           HG1      THR   9  12.768  -6.880  12.700
   64   HG21  THR   9          HG21      THR   9   9.337  -4.771  12.746
   65   HG22  THR   9          HG22      THR   9   9.742  -5.593  14.272
   66   HG23  THR   9          HG23      THR   9  10.792  -4.304  13.625
   67    H    ARG  10           H        ARG  10   9.767  -7.104   9.654
   68    HA   ARG  10           HA       ARG  10   7.172  -5.858   9.808
   69    HB2  ARG  10           HB2      ARG  10   8.654  -7.294   7.553
   70    HB3  ARG  10           HB3      ARG  10   7.091  -6.523   7.322
   71    HG2  ARG  10           HG2      ARG  10   9.475  -4.975   8.414
   72    HG3  ARG  10           HG3      ARG  10   9.192  -5.180   6.680
   73    HD2  ARG  10           HD2      ARG  10   7.113  -4.056   6.739
   74    HD3  ARG  10           HD3      ARG  10   7.049  -4.049   8.511
   75    HE   ARG  10           HE       ARG  10   9.347  -2.669   7.977
   76   HH11  ARG  10          HH11      ARG  10   5.943  -2.253   6.927
   77   HH12  ARG  10          HH12      ARG  10   6.099  -0.486   6.920
   78   HH21  ARG  10          HH21      ARG  10   9.428  -0.342   7.897
   79   HH22  ARG  10          HH22      ARG  10   7.993   0.555   7.485
   80    H    GLU  11           H        GLU  11   8.198  -9.219   9.083
   81    HA   GLU  11           HA       GLU  11   5.595 -10.273   8.754
   82    HB2  GLU  11           HB2      GLU  11   8.030 -11.756   9.840
   83    HB3  GLU  11           HB3      GLU  11   6.632 -12.448   9.024
   84    HG2  GLU  11           HG2      GLU  11   8.783 -10.666   7.803
   85    HG3  GLU  11           HG3      GLU  11   8.536 -12.384   7.517
   86    H    HIS  12           H        HIS  12   7.677  -9.966  11.668
   87    HA   HIS  12           HA       HIS  12   5.885 -11.317  13.433
   88    HB2  HIS  12           HB2      HIS  12   8.078  -9.273  13.934
   89    HB3  HIS  12           HB3      HIS  12   7.127  -9.995  15.226
   90    HD1  HIS  12           HD1      HIS  12   9.483 -11.244  12.399
   91    HD2  HIS  12           HD2      HIS  12   7.884 -12.310  16.144
   92    HE1  HIS  12           HE1      HIS  12  10.645 -13.414  13.088
   93    H    ARG  13           H        ARG  13   6.078  -7.796  12.546
   94    HA   ARG  13           HA       ARG  13   3.970  -7.167  14.463
   95    HB2  ARG  13           HB2      ARG  13   5.172  -5.531  12.208
   96    HB3  ARG  13           HB3      ARG  13   3.994  -4.927  13.376
   97    HG2  ARG  13           HG2      ARG  13   6.782  -5.972  14.047
   98    HG3  ARG  13           HG3      ARG  13   6.304  -4.287  13.990
   99    HD2  ARG  13           HD2      ARG  13   5.205  -6.365  15.947
  100    HD3  ARG  13           HD3      ARG  13   6.493  -5.225  16.284
  101    HE   ARG  13           HE       ARG  13   4.905  -3.384  15.843
  102   HH11  ARG  13          HH11      ARG  13   3.426  -6.545  16.881
  103   HH12  ARG  13          HH12      ARG  13   2.106  -5.683  17.632
  104   HH21  ARG  13          HH21      ARG  13   3.063  -2.467  16.887
  105   HH22  ARG  13          HH22      ARG  13   1.893  -3.548  17.618
  106    H    ILE  14           H        ILE  14   3.983  -7.969  10.983
  107    HA   ILE  14           HA       ILE  14   1.201  -7.499  10.539
  108    HB   ILE  14           HB       ILE  14   3.225  -9.449   9.390
  109   HG12  ILE  14          HG12      ILE  14   1.799  -7.130   8.025
  110   HG13  ILE  14          HG13      ILE  14   3.300  -6.910   8.908
  111   HG21  ILE  14          HG21      ILE  14   1.596 -10.024   7.612
  112   HG22  ILE  14          HG22      ILE  14   1.079 -10.586   9.191
  113   HG23  ILE  14          HG23      ILE  14   0.332  -9.129   8.487
  114   HD11  ILE  14          HD11      ILE  14   2.916  -8.649   6.438
  115   HD12  ILE  14          HD12      ILE  14   3.812  -7.130   6.569
  116   HD13  ILE  14          HD13      ILE  14   4.411  -8.577   7.401
  117    H    GLU  15           H        GLU  15   2.933 -10.440  11.705
  118    HA   GLU  15           HA       GLU  15   0.629 -11.946  12.179
  119    HB2  GLU  15           HB2      GLU  15   2.878 -12.876  12.039
  120    HB3  GLU  15           HB3      GLU  15   3.359 -12.061  13.533
  121    HG2  GLU  15           HG2      GLU  15   1.770 -13.394  14.831
  122    HG3  GLU  15           HG3      GLU  15   1.126 -14.126  13.356
  123    H    THR  16           H        THR  16   2.425  -9.830  14.517
  124    HA   THR  16           HA       THR  16   0.632 -10.643  16.639
  125    HB   THR  16           HB       THR  16   1.991  -9.006  18.001
  126    HG1  THR  16           HG1      THR  16   3.665  -8.939  15.725
  127   HG21  THR  16          HG21      THR  16   3.501 -11.154  16.447
  128   HG22  THR  16          HG22      THR  16   4.030 -10.397  17.968
  129   HG23  THR  16          HG23      THR  16   2.557 -11.380  17.931
  130    H    GLU  17           H        GLU  17   0.424  -8.024  14.347
  131    HA   GLU  17           HA       GLU  17  -1.540  -6.675  16.144
  132    HB2  GLU  17           HB2      GLU  17   0.917  -5.718  15.537
  133    HB3  GLU  17           HB3      GLU  17   0.049  -5.111  14.139
  134    HG2  GLU  17           HG2      GLU  17   0.056  -3.414  15.845
  135    HG3  GLU  17           HG3      GLU  17  -1.594  -4.005  15.700
  136    H    ILE  18           H        ILE  18  -1.189  -8.083  12.983
  137    HA   ILE  18           HA       ILE  18  -3.541  -6.489  12.046
  138    HB   ILE  18           HB       ILE  18  -1.454  -7.806  10.286
  139   HG12  ILE  18          HG12      ILE  18  -1.562  -4.949  11.348
  140   HG13  ILE  18          HG13      ILE  18  -0.273  -6.118  11.589
  141   HG21  ILE  18          HG21      ILE  18  -2.429  -6.425   8.536
  142   HG22  ILE  18          HG22      ILE  18  -3.717  -7.337   9.300
  143   HG23  ILE  18          HG23      ILE  18  -3.499  -5.628   9.712
  144   HD11  ILE  18          HD11      ILE  18   0.527  -4.606   9.960
  145   HD12  ILE  18          HD12      ILE  18   0.105  -6.086   9.072
  146   HD13  ILE  18          HD13      ILE  18  -0.971  -4.676   9.017
  147    H    ILE  19           H        ILE  19  -2.060  -9.799  11.957
  148    HA   ILE  19           HA       ILE  19  -4.790 -10.859  11.375
  149    HB   ILE  19           HB       ILE  19  -3.660 -12.460   9.906
  150   HG12  ILE  19          HG12      ILE  19  -1.220 -10.658   9.981
  151   HG13  ILE  19          HG13      ILE  19  -1.373 -11.990  11.137
  152   HG21  ILE  19          HG21      ILE  19  -4.751 -10.353   9.055
  153   HG22  ILE  19          HG22      ILE  19  -3.157  -9.579   9.047
  154   HG23  ILE  19          HG23      ILE  19  -3.464 -10.980   8.015
  155   HD11  ILE  19          HD11      ILE  19  -1.476 -12.256   8.129
  156   HD12  ILE  19          HD12      ILE  19  -0.133 -12.729   9.209
  157   HD13  ILE  19          HD13      ILE  19  -1.700 -13.571   9.313
  158    H    VAL  20           H        VAL  20  -3.303 -10.752  14.029
  159    HA   VAL  20           HA       VAL  20  -2.088 -13.037  14.735
  160    HB   VAL  20           HB       VAL  20  -2.371 -10.975  16.090
  161   HG11  VAL  20          HG11      VAL  20  -4.219 -10.721  17.649
  162   HG12  VAL  20          HG12      VAL  20  -4.849 -10.761  15.997
  163   HG13  VAL  20          HG13      VAL  20  -4.996 -12.195  17.040
  164   HG21  VAL  20          HG21      VAL  20  -1.331 -12.999  17.044
  165   HG22  VAL  20          HG22      VAL  20  -2.188 -12.050  18.271
  166   HG23  VAL  20          HG23      VAL  20  -2.920 -13.540  17.633
  167    H    ASP  21           H        ASP  21  -5.654 -12.807  14.633
  168    HA   ASP  21           HA       ASP  21  -5.810 -15.689  15.371
  169    HB2  ASP  21           HB2      ASP  21  -6.868 -14.080  16.919
  170    HB3  ASP  21           HB3      ASP  21  -7.895 -13.498  15.607
  171    H    ALA  22           H        ALA  22  -5.490 -14.025  12.717
  172    HA   ALA  22           HA       ALA  22  -7.928 -14.799  11.247
  173    HB1  ALA  22           HB1      ALA  22  -7.504 -12.395  11.329
  174    HB2  ALA  22           HB2      ALA  22  -5.880 -12.659  10.638
  175    HB3  ALA  22           HB3      ALA  22  -7.313 -13.056   9.691
  176    H    GLU  23           H        GLU  23  -7.775 -16.236   9.861
  177    HA   GLU  23           HA       GLU  23  -5.550 -16.624   8.038
  178    HB2  GLU  23           HB2      GLU  23  -4.796 -18.644   8.517
  179    HB3  GLU  23           HB3      GLU  23  -4.995 -17.914  10.110
  180    HG2  GLU  23           HG2      GLU  23  -6.922 -19.911   8.890
  181    HG3  GLU  23           HG3      GLU  23  -5.547 -20.364   9.886
  182    H    ASP  24           H        ASP  24  -8.808 -17.006   8.841
  183    HA   ASP  24           HA       ASP  24  -9.555 -18.559   6.463
  184    HB2  ASP  24           HB2      ASP  24 -11.238 -16.889   8.373
  185    HB3  ASP  24           HB3      ASP  24 -11.827 -17.941   7.100
  186    H    LYS  25           H        LYS  25 -10.120 -17.414   4.534
  187    HA   LYS  25           HA       LYS  25  -8.546 -15.186   4.085
  188    HB2  LYS  25           HB2      LYS  25  -9.320 -15.035   1.906
  189    HB3  LYS  25           HB3      LYS  25  -9.355 -16.736   2.307
  190    HG2  LYS  25           HG2      LYS  25 -11.777 -14.868   2.240
  191    HG3  LYS  25           HG3      LYS  25 -11.271 -15.890   0.915
  192    HD2  LYS  25           HD2      LYS  25 -12.188 -16.951   3.622
  193    HD3  LYS  25           HD3      LYS  25 -13.197 -16.784   2.185
  194    HE2  LYS  25           HE2      LYS  25 -11.665 -18.289   0.920
  195    HE3  LYS  25           HE3      LYS  25 -10.698 -18.531   2.376
  196    HZ1  LYS  25           HZ1      LYS  25 -12.285 -20.317   2.058
  197    HZ2  LYS  25           HZ2      LYS  25 -12.673 -19.519   3.423
  198    HZ3  LYS  25           HZ3      LYS  25 -13.548 -19.293   2.061
  199    H    GLU  26           H        GLU  26 -11.956 -15.099   5.016
  200    HA   GLU  26           HA       GLU  26 -12.365 -12.324   4.391
  201    HB2  GLU  26           HB2      GLU  26 -13.786 -14.130   6.404
  202    HB3  GLU  26           HB3      GLU  26 -14.355 -12.553   5.844
  203    HG2  GLU  26           HG2      GLU  26 -14.477 -13.455   3.510
  204    HG3  GLU  26           HG3      GLU  26 -13.990 -15.037   4.112
  205    H    GLU  27           H        GLU  27 -11.104 -14.111   7.236
  206    HA   GLU  27           HA       GLU  27 -11.237 -11.864   9.055
  207    HB2  GLU  27           HB2      GLU  27  -9.390 -14.270   9.100
  208    HB3  GLU  27           HB3      GLU  27  -9.742 -13.183  10.446
  209    HG2  GLU  27           HG2      GLU  27 -12.028 -13.958  10.569
  210    HG3  GLU  27           HG3      GLU  27 -11.812 -14.975   9.137
  211    H    ARG  28           H        ARG  28  -8.638 -13.383   6.996
  212    HA   ARG  28           HA       ARG  28  -6.692 -11.454   7.909
  213    HB2  ARG  28           HB2      ARG  28  -6.701 -13.173   5.390
  214    HB3  ARG  28           HB3      ARG  28  -5.390 -12.055   5.852
  215    HG2  ARG  28           HG2      ARG  28  -5.233 -13.195   8.063
  216    HG3  ARG  28           HG3      ARG  28  -6.346 -14.436   7.462
  217    HD2  ARG  28           HD2      ARG  28  -4.746 -15.198   5.841
  218    HD3  ARG  28           HD3      ARG  28  -3.742 -13.750   6.038
  219    HE   ARG  28           HE       ARG  28  -3.939 -14.938   8.571
  220   HH11  ARG  28          HH11      ARG  28  -2.477 -15.847   5.431
  221   HH12  ARG  28          HH12      ARG  28  -1.352 -16.936   6.163
  222   HH21  ARG  28          HH21      ARG  28  -2.463 -16.326   9.487
  223   HH22  ARG  28          HH22      ARG  28  -1.317 -17.191   8.530
  224    H    ALA  29           H        ALA  29  -8.956 -11.328   5.099
  225    HA   ALA  29           HA       ALA  29  -8.074  -8.852   4.101
  226    HB1  ALA  29           HB1      ALA  29 -10.329  -8.663   3.153
  227    HB2  ALA  29           HB2      ALA  29  -9.691 -10.310   2.963
  228    HB3  ALA  29           HB3      ALA  29 -10.901  -9.979   4.215
  229    H    MET  30           H        MET  30 -10.572  -9.473   6.666
  230    HA   MET  30           HA       MET  30 -10.989  -6.679   7.120
  231    HB2  MET  30           HB2      MET  30 -11.628  -9.104   8.830
  232    HB3  MET  30           HB3      MET  30 -12.141  -7.456   9.202
  233    HG2  MET  30           HG2      MET  30 -12.922  -9.053   6.732
  234    HG3  MET  30           HG3      MET  30 -13.928  -8.666   8.113
  235    HE1  MET  30           HE1      MET  30 -11.764  -6.690   5.188
  236    HE2  MET  30           HE2      MET  30 -12.963  -7.866   4.614
  237    HE3  MET  30           HE3      MET  30 -13.226  -6.126   4.383
  238    H    GLY  31           H        GLY  31  -8.736  -8.976   8.705
  239    HA2  GLY  31           HA2      GLY  31  -7.923  -7.312  10.836
  240    HA3  GLY  31           HA3      GLY  31  -6.951  -8.573  10.042
  241    H    TRP  32           H        TRP  32  -6.585  -7.681   7.491
  242    HA   TRP  32           HA       TRP  32  -4.716  -5.546   7.684
  243    HB2  TRP  32           HB2      TRP  32  -6.060  -6.977   5.396
  244    HB3  TRP  32           HB3      TRP  32  -5.188  -5.480   5.094
  245    HD1  TRP  32           HD1      TRP  32  -4.556  -9.097   5.988
  246    HE1  TRP  32           HE1      TRP  32  -2.050  -9.595   5.775
  247    HE3  TRP  32           HE3      TRP  32  -2.844  -4.345   5.384
  248    HZ2  TRP  32           HZ2      TRP  32   0.431  -8.039   5.920
  249    HZ3  TRP  32           HZ3      TRP  32  -0.404  -3.861   5.354
  250    HH2  TRP  32           HH2      TRP  32   1.233  -5.712   5.608
  251    H    TYR  33           H        TYR  33  -8.139  -5.546   6.516
  252    HA   TYR  33           HA       TYR  33  -8.197  -2.892   5.675
  253    HB2  TYR  33           HB2      TYR  33  -9.990  -4.470   5.176
  254    HB3  TYR  33           HB3      TYR  33 -10.419  -4.580   6.878
  255    HD1  TYR  33           HD2      TYR  33 -10.526  -2.400   3.885
  256    HD2  TYR  33           HD1      TYR  33 -11.683  -2.840   8.011
  257    HE1  TYR  33           HE2      TYR  33 -12.078  -0.490   3.653
  258    HE2  TYR  33           HE1      TYR  33 -13.146  -0.864   7.826
  259    HH   TYR  33           HH       TYR  33 -13.689   0.793   4.669
  260    H    TYR  34           H        TYR  34  -9.190  -4.050   8.986
  261    HA   TYR  34           HA       TYR  34  -9.826  -1.342   9.726
  262    HB2  TYR  34           HB2      TYR  34  -9.563  -3.891  11.352
  263    HB3  TYR  34           HB3      TYR  34 -10.018  -2.340  12.047
  264    HD1  TYR  34           HD2      TYR  34 -12.000  -1.041  10.855
  265    HD2  TYR  34           HD1      TYR  34 -11.323  -5.289  10.519
  266    HE1  TYR  34           HE2      TYR  34 -14.365  -1.358  10.224
  267    HE2  TYR  34           HE1      TYR  34 -13.687  -5.613   9.845
  268    HH   TYR  34           HH       TYR  34 -16.018  -2.884   9.623
  269    H    TYR  35           H        TYR  35  -6.863  -3.325  10.116
  270    HA   TYR  35           HA       TYR  35  -5.554  -1.412  11.857
  271    HB2  TYR  35           HB2      TYR  35  -4.828  -3.779  11.585
  272    HB3  TYR  35           HB3      TYR  35  -4.477  -3.485   9.886
  273    HD1  TYR  35           HD1      TYR  35  -3.386  -2.819  13.371
  274    HD2  TYR  35           HD2      TYR  35  -2.458  -2.315   9.185
  275    HE1  TYR  35           HE1      TYR  35  -1.082  -2.137  13.965
  276    HE2  TYR  35           HE2      TYR  35  -0.157  -1.636   9.766
  277    HH   TYR  35           HH       TYR  35   1.375  -1.262  11.490
  278    H    LEU  36           H        LEU  36  -5.815  -1.785   8.260
  279    HA   LEU  36           HA       LEU  36  -3.981   0.299   7.642
  280    HB2  LEU  36           HB2      LEU  36  -6.036  -1.295   6.175
  281    HB3  LEU  36           HB3      LEU  36  -5.809   0.330   5.574
  282    HG   LEU  36           HG       LEU  36  -3.542   0.052   5.102
  283   HD11  LEU  36          HD11      LEU  36  -3.594  -2.600   6.571
  284   HD12  LEU  36          HD12      LEU  36  -2.285  -2.082   5.471
  285   HD13  LEU  36          HD13      LEU  36  -2.601  -1.178   6.939
  286   HD21  LEU  36          HD21      LEU  36  -3.658  -1.746   3.431
  287   HD22  LEU  36          HD22      LEU  36  -4.963  -2.541   4.335
  288   HD23  LEU  36          HD23      LEU  36  -5.240  -0.973   3.555
  289    H    ASP  37           H        ASP  37  -7.631   0.351   7.998
  290    HA   ASP  37           HA       ASP  37  -7.798   3.176   7.646
  291    HB2  ASP  37           HB2      ASP  37  -9.907   1.963   8.013
  292    HB3  ASP  37           HB3      ASP  37  -9.387   1.448   9.609
  293    H    ASP  38           H        ASP  38  -7.088   1.238  10.675
  294    HA   ASP  38           HA       ASP  38  -7.229   3.670  11.904
  295    HB2  ASP  38           HB2      ASP  38  -7.515   1.579  13.160
  296    HB3  ASP  38           HB3      ASP  38  -5.750   1.523  13.335
  297    H    THR  39           H        THR  39  -4.610   2.383  10.184
  298    HA   THR  39           HA       THR  39  -2.514   3.956  11.552
  299    HB   THR  39           HB       THR  39  -2.490   2.307   8.985
  300    HG1  THR  39           HG1      THR  39  -3.007   0.968  10.658
  301   HG21  THR  39          HG21      THR  39  -0.201   3.044  10.851
  302   HG22  THR  39          HG22      THR  39  -0.092   2.288   9.244
  303   HG23  THR  39          HG23      THR  39  -0.629   3.976   9.406
  304    H    LEU  40           H        LEU  40  -4.327   3.977   8.445
  305    HA   LEU  40           HA       LEU  40  -3.233   6.358   7.352
  306    HB2  LEU  40           HB2      LEU  40  -6.015   5.183   7.065
  307    HB3  LEU  40           HB3      LEU  40  -5.302   6.400   6.010
  308    HG   LEU  40           HG       LEU  40  -4.051   3.649   6.306
  309   HD11  LEU  40          HD11      LEU  40  -5.317   2.931   4.320
  310   HD12  LEU  40          HD12      LEU  40  -6.426   3.366   5.620
  311   HD13  LEU  40          HD13      LEU  40  -6.170   4.490   4.267
  312   HD21  LEU  40          HD21      LEU  40  -3.219   4.058   4.036
  313   HD22  LEU  40          HD22      LEU  40  -3.904   5.691   4.070
  314   HD23  LEU  40          HD23      LEU  40  -2.608   5.223   5.205
  315    H    GLU  41           H        GLU  41  -3.771   8.488   7.662
  316    HA   GLU  41           HA       GLU  41  -6.085   9.212   9.401
  317    HB2  GLU  41           HB2      GLU  41  -3.295  10.412   9.254
  318    HB3  GLU  41           HB3      GLU  41  -4.656  11.207  10.053
  319    HG2  GLU  41           HG2      GLU  41  -3.644   8.435  10.800
  320    HG3  GLU  41           HG3      GLU  41  -3.131   9.921  11.583
  321    H    PHE  42           H        PHE  42  -6.686   8.749   6.935
  322    HA   PHE  42           HA       PHE  42  -6.498  10.879   5.058
  323    HB2  PHE  42           HB2      PHE  42  -8.526   9.719   4.069
  324    HB3  PHE  42           HB3      PHE  42  -7.099   8.750   4.270
  325    HD1  PHE  42           HD1      PHE  42 -10.320   9.574   6.059
  326    HD2  PHE  42           HD2      PHE  42  -7.340   6.597   5.118
  327    HE1  PHE  42           HE1      PHE  42 -11.712   7.833   7.137
  328    HE2  PHE  42           HE2      PHE  42  -8.726   4.867   6.226
  329    HZ   PHE  42           HZ       PHE  42 -10.928   5.477   7.209
  330    HA   PRO  43           HA       PRO  43  -8.638  11.680   3.398
  331    HB2  PRO  43           HB2      PRO  43  -8.765  14.678   3.605
  332    HB3  PRO  43           HB3      PRO  43  -9.581  13.593   2.439
  333    HG2  PRO  43           HG2      PRO  43 -10.947  14.662   4.528
  334    HG3  PRO  43           HG3      PRO  43 -11.205  12.950   4.063
  335    HD2  PRO  43           HD2      PRO  43  -9.478  14.051   6.294
  336    HD3  PRO  43           HD3      PRO  43 -10.611  12.668   6.322
  337    H    PHE  44           H        PHE  44  -6.955  12.124   1.878
  338    HA   PHE  44           HA       PHE  44  -4.793  13.944   2.564
  339    HB2  PHE  44           HB2      PHE  44  -2.997  12.339   2.406
  340    HB3  PHE  44           HB3      PHE  44  -4.025  11.946   3.764
  341    HD1  PHE  44           HD1      PHE  44  -3.031  10.933   0.334
  342    HD2  PHE  44           HD2      PHE  44  -5.046   9.749   3.929
  343    HE1  PHE  44           HE1      PHE  44  -3.136   8.625  -0.513
  344    HE2  PHE  44           HE2      PHE  44  -5.198   7.426   3.077
  345    HZ   PHE  44           HZ       PHE  44  -4.233   6.846   0.858
  346    H    MET  45           H        MET  45  -3.205  14.038   0.634
  347    HA   MET  45           HA       MET  45  -4.756  13.782  -1.888
  348    HB2  MET  45           HB2      MET  45  -3.698  15.956  -1.253
  349    HB3  MET  45           HB3      MET  45  -2.118  15.158  -1.193
  350    HG2  MET  45           HG2      MET  45  -2.408  14.565  -3.627
  351    HG3  MET  45           HG3      MET  45  -3.884  15.536  -3.639
  352    HE1  MET  45           HE1      MET  45  -1.452  15.710  -5.553
  353    HE2  MET  45           HE2      MET  45  -2.812  16.840  -5.718
  354    HE3  MET  45           HE3      MET  45  -1.143  17.459  -5.716
  355    H    GLY  46           H        GLY  46  -4.025  12.393  -3.607
  356    HA2  GLY  46           HA2      GLY  46  -1.361  11.187  -3.358
  357    HA3  GLY  46           HA3      GLY  46  -2.727  10.063  -3.311
  358    H    LYS  47           H        LYS  47  -1.006   9.669  -5.235
  359    HA   LYS  47           HA       LYS  47  -2.321  10.703  -7.710
  360    HB2  LYS  47           HB2      LYS  47   0.353  10.622  -7.279
  361    HB3  LYS  47           HB3      LYS  47   0.149   8.939  -7.689
  362    HG2  LYS  47           HG2      LYS  47   0.550   9.796  -9.782
  363    HG3  LYS  47           HG3      LYS  47  -1.200   9.871  -9.776
  364    HD2  LYS  47           HD2      LYS  47  -0.478  12.004 -10.611
  365    HD3  LYS  47           HD3      LYS  47  -0.992  12.291  -8.959
  366    HE2  LYS  47           HE2      LYS  47   1.040  13.502  -9.266
  367    HE3  LYS  47           HE3      LYS  47   1.413  12.142  -8.211
  368    HZ1  LYS  47           HZ1      LYS  47   2.339  10.987 -10.213
  369    HZ2  LYS  47           HZ2      LYS  47   2.048  12.342 -11.098
  370    HZ3  LYS  47           HZ3      LYS  47   3.107  12.387  -9.869
  371    H    TRP  48           H        TRP  48  -3.782   9.311  -8.612
  372    HA   TRP  48           HA       TRP  48  -3.822   6.452  -7.776
  373    HB2  TRP  48           HB2      TRP  48  -6.006   7.639  -7.972
  374    HB3  TRP  48           HB3      TRP  48  -5.656   8.015  -9.645
  375    HD1  TRP  48           HD1      TRP  48  -4.505   4.589  -9.195
  376    HE1  TRP  48           HE1      TRP  48  -6.121   2.875  -9.990
  377    HE3  TRP  48           HE3      TRP  48  -8.647   7.586  -9.463
  378    HZ2  TRP  48           HZ2      TRP  48  -9.003   2.744 -10.573
  379    HZ3  TRP  48           HZ3      TRP  48 -10.828   6.622 -10.132
  380    HH2  TRP  48           HH2      TRP  48 -11.022   4.204 -10.672
  381    H    LYS  49           H        LYS  49  -2.287   5.280  -8.857
  382    HA   LYS  49           HA       LYS  49  -1.124   6.393 -11.366
  383    HB2  LYS  49           HB2      LYS  49  -0.245   4.138  -9.508
  384    HB3  LYS  49           HB3      LYS  49   0.629   4.665 -10.951
  385    HG2  LYS  49           HG2      LYS  49   0.862   6.960  -9.941
  386    HG3  LYS  49           HG3      LYS  49   0.044   6.368  -8.490
  387    HD2  LYS  49           HD2      LYS  49   2.161   6.033  -7.764
  388    HD3  LYS  49           HD3      LYS  49   1.943   4.496  -8.573
  389    HE2  LYS  49           HE2      LYS  49   4.024   5.175  -9.296
  390    HE3  LYS  49           HE3      LYS  49   3.002   5.675 -10.651
  391    HZ1  LYS  49           HZ1      LYS  49   4.651   7.355  -9.866
  392    HZ2  LYS  49           HZ2      LYS  49   3.142   7.955  -9.847
  393    HZ3  LYS  49           HZ3      LYS  49   3.863   7.473  -8.436
  394    H    LYS  50           H        LYS  50  -3.333   5.939 -12.333
  395    HA   LYS  50           HA       LYS  50  -4.331   3.217 -12.268
  396    HB2  LYS  50           HB2      LYS  50  -5.669   5.412 -12.404
  397    HB3  LYS  50           HB3      LYS  50  -5.209   5.480 -14.113
  398    HG2  LYS  50           HG2      LYS  50  -6.310   3.274 -14.477
  399    HG3  LYS  50           HG3      LYS  50  -6.701   3.183 -12.751
  400    HD2  LYS  50           HD2      LYS  50  -8.078   5.246 -12.959
  401    HD3  LYS  50           HD3      LYS  50  -7.704   5.308 -14.698
  402    HE2  LYS  50           HE2      LYS  50  -8.738   3.059 -14.986
  403    HE3  LYS  50           HE3      LYS  50  -9.115   3.011 -13.260
  404    HZ1  LYS  50           HZ1      LYS  50 -11.020   3.712 -14.558
  405    HZ2  LYS  50           HZ2      LYS  50 -10.557   4.939 -13.589
  406    HZ3  LYS  50           HZ3      LYS  50 -10.212   4.975 -15.190
  407    H    LYS  51           H        LYS  51  -4.064   1.585 -13.906
  408    HA   LYS  51           HA       LYS  51  -2.015   1.935 -15.900
  409    HB2  LYS  51           HB2      LYS  51  -4.319  -0.057 -15.714
  410    HB3  LYS  51           HB3      LYS  51  -3.084  -0.080 -16.980
  411    HG2  LYS  51           HG2      LYS  51  -1.300  -0.347 -15.282
  412    HG3  LYS  51           HG3      LYS  51  -2.506  -0.293 -13.991
  413    HD2  LYS  51           HD2      LYS  51  -1.898  -2.583 -14.365
  414    HD3  LYS  51           HD3      LYS  51  -3.567  -2.354 -14.904
  415    HE2  LYS  51           HE2      LYS  51  -2.777  -2.202 -17.264
  416    HE3  LYS  51           HE3      LYS  51  -1.105  -2.391 -16.716
  417    HZ1  LYS  51           HZ1      LYS  51  -1.693  -4.601 -15.903
  418    HZ2  LYS  51           HZ2      LYS  51  -3.239  -4.425 -16.403
  419    HZ3  LYS  51           HZ3      LYS  51  -2.030  -4.483 -17.492
  420    H    SER  52           H        SER  52  -2.150   2.499 -18.078
  421    HA   SER  52           HA       SER  52  -4.108   4.350 -18.899
  422    HB2  SER  52           HB2      SER  52  -2.243   2.594 -20.535
  423    HB3  SER  52           HB3      SER  52  -3.055   4.055 -21.130
  424    HG   SER  52           HG       SER  52  -0.817   4.182 -20.322
  425    H    ARG  53           H        ARG  53  -5.637   4.184 -20.663
  426    HA   ARG  53           HA       ARG  53  -7.572   2.257 -20.128
  427    HB2  ARG  53           HB2      ARG  53  -8.047   4.485 -21.009
  428    HB3  ARG  53           HB3      ARG  53  -7.214   4.118 -22.518
  429    HG2  ARG  53           HG2      ARG  53  -9.646   4.093 -22.799
  430    HG3  ARG  53           HG3      ARG  53  -8.939   2.527 -23.166
  431    HD2  ARG  53           HD2      ARG  53  -9.622   1.772 -20.811
  432    HD3  ARG  53           HD3      ARG  53 -10.432   3.325 -20.628
  433    HE   ARG  53           HE       ARG  53 -12.127   2.627 -22.006
  434   HH11  ARG  53          HH11      ARG  53  -9.456   0.268 -22.300
  435   HH12  ARG  53          HH12      ARG  53 -10.429  -0.909 -23.109
  436   HH21  ARG  53          HH21      ARG  53 -13.380   1.059 -23.111
  437   HH22  ARG  53          HH22      ARG  53 -12.690  -0.442 -23.597
  438    H    LYS  54           H        LYS  54  -4.994   2.047 -22.562
  439    HA   LYS  54           HA       LYS  54  -5.993  -0.642 -23.318
  440    HB2  LYS  54           HB2      LYS  54  -5.874  -0.101 -25.704
  441    HB3  LYS  54           HB3      LYS  54  -7.057   0.898 -24.872
  442    HG2  LYS  54           HG2      LYS  54  -5.468   2.806 -24.846
  443    HG3  LYS  54           HG3      LYS  54  -4.246   1.804 -25.649
  444    HD2  LYS  54           HD2      LYS  54  -5.748   1.532 -27.603
  445    HD3  LYS  54           HD3      LYS  54  -6.974   2.538 -26.797
  446    HE2  LYS  54           HE2      LYS  54  -5.365   4.432 -26.722
  447    HE3  LYS  54           HE3      LYS  54  -4.144   3.432 -27.519
  448    HZ1  LYS  54           HZ1      LYS  54  -5.603   3.309 -29.455
  449    HZ2  LYS  54           HZ2      LYS  54  -6.733   4.233 -28.718
  450    HZ3  LYS  54           HZ3      LYS  54  -5.279   4.862 -29.092
  451    H    THR  55           H        THR  55  -3.470   0.667 -21.925
  452    HA   THR  55           HA       THR  55  -1.478  -0.981 -23.322
  453    HB   THR  55           HB       THR  55   0.104   1.090 -23.107
  454    HG1  THR  55           HG1      THR  55  -0.870   2.768 -22.404
  455   HG21  THR  55          HG21      THR  55  -0.355   1.854 -25.348
  456   HG22  THR  55          HG22      THR  55  -0.587   0.100 -25.286
  457   HG23  THR  55          HG23      THR  55  -1.996   1.185 -25.307
  458    H    SER  56           H        SER  56   0.479  -1.252 -21.989
  459    HA   SER  56           HA       SER  56  -0.124  -1.617 -19.218
  460    HB2  SER  56           HB2      SER  56   2.566  -1.787 -20.630
  461    HB3  SER  56           HB3      SER  56   2.072  -2.623 -19.147
  462    HG   SER  56           HG       SER  56   1.966  -3.976 -21.000
  463    H    THR  57           H        THR  57   0.566   1.297 -20.682
  464    HA   THR  57           HA       THR  57   2.552   2.384 -18.885
  465    HB   THR  57           HB       THR  57   1.688   4.527 -20.071
  466    HG1  THR  57           HG1      THR  57   0.564   4.104 -21.984
  467   HG21  THR  57          HG21      THR  57   3.750   3.308 -20.727
  468   HG22  THR  57          HG22      THR  57   2.785   2.242 -21.774
  469   HG23  THR  57          HG23      THR  57   2.903   3.979 -22.129
  470    H    ILE  58           H        ILE  58   1.669   4.695 -17.905
  471    HA   ILE  58           HA       ILE  58  -0.580   3.979 -16.080
  472    HB   ILE  58           HB       ILE  58   2.139   5.135 -15.412
  473   HG12  ILE  58          HG12      ILE  58   2.142   2.655 -15.734
  474   HG13  ILE  58          HG13      ILE  58   2.602   3.183 -14.128
  475   HG21  ILE  58          HG21      ILE  58  -0.236   4.679 -13.575
  476   HG22  ILE  58          HG22      ILE  58   1.407   5.123 -13.043
  477   HG23  ILE  58          HG23      ILE  58   0.455   6.235 -14.027
  478   HD11  ILE  58          HD11      ILE  58   0.452   2.479 -13.214
  479   HD12  ILE  58          HD12      ILE  58  -0.149   2.098 -14.844
  480   HD13  ILE  58          HD13      ILE  58   1.172   1.157 -14.139
  481    H    GLU  59           H        GLU  59  -2.067   5.455 -16.003
  482    HA   GLU  59           HA       GLU  59  -1.660   8.240 -16.951
  483    HB2  GLU  59           HB2      GLU  59  -4.104   6.502 -16.362
  484    HB3  GLU  59           HB3      GLU  59  -4.213   8.255 -16.536
  485    HG2  GLU  59           HG2      GLU  59  -3.076   6.433 -18.697
  486    HG3  GLU  59           HG3      GLU  59  -4.769   6.889 -18.602
  487    H    GLU  60           H        GLU  60  -0.483   9.058 -15.234
  488    HA   GLU  60           HA       GLU  60  -1.182   8.530 -12.453
  489    HB2  GLU  60           HB2      GLU  60   0.745  10.456 -13.821
  490    HB3  GLU  60           HB3      GLU  60   0.432  10.465 -12.081
  491    HG2  GLU  60           HG2      GLU  60   0.949   7.963 -12.089
  492    HG3  GLU  60           HG3      GLU  60   1.590   8.196 -13.724
  493    H    LYS  61           H        LYS  61  -3.174   9.092 -11.937
  494    HA   LYS  61           HA       LYS  61  -4.304  11.723 -12.788
  495    HB2  LYS  61           HB2      LYS  61  -5.649   9.694 -13.161
  496    HB3  LYS  61           HB3      LYS  61  -5.468   9.236 -11.468
  497    HG2  LYS  61           HG2      LYS  61  -6.669  11.421 -10.861
  498    HG3  LYS  61           HG3      LYS  61  -7.014  11.619 -12.572
  499    HD2  LYS  61           HD2      LYS  61  -7.784   9.210 -10.855
  500    HD3  LYS  61           HD3      LYS  61  -8.861  10.547 -11.198
  501    HE2  LYS  61           HE2      LYS  61  -7.715   8.579 -13.230
  502    HE3  LYS  61           HE3      LYS  61  -9.365   8.625 -12.609
  503    HZ1  LYS  61           HZ1      LYS  61  -9.452   9.736 -14.658
  504    HZ2  LYS  61           HZ2      LYS  61  -9.453  10.972 -13.565
  505    HZ3  LYS  61           HZ3      LYS  61  -8.097  10.604 -14.395
  506    H    THR  62           H        THR  62  -4.144  13.419 -11.299
  507    HA   THR  62           HA       THR  62  -3.239  12.865  -8.595
  508    HB   THR  62           HB       THR  62  -4.277  15.524  -9.620
  509    HG1  THR  62           HG1      THR  62  -2.333  15.866 -10.626
  510   HG21  THR  62          HG21      THR  62  -3.494  15.229  -7.247
  511   HG22  THR  62          HG22      THR  62  -1.908  14.726  -7.856
  512   HG23  THR  62          HG23      THR  62  -2.498  16.380  -8.163
  513    H    VAL  63           H        VAL  63  -4.559  12.611  -6.771
  514    HA   VAL  63           HA       VAL  63  -7.438  13.198  -7.052
  515    HB   VAL  63           HB       VAL  63  -7.994  11.018  -6.139
  516   HG11  VAL  63          HG11      VAL  63  -6.332  10.660  -8.662
  517   HG12  VAL  63          HG12      VAL  63  -7.681   9.654  -8.118
  518   HG13  VAL  63          HG13      VAL  63  -7.978  11.324  -8.612
  519   HG21  VAL  63          HG21      VAL  63  -5.869  10.439  -4.984
  520   HG22  VAL  63          HG22      VAL  63  -6.427   9.165  -6.068
  521   HG23  VAL  63          HG23      VAL  63  -5.085  10.212  -6.563
  522    H    GLU  64           H        GLU  64  -8.553  13.279  -5.109
  523    HA   GLU  64           HA       GLU  64  -6.918  13.655  -2.632
  524    HB2  GLU  64           HB2      GLU  64  -8.276  15.628  -3.333
  525    HB3  GLU  64           HB3      GLU  64  -9.739  14.635  -3.272
  526    HG2  GLU  64           HG2      GLU  64  -9.416  14.232  -0.867
  527    HG3  GLU  64           HG3      GLU  64  -7.850  15.042  -0.908
  528    H    VAL  65           H        VAL  65  -7.082  11.968  -1.239
  529    HA   VAL  65           HA       VAL  65  -8.952   9.746  -1.814
  530    HB   VAL  65           HB       VAL  65  -6.522   9.937   0.044
  531   HG11  VAL  65          HG11      VAL  65  -8.095   8.259   0.856
  532   HG12  VAL  65          HG12      VAL  65  -8.288   7.611  -0.791
  533   HG13  VAL  65          HG13      VAL  65  -6.749   7.427   0.080
  534   HG21  VAL  65          HG21      VAL  65  -6.792   8.646  -2.705
  535   HG22  VAL  65          HG22      VAL  65  -5.781  10.049  -2.295
  536   HG23  VAL  65          HG23      VAL  65  -5.408   8.461  -1.623
  537    H    LEU  66           H        LEU  66 -10.886  10.014  -0.782
  538    HA   LEU  66           HA       LEU  66 -11.129  11.802   1.493
  539    HB2  LEU  66           HB2      LEU  66 -13.133   9.816   0.321
  540    HB3  LEU  66           HB3      LEU  66 -13.473  11.009   1.555
  541    HG   LEU  66           HG       LEU  66 -14.355  11.919  -0.373
  542   HD11  LEU  66          HD11      LEU  66 -13.141  13.970  -0.800
  543   HD12  LEU  66          HD12      LEU  66 -12.974  13.551   0.913
  544   HD13  LEU  66          HD13      LEU  66 -11.625  13.264  -0.214
  545   HD21  LEU  66          HD21      LEU  66 -13.339  12.113  -2.526
  546   HD22  LEU  66          HD22      LEU  66 -11.795  11.480  -1.949
  547   HD23  LEU  66          HD23      LEU  66 -13.229  10.425  -2.013
  548    H    GLY  67           H        GLY  67 -11.028   8.230   1.068
  549    HA2  GLY  67           HA2      GLY  67  -9.810   7.591   3.398
  550    HA3  GLY  67           HA3      GLY  67 -11.540   7.631   3.831
  551    H    MET  68           H        MET  68 -10.715   5.269   4.136
  552    HA   MET  68           HA       MET  68 -10.512   3.574   1.798
  553    HB2  MET  68           HB2      MET  68 -11.180   2.911   4.683
  554    HB3  MET  68           HB3      MET  68 -11.024   1.718   3.382
  555    HG2  MET  68           HG2      MET  68  -8.708   2.554   2.918
  556    HG3  MET  68           HG3      MET  68  -8.856   3.639   4.297
  557    HE1  MET  68           HE1      MET  68  -9.501  -0.160   3.386
  558    HE2  MET  68           HE2      MET  68  -7.781   0.159   3.071
  559    HE3  MET  68           HE3      MET  68  -8.254  -0.927   4.397
  560    H    ALA  69           H        ALA  69 -12.027   2.198   0.924
  561    HA   ALA  69           HA       ALA  69 -14.769   3.137   0.703
  562    HB1  ALA  69           HB1      ALA  69 -13.485   0.505  -0.140
  563    HB2  ALA  69           HB2      ALA  69 -14.987   1.184  -0.777
  564    HB3  ALA  69           HB3      ALA  69 -13.455   1.989  -1.130
  565    HA   PRO  70           HA       PRO  70 -16.710   0.717   3.949
  566    HB2  PRO  70           HB2      PRO  70 -18.154  -0.857   1.808
  567    HB3  PRO  70           HB3      PRO  70 -18.810  -0.142   3.315
  568    HG2  PRO  70           HG2      PRO  70 -19.185   1.116   0.945
  569    HG3  PRO  70           HG3      PRO  70 -18.716   2.067   2.393
  570    HD2  PRO  70           HD2      PRO  70 -16.967   1.089   0.133
  571    HD3  PRO  70           HD3      PRO  70 -16.984   2.695   0.927
  572    H    ASP  71           H        ASP  71 -16.387  -1.223   5.061
  573    HA   ASP  71           HA       ASP  71 -14.244  -2.892   4.343
  574    HB2  ASP  71           HB2      ASP  71 -14.734  -4.157   6.250
  575    HB3  ASP  71           HB3      ASP  71 -15.205  -2.517   6.663
  576    H    ASP  72           H        ASP  72 -17.711  -3.193   3.652
  577    HA   ASP  72           HA       ASP  72 -17.740  -5.914   2.867
  578    HB2  ASP  72           HB2      ASP  72 -19.753  -4.587   3.388
  579    HB3  ASP  72           HB3      ASP  72 -19.486  -3.601   1.947
  580    H    GLU  73           H        GLU  73 -16.574  -3.068   1.168
  581    HA   GLU  73           HA       GLU  73 -16.537  -4.386  -1.480
  582    HB2  GLU  73           HB2      GLU  73 -15.278  -1.783  -0.488
  583    HB3  GLU  73           HB3      GLU  73 -15.268  -2.348  -2.148
  584    HG2  GLU  73           HG2      GLU  73 -17.749  -1.593  -0.545
  585    HG3  GLU  73           HG3      GLU  73 -16.961  -0.605  -1.765
  586    H    CYS  74           H        CYS  74 -14.509  -3.954   1.372
  587    HA   CYS  74           HA       CYS  74 -12.057  -4.495  -0.121
  588    HB2  CYS  74           HB2      CYS  74 -12.494  -3.694   2.776
  589    HB3  CYS  74           HB3      CYS  74 -10.934  -3.804   1.940
  590    HG   CYS  74           HG       CYS  74 -13.522  -1.822   1.379
  591    H    LEU  75           H        LEU  75 -13.869  -6.742   0.132
  592    HA   LEU  75           HA       LEU  75 -12.875  -8.454   2.258
  593    HB2  LEU  75           HB2      LEU  75 -15.019  -8.525   0.223
  594    HB3  LEU  75           HB3      LEU  75 -14.196 -10.059   0.329
  595    HG   LEU  75           HG       LEU  75 -16.098 -10.054   1.739
  596   HD11  LEU  75          HD11      LEU  75 -15.168 -10.878   3.802
  597   HD12  LEU  75          HD12      LEU  75 -14.075 -11.322   2.480
  598   HD13  LEU  75          HD13      LEU  75 -13.659  -9.982   3.570
  599   HD21  LEU  75          HD21      LEU  75 -14.890  -7.729   3.286
  600   HD22  LEU  75          HD22      LEU  75 -16.304  -7.671   2.228
  601   HD23  LEU  75          HD23      LEU  75 -16.360  -8.623   3.720
  602    H    LYS  76           H        LYS  76 -11.758  -7.728  -0.894
  603    HA   LYS  76           HA       LYS  76 -10.014 -10.153  -0.924
  604    HB2  LYS  76           HB2      LYS  76 -11.565  -8.989  -3.270
  605    HB3  LYS  76           HB3      LYS  76 -10.386 -10.300  -3.370
  606    HG2  LYS  76           HG2      LYS  76 -11.800 -11.673  -1.828
  607    HG3  LYS  76           HG3      LYS  76 -13.026 -10.388  -1.851
  608    HD2  LYS  76           HD2      LYS  76 -13.243 -10.628  -4.307
  609    HD3  LYS  76           HD3      LYS  76 -12.025 -11.924  -4.287
  610    HE2  LYS  76           HE2      LYS  76 -13.476 -13.256  -2.768
  611    HE3  LYS  76           HE3      LYS  76 -14.690 -11.971  -2.795
  612    HZ1  LYS  76           HZ1      LYS  76 -13.821 -13.542  -5.154
  613    HZ2  LYS  76           HZ2      LYS  76 -15.228 -13.728  -4.356
  614    HZ3  LYS  76           HZ3      LYS  76 -14.944 -12.353  -5.180
  615    H    ASP  77           H        ASP  77 -10.108  -6.739  -1.226
  616    HA   ASP  77           HA       ASP  77  -7.314  -6.432  -1.783
  617    HB2  ASP  77           HB2      ASP  77  -8.157  -6.830  -4.099
  618    HB3  ASP  77           HB3      ASP  77  -9.381  -5.594  -3.862
  619    H    MET  78           H        MET  78  -6.950  -3.947  -1.646
  620    HA   MET  78           HA       MET  78  -8.911  -2.877   0.358
  621    HB2  MET  78           HB2      MET  78  -5.994  -2.216  -0.193
  622    HB3  MET  78           HB3      MET  78  -7.013  -1.346   0.961
  623    HG2  MET  78           HG2      MET  78  -6.333  -4.310   1.105
  624    HG3  MET  78           HG3      MET  78  -5.532  -3.036   1.998
  625    HE1  MET  78           HE1      MET  78  -9.166  -5.394   3.238
  626    HE2  MET  78           HE2      MET  78  -8.982  -4.971   1.526
  627    HE3  MET  78           HE3      MET  78  -7.695  -5.865   2.368
  628    H    TYR  79           H        TYR  79  -9.986  -0.956  -0.061
  629    HA   TYR  79           HA       TYR  79  -9.393   0.457  -2.617
  630    HB2  TYR  79           HB2      TYR  79 -12.123  -0.423  -1.627
  631    HB3  TYR  79           HB3      TYR  79 -11.821   0.561  -3.043
  632    HD1  TYR  79           HD1      TYR  79 -10.977  -0.445  -5.137
  633    HD2  TYR  79           HD2      TYR  79 -11.739  -2.826  -1.625
  634    HE1  TYR  79           HE1      TYR  79 -11.007  -2.500  -6.532
  635    HE2  TYR  79           HE2      TYR  79 -11.761  -4.871  -2.993
  636    HH   TYR  79           HH       TYR  79 -11.554  -5.773  -5.126
  637    H    VAL  80           H        VAL  80 -10.348   2.563  -2.769
  638    HA   VAL  80           HA       VAL  80 -10.909   3.936  -0.208
  639    HB   VAL  80           HB       VAL  80  -9.294   5.718  -0.974
  640   HG11  VAL  80          HG11      VAL  80  -7.294   4.663  -0.021
  641   HG12  VAL  80          HG12      VAL  80  -8.733   4.342   0.933
  642   HG13  VAL  80          HG13      VAL  80  -8.076   3.066  -0.124
  643   HG21  VAL  80          HG21      VAL  80  -7.396   5.125  -2.389
  644   HG22  VAL  80          HG22      VAL  80  -8.069   3.507  -2.683
  645   HG23  VAL  80          HG23      VAL  80  -8.902   4.955  -3.294
  646    H    GLU  81           H        GLU  81 -12.058   5.817  -0.430
  647    HA   GLU  81           HA       GLU  81 -13.519   6.231  -2.965
  648    HB2  GLU  81           HB2      GLU  81 -13.695   7.543  -0.210
  649    HB3  GLU  81           HB3      GLU  81 -14.647   8.032  -1.623
  650    HG2  GLU  81           HG2      GLU  81 -15.570   5.696  -1.752
  651    HG3  GLU  81           HG3      GLU  81 -14.721   5.308  -0.254
  652    H    VAL  82           H        VAL  82 -12.941   7.904  -4.324
  653    HA   VAL  82           HA       VAL  82 -10.716   9.691  -3.521
  654    HB   VAL  82           HB       VAL  82 -10.554   7.242  -5.069
  655   HG11  VAL  82          HG11      VAL  82 -11.018   8.463  -7.098
  656   HG12  VAL  82          HG12      VAL  82  -9.756   9.655  -6.720
  657   HG13  VAL  82          HG13      VAL  82  -9.326   7.959  -7.040
  658   HG21  VAL  82          HG21      VAL  82  -8.167   7.657  -4.926
  659   HG22  VAL  82          HG22      VAL  82  -8.477   9.325  -4.377
  660   HG23  VAL  82          HG23      VAL  82  -8.987   7.937  -3.384
  661    H    ALA  83           H        ALA  83 -10.620  11.630  -4.717
  662    HA   ALA  83           HA       ALA  83 -12.868  12.130  -6.629
  663    HB1  ALA  83           HB1      ALA  83 -11.742  14.003  -4.503
  664    HB2  ALA  83           HB2      ALA  83 -12.898  14.455  -5.774
  665    HB3  ALA  83           HB3      ALA  83 -13.372  13.285  -4.532
  666    H    ASP  84           H        ASP  84 -12.192  12.991  -8.524
  667    HA   ASP  84           HA       ASP  84  -9.301  12.944  -9.038
  668    HB2  ASP  84           HB2      ASP  84 -10.973  11.875 -10.544
  669    HB3  ASP  84           HB3      ASP  84 -11.676  13.454 -10.886
  670    H    ILE  85           H        ILE  85  -8.119  14.706  -8.606
  671    HA   ILE  85           HA       ILE  85  -9.340  17.291  -8.188
  672    HB   ILE  85           HB       ILE  85  -6.407  16.547  -8.331
  673   HG12  ILE  85          HG12      ILE  85  -8.248  16.794  -5.893
  674   HG13  ILE  85          HG13      ILE  85  -7.658  15.283  -6.553
  675   HG21  ILE  85          HG21      ILE  85  -6.876  19.024  -8.523
  676   HG22  ILE  85          HG22      ILE  85  -7.751  18.925  -6.973
  677   HG23  ILE  85          HG23      ILE  85  -6.007  18.608  -7.063
  678   HD11  ILE  85          HD11      ILE  85  -6.325  15.812  -4.628
  679   HD12  ILE  85          HD12      ILE  85  -5.306  15.996  -6.062
  680   HD13  ILE  85          HD13      ILE  85  -5.960  17.423  -5.220
  681    H    GLY  86           H        GLY  86  -8.033  15.585 -10.954
  682    HA2  GLY  86           HA2      GLY  86  -7.932  18.039 -12.635
  683    HA3  GLY  86           HA3      GLY  86  -7.315  16.431 -13.045
  684    H    GLY  87           H        GLY  87 -10.354  16.285 -11.452
  685    HA2  GLY  87           HA2      GLY  87 -11.919  16.090 -13.987
  686    HA3  GLY  87           HA3      GLY  87 -11.940  14.824 -12.745
  687    H    LYS  88           H        LYS  88 -11.996  18.376 -12.771
  688    HA   LYS  88           HA       LYS  88 -13.291  19.983 -11.941
  689    HB2  LYS  88           HB2      LYS  88 -15.504  17.929 -11.574
  690    HB3  LYS  88           HB3      LYS  88 -15.678  19.672 -11.577
  691    HG2  LYS  88           HG2      LYS  88 -14.871  17.968 -13.968
  692    HG3  LYS  88           HG3      LYS  88 -16.445  18.709 -13.674
  693    HD2  LYS  88           HD2      LYS  88 -15.340  20.972 -13.707
  694    HD3  LYS  88           HD3      LYS  88 -13.829  20.200 -14.199
  695    HE2  LYS  88           HE2      LYS  88 -16.472  20.057 -15.724
  696    HE3  LYS  88           HE3      LYS  88 -15.157  21.175 -16.086
  697    HZ1  LYS  88           HZ1      LYS  88 -15.063  19.261 -17.519
  698    HZ2  LYS  88           HZ2      LYS  88 -13.740  19.264 -16.573
  699    HZ3  LYS  88           HZ3      LYS  88 -14.971  18.224 -16.271
  700    H    ASP  89           H        ASP  89 -12.572  17.271  -9.932
  701    HA   ASP  89           HA       ASP  89 -12.556  16.894  -7.734
  702    HB2  ASP  89           HB2      ASP  89 -10.939  18.780  -7.861
  703    HB3  ASP  89           HB3      ASP  89 -12.248  19.891  -7.463
  704    H    ASP  90           H        ASP  90 -15.059  17.231  -9.005
  705    HA   ASP  90           HA       ASP  90 -16.867  18.116  -6.795
  706    HB2  ASP  90           HB2      ASP  90 -16.598  19.840  -8.581
  707    HB3  ASP  90           HB3      ASP  90 -17.193  18.675  -9.764
  708    H    ASP  91           H        ASP  91 -15.876  15.436  -8.262
  709    HA   ASP  91           HA       ASP  91 -18.397  14.073  -7.727
  710    HB2  ASP  91           HB2      ASP  91 -18.412  14.448 -10.214
  711    HB3  ASP  91           HB3      ASP  91 -16.883  13.569 -10.319
  712    H    VAL  92           H        VAL  92 -17.916  11.675  -7.450
  713    HA   VAL  92           HA       VAL  92 -15.163  11.276  -6.412
  714    HB   VAL  92           HB       VAL  92 -17.693  10.659  -4.863
  715   HG11  VAL  92          HG11      VAL  92 -14.773  10.695  -4.002
  716   HG12  VAL  92          HG12      VAL  92 -16.157  10.408  -2.930
  717   HG13  VAL  92          HG13      VAL  92 -15.787   9.248  -4.200
  718   HG21  VAL  92          HG21      VAL  92 -17.542  13.096  -4.931
  719   HG22  VAL  92          HG22      VAL  92 -17.041  12.543  -3.339
  720   HG23  VAL  92          HG23      VAL  92 -15.813  13.035  -4.524
  721    H    TYR  93           H        TYR  93 -14.572   9.167  -6.255
  722    HA   TYR  93           HA       TYR  93 -16.044   7.089  -7.784
  723    HB2  TYR  93           HB2      TYR  93 -13.114   7.833  -8.150
  724    HB3  TYR  93           HB3      TYR  93 -14.069   6.749  -9.143
  725    HD1  TYR  93           HD1      TYR  93 -15.676   7.650 -10.823
  726    HD2  TYR  93           HD2      TYR  93 -13.205  10.256  -8.431
  727    HE1  TYR  93           HE1      TYR  93 -16.157   9.518 -12.372
  728    HE2  TYR  93           HE2      TYR  93 -13.710  12.145  -9.964
  729    HH   TYR  93           HH       TYR  93 -15.791  11.769 -12.862
  730    H    THR  94           H        THR  94 -14.311   5.129  -7.742
  731    HA   THR  94           HA       THR  94 -13.132   4.869  -5.016
  732    HB   THR  94           HB       THR  94 -14.426   2.506  -6.396
  733    HG1  THR  94           HG1      THR  94 -16.051   4.025  -5.974
  734   HG21  THR  94          HG21      THR  94 -12.789   2.030  -4.602
  735   HG22  THR  94          HG22      THR  94 -13.716   3.051  -3.480
  736   HG23  THR  94          HG23      THR  94 -14.428   1.556  -4.130
  737    H    ALA  95           H        ALA  95 -11.129   4.007  -5.004
  738    HA   ALA  95           HA       ALA  95  -9.924   2.977  -7.525
  739    HB1  ALA  95           HB1      ALA  95  -8.663   4.969  -5.575
  740    HB2  ALA  95           HB2      ALA  95  -7.865   4.238  -6.979
  741    HB3  ALA  95           HB3      ALA  95  -9.231   5.347  -7.212
  742    H    LYS  96           H        LYS  96  -7.833   1.768  -6.890
  743    HA   LYS  96           HA       LYS  96  -8.411   0.114  -4.490
  744    HB2  LYS  96           HB2      LYS  96  -6.110  -0.376  -6.393
  745    HB3  LYS  96           HB3      LYS  96  -6.901  -1.463  -5.269
  746    HG2  LYS  96           HG2      LYS  96  -7.812  -2.272  -7.185
  747    HG3  LYS  96           HG3      LYS  96  -9.024  -1.037  -6.839
  748    HD2  LYS  96           HD2      LYS  96  -7.654   0.521  -8.384
  749    HD3  LYS  96           HD3      LYS  96  -6.696  -0.890  -8.822
  750    HE2  LYS  96           HE2      LYS  96  -9.722  -0.631  -9.140
  751    HE3  LYS  96           HE3      LYS  96  -8.549  -0.318 -10.420
  752    HZ1  LYS  96           HZ1      LYS  96  -7.852  -2.637 -10.285
  753    HZ2  LYS  96           HZ2      LYS  96  -8.946  -2.948  -9.107
  754    HZ3  LYS  96           HZ3      LYS  96  -9.445  -2.540 -10.602
  755    H    LEU  97           H        LEU  97  -7.055   0.270  -2.690
  756    HA   LEU  97           HA       LEU  97  -5.255   2.523  -2.371
  757    HB2  LEU  97           HB2      LEU  97  -6.397   1.204  -0.489
  758    HB3  LEU  97           HB3      LEU  97  -5.295  -0.123  -0.859
  759    HG   LEU  97           HG       LEU  97  -3.349   1.445  -0.351
  760   HD11  LEU  97          HD11      LEU  97  -5.623   3.214   0.660
  761   HD12  LEU  97          HD12      LEU  97  -3.929   3.450   1.069
  762   HD13  LEU  97          HD13      LEU  97  -4.446   3.631  -0.611
  763   HD21  LEU  97          HD21      LEU  97  -3.598   1.248   2.078
  764   HD22  LEU  97          HD22      LEU  97  -5.346   0.967   1.898
  765   HD23  LEU  97          HD23      LEU  97  -4.172  -0.216   1.274
  766    H    SER  98           H        SER  98  -5.064  -0.793  -3.462
  767    HA   SER  98           HA       SER  98  -2.311  -1.265  -3.696
  768    HB2  SER  98           HB2      SER  98  -4.719  -2.268  -5.285
  769    HB3  SER  98           HB3      SER  98  -3.164  -3.095  -5.152
  770    HG   SER  98           HG       SER  98  -5.055  -3.594  -3.572
  771    H    ASP  99           H        ASP  99  -4.124   1.089  -5.452
  772    HA   ASP  99           HA       ASP  99  -2.155   1.064  -7.689
  773    HB2  ASP  99           HB2      ASP  99  -4.746   0.376  -7.962
  774    HB3  ASP  99           HB3      ASP  99  -4.947   2.132  -7.984
  775    H    ILE 100           H        ILE 100  -2.662   2.565  -4.936
  776    HA   ILE 100           HA       ILE 100  -2.606   5.364  -5.942
  777    HB   ILE 100           HB       ILE 100  -3.832   3.987  -3.581
  778   HG12  ILE 100          HG12      ILE 100  -4.927   4.865  -5.767
  779   HG13  ILE 100          HG13      ILE 100  -5.751   5.060  -4.216
  780   HG21  ILE 100          HG21      ILE 100  -2.930   6.878  -3.330
  781   HG22  ILE 100          HG22      ILE 100  -4.128   6.068  -2.297
  782   HG23  ILE 100          HG23      ILE 100  -2.461   5.498  -2.314
  783   HD11  ILE 100          HD11      ILE 100  -5.212   7.409  -4.146
  784   HD12  ILE 100          HD12      ILE 100  -4.156   7.258  -5.565
  785   HD13  ILE 100          HD13      ILE 100  -5.908   7.011  -5.722
  786    H    GLU 101           H        GLU 101  -1.122   6.701  -5.247
  787    HA   GLU 101           HA       GLU 101   0.966   5.789  -3.298
  788    HB2  GLU 101           HB2      GLU 101   1.917   5.640  -5.520
  789    HB3  GLU 101           HB3      GLU 101   1.362   7.271  -5.931
  790    HG2  GLU 101           HG2      GLU 101   2.892   8.252  -4.291
  791    HG3  GLU 101           HG3      GLU 101   3.329   6.649  -3.688
  792    H    ALA 102           H        ALA 102   0.481   7.008  -1.504
  793    HA   ALA 102           HA       ALA 102  -0.936   9.508  -1.633
  794    HB1  ALA 102           HB1      ALA 102  -0.327   9.728   0.740
  795    HB2  ALA 102           HB2      ALA 102  -0.950   8.122   0.394
  796    HB3  ALA 102           HB3      ALA 102   0.804   8.361   0.594
  797    H    ILE 103           H        ILE 103  -0.204  11.619  -1.302
  798    HA   ILE 103           HA       ILE 103   2.669  12.125  -1.962
  799    HB   ILE 103           HB       ILE 103   0.157  13.678  -2.679
  800   HG12  ILE 103          HG12      ILE 103   2.125  12.361  -4.607
  801   HG13  ILE 103          HG13      ILE 103   0.675  11.548  -4.052
  802   HG21  ILE 103          HG21      ILE 103   1.651  15.198  -3.942
  803   HG22  ILE 103          HG22      ILE 103   2.063  15.206  -2.235
  804   HG23  ILE 103          HG23      ILE 103   3.067  14.285  -3.374
  805   HD11  ILE 103          HD11      ILE 103   0.764  14.114  -5.679
  806   HD12  ILE 103          HD12      ILE 103   0.153  12.529  -6.163
  807   HD13  ILE 103          HD13      ILE 103  -0.712  13.454  -4.932
  808    H    ASP 104           H        ASP 104   3.778  13.242  -0.542
  809    HA   ASP 104           HA       ASP 104   4.384  14.285   1.344
  810    HB2  ASP 104           HB2      ASP 104   3.872  16.076  -0.257
  811    HB3  ASP 104           HB3      ASP 104   2.246  16.215   0.415
  812    H    VAL 105           H        VAL 105   2.767  12.197   2.087
  813    HA   VAL 105           HA       VAL 105   0.780  13.276   3.998
  814    HB   VAL 105           HB       VAL 105   0.290  11.483   2.217
  815   HG11  VAL 105          HG11      VAL 105   1.557   9.648   4.264
  816   HG12  VAL 105          HG12      VAL 105   0.546   9.145   2.916
  817   HG13  VAL 105          HG13      VAL 105   2.113   9.915   2.602
  818   HG21  VAL 105          HG21      VAL 105  -1.221  12.260   3.989
  819   HG22  VAL 105          HG22      VAL 105  -1.448  10.590   3.476
  820   HG23  VAL 105          HG23      VAL 105  -0.647  10.946   5.028
  821    H    ASP 106           H        ASP 106   0.641  11.831   6.115
  822    HA   ASP 106           HA       ASP 106   3.138  12.318   7.499
  823    HB2  ASP 106           HB2      ASP 106   1.930  12.333   9.334
  824    HB3  ASP 106           HB3      ASP 106   0.499  12.297   8.311
  825    H    ASP 107           H        ASP 107   4.250  10.699   8.777
  826    HA   ASP 107           HA       ASP 107   5.231   8.606   7.216
  827    HB2  ASP 107           HB2      ASP 107   6.460   9.636   9.063
  828    HB3  ASP 107           HB3      ASP 107   5.300   8.993  10.229
  829    H    ASP 108           H        ASP 108   2.548   8.473   9.624
  830    HA   ASP 108           HA       ASP 108   2.629   5.579   9.692
  831    HB2  ASP 108           HB2      ASP 108   1.589   7.443  11.376
  832    HB3  ASP 108           HB3      ASP 108   0.130   7.020  10.472
  833    H    THR 109           H        THR 109   0.540   8.036   8.016
  834    HA   THR 109           HA       THR 109  -1.090   6.163   6.627
  835    HB   THR 109           HB       THR 109  -0.190   8.954   5.746
  836    HG1  THR 109           HG1      THR 109  -1.047   9.117   7.763
  837   HG21  THR 109          HG21      THR 109  -2.755   7.425   5.155
  838   HG22  THR 109          HG22      THR 109  -2.405   9.069   4.684
  839   HG23  THR 109          HG23      THR 109  -1.450   7.752   3.979
  840    H    GLN 110           H        GLN 110   2.117   7.597   5.785
  841    HA   GLN 110           HA       GLN 110   2.263   6.354   3.234
  842    HB2  GLN 110           HB2      GLN 110   3.709   8.248   4.351
  843    HB3  GLN 110           HB3      GLN 110   4.709   6.925   4.944
  844    HG2  GLN 110           HG2      GLN 110   4.016   7.556   2.036
  845    HG3  GLN 110           HG3      GLN 110   5.541   7.924   2.827
  846   HE21  GLN 110          HE22      GLN 110   4.017   5.677   0.820
  847   HE22  GLN 110          HE21      GLN 110   5.053   4.303   1.108
  848    H    GLU 111           H        GLU 111   3.398   5.253   6.495
  849    HA   GLU 111           HA       GLU 111   4.559   2.832   5.610
  850    HB2  GLU 111           HB2      GLU 111   3.472   3.855   8.242
  851    HB3  GLU 111           HB3      GLU 111   3.902   2.158   8.115
  852    HG2  GLU 111           HG2      GLU 111   5.798   4.390   7.306
  853    HG3  GLU 111           HG3      GLU 111   5.707   3.741   8.946
  854    H    ALA 112           H        ALA 112   1.177   3.534   6.571
  855    HA   ALA 112           HA       ALA 112   0.222   0.869   6.549
  856    HB1  ALA 112           HB1      ALA 112  -1.249   3.333   5.519
  857    HB2  ALA 112           HB2      ALA 112  -1.977   1.846   6.157
  858    HB3  ALA 112           HB3      ALA 112  -1.080   2.944   7.228
  859    H    ILE 113           H        ILE 113   0.617   3.213   3.899
  860    HA   ILE 113           HA       ILE 113  -0.522   1.542   1.854
  861    HB   ILE 113           HB       ILE 113   1.131   4.084   1.888
  862   HG12  ILE 113          HG12      ILE 113  -1.749   3.695   1.018
  863   HG13  ILE 113          HG13      ILE 113  -1.352   3.887   2.722
  864   HG21  ILE 113          HG21      ILE 113  -0.066   2.694  -0.545
  865   HG22  ILE 113          HG22      ILE 113   0.534   4.367  -0.527
  866   HG23  ILE 113          HG23      ILE 113   1.652   3.036  -0.235
  867   HD11  ILE 113          HD11      ILE 113  -1.978   6.022   1.910
  868   HD12  ILE 113          HD12      ILE 113  -0.240   6.056   2.223
  869   HD13  ILE 113          HD13      ILE 113  -0.838   5.908   0.545
  870    H    ALA 114           H        ALA 114   2.901   2.384   2.699
  871    HA   ALA 114           HA       ALA 114   4.103   0.818   0.677
  872    HB1  ALA 114           HB1      ALA 114   6.125   0.954   2.100
  873    HB2  ALA 114           HB2      ALA 114   5.313   2.526   1.996
  874    HB3  ALA 114           HB3      ALA 114   5.143   1.535   3.461
  875    H    ASP 115           H        ASP 115   3.239   0.002   4.059
  876    HA   ASP 115           HA       ASP 115   4.397  -2.599   4.021
  877    HB2  ASP 115           HB2      ASP 115   3.798  -1.166   6.022
  878    HB3  ASP 115           HB3      ASP 115   2.117  -1.676   5.798
  879    H    TRP 116           H        TRP 116   1.112  -1.429   3.264
  880    HA   TRP 116           HA       TRP 116  -0.086  -3.999   2.800
  881    HB2  TRP 116           HB2      TRP 116  -1.497  -2.098   3.066
  882    HB3  TRP 116           HB3      TRP 116  -0.656  -1.180   1.824
  883    HD1  TRP 116           HD1      TRP 116  -1.780  -1.083  -0.427
  884    HE1  TRP 116           HE1      TRP 116  -3.408  -2.542  -1.794
  885    HE3  TRP 116           HE3      TRP 116  -2.401  -4.957   2.871
  886    HZ2  TRP 116           HZ2      TRP 116  -4.725  -5.066  -1.526
  887    HZ3  TRP 116           HZ3      TRP 116  -3.843  -6.877   2.283
  888    HH2  TRP 116           HH2      TRP 116  -4.993  -6.945   0.064
  889    H    LEU 117           H        LEU 117   1.690  -1.702   0.670
  890    HA   LEU 117           HA       LEU 117   1.262  -3.222  -1.705
  891    HB2  LEU 117           HB2      LEU 117   3.335  -1.135  -0.964
  892    HB3  LEU 117           HB3      LEU 117   3.267  -1.875  -2.558
  893    HG   LEU 117           HG       LEU 117   0.872  -0.434  -1.336
  894   HD11  LEU 117          HD11      LEU 117   2.750   1.134  -1.515
  895   HD12  LEU 117          HD12      LEU 117   2.987   0.683  -3.220
  896   HD13  LEU 117          HD13      LEU 117   1.494   1.507  -2.705
  897   HD21  LEU 117          HD21      LEU 117   0.124  -0.261  -3.686
  898   HD22  LEU 117          HD22      LEU 117   1.509  -1.248  -4.197
  899   HD23  LEU 117          HD23      LEU 117   0.248  -1.936  -3.150
  900    H    TYR 118           H        TYR 118   3.791  -3.485   0.842
  901    HA   TYR 118           HA       TYR 118   5.392  -5.388  -0.573
  902    HB2  TYR 118           HB2      TYR 118   4.877  -5.354   2.418
  903    HB3  TYR 118           HB3      TYR 118   6.232  -6.090   1.590
  904    HD1  TYR 118           HD1      TYR 118   6.758  -3.563  -0.306
  905    HD2  TYR 118           HD2      TYR 118   6.208  -4.108   3.944
  906    HE1  TYR 118           HE1      TYR 118   8.047  -1.505   0.125
  907    HE2  TYR 118           HE2      TYR 118   7.465  -2.032   4.379
  908    HH   TYR 118           HH       TYR 118   8.659  -0.255   3.440
  909    H    TRP 119           H        TRP 119   2.596  -5.876   1.677
  910    HA   TRP 119           HA       TRP 119   2.573  -8.724   1.462
  911    HB2  TRP 119           HB2      TRP 119   1.506  -7.681   3.273
  912    HB3  TRP 119           HB3      TRP 119   0.555  -6.621   2.243
  913    HD1  TRP 119           HD1      TRP 119  -1.499  -7.741   0.884
  914    HE1  TRP 119           HE1      TRP 119  -3.150  -9.528   1.589
  915    HE3  TRP 119           HE3      TRP 119   1.257  -9.867   4.633
  916    HZ2  TRP 119           HZ2      TRP 119  -3.354 -11.500   3.763
  917    HZ3  TRP 119           HZ3      TRP 119   0.237 -11.561   6.126
  918    HH2  TRP 119           HH2      TRP 119  -2.071 -12.370   5.710
  919    H    LEU 120           H        LEU 120   0.955  -6.174  -0.529
  920    HA   LEU 120           HA       LEU 120  -0.548  -7.957  -2.151
  921    HB2  LEU 120           HB2      LEU 120  -0.862  -5.499  -2.036
  922    HB3  LEU 120           HB3      LEU 120   0.736  -5.258  -2.738
  923    HG   LEU 120           HG       LEU 120  -0.042  -6.441  -4.832
  924   HD11  LEU 120          HD11      LEU 120  -2.751  -6.263  -3.433
  925   HD12  LEU 120          HD12      LEU 120  -2.515  -6.637  -5.155
  926   HD13  LEU 120          HD13      LEU 120  -1.913  -7.749  -3.922
  927   HD21  LEU 120          HD21      LEU 120  -1.382  -4.498  -5.602
  928   HD22  LEU 120          HD22      LEU 120  -1.542  -3.968  -3.904
  929   HD23  LEU 120          HD23      LEU 120   0.051  -4.014  -4.686
  930    H    ALA 121           H        ALA 121   2.706  -6.477  -2.665
  931    HA   ALA 121           HA       ALA 121   3.312  -7.879  -5.046
  932    HB1  ALA 121           HB1      ALA 121   4.458  -5.835  -4.384
  933    HB2  ALA 121           HB2      ALA 121   5.105  -6.623  -2.931
  934    HB3  ALA 121           HB3      ALA 121   5.648  -7.143  -4.544
  935    H    ARG 122           H        ARG 122   3.358  -9.021  -1.742
  936    HA   ARG 122           HA       ARG 122   5.160 -11.202  -2.055
  937    HB2  ARG 122           HB2      ARG 122   3.999 -10.207   0.087
  938    HB3  ARG 122           HB3      ARG 122   2.674 -11.288  -0.328
  939    HG2  ARG 122           HG2      ARG 122   3.986 -12.357   1.330
  940    HG3  ARG 122           HG3      ARG 122   4.239 -13.229  -0.171
  941    HD2  ARG 122           HD2      ARG 122   6.368 -13.028   0.950
  942    HD3  ARG 122           HD3      ARG 122   6.416 -12.011  -0.477
  943    HE   ARG 122           HE       ARG 122   6.648 -10.137   0.838
  944   HH11  ARG 122          HH11      ARG 122   5.574 -12.784   2.972
  945   HH12  ARG 122          HH12      ARG 122   6.006 -11.938   4.430
  946   HH21  ARG 122          HH21      ARG 122   7.339  -9.131   2.761
  947   HH22  ARG 122          HH22      ARG 122   6.930  -9.830   4.316
  948    H    GLY 123           H        GLY 123   2.099 -10.673  -3.555
  949    HA2  GLY 123           HA2      GLY 123   0.946 -12.059  -5.022
  950    HA3  GLY 123           HA3      GLY 123   1.967 -13.441  -4.573
  951    H    TYR 124           H        TYR 124   0.344 -11.209  -2.363
  952    HA   TYR 124           HA       TYR 124  -0.677 -11.436  -0.462
  953    HB2  TYR 124           HB2      TYR 124  -2.341 -13.022  -2.384
  954    HB3  TYR 124           HB3      TYR 124  -2.901 -12.827  -0.731
  955    HD1  TYR 124           HD1      TYR 124  -1.719  -9.742  -0.740
  956    HD2  TYR 124           HD2      TYR 124  -4.475 -12.099  -3.084
  957    HE1  TYR 124           HE1      TYR 124  -2.951  -7.710  -1.314
  958    HE2  TYR 124           HE2      TYR 124  -5.743 -10.051  -3.649
  959    HH   TYR 124           HH       TYR 124  -5.911  -7.774  -3.371
  960    H    LYS 125           H        LYS 125  -1.448 -12.499   1.311
  961    HA   LYS 125           HA       LYS 125  -0.802 -15.384   1.611
  962    HB2  LYS 125           HB2      LYS 125  -0.253 -13.169   3.591
  963    HB3  LYS 125           HB3      LYS 125  -0.041 -14.871   3.953
  964    HG2  LYS 125           HG2      LYS 125   1.471 -13.292   1.834
  965    HG3  LYS 125           HG3      LYS 125   2.071 -13.598   3.457
  966    HD2  LYS 125           HD2      LYS 125   1.486 -15.766   1.388
  967    HD3  LYS 125           HD3      LYS 125   3.079 -15.108   1.772
  968    HE2  LYS 125           HE2      LYS 125   2.826 -15.881   4.131
  969    HE3  LYS 125           HE3      LYS 125   1.251 -16.576   3.727
  970    HZ1  LYS 125           HZ1      LYS 125   3.835 -17.422   2.549
  971    HZ2  LYS 125           HZ2      LYS 125   2.987 -18.242   3.669
  972    HZ3  LYS 125           HZ3      LYS 125   2.377 -18.061   2.171
  973    H    PHE 126           H        PHE 126  -3.160 -13.217   1.411
  974    HA   PHE 126           HA       PHE 126  -5.007 -13.676   3.497
  975    HB2  PHE 126           HB2      PHE 126  -5.376 -13.498   0.486
  976    HB3  PHE 126           HB3      PHE 126  -6.728 -13.588   1.606
  977    HD1  PHE 126           HD2      PHE 126  -5.668 -11.640   3.745
  978    HD2  PHE 126           HD1      PHE 126  -5.973 -11.416  -0.539
  979    HE1  PHE 126           HE2      PHE 126  -5.814  -9.179   3.895
  980    HE2  PHE 126           HE1      PHE 126  -6.229  -8.962  -0.382
  981    HZ   PHE 126           HZ       PHE 126  -6.156  -7.833   1.842
  Start of MODEL   17
    1    H1   MET   1           H1       MET   1   3.573 -15.021  -2.812
    2    H2   MET   1           H2       MET   1   3.885 -13.480  -3.299
    3    H3   MET   1           H3       MET   1   3.988 -14.706  -4.377
    4    HA   MET   1           HA       MET   1   5.741 -14.263  -2.064
    5    HB2  MET   1           HB2      MET   1   5.802 -16.497  -4.152
    6    HB3  MET   1           HB3      MET   1   7.131 -16.105  -3.064
    7    HG2  MET   1           HG2      MET   1   5.989 -17.940  -2.114
    8    HG3  MET   1           HG3      MET   1   5.657 -16.538  -1.105
    9    HE1  MET   1           HE1      MET   1   3.764 -17.841   0.160
   10    HE2  MET   1           HE2      MET   1   2.441 -18.714  -0.644
   11    HE3  MET   1           HE3      MET   1   4.116 -19.282  -0.822
   12    H    ALA   2           H        ALA   2   7.646 -13.120  -2.522
   13    HA   ALA   2           HA       ALA   2   8.352 -12.432  -5.277
   14    HB1  ALA   2           HB1      ALA   2   8.091 -10.026  -4.958
   15    HB2  ALA   2           HB2      ALA   2   6.531 -10.776  -4.599
   16    HB3  ALA   2           HB3      ALA   2   7.604 -10.256  -3.271
   17    H    SER   3           H        SER   3  10.255 -10.844  -5.157
   18    HA   SER   3           HA       SER   3  11.959 -11.168  -2.740
   19    HB2  SER   3           HB2      SER   3  12.868 -11.495  -5.631
   20    HB3  SER   3           HB3      SER   3  13.864 -11.669  -4.175
   21    HG   SER   3           HG       SER   3  13.169 -13.685  -5.024
   22    H    VAL   4           H        VAL   4  10.236  -8.979  -3.488
   23    HA   VAL   4           HA       VAL   4  11.424  -6.965  -5.017
   24    HB   VAL   4           HB       VAL   4   9.080  -7.054  -4.431
   25   HG11  VAL   4          HG11      VAL   4   9.796  -6.237  -1.588
   26   HG12  VAL   4          HG12      VAL   4   8.167  -6.410  -2.271
   27   HG13  VAL   4          HG13      VAL   4   9.189  -7.838  -2.080
   28   HG21  VAL   4          HG21      VAL   4  10.039  -4.878  -5.087
   29   HG22  VAL   4          HG22      VAL   4   8.642  -4.708  -4.012
   30   HG23  VAL   4          HG23      VAL   4  10.279  -4.469  -3.373
   31    H    GLU   5           H        GLU   5  11.962  -7.785  -1.594
   32    HA   GLU   5           HA       GLU   5  14.537  -6.557  -1.645
   33    HB2  GLU   5           HB2      GLU   5  12.746  -4.664  -0.951
   34    HB3  GLU   5           HB3      GLU   5  12.748  -5.530   0.582
   35    HG2  GLU   5           HG2      GLU   5  15.347  -5.263   0.497
   36    HG3  GLU   5           HG3      GLU   5  15.067  -4.145  -0.829
   37    H    ARG   6           H        ARG   6  15.478  -7.015   0.720
   38    HA   ARG   6           HA       ARG   6  14.782  -9.682   1.622
   39    HB2  ARG   6           HB2      ARG   6  16.583  -9.319   3.261
   40    HB3  ARG   6           HB3      ARG   6  17.049  -9.033   1.603
   41    HG2  ARG   6           HG2      ARG   6  18.170  -7.438   2.851
   42    HG3  ARG   6           HG3      ARG   6  16.926  -6.534   2.021
   43    HD2  ARG   6           HD2      ARG   6  16.462  -7.510   4.855
   44    HD3  ARG   6           HD3      ARG   6  17.544  -6.149   4.577
   45    HE   ARG   6           HE       ARG   6  15.505  -5.153   3.260
   46   HH11  ARG   6          HH11      ARG   6  15.288  -6.936   6.354
   47   HH12  ARG   6          HH12      ARG   6  13.884  -6.029   6.859
   48   HH21  ARG   6          HH21      ARG   6  13.815  -4.021   3.963
   49   HH22  ARG   6          HH22      ARG   6  13.053  -4.317   5.530
   50    H    ASP   7           H        ASP   7  12.724  -7.558   1.816
   51    HA   ASP   7           HA       ASP   7  12.431  -6.784   4.589
   52    HB2  ASP   7           HB2      ASP   7  11.759  -5.195   2.955
   53    HB3  ASP   7           HB3      ASP   7  10.689  -6.359   2.170
   54    H    GLU   8           H        GLU   8  12.566  -9.014   5.364
   55    HA   GLU   8           HA       GLU   8   9.871 -10.274   5.523
   56    HB2  GLU   8           HB2      GLU   8  12.560 -11.030   6.767
   57    HB3  GLU   8           HB3      GLU   8  11.046 -11.918   7.006
   58    HG2  GLU   8           HG2      GLU   8  10.904 -12.316   4.546
   59    HG3  GLU   8           HG3      GLU   8  12.461 -11.512   4.332
   60    H    THR   9           H        THR   9  11.691  -7.780   6.957
   61    HA   THR   9           HA       THR   9  10.933  -7.744   9.653
   62    HB   THR   9           HB       THR   9  10.999  -5.110   8.876
   63    HG1  THR   9           HG1      THR   9  11.237  -5.604   6.627
   64   HG21  THR   9          HG21      THR   9  12.562  -6.168  10.453
   65   HG22  THR   9          HG22      THR   9  13.404  -6.973   9.111
   66   HG23  THR   9          HG23      THR   9  13.444  -5.197   9.264
   67    H    ARG  10           H        ARG  10   9.171  -6.480   6.754
   68    HA   ARG  10           HA       ARG  10   6.977  -5.607   8.492
   69    HB2  ARG  10           HB2      ARG  10   7.218  -5.721   5.472
   70    HB3  ARG  10           HB3      ARG  10   5.771  -5.176   6.327
   71    HG2  ARG  10           HG2      ARG  10   7.081  -3.419   7.486
   72    HG3  ARG  10           HG3      ARG  10   8.541  -3.919   6.620
   73    HD2  ARG  10           HD2      ARG  10   7.468  -3.379   4.468
   74    HD3  ARG  10           HD3      ARG  10   5.995  -2.889   5.294
   75    HE   ARG  10           HE       ARG  10   8.484  -1.424   4.999
   76   HH11  ARG  10          HH21      ARG  10   5.493  -1.581   6.988
   77   HH12  ARG  10          HH22      ARG  10   5.701   0.081   7.546
   78   HH21  ARG  10          HH11      ARG  10   8.573   0.781   5.695
   79   HH22  ARG  10          HH12      ARG  10   7.315   1.432   6.704
   80    H    GLU  11           H        GLU  11   7.754  -8.568   6.659
   81    HA   GLU  11           HA       GLU  11   5.090  -9.640   6.726
   82    HB2  GLU  11           HB2      GLU  11   7.774 -11.085   6.713
   83    HB3  GLU  11           HB3      GLU  11   6.209 -11.840   6.445
   84    HG2  GLU  11           HG2      GLU  11   7.469  -9.692   4.690
   85    HG3  GLU  11           HG3      GLU  11   7.405 -11.412   4.332
   86    H    HIS  12           H        HIS  12   7.801  -9.724   9.106
   87    HA   HIS  12           HA       HIS  12   6.425 -11.400  10.986
   88    HB2  HIS  12           HB2      HIS  12   8.651  -9.351  11.309
   89    HB3  HIS  12           HB3      HIS  12   7.981 -10.258  12.660
   90    HD1  HIS  12           HD1      HIS  12   9.784 -11.047   9.311
   91    HD2  HIS  12           HD2      HIS  12   8.933 -12.643  13.113
   92    HE1  HIS  12           HE1      HIS  12  11.117 -13.219   9.494
   93    H    ARG  13           H        ARG  13   6.583  -7.797  10.655
   94    HA   ARG  13           HA       ARG  13   4.947  -7.224  12.916
   95    HB2  ARG  13           HB2      ARG  13   5.302  -5.675  10.315
   96    HB3  ARG  13           HB3      ARG  13   4.512  -5.045  11.762
   97    HG2  ARG  13           HG2      ARG  13   6.577  -5.222  13.058
   98    HG3  ARG  13           HG3      ARG  13   7.412  -5.998  11.704
   99    HD2  ARG  13           HD2      ARG  13   6.957  -3.955  10.314
  100    HD3  ARG  13           HD3      ARG  13   6.302  -3.168  11.767
  101    HE   ARG  13           HE       ARG  13   8.823  -4.101  12.490
  102   HH11  ARG  13          HH11      ARG  13   7.558  -1.795  10.105
  103   HH12  ARG  13          HH12      ARG  13   9.013  -0.874  10.012
  104   HH21  ARG  13          HH21      ARG  13  10.756  -2.858  12.387
  105   HH22  ARG  13          HH22      ARG  13  10.866  -1.489  11.350
  106    H    ILE  14           H        ILE  14   4.056  -7.787   9.493
  107    HA   ILE  14           HA       ILE  14   1.273  -7.393   9.701
  108    HB   ILE  14           HB       ILE  14   3.066  -9.085   7.931
  109   HG12  ILE  14          HG12      ILE  14   1.363  -6.692   7.183
  110   HG13  ILE  14          HG13      ILE  14   2.957  -6.477   7.865
  111   HG21  ILE  14          HG21      ILE  14   0.979 -10.298   7.933
  112   HG22  ILE  14          HG22      ILE  14   0.051  -8.803   7.643
  113   HG23  ILE  14          HG23      ILE  14   1.142  -9.458   6.402
  114   HD11  ILE  14          HD11      ILE  14   3.953  -7.786   5.994
  115   HD12  ILE  14          HD12      ILE  14   2.351  -7.926   5.259
  116   HD13  ILE  14          HD13      ILE  14   3.099  -6.334   5.454
  117    H    GLU  15           H        GLU  15   3.218 -10.411  10.123
  118    HA   GLU  15           HA       GLU  15   1.052 -12.072  10.725
  119    HB2  GLU  15           HB2      GLU  15   3.250 -12.894  10.115
  120    HB3  GLU  15           HB3      GLU  15   3.966 -12.246  11.596
  121    HG2  GLU  15           HG2      GLU  15   2.654 -13.769  12.970
  122    HG3  GLU  15           HG3      GLU  15   1.772 -14.353  11.552
  123    H    THR  16           H        THR  16   3.091 -10.141  13.061
  124    HA   THR  16           HA       THR  16   1.621 -11.318  15.265
  125    HB   THR  16           HB       THR  16   3.092  -9.808  16.629
  126    HG1  THR  16           HG1      THR  16   4.678  -8.667  15.590
  127   HG21  THR  16          HG21      THR  16   3.757 -12.124  16.029
  128   HG22  THR  16          HG22      THR  16   4.524 -11.525  14.544
  129   HG23  THR  16          HG23      THR  16   5.155 -11.044  16.134
  130    H    GLU  17           H        GLU  17   1.214  -8.356  13.440
  131    HA   GLU  17           HA       GLU  17  -0.637  -7.340  15.553
  132    HB2  GLU  17           HB2      GLU  17   1.016  -5.751  13.562
  133    HB3  GLU  17           HB3      GLU  17  -0.074  -5.098  14.781
  134    HG2  GLU  17           HG2      GLU  17   1.306  -6.228  16.563
  135    HG3  GLU  17           HG3      GLU  17   2.478  -6.662  15.319
  136    H    ILE  18           H        ILE  18  -0.708  -8.388  12.227
  137    HA   ILE  18           HA       ILE  18  -3.208  -6.792  11.820
  138    HB   ILE  18           HB       ILE  18  -1.245  -7.690   9.691
  139   HG12  ILE  18          HG12      ILE  18  -1.516  -5.036  11.168
  140   HG13  ILE  18          HG13      ILE  18  -0.099  -6.079  11.103
  141   HG21  ILE  18          HG21      ILE  18  -3.552  -5.707   9.585
  142   HG22  ILE  18          HG22      ILE  18  -2.496  -6.185   8.235
  143   HG23  ILE  18          HG23      ILE  18  -3.599  -7.355   8.931
  144   HD11  ILE  18          HD11      ILE  18  -1.201  -4.369   8.855
  145   HD12  ILE  18          HD12      ILE  18   0.354  -4.234   9.691
  146   HD13  ILE  18          HD13      ILE  18   0.044  -5.617   8.623
  147    H    ILE  19           H        ILE  19  -1.672  -9.997  11.099
  148    HA   ILE  19           HA       ILE  19  -4.427 -11.070  10.672
  149    HB   ILE  19           HB       ILE  19  -3.440 -12.526   9.008
  150   HG12  ILE  19          HG12      ILE  19  -0.954 -10.778   9.173
  151   HG13  ILE  19          HG13      ILE  19  -1.077 -12.339  10.004
  152   HG21  ILE  19          HG21      ILE  19  -3.400 -10.893   7.238
  153   HG22  ILE  19          HG22      ILE  19  -4.549 -10.322   8.448
  154   HG23  ILE  19          HG23      ILE  19  -2.934  -9.594   8.346
  155   HD11  ILE  19          HD11      ILE  19  -1.337 -11.867   7.033
  156   HD12  ILE  19          HD12      ILE  19   0.008 -12.659   7.895
  157   HD13  ILE  19          HD13      ILE  19  -1.605 -13.422   7.869
  158    H    VAL  20           H        VAL  20  -2.614 -11.089  13.151
  159    HA   VAL  20           HA       VAL  20  -1.415 -13.468  13.603
  160    HB   VAL  20           HB       VAL  20  -1.433 -11.408  15.003
  161   HG11  VAL  20          HG11      VAL  20  -3.878 -11.123  15.305
  162   HG12  VAL  20          HG12      VAL  20  -3.914 -12.582  16.321
  163   HG13  VAL  20          HG13      VAL  20  -3.005 -11.149  16.844
  164   HG21  VAL  20          HG21      VAL  20  -0.931 -12.526  17.111
  165   HG22  VAL  20          HG22      VAL  20  -1.787 -13.989  16.573
  166   HG23  VAL  20          HG23      VAL  20  -0.300 -13.466  15.748
  167    H    ASP  21           H        ASP  21  -4.935 -13.009  13.841
  168    HA   ASP  21           HA       ASP  21  -5.234 -15.846  14.687
  169    HB2  ASP  21           HB2      ASP  21  -6.027 -14.086  16.248
  170    HB3  ASP  21           HB3      ASP  21  -7.150 -13.516  15.012
  171    H    ALA  22           H        ALA  22  -4.967 -14.410  11.931
  172    HA   ALA  22           HA       ALA  22  -7.546 -15.176  10.635
  173    HB1  ALA  22           HB1      ALA  22  -7.180 -12.761  10.692
  174    HB2  ALA  22           HB2      ALA  22  -5.566 -12.976   9.963
  175    HB3  ALA  22           HB3      ALA  22  -7.005 -13.414   9.050
  176    H    GLU  23           H        GLU  23  -7.453 -16.502   9.094
  177    HA   GLU  23           HA       GLU  23  -5.110 -17.078   7.421
  178    HB2  GLU  23           HB2      GLU  23  -4.893 -19.302   7.899
  179    HB3  GLU  23           HB3      GLU  23  -4.851 -18.446   9.439
  180    HG2  GLU  23           HG2      GLU  23  -7.286 -19.914   8.388
  181    HG3  GLU  23           HG3      GLU  23  -6.030 -20.694   9.336
  182    H    ASP  24           H        ASP  24  -8.486 -17.296   8.069
  183    HA   ASP  24           HA       ASP  24  -9.373 -18.516   5.624
  184    HB2  ASP  24           HB2      ASP  24 -11.019 -16.569   7.207
  185    HB3  ASP  24           HB3      ASP  24 -11.488 -18.083   6.486
  186    H    LYS  25           H        LYS  25 -10.003 -17.194   3.769
  187    HA   LYS  25           HA       LYS  25  -8.339 -14.917   3.459
  188    HB2  LYS  25           HB2      LYS  25  -9.073 -14.719   1.270
  189    HB3  LYS  25           HB3      LYS  25  -9.168 -16.433   1.615
  190    HG2  LYS  25           HG2      LYS  25 -11.743 -15.563   2.256
  191    HG3  LYS  25           HG3      LYS  25 -11.293 -14.428   1.005
  192    HD2  LYS  25           HD2      LYS  25 -12.420 -16.253  -0.073
  193    HD3  LYS  25           HD3      LYS  25 -10.707 -16.424  -0.460
  194    HE2  LYS  25           HE2      LYS  25 -11.512 -18.610   0.097
  195    HE3  LYS  25           HE3      LYS  25 -10.498 -18.082   1.441
  196    HZ1  LYS  25           HZ1      LYS  25 -12.553 -19.097   2.210
  197    HZ2  LYS  25           HZ2      LYS  25 -12.564 -17.527   2.670
  198    HZ3  LYS  25           HZ3      LYS  25 -13.465 -18.029   1.393
  199    H    GLU  26           H        GLU  26 -11.665 -15.209   4.581
  200    HA   GLU  26           HA       GLU  26 -12.401 -12.463   4.194
  201    HB2  GLU  26           HB2      GLU  26 -13.489 -14.401   6.296
  202    HB3  GLU  26           HB3      GLU  26 -14.261 -12.964   5.642
  203    HG2  GLU  26           HG2      GLU  26 -15.381 -14.479   4.397
  204    HG3  GLU  26           HG3      GLU  26 -13.999 -14.318   3.323
  205    H    GLU  27           H        GLU  27 -10.957 -14.374   6.895
  206    HA   GLU  27           HA       GLU  27 -11.002 -12.154   8.724
  207    HB2  GLU  27           HB2      GLU  27  -9.355 -14.711   8.825
  208    HB3  GLU  27           HB3      GLU  27  -9.569 -13.511  10.115
  209    HG2  GLU  27           HG2      GLU  27 -12.143 -13.953   9.743
  210    HG3  GLU  27           HG3      GLU  27 -11.574 -15.401   8.899
  211    H    ARG  28           H        ARG  28  -8.509 -13.539   6.474
  212    HA   ARG  28           HA       ARG  28  -6.504 -11.685   7.443
  213    HB2  ARG  28           HB2      ARG  28  -6.724 -13.288   4.868
  214    HB3  ARG  28           HB3      ARG  28  -5.394 -12.147   5.178
  215    HG2  ARG  28           HG2      ARG  28  -4.958 -13.298   7.356
  216    HG3  ARG  28           HG3      ARG  28  -6.153 -14.529   6.915
  217    HD2  ARG  28           HD2      ARG  28  -4.795 -15.337   5.135
  218    HD3  ARG  28           HD3      ARG  28  -3.709 -13.924   5.210
  219    HE   ARG  28           HE       ARG  28  -3.715 -15.155   7.752
  220   HH11  ARG  28          HH11      ARG  28  -2.670 -16.105   4.454
  221   HH12  ARG  28          HH12      ARG  28  -1.347 -17.050   5.046
  222   HH21  ARG  28          HH21      ARG  28  -2.046 -16.449   8.483
  223   HH22  ARG  28          HH22      ARG  28  -1.006 -17.287   7.389
  224    H    ALA  29           H        ALA  29  -8.862 -11.389   4.716
  225    HA   ALA  29           HA       ALA  29  -8.032  -8.819   3.928
  226    HB1  ALA  29           HB1      ALA  29  -9.597 -10.261   2.661
  227    HB2  ALA  29           HB2      ALA  29 -10.831 -10.031   3.913
  228    HB3  ALA  29           HB3      ALA  29 -10.268  -8.646   2.937
  229    H    MET  30           H        MET  30 -10.459  -9.772   6.465
  230    HA   MET  30           HA       MET  30 -11.054  -7.056   7.143
  231    HB2  MET  30           HB2      MET  30 -11.499  -9.663   8.615
  232    HB3  MET  30           HB3      MET  30 -12.049  -8.099   9.220
  233    HG2  MET  30           HG2      MET  30 -12.867  -9.316   6.551
  234    HG3  MET  30           HG3      MET  30 -13.814  -9.320   8.027
  235    HE1  MET  30           HE1      MET  30 -12.998  -7.716   4.788
  236    HE2  MET  30           HE2      MET  30 -13.685  -6.081   4.843
  237    HE3  MET  30           HE3      MET  30 -12.083  -6.390   5.518
  238    H    GLY  31           H        GLY  31  -8.631  -9.320   8.516
  239    HA2  GLY  31           HA2      GLY  31  -7.843  -7.747  10.724
  240    HA3  GLY  31           HA3      GLY  31  -6.819  -8.887   9.821
  241    H    TRP  32           H        TRP  32  -6.639  -7.795   7.320
  242    HA   TRP  32           HA       TRP  32  -4.894  -5.563   7.523
  243    HB2  TRP  32           HB2      TRP  32  -6.384  -6.912   5.261
  244    HB3  TRP  32           HB3      TRP  32  -5.578  -5.373   4.997
  245    HD1  TRP  32           HD1      TRP  32  -4.813  -9.006   5.155
  246    HE1  TRP  32           HE1      TRP  32  -2.300  -9.385   4.819
  247    HE3  TRP  32           HE3      TRP  32  -3.238  -4.208   5.741
  248    HZ2  TRP  32           HZ2      TRP  32   0.123  -7.773   4.956
  249    HZ3  TRP  32           HZ3      TRP  32  -0.818  -3.629   5.600
  250    HH2  TRP  32           HH2      TRP  32   0.855  -5.401   5.171
  251    H    TYR  33           H        TYR  33  -8.369  -5.697   6.534
  252    HA   TYR  33           HA       TYR  33  -8.624  -3.009   5.886
  253    HB2  TYR  33           HB2      TYR  33 -10.342  -4.614   5.314
  254    HB3  TYR  33           HB3      TYR  33 -10.654  -4.960   7.011
  255    HD1  TYR  33           HD1      TYR  33 -10.838  -2.217   4.474
  256    HD2  TYR  33           HD2      TYR  33 -12.239  -3.727   8.261
  257    HE1  TYR  33           HE1      TYR  33 -12.486  -0.381   4.600
  258    HE2  TYR  33           HE2      TYR  33 -13.842  -1.859   8.423
  259    HH   TYR  33           HH       TYR  33 -14.713   0.042   7.393
  260    H    TYR  34           H        TYR  34  -9.392  -4.467   9.135
  261    HA   TYR  34           HA       TYR  34 -10.237  -1.893  10.113
  262    HB2  TYR  34           HB2      TYR  34  -9.653  -4.528  11.510
  263    HB3  TYR  34           HB3      TYR  34 -10.226  -3.090  12.345
  264    HD1  TYR  34           HD1      TYR  34 -12.382  -1.915  11.294
  265    HD2  TYR  34           HD2      TYR  34 -11.309  -6.054  10.728
  266    HE1  TYR  34           HE1      TYR  34 -14.747  -2.456  10.803
  267    HE2  TYR  34           HE2      TYR  34 -13.665  -6.599  10.199
  268    HH   TYR  34           HH       TYR  34 -15.835  -5.779   9.964
  269    H    TYR  35           H        TYR  35  -7.116  -3.691  10.291
  270    HA   TYR  35           HA       TYR  35  -5.929  -1.838  12.167
  271    HB2  TYR  35           HB2      TYR  35  -5.108  -4.162  11.665
  272    HB3  TYR  35           HB3      TYR  35  -4.677  -3.644  10.040
  273    HD1  TYR  35           HD2      TYR  35  -2.725  -2.174   9.651
  274    HD2  TYR  35           HD1      TYR  35  -3.777  -3.519  13.613
  275    HE1  TYR  35           HE2      TYR  35  -0.493  -1.501  10.459
  276    HE2  TYR  35           HE1      TYR  35  -1.538  -2.860  14.435
  277    HH   TYR  35           HH       TYR  35   0.953  -1.396  12.291
  278    H    LEU  36           H        LEU  36  -6.127  -1.960   8.547
  279    HA   LEU  36           HA       LEU  36  -4.425   0.300   8.157
  280    HB2  LEU  36           HB2      LEU  36  -6.322  -1.301   6.471
  281    HB3  LEU  36           HB3      LEU  36  -6.024   0.344   5.961
  282    HG   LEU  36           HG       LEU  36  -3.761   0.061   5.606
  283   HD11  LEU  36          HD11      LEU  36  -2.899  -1.055   7.543
  284   HD12  LEU  36          HD12      LEU  36  -3.805  -2.538   7.170
  285   HD13  LEU  36          HD13      LEU  36  -2.452  -1.998   6.138
  286   HD21  LEU  36          HD21      LEU  36  -5.271  -1.089   3.971
  287   HD22  LEU  36          HD22      LEU  36  -3.656  -1.815   4.026
  288   HD23  LEU  36          HD23      LEU  36  -5.019  -2.611   4.840
  289    H    ASP  37           H        ASP  37  -8.088   0.052   8.360
  290    HA   ASP  37           HA       ASP  37  -8.428   2.889   8.182
  291    HB2  ASP  37           HB2      ASP  37 -10.462   1.502   8.362
  292    HB3  ASP  37           HB3      ASP  37  -9.973   0.920   9.946
  293    H    ASP  38           H        ASP  38  -7.668   0.783  11.099
  294    HA   ASP  38           HA       ASP  38  -8.059   3.097  12.487
  295    HB2  ASP  38           HB2      ASP  38  -8.218   0.904  13.575
  296    HB3  ASP  38           HB3      ASP  38  -6.459   0.964  13.806
  297    H    THR  39           H        THR  39  -5.272   2.143  10.804
  298    HA   THR  39           HA       THR  39  -3.355   3.774  12.341
  299    HB   THR  39           HB       THR  39  -3.139   2.371   9.638
  300    HG1  THR  39           HG1      THR  39  -3.553   0.848  11.184
  301   HG21  THR  39          HG21      THR  39  -0.977   3.204  11.613
  302   HG22  THR  39          HG22      THR  39  -0.733   2.520   9.995
  303   HG23  THR  39          HG23      THR  39  -1.433   4.145  10.180
  304    H    LEU  40           H        LEU  40  -5.084   3.871   9.203
  305    HA   LEU  40           HA       LEU  40  -4.176   6.410   8.312
  306    HB2  LEU  40           HB2      LEU  40  -6.807   4.982   7.807
  307    HB3  LEU  40           HB3      LEU  40  -6.204   6.344   6.870
  308    HG   LEU  40           HG       LEU  40  -4.686   3.715   7.047
  309   HD11  LEU  40          HD11      LEU  40  -6.724   4.565   4.933
  310   HD12  LEU  40          HD12      LEU  40  -5.735   3.089   4.902
  311   HD13  LEU  40          HD13      LEU  40  -6.968   3.292   6.148
  312   HD21  LEU  40          HD21      LEU  40  -3.722   4.384   4.908
  313   HD22  LEU  40          HD22      LEU  40  -4.528   5.953   5.024
  314   HD23  LEU  40          HD23      LEU  40  -3.300   5.474   6.223
  315    H    GLU  41           H        GLU  41  -4.990   8.456   8.628
  316    HA   GLU  41           HA       GLU  41  -7.430   8.863  10.290
  317    HB2  GLU  41           HB2      GLU  41  -4.792  10.378  10.310
  318    HB3  GLU  41           HB3      GLU  41  -6.270  10.978  11.071
  319    HG2  GLU  41           HG2      GLU  41  -4.962   8.320  11.774
  320    HG3  GLU  41           HG3      GLU  41  -4.661   9.825  12.624
  321    H    PHE  42           H        PHE  42  -7.916   8.423   7.823
  322    HA   PHE  42           HA       PHE  42  -7.768  10.558   5.949
  323    HB2  PHE  42           HB2      PHE  42  -9.566   9.257   4.802
  324    HB3  PHE  42           HB3      PHE  42  -8.178   8.310   5.245
  325    HD1  PHE  42           HD2      PHE  42 -11.630   9.218   6.498
  326    HD2  PHE  42           HD1      PHE  42  -8.534   6.217   6.244
  327    HE1  PHE  42           HE2      PHE  42 -13.167   7.543   7.470
  328    HE2  PHE  42           HE1      PHE  42 -10.082   4.550   7.226
  329    HZ   PHE  42           HZ       PHE  42 -12.407   5.205   7.823
  330    HA   PRO  43           HA       PRO  43  -9.836  11.190   4.155
  331    HB2  PRO  43           HB2      PRO  43 -10.319  13.775   3.424
  332    HB3  PRO  43           HB3      PRO  43 -11.614  12.603   3.803
  333    HG2  PRO  43           HG2      PRO  43 -10.417  14.687   5.646
  334    HG3  PRO  43           HG3      PRO  43 -12.151  14.353   5.322
  335    HD2  PRO  43           HD2      PRO  43 -10.893  13.306   7.486
  336    HD3  PRO  43           HD3      PRO  43 -12.091  12.343   6.574
  337    H    PHE  44           H        PHE  44  -8.107  11.807   2.715
  338    HA   PHE  44           HA       PHE  44  -6.237  13.872   3.577
  339    HB2  PHE  44           HB2      PHE  44  -4.246  12.508   3.606
  340    HB3  PHE  44           HB3      PHE  44  -5.344  11.979   4.858
  341    HD1  PHE  44           HD1      PHE  44  -3.936  11.134   1.533
  342    HD2  PHE  44           HD2      PHE  44  -6.099   9.666   4.934
  343    HE1  PHE  44           HE1      PHE  44  -3.747   8.855   0.630
  344    HE2  PHE  44           HE2      PHE  44  -5.943   7.366   4.034
  345    HZ   PHE  44           HZ       PHE  44  -4.770   6.940   1.880
  346    H    MET  45           H        MET  45  -4.554  14.242   1.812
  347    HA   MET  45           HA       MET  45  -5.876  13.906  -0.817
  348    HB2  MET  45           HB2      MET  45  -5.022  16.133  -0.056
  349    HB3  MET  45           HB3      MET  45  -3.397  15.446   0.103
  350    HG2  MET  45           HG2      MET  45  -3.453  14.918  -2.356
  351    HG3  MET  45           HG3      MET  45  -4.997  15.766  -2.459
  352    HE1  MET  45           HE1      MET  45  -2.276  17.959  -4.272
  353    HE2  MET  45           HE2      MET  45  -2.505  16.192  -4.186
  354    HE3  MET  45           HE3      MET  45  -3.906  17.258  -4.412
  355    H    GLY  46           H        GLY  46  -4.890  12.650  -2.554
  356    HA2  GLY  46           HA2      GLY  46  -2.198  11.618  -2.116
  357    HA3  GLY  46           HA3      GLY  46  -3.473  10.383  -2.174
  358    H    LYS  47           H        LYS  47  -1.564  10.242  -3.987
  359    HA   LYS  47           HA       LYS  47  -2.761  11.284  -6.511
  360    HB2  LYS  47           HB2      LYS  47  -0.176  11.493  -6.024
  361    HB3  LYS  47           HB3      LYS  47  -0.137   9.753  -6.208
  362    HG2  LYS  47           HG2      LYS  47   0.398  10.572  -8.357
  363    HG3  LYS  47           HG3      LYS  47  -1.300  10.114  -8.475
  364    HD2  LYS  47           HD2      LYS  47  -1.098  12.191  -9.596
  365    HD3  LYS  47           HD3      LYS  47  -1.886  12.569  -8.058
  366    HE2  LYS  47           HE2      LYS  47   0.184  13.411  -7.113
  367    HE3  LYS  47           HE3      LYS  47   1.114  12.840  -8.506
  368    HZ1  LYS  47           HZ1      LYS  47   0.045  14.448  -9.878
  369    HZ2  LYS  47           HZ2      LYS  47  -1.009  14.901  -8.715
  370    HZ3  LYS  47           HZ3      LYS  47   0.593  15.243  -8.566
  371    H    TRP  48           H        TRP  48  -4.031   9.855  -7.593
  372    HA   TRP  48           HA       TRP  48  -4.123   6.995  -6.766
  373    HB2  TRP  48           HB2      TRP  48  -6.264   8.243  -7.137
  374    HB3  TRP  48           HB3      TRP  48  -5.771   8.598  -8.779
  375    HD1  TRP  48           HD1      TRP  48  -4.844   5.093  -8.159
  376    HE1  TRP  48           HE1      TRP  48  -6.553   3.467  -9.036
  377    HE3  TRP  48           HE3      TRP  48  -8.713   8.362  -8.865
  378    HZ2  TRP  48           HZ2      TRP  48  -9.306   3.553 -10.009
  379    HZ3  TRP  48           HZ3      TRP  48 -10.886   7.552  -9.746
  380    HH2  TRP  48           HH2      TRP  48 -11.190   5.153 -10.322
  381    H    LYS  49           H        LYS  49  -2.377   5.938  -7.683
  382    HA   LYS  49           HA       LYS  49  -1.263   6.860 -10.272
  383    HB2  LYS  49           HB2      LYS  49  -0.056   5.353  -7.918
  384    HB3  LYS  49           HB3      LYS  49   0.773   5.675  -9.442
  385    HG2  LYS  49           HG2      LYS  49   0.549   8.129  -9.052
  386    HG3  LYS  49           HG3      LYS  49  -0.290   7.798  -7.536
  387    HD2  LYS  49           HD2      LYS  49   1.946   8.325  -6.927
  388    HD3  LYS  49           HD3      LYS  49   1.734   6.595  -6.699
  389    HE2  LYS  49           HE2      LYS  49   3.846   6.794  -7.696
  390    HE3  LYS  49           HE3      LYS  49   2.799   6.268  -9.011
  391    HZ1  LYS  49           HZ1      LYS  49   4.247   8.057  -9.714
  392    HZ2  LYS  49           HZ2      LYS  49   2.724   8.648  -9.749
  393    HZ3  LYS  49           HZ3      LYS  49   3.740   9.041  -8.526
  394    H    LYS  50           H        LYS  50  -3.199   5.760 -11.055
  395    HA   LYS  50           HA       LYS  50  -3.718   2.989 -10.569
  396    HB2  LYS  50           HB2      LYS  50  -5.346   4.734 -11.422
  397    HB3  LYS  50           HB3      LYS  50  -4.574   4.597 -13.008
  398    HG2  LYS  50           HG2      LYS  50  -5.117   2.128 -12.988
  399    HG3  LYS  50           HG3      LYS  50  -5.966   2.362 -11.452
  400    HD2  LYS  50           HD2      LYS  50  -7.538   3.922 -12.537
  401    HD3  LYS  50           HD3      LYS  50  -6.642   3.780 -14.069
  402    HE2  LYS  50           HE2      LYS  50  -7.117   1.339 -14.113
  403    HE3  LYS  50           HE3      LYS  50  -8.045   1.490 -12.615
  404    HZ1  LYS  50           HZ1      LYS  50  -9.480   1.507 -14.554
  405    HZ2  LYS  50           HZ2      LYS  50  -9.588   2.947 -13.803
  406    HZ3  LYS  50           HZ3      LYS  50  -8.725   2.803 -15.186
  407    H    LYS  51           H        LYS  51  -2.418   1.290 -11.116
  408    HA   LYS  51           HA       LYS  51  -0.612   1.362 -13.416
  409    HB2  LYS  51           HB2      LYS  51  -0.251  -0.082 -11.408
  410    HB3  LYS  51           HB3      LYS  51  -1.704  -1.009 -11.817
  411    HG2  LYS  51           HG2      LYS  51  -0.689  -1.666 -13.982
  412    HG3  LYS  51           HG3      LYS  51   0.748  -0.703 -13.615
  413    HD2  LYS  51           HD2      LYS  51  -0.219  -3.077 -11.958
  414    HD3  LYS  51           HD3      LYS  51   1.009  -3.170 -13.227
  415    HE2  LYS  51           HE2      LYS  51   2.420  -1.530 -11.989
  416    HE3  LYS  51           HE3      LYS  51   1.217  -1.481 -10.694
  417    HZ1  LYS  51           HZ1      LYS  51   3.010  -2.999 -10.169
  418    HZ2  LYS  51           HZ2      LYS  51   1.626  -3.845 -10.316
  419    HZ3  LYS  51           HZ3      LYS  51   2.746  -3.886 -11.508
  420    H    SER  52           H        SER  52  -1.302   1.150 -15.523
  421    HA   SER  52           HA       SER  52  -4.020   0.064 -16.083
  422    HB2  SER  52           HB2      SER  52  -2.849   2.715 -17.041
  423    HB3  SER  52           HB3      SER  52  -4.471   2.091 -17.371
  424    HG   SER  52           HG       SER  52  -3.378   3.037 -14.932
  425    H    ARG  53           H        ARG  53  -4.411  -0.256 -18.340
  426    HA   ARG  53           HA       ARG  53  -4.087  -0.948 -20.427
  427    HB2  ARG  53           HB2      ARG  53  -3.162   1.335 -20.564
  428    HB3  ARG  53           HB3      ARG  53  -1.546   0.706 -20.274
  429    HG2  ARG  53           HG2      ARG  53  -1.504  -0.389 -22.434
  430    HG3  ARG  53           HG3      ARG  53  -3.233  -0.075 -22.688
  431    HD2  ARG  53           HD2      ARG  53  -1.716   1.475 -23.954
  432    HD3  ARG  53           HD3      ARG  53  -2.863   2.283 -22.878
  433    HE   ARG  53           HE       ARG  53  -0.083   1.695 -21.973
  434   HH11  ARG  53          HH11      ARG  53  -2.463   4.219 -22.805
  435   HH12  ARG  53          HH12      ARG  53  -1.738   5.411 -21.784
  436   HH21  ARG  53          HH21      ARG  53   0.755   3.257 -20.528
  437   HH22  ARG  53          HH22      ARG  53   0.059   4.846 -20.428
  438    H    LYS  54           H        LYS  54  -2.722  -2.311 -21.948
  439    HA   LYS  54           HA       LYS  54  -1.749  -4.628 -20.620
  440    HB2  LYS  54           HB2      LYS  54  -1.311  -3.666 -23.484
  441    HB3  LYS  54           HB3      LYS  54  -0.891  -5.275 -22.884
  442    HG2  LYS  54           HG2      LYS  54  -3.266  -5.689 -22.281
  443    HG3  LYS  54           HG3      LYS  54  -3.707  -4.101 -22.939
  444    HD2  LYS  54           HD2      LYS  54  -2.869  -4.786 -25.171
  445    HD3  LYS  54           HD3      LYS  54  -2.430  -6.380 -24.515
  446    HE2  LYS  54           HE2      LYS  54  -4.807  -6.778 -23.903
  447    HE3  LYS  54           HE3      LYS  54  -5.245  -5.196 -24.559
  448    HZ1  LYS  54           HZ1      LYS  54  -4.524  -5.976 -26.742
  449    HZ2  LYS  54           HZ2      LYS  54  -4.119  -7.439 -26.135
  450    HZ3  LYS  54           HZ3      LYS  54  -5.675  -6.960 -26.144
  451    H    THR  55           H        THR  55  -0.094  -1.621 -21.423
  452    HA   THR  55           HA       THR  55   2.583  -2.618 -21.284
  453    HB   THR  55           HB       THR  55   2.963  -0.065 -20.985
  454    HG1  THR  55           HG1      THR  55   1.089   0.788 -20.345
  455   HG21  THR  55          HG21      THR  55   1.352  -1.019 -23.395
  456   HG22  THR  55          HG22      THR  55   2.398   0.414 -23.316
  457   HG23  THR  55          HG23      THR  55   3.107  -1.203 -23.179
  458    H    SER  56           H        SER  56   0.195  -2.255 -18.810
  459    HA   SER  56           HA       SER  56   0.216  -2.104 -16.595
  460    HB2  SER  56           HB2      SER  56   2.958  -3.411 -16.775
  461    HB3  SER  56           HB3      SER  56   1.875  -3.409 -15.376
  462    HG   SER  56           HG       SER  56   1.730  -5.338 -16.630
  463    H    THR  57           H        THR  57   0.961   0.228 -17.933
  464    HA   THR  57           HA       THR  57   3.236   1.498 -16.574
  465    HB   THR  57           HB       THR  57   2.184   3.454 -18.065
  466    HG1  THR  57           HG1      THR  57   0.315   2.148 -18.575
  467   HG21  THR  57          HG21      THR  57   3.641   1.021 -19.171
  468   HG22  THR  57          HG22      THR  57   3.429   2.553 -20.055
  469   HG23  THR  57          HG23      THR  57   4.358   2.517 -18.546
  470    H    ILE  58           H        ILE  58   3.006   3.188 -15.064
  471    HA   ILE  58           HA       ILE  58   0.460   3.458 -13.656
  472    HB   ILE  58           HB       ILE  58   3.056   5.030 -13.535
  473   HG12  ILE  58          HG12      ILE  58   3.315   2.663 -12.830
  474   HG13  ILE  58          HG13      ILE  58   3.600   3.810 -11.535
  475   HG21  ILE  58          HG21      ILE  58   0.612   5.173 -11.735
  476   HG22  ILE  58          HG22      ILE  58   2.206   5.846 -11.314
  477   HG23  ILE  58          HG23      ILE  58   1.321   6.478 -12.702
  478   HD11  ILE  58          HD11      ILE  58   2.358   1.803 -10.796
  479   HD12  ILE  58          HD12      ILE  58   1.436   3.285 -10.522
  480   HD13  ILE  58          HD13      ILE  58   1.025   2.214 -11.885
  481    H    GLU  59           H        GLU  59  -1.098   4.890 -14.044
  482    HA   GLU  59           HA       GLU  59  -0.622   7.309 -15.697
  483    HB2  GLU  59           HB2      GLU  59  -3.006   5.391 -15.767
  484    HB3  GLU  59           HB3      GLU  59  -3.038   7.008 -16.452
  485    HG2  GLU  59           HG2      GLU  59  -1.204   4.735 -17.351
  486    HG3  GLU  59           HG3      GLU  59  -2.683   5.240 -18.152
  487    H    GLU  60           H        GLU  60  -1.385   9.115 -14.445
  488    HA   GLU  60           HA       GLU  60  -2.666   8.319 -11.904
  489    HB2  GLU  60           HB2      GLU  60  -1.158   9.598 -10.620
  490    HB3  GLU  60           HB3      GLU  60  -0.297   8.397 -11.587
  491    HG2  GLU  60           HG2      GLU  60   0.312  10.126 -13.216
  492    HG3  GLU  60           HG3      GLU  60  -0.598  11.325 -12.286
  493    H    LYS  61           H        LYS  61  -3.726   9.755 -10.628
  494    HA   LYS  61           HA       LYS  61  -4.520  12.378 -11.817
  495    HB2  LYS  61           HB2      LYS  61  -6.368  10.262 -10.602
  496    HB3  LYS  61           HB3      LYS  61  -6.834  11.929 -10.953
  497    HG2  LYS  61           HG2      LYS  61  -6.300  11.528 -13.377
  498    HG3  LYS  61           HG3      LYS  61  -6.032   9.821 -13.005
  499    HD2  LYS  61           HD2      LYS  61  -8.615  11.384 -12.574
  500    HD3  LYS  61           HD3      LYS  61  -8.316  10.274 -13.905
  501    HE2  LYS  61           HE2      LYS  61  -8.383   9.491 -10.951
  502    HE3  LYS  61           HE3      LYS  61  -9.742   9.346 -12.062
  503    HZ1  LYS  61           HZ1      LYS  61  -8.447   7.788 -13.382
  504    HZ2  LYS  61           HZ2      LYS  61  -7.173   7.897 -12.358
  505    HZ3  LYS  61           HZ3      LYS  61  -8.589   7.258 -11.845
  506    H    THR  62           H        THR  62  -5.172  13.881 -10.096
  507    HA   THR  62           HA       THR  62  -3.941  13.192  -7.469
  508    HB   THR  62           HB       THR  62  -4.715  15.928  -8.556
  509    HG1  THR  62           HG1      THR  62  -3.140  15.204  -9.897
  510   HG21  THR  62          HG21      THR  62  -3.088  16.707  -6.881
  511   HG22  THR  62          HG22      THR  62  -4.384  15.776  -6.105
  512   HG23  THR  62          HG23      THR  62  -2.790  15.029  -6.361
  513    H    VAL  63           H        VAL  63  -5.272  12.925  -5.693
  514    HA   VAL  63           HA       VAL  63  -8.136  13.563  -6.056
  515    HB   VAL  63           HB       VAL  63  -8.781  11.342  -5.407
  516   HG11  VAL  63          HG11      VAL  63  -8.408  11.787  -7.852
  517   HG12  VAL  63          HG12      VAL  63  -6.810  11.035  -7.708
  518   HG13  VAL  63          HG13      VAL  63  -8.275  10.090  -7.383
  519   HG21  VAL  63          HG21      VAL  63  -6.818  10.679  -4.014
  520   HG22  VAL  63          HG22      VAL  63  -7.258   9.460  -5.210
  521   HG23  VAL  63          HG23      VAL  63  -5.851  10.502  -5.493
  522    H    GLU  64           H        GLU  64  -9.366  13.464  -4.159
  523    HA   GLU  64           HA       GLU  64  -7.867  13.724  -1.573
  524    HB2  GLU  64           HB2      GLU  64  -9.174  15.755  -2.201
  525    HB3  GLU  64           HB3      GLU  64 -10.632  14.775  -2.344
  526    HG2  GLU  64           HG2      GLU  64 -10.524  14.201   0.046
  527    HG3  GLU  64           HG3      GLU  64  -8.958  14.998   0.198
  528    H    VAL  65           H        VAL  65  -8.072  11.853  -0.367
  529    HA   VAL  65           HA       VAL  65 -10.102   9.884  -1.172
  530    HB   VAL  65           HB       VAL  65  -9.043   8.281  -0.050
  531   HG11  VAL  65          HG11      VAL  65  -6.618  10.027  -0.610
  532   HG12  VAL  65          HG12      VAL  65  -6.698   8.257  -0.602
  533   HG13  VAL  65          HG13      VAL  65  -7.541   9.172  -1.864
  534   HG21  VAL  65          HG21      VAL  65  -7.524  10.102   1.786
  535   HG22  VAL  65          HG22      VAL  65  -8.974   9.143   2.198
  536   HG23  VAL  65          HG23      VAL  65  -7.493   8.329   1.734
  537    H    LEU  66           H        LEU  66 -11.961   9.576  -0.063
  538    HA   LEU  66           HA       LEU  66 -12.531  11.480   2.133
  539    HB2  LEU  66           HB2      LEU  66 -14.364   9.492   0.732
  540    HB3  LEU  66           HB3      LEU  66 -14.829  10.704   1.907
  541    HG   LEU  66           HG       LEU  66 -15.474  11.645  -0.092
  542   HD11  LEU  66          HD11      LEU  66 -12.696  12.866   0.245
  543   HD12  LEU  66          HD12      LEU  66 -14.128  13.623  -0.474
  544   HD13  LEU  66          HD13      LEU  66 -14.109  13.251   1.259
  545   HD21  LEU  66          HD21      LEU  66 -12.816  11.072  -1.444
  546   HD22  LEU  66          HD22      LEU  66 -14.261  10.041  -1.587
  547   HD23  LEU  66          HD23      LEU  66 -14.296  11.714  -2.159
  548    H    GLY  67           H        GLY  67 -11.860   8.029   1.653
  549    HA2  GLY  67           HA2      GLY  67 -11.018   7.424   4.110
  550    HA3  GLY  67           HA3      GLY  67 -12.778   7.203   4.270
  551    H    MET  68           H        MET  68 -11.558   5.016   4.659
  552    HA   MET  68           HA       MET  68 -10.956   3.351   2.365
  553    HB2  MET  68           HB2      MET  68 -11.961   2.672   5.165
  554    HB3  MET  68           HB3      MET  68 -11.472   1.478   3.965
  555    HG2  MET  68           HG2      MET  68  -9.581   3.649   4.920
  556    HG3  MET  68           HG3      MET  68  -9.775   2.133   5.786
  557    HE1  MET  68           HE1      MET  68  -8.128  -0.545   3.647
  558    HE2  MET  68           HE2      MET  68  -8.827  -0.083   5.215
  559    HE3  MET  68           HE3      MET  68  -9.869  -0.226   3.779
  560    H    ALA  69           H        ALA  69 -12.325   1.919   1.273
  561    HA   ALA  69           HA       ALA  69 -15.119   2.694   0.990
  562    HB1  ALA  69           HB1      ALA  69 -13.614   1.711  -0.842
  563    HB2  ALA  69           HB2      ALA  69 -13.788   0.151   0.013
  564    HB3  ALA  69           HB3      ALA  69 -15.202   0.956  -0.672
  565    HA   PRO  70           HA       PRO  70 -17.064   0.107   4.020
  566    HB2  PRO  70           HB2      PRO  70 -18.397  -1.437   1.783
  567    HB3  PRO  70           HB3      PRO  70 -19.125  -0.794   3.290
  568    HG2  PRO  70           HG2      PRO  70 -19.443   0.546   0.965
  569    HG3  PRO  70           HG3      PRO  70 -19.023   1.454   2.456
  570    HD2  PRO  70           HD2      PRO  70 -17.201   0.566   0.215
  571    HD3  PRO  70           HD3      PRO  70 -17.259   2.143   1.061
  572    H    ASP  71           H        ASP  71 -16.799  -1.821   5.142
  573    HA   ASP  71           HA       ASP  71 -14.807  -3.706   4.440
  574    HB2  ASP  71           HB2      ASP  71 -15.450  -4.929   6.320
  575    HB3  ASP  71           HB3      ASP  71 -15.723  -3.249   6.767
  576    H    ASP  72           H        ASP  72 -18.185  -3.470   3.574
  577    HA   ASP  72           HA       ASP  72 -18.797  -6.127   2.881
  578    HB2  ASP  72           HB2      ASP  72 -20.453  -4.318   3.069
  579    HB3  ASP  72           HB3      ASP  72 -19.758  -3.512   1.661
  580    H    GLU  73           H        GLU  73 -16.716  -3.832   1.234
  581    HA   GLU  73           HA       GLU  73 -16.411  -5.799  -0.993
  582    HB2  GLU  73           HB2      GLU  73 -15.827  -4.028  -2.499
  583    HB3  GLU  73           HB3      GLU  73 -17.452  -3.810  -1.857
  584    HG2  GLU  73           HG2      GLU  73 -16.599  -2.067  -0.294
  585    HG3  GLU  73           HG3      GLU  73 -14.973  -2.272  -0.960
  586    H    CYS  74           H        CYS  74 -14.766  -3.887   1.502
  587    HA   CYS  74           HA       CYS  74 -12.163  -4.460   0.489
  588    HB2  CYS  74           HB2      CYS  74 -12.993  -3.704   3.307
  589    HB3  CYS  74           HB3      CYS  74 -11.332  -3.784   2.697
  590    HG   CYS  74           HG       CYS  74 -13.851  -1.873   1.783
  591    H    LEU  75           H        LEU  75 -14.132  -6.771   1.006
  592    HA   LEU  75           HA       LEU  75 -12.525  -8.651   2.621
  593    HB2  LEU  75           HB2      LEU  75 -15.115  -8.799   1.037
  594    HB3  LEU  75           HB3      LEU  75 -14.305 -10.269   1.564
  595    HG   LEU  75           HG       LEU  75 -14.936  -8.094   3.575
  596   HD11  LEU  75          HD11      LEU  75 -17.041  -9.228   4.106
  597   HD12  LEU  75          HD12      LEU  75 -17.057  -8.590   2.459
  598   HD13  LEU  75          HD13      LEU  75 -16.814 -10.334   2.726
  599   HD21  LEU  75          HD21      LEU  75 -14.905  -9.942   5.168
  600   HD22  LEU  75          HD22      LEU  75 -14.677 -11.119   3.855
  601   HD23  LEU  75          HD23      LEU  75 -13.398  -9.952   4.245
  602    H    LYS  76           H        LYS  76 -12.577  -7.326  -0.541
  603    HA   LYS  76           HA       LYS  76 -11.477  -9.770  -1.845
  604    HB2  LYS  76           HB2      LYS  76 -12.438  -7.140  -3.030
  605    HB3  LYS  76           HB3      LYS  76 -11.984  -8.587  -3.930
  606    HG2  LYS  76           HG2      LYS  76 -13.873  -9.829  -2.894
  607    HG3  LYS  76           HG3      LYS  76 -14.363  -8.372  -2.019
  608    HD2  LYS  76           HD2      LYS  76 -14.263  -8.670  -5.050
  609    HD3  LYS  76           HD3      LYS  76 -15.717  -8.736  -4.041
  610    HE2  LYS  76           HE2      LYS  76 -15.266  -6.393  -3.272
  611    HE3  LYS  76           HE3      LYS  76 -13.866  -6.325  -4.348
  612    HZ1  LYS  76           HZ1      LYS  76 -15.366  -6.653  -6.227
  613    HZ2  LYS  76           HZ2      LYS  76 -16.668  -6.700  -5.240
  614    HZ3  LYS  76           HZ3      LYS  76 -15.797  -5.329  -5.385
  615    H    ASP  77           H        ASP  77 -10.726  -6.362  -1.133
  616    HA   ASP  77           HA       ASP  77  -7.882  -6.618  -1.519
  617    HB2  ASP  77           HB2      ASP  77  -9.060  -6.296  -3.910
  618    HB3  ASP  77           HB3      ASP  77  -9.227  -4.633  -3.366
  619    H    MET  78           H        MET  78  -7.083  -4.109  -1.226
  620    HA   MET  78           HA       MET  78  -8.837  -2.895   0.887
  621    HB2  MET  78           HB2      MET  78  -5.944  -2.377   0.102
  622    HB3  MET  78           HB3      MET  78  -6.849  -1.417   1.281
  623    HG2  MET  78           HG2      MET  78  -6.229  -4.384   1.506
  624    HG3  MET  78           HG3      MET  78  -5.407  -3.083   2.348
  625    HE1  MET  78           HE1      MET  78  -7.574  -5.902   2.883
  626    HE2  MET  78           HE2      MET  78  -9.067  -5.364   3.673
  627    HE3  MET  78           HE3      MET  78  -8.824  -5.042   1.954
  628    H    TYR  79           H        TYR  79  -9.960  -1.020   0.417
  629    HA   TYR  79           HA       TYR  79  -9.361   0.400  -2.128
  630    HB2  TYR  79           HB2      TYR  79 -12.107  -0.467  -1.183
  631    HB3  TYR  79           HB3      TYR  79 -11.769   0.470  -2.619
  632    HD1  TYR  79           HD2      TYR  79 -10.804  -0.648  -4.653
  633    HD2  TYR  79           HD1      TYR  79 -12.002  -2.841  -1.140
  634    HE1  TYR  79           HE2      TYR  79 -11.026  -2.710  -6.016
  635    HE2  TYR  79           HE1      TYR  79 -12.213  -4.897  -2.487
  636    HH   TYR  79           HH       TYR  79 -11.568  -5.000  -6.009
  637    H    VAL  80           H        VAL  80 -10.303   2.496  -2.260
  638    HA   VAL  80           HA       VAL  80 -11.140   3.797   0.263
  639    HB   VAL  80           HB       VAL  80  -9.505   5.684  -0.447
  640   HG11  VAL  80          HG11      VAL  80  -8.430   3.135   0.819
  641   HG12  VAL  80          HG12      VAL  80  -7.665   4.739   0.902
  642   HG13  VAL  80          HG13      VAL  80  -9.245   4.488   1.638
  643   HG21  VAL  80          HG21      VAL  80  -8.762   4.679  -2.609
  644   HG22  VAL  80          HG22      VAL  80  -7.418   5.020  -1.509
  645   HG23  VAL  80          HG23      VAL  80  -7.988   3.351  -1.719
  646    H    GLU  81           H        GLU  81 -12.480   5.508  -0.078
  647    HA   GLU  81           HA       GLU  81 -13.618   5.864  -2.798
  648    HB2  GLU  81           HB2      GLU  81 -14.369   7.012  -0.069
  649    HB3  GLU  81           HB3      GLU  81 -15.167   7.425  -1.595
  650    HG2  GLU  81           HG2      GLU  81 -15.741   5.010  -1.924
  651    HG3  GLU  81           HG3      GLU  81 -15.038   4.644  -0.348
  652    H    VAL  82           H        VAL  82 -13.159   7.725  -4.010
  653    HA   VAL  82           HA       VAL  82 -11.395   9.776  -2.803
  654    HB   VAL  82           HB       VAL  82  -9.740   9.567  -4.508
  655   HG11  VAL  82          HG11      VAL  82  -8.639   7.522  -3.938
  656   HG12  VAL  82          HG12      VAL  82  -9.515   8.071  -2.503
  657   HG13  VAL  82          HG13      VAL  82 -10.161   6.743  -3.480
  658   HG21  VAL  82          HG21      VAL  82 -11.022   8.816  -6.447
  659   HG22  VAL  82          HG22      VAL  82  -9.670   7.723  -6.162
  660   HG23  VAL  82          HG23      VAL  82 -11.309   7.233  -5.682
  661    H    ALA  83           H        ALA  83 -11.374  11.791  -3.916
  662    HA   ALA  83           HA       ALA  83 -13.439  12.119  -6.056
  663    HB1  ALA  83           HB1      ALA  83 -13.783  14.395  -5.121
  664    HB2  ALA  83           HB2      ALA  83 -14.237  13.128  -3.971
  665    HB3  ALA  83           HB3      ALA  83 -12.697  14.001  -3.770
  666    H    ASP  84           H        ASP  84 -12.759  13.252  -7.824
  667    HA   ASP  84           HA       ASP  84  -9.862  13.321  -8.162
  668    HB2  ASP  84           HB2      ASP  84 -11.144  12.259  -9.880
  669    HB3  ASP  84           HB3      ASP  84 -12.235  13.641 -10.012
  670    H    ILE  85           H        ILE  85  -9.057  15.044  -7.066
  671    HA   ILE  85           HA       ILE  85  -9.931  17.770  -7.312
  672    HB   ILE  85           HB       ILE  85  -7.074  16.885  -6.860
  673   HG12  ILE  85          HG12      ILE  85  -9.155  17.126  -4.636
  674   HG13  ILE  85          HG13      ILE  85  -8.546  15.603  -5.266
  675   HG21  ILE  85          HG21      ILE  85  -8.632  19.245  -5.717
  676   HG22  ILE  85          HG22      ILE  85  -6.883  18.966  -5.591
  677   HG23  ILE  85          HG23      ILE  85  -7.583  19.349  -7.149
  678   HD11  ILE  85          HD11      ILE  85  -7.284  16.066  -3.285
  679   HD12  ILE  85          HD12      ILE  85  -6.206  16.317  -4.659
  680   HD13  ILE  85          HD13      ILE  85  -6.918  17.706  -3.797
  681    H    GLY  86           H        GLY  86  -7.955  15.572  -9.264
  682    HA2  GLY  86           HA2      GLY  86  -6.461  17.241 -10.864
  683    HA3  GLY  86           HA3      GLY  86  -7.116  15.670 -11.351
  684    H    GLY  87           H        GLY  87 -10.002  16.650 -11.171
  685    HA2  GLY  87           HA2      GLY  87 -10.158  18.991 -12.883
  686    HA3  GLY  87           HA3      GLY  87 -10.467  17.485 -13.754
  687    H    LYS  88           H        LYS  88 -11.961  16.076 -11.607
  688    HA   LYS  88           HA       LYS  88 -14.503  17.218 -12.386
  689    HB2  LYS  88           HB2      LYS  88 -14.051  15.166 -10.178
  690    HB3  LYS  88           HB3      LYS  88 -15.562  15.565 -10.967
  691    HG2  LYS  88           HG2      LYS  88 -13.285  13.909 -12.020
  692    HG3  LYS  88           HG3      LYS  88 -14.964  13.522 -11.811
  693    HD2  LYS  88           HD2      LYS  88 -14.801  13.636 -14.092
  694    HD3  LYS  88           HD3      LYS  88 -15.457  15.216 -13.699
  695    HE2  LYS  88           HE2      LYS  88 -13.727  15.327 -15.444
  696    HE3  LYS  88           HE3      LYS  88 -13.245  16.248 -14.028
  697    HZ1  LYS  88           HZ1      LYS  88 -12.291  13.505 -14.640
  698    HZ2  LYS  88           HZ2      LYS  88 -11.451  14.863 -14.956
  699    HZ3  LYS  88           HZ3      LYS  88 -11.745  14.447 -13.403
  700    H    ASP  89           H        ASP  89 -12.833  17.024  -9.246
  701    HA   ASP  89           HA       ASP  89 -13.230  17.832  -7.218
  702    HB2  ASP  89           HB2      ASP  89 -12.164  19.712  -8.431
  703    HB3  ASP  89           HB3      ASP  89 -13.759  20.408  -8.723
  704    H    ASP  90           H        ASP  90 -15.737  16.848  -8.688
  705    HA   ASP  90           HA       ASP  90 -17.776  17.791  -6.778
  706    HB2  ASP  90           HB2      ASP  90 -17.668  19.453  -8.681
  707    HB3  ASP  90           HB3      ASP  90 -18.052  18.140  -9.793
  708    H    ASP  91           H        ASP  91 -16.346  15.170  -7.875
  709    HA   ASP  91           HA       ASP  91 -18.739  13.516  -7.854
  710    HB2  ASP  91           HB2      ASP  91 -18.417  14.053 -10.292
  711    HB3  ASP  91           HB3      ASP  91 -16.799  13.350 -10.194
  712    H    VAL  92           H        VAL  92 -18.061  11.169  -7.631
  713    HA   VAL  92           HA       VAL  92 -15.464  10.951  -6.216
  714    HB   VAL  92           HB       VAL  92 -18.106   9.976  -5.107
  715   HG11  VAL  92          HG11      VAL  92 -15.375  10.281  -3.807
  716   HG12  VAL  92          HG12      VAL  92 -16.860   9.781  -2.974
  717   HG13  VAL  92          HG13      VAL  92 -16.174   8.748  -4.222
  718   HG21  VAL  92          HG21      VAL  92 -18.244  12.416  -5.035
  719   HG22  VAL  92          HG22      VAL  92 -17.918  11.821  -3.413
  720   HG23  VAL  92          HG23      VAL  92 -16.597  12.524  -4.372
  721    H    TYR  93           H        TYR  93 -14.689   8.907  -6.084
  722    HA   TYR  93           HA       TYR  93 -15.746   6.741  -7.822
  723    HB2  TYR  93           HB2      TYR  93 -12.904   7.861  -7.735
  724    HB3  TYR  93           HB3      TYR  93 -13.441   6.512  -8.713
  725    HD1  TYR  93           HD1      TYR  93 -14.790   6.844 -10.745
  726    HD2  TYR  93           HD2      TYR  93 -13.362  10.180  -8.406
  727    HE1  TYR  93           HE1      TYR  93 -15.177   8.346 -12.669
  728    HE2  TYR  93           HE2      TYR  93 -13.762  11.698 -10.329
  729    HH   TYR  93           HH       TYR  93 -15.017  10.513 -13.486
  730    H    THR  94           H        THR  94 -14.022   4.876  -7.494
  731    HA   THR  94           HA       THR  94 -13.034   4.725  -4.691
  732    HB   THR  94           HB       THR  94 -14.304   2.325  -6.041
  733    HG1  THR  94           HG1      THR  94 -15.926   3.859  -5.716
  734   HG21  THR  94          HG21      THR  94 -13.680   2.958  -3.118
  735   HG22  THR  94          HG22      THR  94 -14.382   1.449  -3.740
  736   HG23  THR  94          HG23      THR  94 -12.725   1.893  -4.174
  737    H    ALA  95           H        ALA  95 -11.039   3.852  -4.554
  738    HA   ALA  95           HA       ALA  95  -9.688   2.880  -7.030
  739    HB1  ALA  95           HB1      ALA  95  -9.057   5.240  -6.608
  740    HB2  ALA  95           HB2      ALA  95  -8.634   4.844  -4.931
  741    HB3  ALA  95           HB3      ALA  95  -7.689   4.160  -6.264
  742    H    LYS  96           H        LYS  96  -7.780   1.549  -6.446
  743    HA   LYS  96           HA       LYS  96  -8.260  -0.109  -4.027
  744    HB2  LYS  96           HB2      LYS  96  -6.175  -0.291  -6.251
  745    HB3  LYS  96           HB3      LYS  96  -6.170  -1.262  -4.788
  746    HG2  LYS  96           HG2      LYS  96  -7.045  -2.641  -6.451
  747    HG3  LYS  96           HG3      LYS  96  -8.342  -2.241  -5.346
  748    HD2  LYS  96           HD2      LYS  96  -9.103  -2.310  -7.669
  749    HD3  LYS  96           HD3      LYS  96  -9.342  -0.723  -6.972
  750    HE2  LYS  96           HE2      LYS  96  -8.588  -0.656  -9.320
  751    HE3  LYS  96           HE3      LYS  96  -7.481   0.202  -8.251
  752    HZ1  LYS  96           HZ1      LYS  96  -5.864  -1.402  -8.525
  753    HZ2  LYS  96           HZ2      LYS  96  -6.922  -2.590  -9.017
  754    HZ3  LYS  96           HZ3      LYS  96  -6.525  -1.353 -10.001
  755    H    LEU  97           H        LEU  97  -6.903   0.054  -2.252
  756    HA   LEU  97           HA       LEU  97  -5.305   2.407  -1.818
  757    HB2  LEU  97           HB2      LEU  97  -6.353   0.858  -0.054
  758    HB3  LEU  97           HB3      LEU  97  -5.062  -0.288  -0.428
  759    HG   LEU  97           HG       LEU  97  -3.370   1.458   0.256
  760   HD11  LEU  97          HD11      LEU  97  -4.304   3.362   1.676
  761   HD12  LEU  97          HD12      LEU  97  -4.592   3.541  -0.057
  762   HD13  LEU  97          HD13      LEU  97  -5.899   2.993   1.021
  763   HD21  LEU  97          HD21      LEU  97  -3.775   1.213   2.660
  764   HD22  LEU  97          HD22      LEU  97  -5.475   0.785   2.355
  765   HD23  LEU  97          HD23      LEU  97  -4.164  -0.291   1.815
  766    H    SER  98           H        SER  98  -4.729  -0.793  -3.152
  767    HA   SER  98           HA       SER  98  -1.966  -0.992  -3.385
  768    HB2  SER  98           HB2      SER  98  -4.133  -1.809  -5.368
  769    HB3  SER  98           HB3      SER  98  -2.577  -2.594  -5.141
  770    HG   SER  98           HG       SER  98  -4.511  -3.515  -3.968
  771    H    ASP  99           H        ASP  99  -4.065   1.245  -4.991
  772    HA   ASP  99           HA       ASP  99  -2.001   1.933  -7.032
  773    HB2  ASP  99           HB2      ASP  99  -5.040   1.868  -7.187
  774    HB3  ASP  99           HB3      ASP  99  -4.052   2.753  -8.336
  775    H    ILE 100           H        ILE 100  -2.773   2.964  -4.099
  776    HA   ILE 100           HA       ILE 100  -2.922   5.849  -4.872
  777    HB   ILE 100           HB       ILE 100  -4.367   4.254  -2.789
  778   HG12  ILE 100          HG12      ILE 100  -5.212   5.244  -5.069
  779   HG13  ILE 100          HG13      ILE 100  -6.249   5.223  -3.643
  780   HG21  ILE 100          HG21      ILE 100  -3.252   5.773  -1.286
  781   HG22  ILE 100          HG22      ILE 100  -3.682   7.180  -2.282
  782   HG23  ILE 100          HG23      ILE 100  -4.941   6.244  -1.446
  783   HD11  ILE 100          HD11      ILE 100  -5.941   7.580  -3.288
  784   HD12  ILE 100          HD12      ILE 100  -4.687   7.657  -4.549
  785   HD13  ILE 100          HD13      ILE 100  -6.375   7.296  -4.978
  786    H    GLU 101           H        GLU 101  -1.633   7.206  -3.900
  787    HA   GLU 101           HA       GLU 101   0.131   6.284  -1.708
  788    HB2  GLU 101           HB2      GLU 101   1.490   6.153  -3.771
  789    HB3  GLU 101           HB3      GLU 101   1.049   7.810  -4.186
  790    HG2  GLU 101           HG2      GLU 101   3.309   7.668  -3.187
  791    HG3  GLU 101           HG3      GLU 101   2.238   8.681  -2.240
  792    H    ALA 102           H        ALA 102   0.375   7.942  -0.139
  793    HA   ALA 102           HA       ALA 102  -1.681  10.054  -0.335
  794    HB1  ALA 102           HB1      ALA 102   0.204   9.238   1.910
  795    HB2  ALA 102           HB2      ALA 102  -1.017  10.535   1.993
  796    HB3  ALA 102           HB3      ALA 102  -1.538   8.879   1.786
  797    H    ILE 103           H        ILE 103  -1.214  12.247  -0.002
  798    HA   ILE 103           HA       ILE 103   1.593  13.135  -0.535
  799    HB   ILE 103           HB       ILE 103  -1.069  14.341  -1.367
  800   HG12  ILE 103          HG12      ILE 103   1.169  13.349  -3.193
  801   HG13  ILE 103          HG13      ILE 103  -0.184  12.331  -2.733
  802   HG21  ILE 103          HG21      ILE 103   0.567  16.116  -0.798
  803   HG22  ILE 103          HG22      ILE 103   1.754  15.376  -1.891
  804   HG23  ILE 103          HG23      ILE 103   0.253  16.086  -2.525
  805   HD11  ILE 103          HD11      ILE 103  -0.704  13.260  -4.861
  806   HD12  ILE 103          HD12      ILE 103  -1.773  14.013  -3.680
  807   HD13  ILE 103          HD13      ILE 103  -0.372  14.910  -4.323
  808    H    ASP 104           H        ASP 104   2.447  14.420   0.938
  809    HA   ASP 104           HA       ASP 104   2.806  15.468   2.884
  810    HB2  ASP 104           HB2      ASP 104   2.042  17.209   1.332
  811    HB3  ASP 104           HB3      ASP 104   0.395  17.037   1.944
  812    H    VAL 105           H        VAL 105   1.589  13.117   3.510
  813    HA   VAL 105           HA       VAL 105  -0.458  13.790   5.557
  814    HB   VAL 105           HB       VAL 105  -0.827  12.121   3.592
  815   HG11  VAL 105          HG11      VAL 105   1.071  10.623   3.889
  816   HG12  VAL 105          HG12      VAL 105   0.550  10.256   5.543
  817   HG13  VAL 105          HG13      VAL 105  -0.444   9.751   4.194
  818   HG21  VAL 105          HG21      VAL 105  -2.412  12.685   5.362
  819   HG22  VAL 105          HG22      VAL 105  -2.506  11.024   4.791
  820   HG23  VAL 105          HG23      VAL 105  -1.744  11.380   6.363
  821    H    ASP 106           H        ASP 106  -0.391  12.181   7.513
  822    HA   ASP 106           HA       ASP 106   2.128  12.729   8.842
  823    HB2  ASP 106           HB2      ASP 106   1.001  12.533  10.725
  824    HB3  ASP 106           HB3      ASP 106  -0.458  12.556   9.743
  825    H    ASP 107           H        ASP 107   3.316  11.066  10.042
  826    HA   ASP 107           HA       ASP 107   4.403   9.104   8.369
  827    HB2  ASP 107           HB2      ASP 107   5.558  10.061  10.303
  828    HB3  ASP 107           HB3      ASP 107   4.403   9.301  11.401
  829    H    ASP 108           H        ASP 108   1.701   8.704  10.744
  830    HA   ASP 108           HA       ASP 108   1.910   5.824  10.616
  831    HB2  ASP 108           HB2      ASP 108   0.793   7.526  12.412
  832    HB3  ASP 108           HB3      ASP 108  -0.650   7.118  11.474
  833    H    THR 109           H        THR 109  -0.289   8.284   9.114
  834    HA   THR 109           HA       THR 109  -1.864   6.438   7.632
  835    HB   THR 109           HB       THR 109  -1.120   9.322   6.927
  836    HG1  THR 109           HG1      THR 109  -1.921   9.317   8.962
  837   HG21  THR 109          HG21      THR 109  -3.379   9.398   5.942
  838   HG22  THR 109          HG22      THR 109  -2.359   8.212   5.107
  839   HG23  THR 109          HG23      THR 109  -3.608   7.694   6.274
  840    H    GLN 110           H        GLN 110   1.220   8.142   6.783
  841    HA   GLN 110           HA       GLN 110   1.312   7.016   4.166
  842    HB2  GLN 110           HB2      GLN 110   2.648   9.013   5.276
  843    HB3  GLN 110           HB3      GLN 110   3.825   7.766   5.678
  844    HG2  GLN 110           HG2      GLN 110   2.738   8.424   2.892
  845    HG3  GLN 110           HG3      GLN 110   4.286   8.970   3.527
  846   HE21  GLN 110          HE22      GLN 110   3.033   6.736   1.396
  847   HE22  GLN 110          HE21      GLN 110   4.159   5.430   1.652
  848    H    GLU 111           H        GLU 111   2.629   5.862   7.342
  849    HA   GLU 111           HA       GLU 111   4.006   3.630   6.305
  850    HB2  GLU 111           HB2      GLU 111   2.869   4.399   8.987
  851    HB3  GLU 111           HB3      GLU 111   3.218   2.700   8.748
  852    HG2  GLU 111           HG2      GLU 111   5.201   4.918   8.175
  853    HG3  GLU 111           HG3      GLU 111   5.112   4.033   9.705
  854    H    ALA 112           H        ALA 112   0.577   3.915   7.302
  855    HA   ALA 112           HA       ALA 112  -0.105   1.174   7.009
  856    HB1  ALA 112           HB1      ALA 112  -1.612   2.956   7.927
  857    HB2  ALA 112           HB2      ALA 112  -1.808   3.600   6.296
  858    HB3  ALA 112           HB3      ALA 112  -2.403   1.972   6.680
  859    H    ILE 113           H        ILE 113   0.043   3.798   4.611
  860    HA   ILE 113           HA       ILE 113  -0.970   2.259   2.406
  861    HB   ILE 113           HB       ILE 113   0.525   4.886   2.663
  862   HG12  ILE 113          HG12      ILE 113  -2.389   4.425   1.929
  863   HG13  ILE 113          HG13      ILE 113  -1.880   4.514   3.609
  864   HG21  ILE 113          HG21      ILE 113   0.977   4.090   0.423
  865   HG22  ILE 113          HG22      ILE 113  -0.742   3.702   0.159
  866   HG23  ILE 113          HG23      ILE 113  -0.209   5.389   0.343
  867   HD11  ILE 113          HD11      ILE 113  -2.601   6.661   3.105
  868   HD12  ILE 113          HD12      ILE 113  -0.841   6.763   3.114
  869   HD13  ILE 113          HD13      ILE 113  -1.719   6.696   1.555
  870    H    ALA 114           H        ALA 114   2.372   3.290   3.324
  871    HA   ALA 114           HA       ALA 114   3.708   2.018   1.189
  872    HB1  ALA 114           HB1      ALA 114   4.693   2.585   4.026
  873    HB2  ALA 114           HB2      ALA 114   5.709   2.249   2.606
  874    HB3  ALA 114           HB3      ALA 114   4.737   3.725   2.665
  875    H    ASP 115           H        ASP 115   2.968   0.861   4.502
  876    HA   ASP 115           HA       ASP 115   4.246  -1.647   4.376
  877    HB2  ASP 115           HB2      ASP 115   3.352  -0.494   6.411
  878    HB3  ASP 115           HB3      ASP 115   1.724  -0.982   5.926
  879    H    TRP 116           H        TRP 116   0.954  -0.667   3.422
  880    HA   TRP 116           HA       TRP 116   0.062  -3.304   2.657
  881    HB2  TRP 116           HB2      TRP 116  -1.578  -1.565   3.053
  882    HB3  TRP 116           HB3      TRP 116  -0.878  -0.535   1.810
  883    HD1  TRP 116           HD1      TRP 116  -1.814  -0.773  -0.572
  884    HE1  TRP 116           HE1      TRP 116  -3.285  -2.456  -1.853
  885    HE3  TRP 116           HE3      TRP 116  -2.353  -4.329   3.062
  886    HZ2  TRP 116           HZ2      TRP 116  -4.476  -5.028  -1.376
  887    HZ3  TRP 116           HZ3      TRP 116  -3.666  -6.384   2.630
  888    HH2  TRP 116           HH2      TRP 116  -4.718  -6.754   0.405
  889    H    LEU 117           H        LEU 117   1.676  -0.605   0.875
  890    HA   LEU 117           HA       LEU 117   1.455  -1.860  -1.668
  891    HB2  LEU 117           HB2      LEU 117   3.312   0.288  -0.612
  892    HB3  LEU 117           HB3      LEU 117   3.377  -0.272  -2.276
  893    HG   LEU 117           HG       LEU 117   0.802   0.796  -1.041
  894   HD11  LEU 117          HD11      LEU 117   1.308   2.934  -2.140
  895   HD12  LEU 117          HD12      LEU 117   2.525   2.542  -0.920
  896   HD13  LEU 117          HD13      LEU 117   2.899   2.317  -2.644
  897   HD21  LEU 117          HD21      LEU 117   1.669   0.440  -3.939
  898   HD22  LEU 117          HD22      LEU 117   0.466  -0.542  -3.078
  899   HD23  LEU 117          HD23      LEU 117   0.146   1.166  -3.381
  900    H    TYR 118           H        TYR 118   4.009  -2.171   0.868
  901    HA   TYR 118           HA       TYR 118   5.721  -3.777  -0.798
  902    HB2  TYR 118           HB2      TYR 118   5.407  -3.796   2.228
  903    HB3  TYR 118           HB3      TYR 118   6.678  -4.611   1.333
  904    HD1  TYR 118           HD2      TYR 118   8.110  -3.079  -0.337
  905    HD2  TYR 118           HD1      TYR 118   5.854  -1.649   3.036
  906    HE1  TYR 118           HE2      TYR 118   9.459  -1.008  -0.316
  907    HE2  TYR 118           HE1      TYR 118   7.134   0.438   3.052
  908    HH   TYR 118           HH       TYR 118   9.809   1.070   0.701
  909    H    TRP 119           H        TRP 119   3.026  -4.657   1.435
  910    HA   TRP 119           HA       TRP 119   3.245  -7.489   1.051
  911    HB2  TRP 119           HB2      TRP 119   2.112  -6.712   2.926
  912    HB3  TRP 119           HB3      TRP 119   1.125  -5.584   2.011
  913    HD1  TRP 119           HD1      TRP 119  -1.053  -6.430   0.871
  914    HE1  TRP 119           HE1      TRP 119  -2.555  -8.431   1.281
  915    HE3  TRP 119           HE3      TRP 119   2.256  -9.411   3.418
  916    HZ2  TRP 119           HZ2      TRP 119  -2.445 -10.925   2.782
  917    HZ3  TRP 119           HZ3      TRP 119   1.511 -11.577   4.354
  918    HH2  TRP 119           HH2      TRP 119  -0.838 -12.340   4.063
  919    H    LEU 120           H        LEU 120   1.429  -4.931  -0.700
  920    HA   LEU 120           HA       LEU 120  -0.023  -6.574  -2.477
  921    HB2  LEU 120           HB2      LEU 120  -0.381  -4.183  -1.933
  922    HB3  LEU 120           HB3      LEU 120   1.102  -3.756  -2.759
  923    HG   LEU 120           HG       LEU 120  -0.928  -3.194  -3.928
  924   HD11  LEU 120          HD11      LEU 120   0.597  -5.193  -5.613
  925   HD12  LEU 120          HD12      LEU 120  -0.315  -3.763  -6.134
  926   HD13  LEU 120          HD13      LEU 120   1.170  -3.554  -5.200
  927   HD21  LEU 120          HD21      LEU 120  -1.388  -6.181  -4.304
  928   HD22  LEU 120          HD22      LEU 120  -2.344  -5.071  -3.279
  929   HD23  LEU 120          HD23      LEU 120  -2.333  -4.865  -5.032
  930    H    ALA 121           H        ALA 121   3.177  -4.930  -2.848
  931    HA   ALA 121           HA       ALA 121   3.861  -6.097  -5.341
  932    HB1  ALA 121           HB1      ALA 121   6.156  -5.409  -4.768
  933    HB2  ALA 121           HB2      ALA 121   4.998  -4.123  -4.373
  934    HB3  ALA 121           HB3      ALA 121   5.676  -5.142  -3.080
  935    H    ARG 122           H        ARG 122   3.894  -7.469  -2.084
  936    HA   ARG 122           HA       ARG 122   5.715  -9.584  -2.648
  937    HB2  ARG 122           HB2      ARG 122   4.383  -8.683  -0.356
  938    HB3  ARG 122           HB3      ARG 122   3.634 -10.240  -0.660
  939    HG2  ARG 122           HG2      ARG 122   5.431 -10.862   0.674
  940    HG3  ARG 122           HG3      ARG 122   6.135 -11.079  -0.926
  941    HD2  ARG 122           HD2      ARG 122   7.782  -9.874   0.274
  942    HD3  ARG 122           HD3      ARG 122   6.971  -8.615  -0.680
  943    HE   ARG 122           HE       ARG 122   5.804  -9.048   1.973
  944   HH11  ARG 122          HH11      ARG 122   8.439  -7.204   0.355
  945   HH12  ARG 122          HH12      ARG 122   8.600  -6.168   1.769
  946   HH21  ARG 122          HH21      ARG 122   6.117  -7.701   3.631
  947   HH22  ARG 122          HH22      ARG 122   7.367  -6.422   3.558
  948    H    GLY 123           H        GLY 123   2.531  -9.098  -3.881
  949    HA2  GLY 123           HA2      GLY 123   1.157 -10.472  -5.094
  950    HA3  GLY 123           HA3      GLY 123   2.502 -11.623  -5.235
  951    H    TYR 124           H        TYR 124   0.478 -10.316  -2.559
  952    HA   TYR 124           HA       TYR 124   0.612 -12.641  -0.946
  953    HB2  TYR 124           HB2      TYR 124  -0.995 -11.550   0.435
  954    HB3  TYR 124           HB3      TYR 124   0.137 -10.346  -0.141
  955    HD1  TYR 124           HD2      TYR 124  -3.371 -11.571  -0.327
  956    HD2  TYR 124           HD1      TYR 124  -0.605  -8.523  -1.600
  957    HE1  TYR 124           HE2      TYR 124  -5.258 -10.213  -1.112
  958    HE2  TYR 124           HE1      TYR 124  -2.512  -7.119  -2.343
  959    HH   TYR 124           HH       TYR 124  -5.919  -8.255  -2.142
  960    H    LYS 125           H        LYS 125  -1.323 -13.871  -0.169
  961    HA   LYS 125           HA       LYS 125  -3.296 -14.506  -2.318
  962    HB2  LYS 125           HB2      LYS 125  -1.715 -16.532  -0.672
  963    HB3  LYS 125           HB3      LYS 125  -2.956 -16.895  -1.877
  964    HG2  LYS 125           HG2      LYS 125  -1.534 -15.784  -3.620
  965    HG3  LYS 125           HG3      LYS 125  -0.254 -15.607  -2.400
  966    HD2  LYS 125           HD2      LYS 125  -0.179 -18.062  -2.099
  967    HD3  LYS 125           HD3      LYS 125  -1.488 -18.255  -3.287
  968    HE2  LYS 125           HE2      LYS 125  -0.053 -17.182  -5.021
  969    HE3  LYS 125           HE3      LYS 125   1.256 -17.041  -3.842
  970    HZ1  LYS 125           HZ1      LYS 125   1.291 -19.470  -3.699
  971    HZ2  LYS 125           HZ2      LYS 125   0.080 -19.592  -4.791
  972    HZ3  LYS 125           HZ3      LYS 125   1.524 -18.992  -5.240
  973    H    PHE 126           H        PHE 126  -3.012 -13.381   0.737
  974    HA   PHE 126           HA       PHE 126  -4.108 -13.462   2.692
  975    HB2  PHE 126           HB2      PHE 126  -6.498 -14.062   0.918
  976    HB3  PHE 126           HB3      PHE 126  -6.602 -13.787   2.640
  977    HD1  PHE 126           HD2      PHE 126  -4.676 -11.421   2.942
  978    HD2  PHE 126           HD1      PHE 126  -7.864 -12.279   0.166
  979    HE1  PHE 126           HE2      PHE 126  -5.116  -9.001   2.695
  980    HE2  PHE 126           HE1      PHE 126  -8.309  -9.855  -0.061
  981    HZ   PHE 126           HZ       PHE 126  -6.934  -8.205   1.197
  Start of MODEL   18
    1    H1   MET   1           H1       MET   1   7.447 -11.700  -8.251
    2    H2   MET   1           H2       MET   1   7.706 -13.257  -7.833
    3    H3   MET   1           H3       MET   1   6.196 -12.754  -8.241
    4    HA   MET   1           HA       MET   1   6.097 -11.318  -6.312
    5    HB2  MET   1           HB2      MET   1   6.809 -14.212  -5.638
    6    HB3  MET   1           HB3      MET   1   6.116 -13.046  -4.508
    7    HG2  MET   1           HG2      MET   1   4.145 -12.776  -6.011
    8    HG3  MET   1           HG3      MET   1   4.803 -14.023  -7.073
    9    HE1  MET   1           HE1      MET   1   1.838 -14.014  -5.817
   10    HE2  MET   1           HE2      MET   1   2.473 -15.208  -6.973
   11    HE3  MET   1           HE3      MET   1   1.685 -15.753  -5.479
   12    H    ALA   2           H        ALA   2   7.296  -9.901  -5.184
   13    HA   ALA   2           HA       ALA   2  10.173  -9.990  -5.396
   14    HB1  ALA   2           HB1      ALA   2  10.054  -7.816  -4.278
   15    HB2  ALA   2           HB2      ALA   2   8.804  -7.904  -5.525
   16    HB3  ALA   2           HB3      ALA   2   8.365  -8.108  -3.811
   17    H    SER   3           H        SER   3  11.575  -9.577  -3.507
   18    HA   SER   3           HA       SER   3  10.716 -10.831  -0.944
   19    HB2  SER   3           HB2      SER   3  13.475 -10.950  -2.222
   20    HB3  SER   3           HB3      SER   3  12.989 -11.688  -0.686
   21    HG   SER   3           HG       SER   3  11.652 -13.091  -1.803
   22    H    VAL   4           H        VAL   4  10.153  -8.281  -1.476
   23    HA   VAL   4           HA       VAL   4  12.264  -6.380  -1.157
   24    HB   VAL   4           HB       VAL   4  10.323  -6.092  -2.591
   25   HG11  VAL   4          HG11      VAL   4   8.619  -5.993  -0.068
   26   HG12  VAL   4          HG12      VAL   4   8.079  -5.598  -1.714
   27   HG13  VAL   4          HG13      VAL   4   8.561  -7.242  -1.323
   28   HG21  VAL   4          HG21      VAL   4  10.252  -3.957  -0.439
   29   HG22  VAL   4          HG22      VAL   4  11.448  -4.067  -1.749
   30   HG23  VAL   4          HG23      VAL   4   9.738  -3.810  -2.131
   31    H    GLU   5           H        GLU   5  10.418  -8.157   1.202
   32    HA   GLU   5           HA       GLU   5  10.252  -6.168   3.249
   33    HB2  GLU   5           HB2      GLU   5   9.662  -7.923   4.698
   34    HB3  GLU   5           HB3      GLU   5   8.913  -8.284   3.157
   35    HG2  GLU   5           HG2      GLU   5  11.389  -9.600   4.355
   36    HG3  GLU   5           HG3      GLU   5   9.780 -10.290   4.265
   37    H    ARG   6           H        ARG   6  11.550  -6.007   5.205
   38    HA   ARG   6           HA       ARG   6  14.314  -5.799   4.780
   39    HB2  ARG   6           HB2      ARG   6  14.471  -5.779   7.319
   40    HB3  ARG   6           HB3      ARG   6  13.469  -4.545   6.575
   41    HG2  ARG   6           HG2      ARG   6  11.467  -5.451   7.343
   42    HG3  ARG   6           HG3      ARG   6  12.114  -7.072   7.565
   43    HD2  ARG   6           HD2      ARG   6  12.918  -4.707   9.299
   44    HD3  ARG   6           HD3      ARG   6  11.622  -5.843   9.684
   45    HE   ARG   6           HE       ARG   6  13.131  -7.642   9.864
   46   HH11  ARG   6          HH11      ARG   6  14.837  -4.518   9.702
   47   HH12  ARG   6          HH12      ARG   6  16.265  -5.130  10.450
   48   HH21  ARG   6          HH21      ARG   6  14.921  -8.409  10.845
   49   HH22  ARG   6          HH22      ARG   6  16.330  -7.431  11.121
   50    H    ASP   7           H        ASP   7  12.492  -8.478   6.211
   51    HA   ASP   7           HA       ASP   7  14.204 -10.633   5.683
   52    HB2  ASP   7           HB2      ASP   7  15.816  -9.729   7.240
   53    HB3  ASP   7           HB3      ASP   7  14.563  -9.205   8.350
   54    H    GLU   8           H        GLU   8  13.215 -12.550   6.967
   55    HA   GLU   8           HA       GLU   8  10.417 -12.488   6.864
   56    HB2  GLU   8           HB2      GLU   8  10.476 -14.698   7.822
   57    HB3  GLU   8           HB3      GLU   8  11.763 -14.517   6.631
   58    HG2  GLU   8           HG2      GLU   8  13.415 -14.195   8.463
   59    HG3  GLU   8           HG3      GLU   8  12.128 -14.358   9.660
   60    H    THR   9           H        THR   9  12.416 -11.260   9.458
   61    HA   THR   9           HA       THR   9  10.727 -11.418  11.675
   62    HB   THR   9           HB       THR   9  11.648  -8.852  11.760
   63    HG1  THR   9           HG1      THR   9  13.566 -10.231  10.189
   64   HG21  THR   9          HG21      THR   9  12.193 -10.560  13.403
   65   HG22  THR   9          HG22      THR   9  13.343 -11.308  12.264
   66   HG23  THR   9          HG23      THR   9  13.639  -9.663  12.898
   67    H    ARG  10           H        ARG  10  10.439  -9.250   8.801
   68    HA   ARG  10           HA       ARG  10   8.272  -7.745   9.955
   69    HB2  ARG  10           HB2      ARG  10   9.516  -6.865   8.032
   70    HB3  ARG  10           HB3      ARG  10   8.979  -8.209   7.022
   71    HG2  ARG  10           HG2      ARG  10   7.731  -6.147   6.532
   72    HG3  ARG  10           HG3      ARG  10   6.659  -7.414   7.118
   73    HD2  ARG  10           HD2      ARG  10   6.719  -6.365   9.394
   74    HD3  ARG  10           HD3      ARG  10   7.722  -5.060   8.732
   75    HE   ARG  10           HE       ARG  10   5.727  -4.708   7.136
   76   HH11  ARG  10          HH11      ARG  10   5.477  -5.510  10.597
   77   HH12  ARG  10          HH12      ARG  10   3.979  -4.683  10.818
   78   HH21  ARG  10          HH21      ARG  10   3.735  -3.655   7.427
   79   HH22  ARG  10          HH22      ARG  10   2.997  -3.540   9.001
   80    H    GLU  11           H        GLU  11   8.357 -10.715   7.947
   81    HA   GLU  11           HA       GLU  11   5.502 -10.898   7.702
   82    HB2  GLU  11           HB2      GLU  11   7.614 -13.071   7.428
   83    HB3  GLU  11           HB3      GLU  11   5.922 -13.176   6.916
   84    HG2  GLU  11           HG2      GLU  11   6.325 -11.155   5.434
   85    HG3  GLU  11           HG3      GLU  11   8.044 -11.282   5.811
   86    H    HIS  12           H        HIS  12   7.839 -12.122  10.135
   87    HA   HIS  12           HA       HIS  12   5.935 -13.568  11.703
   88    HB2  HIS  12           HB2      HIS  12   8.375 -13.730  12.009
   89    HB3  HIS  12           HB3      HIS  12   8.436 -12.069  12.578
   90    HD1  HIS  12           HD1      HIS  12   5.747 -12.550  14.639
   91    HD2  HIS  12           HD2      HIS  12   9.423 -14.605  14.291
   92    HE1  HIS  12           HE1      HIS  12   6.224 -13.570  16.908
   93    H    ARG  13           H        ARG  13   6.968 -10.059  11.842
   94    HA   ARG  13           HA       ARG  13   5.235  -9.443  14.028
   95    HB2  ARG  13           HB2      ARG  13   6.402  -7.679  11.849
   96    HB3  ARG  13           HB3      ARG  13   5.367  -7.088  13.155
   97    HG2  ARG  13           HG2      ARG  13   7.028  -8.274  14.783
   98    HG3  ARG  13           HG3      ARG  13   8.112  -8.382  13.396
   99    HD2  ARG  13           HD2      ARG  13   8.673  -6.412  14.647
  100    HD3  ARG  13           HD3      ARG  13   7.912  -5.892  13.124
  101    HE   ARG  13           HE       ARG  13   6.004  -6.221  15.282
  102   HH11  ARG  13          HH11      ARG  13   8.449  -3.898  14.147
  103   HH12  ARG  13          HH12      ARG  13   7.631  -2.522  14.788
  104   HH21  ARG  13          HH21      ARG  13   4.874  -4.438  16.031
  105   HH22  ARG  13          HH22      ARG  13   5.556  -2.839  15.937
  106    H    ILE  14           H        ILE  14   4.647  -9.304  10.482
  107    HA   ILE  14           HA       ILE  14   1.965  -8.370  10.567
  108    HB   ILE  14           HB       ILE  14   3.482 -10.239   8.709
  109   HG12  ILE  14          HG12      ILE  14   2.509  -7.400   8.204
  110   HG13  ILE  14          HG13      ILE  14   4.088  -7.752   8.864
  111   HG21  ILE  14          HG21      ILE  14   1.660 -10.062   7.072
  112   HG22  ILE  14          HG22      ILE  14   1.128 -10.871   8.527
  113   HG23  ILE  14          HG23      ILE  14   0.669  -9.173   8.256
  114   HD11  ILE  14          HD11      ILE  14   4.245  -7.352   6.478
  115   HD12  ILE  14          HD12      ILE  14   4.675  -9.036   6.823
  116   HD13  ILE  14          HD13      ILE  14   3.086  -8.638   6.128
  117    H    GLU  15           H        GLU  15   3.200 -11.763  10.709
  118    HA   GLU  15           HA       GLU  15   0.723 -12.978  11.016
  119    HB2  GLU  15           HB2      GLU  15   2.781 -14.170  10.489
  120    HB3  GLU  15           HB3      GLU  15   3.410 -13.879  12.116
  121    HG2  GLU  15           HG2      GLU  15   1.599 -15.192  13.104
  122    HG3  GLU  15           HG3      GLU  15   0.847 -15.405  11.519
  123    H    THR  16           H        THR  16   2.905 -11.838  13.708
  124    HA   THR  16           HA       THR  16   0.881 -12.752  15.581
  125    HB   THR  16           HB       THR  16   2.621 -11.998  17.276
  126    HG1  THR  16           HG1      THR  16   3.868 -10.581  16.087
  127   HG21  THR  16          HG21      THR  16   3.540 -13.963  15.127
  128   HG22  THR  16          HG22      THR  16   3.999 -13.942  16.846
  129   HG23  THR  16          HG23      THR  16   2.341 -14.332  16.388
  130    H    GLU  17           H        GLU  17   1.297  -9.733  14.038
  131    HA   GLU  17           HA       GLU  17  -0.233  -8.382  16.225
  132    HB2  GLU  17           HB2      GLU  17   1.800  -7.156  14.335
  133    HB3  GLU  17           HB3      GLU  17   0.902  -6.317  15.586
  134    HG2  GLU  17           HG2      GLU  17   1.982  -7.561  17.356
  135    HG3  GLU  17           HG3      GLU  17   2.785  -8.627  16.203
  136    H    ILE  18           H        ILE  18  -0.455  -9.217  12.848
  137    HA   ILE  18           HA       ILE  18  -2.659  -7.204  12.541
  138    HB   ILE  18           HB       ILE  18  -0.928  -8.368  10.335
  139   HG12  ILE  18          HG12      ILE  18  -0.728  -5.621  11.660
  140   HG13  ILE  18          HG13      ILE  18   0.459  -6.923  11.791
  141   HG21  ILE  18          HG21      ILE  18  -1.978  -6.679   8.909
  142   HG22  ILE  18          HG22      ILE  18  -3.234  -7.639   9.659
  143   HG23  ILE  18          HG23      ILE  18  -2.879  -6.025  10.295
  144   HD11  ILE  18          HD11      ILE  18   1.331  -5.433  10.180
  145   HD12  ILE  18          HD12      ILE  18   0.717  -6.840   9.279
  146   HD13  ILE  18          HD13      ILE  18  -0.207  -5.336   9.305
  147    H    ILE  19           H        ILE  19  -1.566 -10.524  11.658
  148    HA   ILE  19           HA       ILE  19  -4.420 -11.202  11.078
  149    HB   ILE  19           HB       ILE  19  -3.607 -12.672   9.377
  150   HG12  ILE  19          HG12      ILE  19  -0.862 -11.496   9.975
  151   HG13  ILE  19          HG13      ILE  19  -1.383 -13.144  10.378
  152   HG21  ILE  19          HG21      ILE  19  -2.522  -9.858   8.953
  153   HG22  ILE  19          HG22      ILE  19  -3.188 -10.961   7.742
  154   HG23  ILE  19          HG23      ILE  19  -4.255 -10.258   8.953
  155   HD11  ILE  19          HD11      ILE  19  -1.116 -11.927   7.629
  156   HD12  ILE  19          HD12      ILE  19  -0.107 -13.201   8.362
  157   HD13  ILE  19          HD13      ILE  19  -1.819 -13.526   7.980
  158    H    VAL  20           H        VAL  20  -2.703 -11.651  13.629
  159    HA   VAL  20           HA       VAL  20  -1.971 -14.208  13.959
  160    HB   VAL  20           HB       VAL  20  -1.633 -12.304  15.498
  161   HG11  VAL  20          HG11      VAL  20  -3.978 -11.537  15.760
  162   HG12  VAL  20          HG12      VAL  20  -4.343 -13.008  16.691
  163   HG13  VAL  20          HG13      VAL  20  -3.177 -11.822  17.310
  164   HG21  VAL  20          HG21      VAL  20  -1.432 -13.607  17.538
  165   HG22  VAL  20          HG22      VAL  20  -2.557 -14.832  16.910
  166   HG23  VAL  20          HG23      VAL  20  -0.973 -14.592  16.138
  167    H    ASP  21           H        ASP  21  -5.394 -13.219  14.267
  168    HA   ASP  21           HA       ASP  21  -6.123 -16.008  14.983
  169    HB2  ASP  21           HB2      ASP  21  -6.888 -14.107  16.390
  170    HB3  ASP  21           HB3      ASP  21  -7.777 -13.463  15.009
  171    H    ALA  22           H        ALA  22  -5.537 -14.444  12.239
  172    HA   ALA  22           HA       ALA  22  -8.016 -15.074  10.729
  173    HB1  ALA  22           HB1      ALA  22  -5.797 -13.043  10.225
  174    HB2  ALA  22           HB2      ALA  22  -7.152 -13.376   9.151
  175    HB3  ALA  22           HB3      ALA  22  -7.455 -12.685  10.764
  176    H    GLU  23           H        GLU  23  -7.857 -16.112   8.961
  177    HA   GLU  23           HA       GLU  23  -5.577 -17.138   7.513
  178    HB2  GLU  23           HB2      GLU  23  -5.497 -19.286   8.263
  179    HB3  GLU  23           HB3      GLU  23  -5.610 -18.362   9.757
  180    HG2  GLU  23           HG2      GLU  23  -7.913 -19.837   8.463
  181    HG3  GLU  23           HG3      GLU  23  -6.881 -20.480   9.727
  182    H    ASP  24           H        ASP  24  -9.017 -17.129   8.313
  183    HA   ASP  24           HA       ASP  24  -9.953 -18.379   5.869
  184    HB2  ASP  24           HB2      ASP  24 -11.330 -16.435   7.763
  185    HB3  ASP  24           HB3      ASP  24 -12.102 -17.465   6.572
  186    H    LYS  25           H        LYS  25 -10.406 -17.120   3.960
  187    HA   LYS  25           HA       LYS  25  -8.604 -14.997   3.580
  188    HB2  LYS  25           HB2      LYS  25  -9.576 -14.682   1.383
  189    HB3  LYS  25           HB3      LYS  25  -9.360 -16.392   1.763
  190    HG2  LYS  25           HG2      LYS  25 -11.810 -16.542   2.324
  191    HG3  LYS  25           HG3      LYS  25 -11.985 -14.832   1.916
  192    HD2  LYS  25           HD2      LYS  25 -12.749 -16.195   0.068
  193    HD3  LYS  25           HD3      LYS  25 -11.303 -15.288  -0.410
  194    HE2  LYS  25           HE2      LYS  25  -9.908 -17.308  -0.031
  195    HE3  LYS  25           HE3      LYS  25 -11.336 -18.208   0.494
  196    HZ1  LYS  25           HZ1      LYS  25 -12.251 -17.929  -1.739
  197    HZ2  LYS  25           HZ2      LYS  25 -10.932 -17.093  -2.225
  198    HZ3  LYS  25           HZ3      LYS  25 -10.800 -18.663  -1.815
  199    H    GLU  26           H        GLU  26 -11.952 -14.863   4.640
  200    HA   GLU  26           HA       GLU  26 -12.379 -12.073   4.117
  201    HB2  GLU  26           HB2      GLU  26 -13.685 -13.928   6.166
  202    HB3  GLU  26           HB3      GLU  26 -14.288 -12.344   5.664
  203    HG2  GLU  26           HG2      GLU  26 -14.532 -13.225   3.321
  204    HG3  GLU  26           HG3      GLU  26 -14.021 -14.812   3.886
  205    H    GLU  27           H        GLU  27 -11.130 -13.993   6.923
  206    HA   GLU  27           HA       GLU  27 -10.979 -11.668   8.629
  207    HB2  GLU  27           HB2      GLU  27  -9.623 -14.368   8.935
  208    HB3  GLU  27           HB3      GLU  27  -9.796 -13.086  10.157
  209    HG2  GLU  27           HG2      GLU  27 -12.330 -13.288   9.808
  210    HG3  GLU  27           HG3      GLU  27 -11.961 -14.741   8.855
  211    H    ARG  28           H        ARG  28  -8.713 -13.460   6.480
  212    HA   ARG  28           HA       ARG  28  -6.391 -11.946   7.235
  213    HB2  ARG  28           HB2      ARG  28  -7.198 -13.319   4.636
  214    HB3  ARG  28           HB3      ARG  28  -5.659 -12.472   4.811
  215    HG2  ARG  28           HG2      ARG  28  -6.480 -14.654   6.746
  216    HG3  ARG  28           HG3      ARG  28  -5.669 -15.025   5.222
  217    HD2  ARG  28           HD2      ARG  28  -3.714 -13.749   5.812
  218    HD3  ARG  28           HD3      ARG  28  -4.522 -13.015   7.190
  219    HE   ARG  28           HE       ARG  28  -4.344 -14.961   8.454
  220   HH11  ARG  28          HH11      ARG  28  -2.814 -15.487   5.292
  221   HH12  ARG  28          HH12      ARG  28  -1.920 -16.867   5.827
  222   HH21  ARG  28          HH21      ARG  28  -3.303 -16.738   9.121
  223   HH22  ARG  28          HH22      ARG  28  -2.199 -17.613   8.101
  224    H    ALA  29           H        ALA  29  -8.821 -11.293   4.653
  225    HA   ALA  29           HA       ALA  29  -7.737  -8.833   3.829
  226    HB1  ALA  29           HB1      ALA  29  -9.496 -10.087   2.615
  227    HB2  ALA  29           HB2      ALA  29 -10.650  -9.746   3.915
  228    HB3  ALA  29           HB3      ALA  29 -10.004  -8.414   2.921
  229    H    MET  30           H        MET  30 -10.227  -9.462   6.427
  230    HA   MET  30           HA       MET  30 -10.515  -6.715   7.060
  231    HB2  MET  30           HB2      MET  30 -11.307  -9.328   8.289
  232    HB3  MET  30           HB3      MET  30 -11.354  -7.895   9.305
  233    HG2  MET  30           HG2      MET  30 -13.481  -8.367   8.217
  234    HG3  MET  30           HG3      MET  30 -12.866  -6.753   7.883
  235    HE1  MET  30           HE1      MET  30 -11.248  -6.775   4.941
  236    HE2  MET  30           HE2      MET  30 -12.789  -6.462   4.136
  237    HE3  MET  30           HE3      MET  30 -12.457  -5.733   5.721
  238    H    GLY  31           H        GLY  31  -8.279  -9.172   8.491
  239    HA2  GLY  31           HA2      GLY  31  -7.369  -7.621  10.656
  240    HA3  GLY  31           HA3      GLY  31  -6.417  -8.842   9.782
  241    H    TRP  32           H        TRP  32  -6.118  -7.817   7.274
  242    HA   TRP  32           HA       TRP  32  -4.208  -5.724   7.515
  243    HB2  TRP  32           HB2      TRP  32  -5.727  -6.960   5.192
  244    HB3  TRP  32           HB3      TRP  32  -4.708  -5.544   4.959
  245    HD1  TRP  32           HD1      TRP  32  -4.445  -9.181   4.918
  246    HE1  TRP  32           HE1      TRP  32  -2.003  -9.937   4.902
  247    HE3  TRP  32           HE3      TRP  32  -2.261  -4.764   6.256
  248    HZ2  TRP  32           HZ2      TRP  32   0.601  -8.753   5.494
  249    HZ3  TRP  32           HZ3      TRP  32   0.195  -4.594   6.513
  250    HH2  TRP  32           HH2      TRP  32   1.634  -6.574   6.117
  251    H    TYR  33           H        TYR  33  -7.668  -5.644   6.487
  252    HA   TYR  33           HA       TYR  33  -7.746  -2.985   5.690
  253    HB2  TYR  33           HB2      TYR  33  -9.556  -4.563   5.246
  254    HB3  TYR  33           HB3      TYR  33  -9.896  -4.704   6.966
  255    HD1  TYR  33           HD2      TYR  33  -9.983  -2.325   4.106
  256    HD2  TYR  33           HD1      TYR  33 -11.287  -3.166   8.126
  257    HE1  TYR  33           HE2      TYR  33 -11.566  -0.438   3.987
  258    HE2  TYR  33           HE1      TYR  33 -12.833  -1.239   8.038
  259    HH   TYR  33           HH       TYR  33 -13.322   0.625   4.991
  260    H    TYR  34           H        TYR  34  -8.533  -4.247   9.016
  261    HA   TYR  34           HA       TYR  34  -9.168  -1.580   9.901
  262    HB2  TYR  34           HB2      TYR  34  -8.697  -4.160  11.434
  263    HB3  TYR  34           HB3      TYR  34  -9.230  -2.653  12.167
  264    HD1  TYR  34           HD1      TYR  34 -11.335  -1.486  10.890
  265    HD2  TYR  34           HD2      TYR  34 -10.406  -5.699  10.871
  266    HE1  TYR  34           HE1      TYR  34 -13.705  -2.001  10.404
  267    HE2  TYR  34           HE2      TYR  34 -12.778  -6.225  10.396
  268    HH   TYR  34           HH       TYR  34 -14.913  -5.366  10.016
  269    H    TYR  35           H        TYR  35  -6.166  -3.545  10.010
  270    HA   TYR  35           HA       TYR  35  -4.736  -1.699  11.732
  271    HB2  TYR  35           HB2      TYR  35  -3.908  -3.940  11.435
  272    HB3  TYR  35           HB3      TYR  35  -4.015  -3.840   9.689
  273    HD1  TYR  35           HD2      TYR  35  -1.997  -2.723  12.625
  274    HD2  TYR  35           HD1      TYR  35  -2.242  -3.069   8.336
  275    HE1  TYR  35           HE2      TYR  35   0.441  -2.323  12.457
  276    HE2  TYR  35           HE1      TYR  35   0.189  -2.637   8.149
  277    HH   TYR  35           HH       TYR  35   2.276  -2.127  11.029
  278    H    LEU  36           H        LEU  36  -5.182  -1.903   8.131
  279    HA   LEU  36           HA       LEU  36  -3.448   0.282   7.576
  280    HB2  LEU  36           HB2      LEU  36  -5.379  -1.384   6.062
  281    HB3  LEU  36           HB3      LEU  36  -5.392   0.298   5.571
  282    HG   LEU  36           HG       LEU  36  -2.993   0.313   5.182
  283   HD11  LEU  36          HD11      LEU  36  -2.119  -1.310   6.763
  284   HD12  LEU  36          HD12      LEU  36  -3.061  -2.617   6.008
  285   HD13  LEU  36          HD13      LEU  36  -1.711  -1.850   5.137
  286   HD21  LEU  36          HD21      LEU  36  -3.049  -1.094   3.178
  287   HD22  LEU  36          HD22      LEU  36  -4.310  -2.125   3.889
  288   HD23  LEU  36          HD23      LEU  36  -4.680  -0.452   3.440
  289    H    ASP  37           H        ASP  37  -7.101   0.159   7.943
  290    HA   ASP  37           HA       ASP  37  -7.445   2.967   7.733
  291    HB2  ASP  37           HB2      ASP  37  -9.451   1.567   8.030
  292    HB3  ASP  37           HB3      ASP  37  -8.891   1.020   9.601
  293    H    ASP  38           H        ASP  38  -6.558   0.950  10.665
  294    HA   ASP  38           HA       ASP  38  -6.932   3.275  12.028
  295    HB2  ASP  38           HB2      ASP  38  -7.014   1.105  13.161
  296    HB3  ASP  38           HB3      ASP  38  -5.249   1.179  13.312
  297    H    THR  39           H        THR  39  -4.208   2.339  10.250
  298    HA   THR  39           HA       THR  39  -2.273   4.065  11.658
  299    HB   THR  39           HB       THR  39  -2.112   2.611   8.983
  300    HG1  THR  39           HG1      THR  39  -2.458   1.079  10.545
  301   HG21  THR  39          HG21      THR  39  -0.448   4.450   9.542
  302   HG22  THR  39          HG22      THR  39   0.085   3.469  10.916
  303   HG23  THR  39          HG23      THR  39   0.290   2.854   9.262
  304    H    LEU  40           H        LEU  40  -4.116   4.020   8.564
  305    HA   LEU  40           HA       LEU  40  -3.345   6.554   7.585
  306    HB2  LEU  40           HB2      LEU  40  -5.960   5.053   7.247
  307    HB3  LEU  40           HB3      LEU  40  -5.419   6.385   6.233
  308    HG   LEU  40           HG       LEU  40  -3.823   3.806   6.440
  309   HD11  LEU  40          HD11      LEU  40  -4.982   3.020   4.415
  310   HD12  LEU  40          HD12      LEU  40  -6.127   3.250   5.737
  311   HD13  LEU  40          HD13      LEU  40  -6.033   4.455   4.434
  312   HD21  LEU  40          HD21      LEU  40  -2.596   5.611   5.403
  313   HD22  LEU  40          HD22      LEU  40  -3.025   4.393   4.206
  314   HD23  LEU  40          HD23      LEU  40  -3.932   5.912   4.261
  315    H    GLU  41           H        GLU  41  -4.196   8.586   7.843
  316    HA   GLU  41           HA       GLU  41  -6.575   9.019   9.583
  317    HB2  GLU  41           HB2      GLU  41  -3.957  10.563   9.441
  318    HB3  GLU  41           HB3      GLU  41  -5.407  11.170  10.247
  319    HG2  GLU  41           HG2      GLU  41  -4.029   8.558  10.983
  320    HG3  GLU  41           HG3      GLU  41  -3.716  10.097  11.764
  321    H    PHE  42           H        PHE  42  -7.079   8.497   7.092
  322    HA   PHE  42           HA       PHE  42  -7.177  10.648   5.215
  323    HB2  PHE  42           HB2      PHE  42  -8.967   9.251   4.196
  324    HB3  PHE  42           HB3      PHE  42  -7.495   8.388   4.524
  325    HD1  PHE  42           HD2      PHE  42 -10.891   9.059   6.050
  326    HD2  PHE  42           HD1      PHE  42  -7.635   6.264   5.534
  327    HE1  PHE  42           HE2      PHE  42 -12.247   7.276   7.093
  328    HE2  PHE  42           HE1      PHE  42  -9.005   4.490   6.585
  329    HZ   PHE  42           HZ       PHE  42 -11.321   4.985   7.342
  330    HA   PRO  43           HA       PRO  43  -9.420  11.184   3.595
  331    HB2  PRO  43           HB2      PRO  43 -10.091  13.756   2.943
  332    HB3  PRO  43           HB3      PRO  43 -11.293  12.525   3.409
  333    HG2  PRO  43           HG2      PRO  43 -10.040  14.631   5.185
  334    HG3  PRO  43           HG3      PRO  43 -11.779  14.225   4.995
  335    HD2  PRO  43           HD2      PRO  43 -10.312  13.203   7.033
  336    HD3  PRO  43           HD3      PRO  43 -11.529  12.196   6.195
  337    H    PHE  44           H        PHE  44  -7.874  11.926   2.019
  338    HA   PHE  44           HA       PHE  44  -5.994  14.029   2.775
  339    HB2  PHE  44           HB2      PHE  44  -3.988  12.691   2.544
  340    HB3  PHE  44           HB3      PHE  44  -4.947  12.151   3.904
  341    HD1  PHE  44           HD1      PHE  44  -4.048  11.326   0.377
  342    HD2  PHE  44           HD2      PHE  44  -5.474   9.813   4.129
  343    HE1  PHE  44           HE1      PHE  44  -3.756   9.051  -0.472
  344    HE2  PHE  44           HE2      PHE  44  -5.247   7.502   3.271
  345    HZ   PHE  44           HZ       PHE  44  -4.376   7.096   0.974
  346    H    MET  45           H        MET  45  -4.511  14.552   0.903
  347    HA   MET  45           HA       MET  45  -5.960  14.166  -1.652
  348    HB2  MET  45           HB2      MET  45  -5.117  16.426  -0.964
  349    HB3  MET  45           HB3      MET  45  -3.466  15.779  -0.925
  350    HG2  MET  45           HG2      MET  45  -3.704  15.205  -3.362
  351    HG3  MET  45           HG3      MET  45  -5.283  15.996  -3.358
  352    HE1  MET  45           HE1      MET  45  -2.799  18.208  -5.457
  353    HE2  MET  45           HE2      MET  45  -2.856  16.435  -5.265
  354    HE3  MET  45           HE3      MET  45  -4.363  17.354  -5.451
  355    H    GLY  46           H        GLY  46  -5.001  12.943  -3.445
  356    HA2  GLY  46           HA2      GLY  46  -2.289  11.932  -3.079
  357    HA3  GLY  46           HA3      GLY  46  -3.544  10.685  -3.055
  358    H    LYS  47           H        LYS  47  -1.654  10.555  -4.908
  359    HA   LYS  47           HA       LYS  47  -2.931  11.466  -7.440
  360    HB2  LYS  47           HB2      LYS  47  -0.325  11.716  -7.034
  361    HB3  LYS  47           HB3      LYS  47  -0.279   9.971  -7.202
  362    HG2  LYS  47           HG2      LYS  47   0.176  10.750  -9.374
  363    HG3  LYS  47           HG3      LYS  47  -1.524  10.312  -9.452
  364    HD2  LYS  47           HD2      LYS  47  -1.475  12.422 -10.523
  365    HD3  LYS  47           HD3      LYS  47  -2.009  12.811  -8.900
  366    HE2  LYS  47           HE2      LYS  47  -0.423  14.449  -9.297
  367    HE3  LYS  47           HE3      LYS  47   0.478  13.265  -8.346
  368    HZ1  LYS  47           HZ1      LYS  47   1.804  13.915 -10.194
  369    HZ2  LYS  47           HZ2      LYS  47   1.316  12.391 -10.560
  370    HZ3  LYS  47           HZ3      LYS  47   0.609  13.682 -11.272
  371    H    TRP  48           H        TRP  48  -4.152   9.976  -8.472
  372    HA   TRP  48           HA       TRP  48  -4.195   7.155  -7.540
  373    HB2  TRP  48           HB2      TRP  48  -6.344   8.385  -7.953
  374    HB3  TRP  48           HB3      TRP  48  -5.878   8.613  -9.628
  375    HD1  TRP  48           HD1      TRP  48  -4.844   5.212  -8.899
  376    HE1  TRP  48           HE1      TRP  48  -6.554   3.488  -9.597
  377    HE3  TRP  48           HE3      TRP  48  -8.879   8.307  -9.450
  378    HZ2  TRP  48           HZ2      TRP  48  -9.416   3.413 -10.177
  379    HZ3  TRP  48           HZ3      TRP  48 -11.107   7.368 -10.009
  380    HH2  TRP  48           HH2      TRP  48 -11.381   4.927 -10.378
  381    H    LYS  49           H        LYS  49  -2.428   6.131  -8.363
  382    HA   LYS  49           HA       LYS  49  -1.268   6.825 -10.988
  383    HB2  LYS  49           HB2      LYS  49  -0.290   5.142  -8.636
  384    HB3  LYS  49           HB3      LYS  49   0.600   5.403 -10.136
  385    HG2  LYS  49           HG2      LYS  49   0.820   7.801  -9.662
  386    HG3  LYS  49           HG3      LYS  49  -0.213   7.641  -8.237
  387    HD2  LYS  49           HD2      LYS  49   1.984   7.707  -7.414
  388    HD3  LYS  49           HD3      LYS  49   1.450   6.023  -7.272
  389    HE2  LYS  49           HE2      LYS  49   2.707   5.555  -9.441
  390    HE3  LYS  49           HE3      LYS  49   3.321   7.215  -9.356
  391    HZ1  LYS  49           HZ1      LYS  49   4.173   6.567  -7.070
  392    HZ2  LYS  49           HZ2      LYS  49   3.849   5.015  -7.457
  393    HZ3  LYS  49           HZ3      LYS  49   4.936   5.848  -8.343
  394    H    LYS  50           H        LYS  50  -3.433   5.938 -11.669
  395    HA   LYS  50           HA       LYS  50  -4.280   3.272 -11.082
  396    HB2  LYS  50           HB2      LYS  50  -5.723   5.122 -11.965
  397    HB3  LYS  50           HB3      LYS  50  -4.938   4.966 -13.538
  398    HG2  LYS  50           HG2      LYS  50  -5.801   2.721 -13.830
  399    HG3  LYS  50           HG3      LYS  50  -6.371   2.651 -12.152
  400    HD2  LYS  50           HD2      LYS  50  -8.067   4.322 -12.559
  401    HD3  LYS  50           HD3      LYS  50  -7.387   4.730 -14.125
  402    HE2  LYS  50           HE2      LYS  50  -9.447   3.430 -14.353
  403    HE3  LYS  50           HE3      LYS  50  -8.069   2.605 -15.083
  404    HZ1  LYS  50           HZ1      LYS  50  -9.226   1.943 -12.437
  405    HZ2  LYS  50           HZ2      LYS  50  -9.480   1.112 -13.812
  406    HZ3  LYS  50           HZ3      LYS  50  -7.984   1.140 -13.172
  407    H    LYS  51           H        LYS  51  -3.284   1.371 -11.617
  408    HA   LYS  51           HA       LYS  51  -1.468   1.395 -13.959
  409    HB2  LYS  51           HB2      LYS  51  -0.524  -0.619 -13.142
  410    HB3  LYS  51           HB3      LYS  51  -0.566   0.602 -11.877
  411    HG2  LYS  51           HG2      LYS  51  -2.528  -0.490 -10.862
  412    HG3  LYS  51           HG3      LYS  51  -2.458  -1.761 -12.098
  413    HD2  LYS  51           HD2      LYS  51  -0.194  -2.379 -11.359
  414    HD3  LYS  51           HD3      LYS  51  -0.177  -1.077 -10.167
  415    HE2  LYS  51           HE2      LYS  51  -2.187  -3.371 -10.159
  416    HE3  LYS  51           HE3      LYS  51  -0.653  -3.412  -9.289
  417    HZ1  LYS  51           HZ1      LYS  51  -2.825  -1.438  -8.773
  418    HZ2  LYS  51           HZ2      LYS  51  -2.446  -2.726  -7.856
  419    HZ3  LYS  51           HZ3      LYS  51  -1.398  -1.476  -7.993
  420    H    SER  52           H        SER  52  -4.644   0.102 -13.021
  421    HA   SER  52           HA       SER  52  -4.685  -1.936 -15.015
  422    HB2  SER  52           HB2      SER  52  -7.252  -1.657 -14.570
  423    HB3  SER  52           HB3      SER  52  -6.167  -2.311 -13.341
  424    HG   SER  52           HG       SER  52  -7.513  -0.814 -12.425
  425    H    ARG  53           H        ARG  53  -5.227   1.535 -15.249
  426    HA   ARG  53           HA       ARG  53  -6.921   1.603 -17.505
  427    HB2  ARG  53           HB2      ARG  53  -6.434   3.566 -16.127
  428    HB3  ARG  53           HB3      ARG  53  -4.750   3.582 -16.662
  429    HG2  ARG  53           HG2      ARG  53  -5.368   4.201 -18.892
  430    HG3  ARG  53           HG3      ARG  53  -7.073   3.833 -18.619
  431    HD2  ARG  53           HD2      ARG  53  -5.612   6.012 -17.077
  432    HD3  ARG  53           HD3      ARG  53  -6.336   6.318 -18.652
  433    HE   ARG  53           HE       ARG  53  -7.687   6.032 -16.113
  434   HH11  ARG  53          HH11      ARG  53  -8.140   5.822 -19.630
  435   HH12  ARG  53          HH12      ARG  53  -9.851   6.012 -19.564
  436   HH21  ARG  53          HH21      ARG  53  -9.990   6.230 -16.027
  437   HH22  ARG  53          HH22      ARG  53 -10.912   6.264 -17.477
  438    H    LYS  54           H        LYS  54  -3.422   0.999 -17.366
  439    HA   LYS  54           HA       LYS  54  -3.457   0.553 -20.316
  440    HB2  LYS  54           HB2      LYS  54  -1.380   2.051 -18.677
  441    HB3  LYS  54           HB3      LYS  54  -1.072   1.419 -20.305
  442    HG2  LYS  54           HG2      LYS  54  -2.913   2.747 -21.220
  443    HG3  LYS  54           HG3      LYS  54  -3.277   3.398 -19.612
  444    HD2  LYS  54           HD2      LYS  54  -1.144   4.537 -19.498
  445    HD3  LYS  54           HD3      LYS  54  -0.602   3.779 -21.014
  446    HE2  LYS  54           HE2      LYS  54  -2.351   4.901 -22.282
  447    HE3  LYS  54           HE3      LYS  54  -3.075   5.556 -20.808
  448    HZ1  LYS  54           HZ1      LYS  54  -1.671   7.140 -22.052
  449    HZ2  LYS  54           HZ2      LYS  54  -1.230   6.977 -20.494
  450    HZ3  LYS  54           HZ3      LYS  54  -0.343   6.262 -21.695
  451    H    THR  55           H        THR  55  -4.089  -1.384 -18.443
  452    HA   THR  55           HA       THR  55  -3.601  -3.498 -17.853
  453    HB   THR  55           HB       THR  55  -1.983  -3.516 -20.422
  454    HG1  THR  55           HG1      THR  55  -3.890  -2.454 -20.849
  455   HG21  THR  55          HG21      THR  55  -3.828  -5.585 -19.126
  456   HG22  THR  55          HG22      THR  55  -3.002  -5.758 -20.692
  457   HG23  THR  55          HG23      THR  55  -2.057  -5.681 -19.200
  458    H    SER  56           H        SER  56  -2.347  -2.396 -16.064
  459    HA   SER  56           HA       SER  56  -0.729  -2.483 -14.556
  460    HB2  SER  56           HB2      SER  56   0.565  -4.736 -16.123
  461    HB3  SER  56           HB3      SER  56   0.815  -4.319 -14.423
  462    HG   SER  56           HG       SER  56  -0.679  -6.044 -14.706
  463    H    THR  57           H        THR  57  -0.636  -0.513 -16.449
  464    HA   THR  57           HA       THR  57   2.211   0.187 -16.250
  465    HB   THR  57           HB       THR  57   0.663   1.057 -18.701
  466    HG1  THR  57           HG1      THR  57   0.659  -1.011 -19.062
  467   HG21  THR  57          HG21      THR  57   2.706   2.305 -18.141
  468   HG22  THR  57          HG22      THR  57   3.644   0.794 -18.116
  469   HG23  THR  57          HG23      THR  57   2.925   1.383 -19.633
  470    H    ILE  58           H        ILE  58   2.399   2.330 -15.509
  471    HA   ILE  58           HA       ILE  58   0.046   3.173 -14.040
  472    HB   ILE  58           HB       ILE  58   2.868   4.268 -14.253
  473   HG12  ILE  58          HG12      ILE  58   2.571   1.956 -13.224
  474   HG13  ILE  58          HG13      ILE  58   3.394   3.154 -12.241
  475   HG21  ILE  58          HG21      ILE  58   0.617   5.147 -12.410
  476   HG22  ILE  58          HG22      ILE  58   2.333   5.484 -12.083
  477   HG23  ILE  58          HG23      ILE  58   1.565   6.137 -13.531
  478   HD11  ILE  58          HD11      ILE  58   0.438   2.557 -11.905
  479   HD12  ILE  58          HD12      ILE  58   1.715   1.662 -11.051
  480   HD13  ILE  58          HD13      ILE  58   1.523   3.398 -10.779
  481    H    GLU  59           H        GLU  59  -1.209   4.871 -14.327
  482    HA   GLU  59           HA       GLU  59  -0.527   7.041 -16.177
  483    HB2  GLU  59           HB2      GLU  59  -2.100   5.495 -17.385
  484    HB3  GLU  59           HB3      GLU  59  -3.252   5.658 -16.052
  485    HG2  GLU  59           HG2      GLU  59  -3.765   7.123 -18.014
  486    HG3  GLU  59           HG3      GLU  59  -3.550   8.014 -16.509
  487    H    GLU  60           H        GLU  60  -1.630   9.063 -15.339
  488    HA   GLU  60           HA       GLU  60  -2.070   8.763 -12.384
  489    HB2  GLU  60           HB2      GLU  60  -0.372  10.760 -13.906
  490    HB3  GLU  60           HB3      GLU  60  -0.807  10.906 -12.199
  491    HG2  GLU  60           HG2      GLU  60   0.295   8.756 -11.704
  492    HG3  GLU  60           HG3      GLU  60   0.735   8.570 -13.404
  493    H    LYS  61           H        LYS  61  -3.618   9.891 -11.402
  494    HA   LYS  61           HA       LYS  61  -4.751  12.316 -12.705
  495    HB2  LYS  61           HB2      LYS  61  -6.369  10.020 -11.482
  496    HB3  LYS  61           HB3      LYS  61  -6.995  11.644 -11.788
  497    HG2  LYS  61           HG2      LYS  61  -6.288  11.283 -14.249
  498    HG3  LYS  61           HG3      LYS  61  -6.139   9.566 -13.835
  499    HD2  LYS  61           HD2      LYS  61  -8.614  11.306 -13.463
  500    HD3  LYS  61           HD3      LYS  61  -8.358  10.186 -14.811
  501    HE2  LYS  61           HE2      LYS  61  -8.344   8.273 -13.240
  502    HE3  LYS  61           HE3      LYS  61  -8.516   9.385 -11.872
  503    HZ1  LYS  61           HZ1      LYS  61 -10.630  10.117 -12.807
  504    HZ2  LYS  61           HZ2      LYS  61 -10.518   9.021 -14.020
  505    HZ3  LYS  61           HZ3      LYS  61 -10.660   8.502 -12.475
  506    H    THR  62           H        THR  62  -5.631  13.759 -10.991
  507    HA   THR  62           HA       THR  62  -4.250  13.258  -8.386
  508    HB   THR  62           HB       THR  62  -5.032  15.911  -9.654
  509    HG1  THR  62           HG1      THR  62  -3.445  15.022 -10.920
  510   HG21  THR  62          HG21      THR  62  -3.134  15.187  -7.372
  511   HG22  THR  62          HG22      THR  62  -3.429  16.822  -8.016
  512   HG23  THR  62          HG23      THR  62  -4.734  15.944  -7.198
  513    H    VAL  63           H        VAL  63  -5.551  12.982  -6.622
  514    HA   VAL  63           HA       VAL  63  -8.417  13.647  -6.889
  515    HB   VAL  63           HB       VAL  63  -9.085  11.462  -6.229
  516   HG11  VAL  63          HG11      VAL  63  -8.620  10.193  -8.193
  517   HG12  VAL  63          HG12      VAL  63  -8.538  11.877  -8.723
  518   HG13  VAL  63          HG13      VAL  63  -7.050  10.974  -8.456
  519   HG21  VAL  63          HG21      VAL  63  -6.151  10.612  -6.209
  520   HG22  VAL  63          HG22      VAL  63  -7.192  10.784  -4.780
  521   HG23  VAL  63          HG23      VAL  63  -7.560   9.556  -5.994
  522    H    GLU  64           H        GLU  64  -9.558  13.445  -4.819
  523    HA   GLU  64           HA       GLU  64  -7.831  13.771  -2.397
  524    HB2  GLU  64           HB2      GLU  64  -9.099  15.845  -2.946
  525    HB3  GLU  64           HB3      GLU  64 -10.602  14.930  -2.936
  526    HG2  GLU  64           HG2      GLU  64 -10.287  14.377  -0.551
  527    HG3  GLU  64           HG3      GLU  64  -8.693  15.133  -0.562
  528    H    VAL  65           H        VAL  65  -7.981  11.961  -1.112
  529    HA   VAL  65           HA       VAL  65 -10.071   9.992  -1.737
  530    HB   VAL  65           HB       VAL  65  -8.925   8.396  -0.679
  531   HG11  VAL  65          HG11      VAL  65  -7.576   9.272  -2.614
  532   HG12  VAL  65          HG12      VAL  65  -6.561  10.147  -1.448
  533   HG13  VAL  65          HG13      VAL  65  -6.631   8.377  -1.414
  534   HG21  VAL  65          HG21      VAL  65  -7.299  10.269   1.013
  535   HG22  VAL  65          HG22      VAL  65  -8.672   9.262   1.547
  536   HG23  VAL  65          HG23      VAL  65  -7.197   8.500   0.975
  537    H    LEU  66           H        LEU  66 -11.890   9.796  -0.545
  538    HA   LEU  66           HA       LEU  66 -12.259  11.688   1.682
  539    HB2  LEU  66           HB2      LEU  66 -14.215   9.705   0.457
  540    HB3  LEU  66           HB3      LEU  66 -14.574  10.931   1.655
  541    HG   LEU  66           HG       LEU  66 -15.350  11.891  -0.280
  542   HD11  LEU  66          HD11      LEU  66 -13.805  13.453   0.939
  543   HD12  LEU  66          HD12      LEU  66 -12.515  13.028  -0.206
  544   HD13  LEU  66          HD13      LEU  66 -13.987  13.828  -0.786
  545   HD21  LEU  66          HD21      LEU  66 -12.841  11.224  -1.856
  546   HD22  LEU  66          HD22      LEU  66 -14.315  10.226  -1.850
  547   HD23  LEU  66          HD23      LEU  66 -14.367  11.889  -2.445
  548    H    GLY  67           H        GLY  67 -11.619   8.244   1.225
  549    HA2  GLY  67           HA2      GLY  67 -10.563   7.708   3.606
  550    HA3  GLY  67           HA3      GLY  67 -12.300   7.462   3.927
  551    H    MET  68           H        MET  68 -10.929   5.286   4.217
  552    HA   MET  68           HA       MET  68 -10.614   3.652   1.838
  553    HB2  MET  68           HB2      MET  68 -11.060   2.907   4.752
  554    HB3  MET  68           HB3      MET  68 -10.852   1.739   3.441
  555    HG2  MET  68           HG2      MET  68  -8.639   2.736   2.893
  556    HG3  MET  68           HG3      MET  68  -8.825   3.846   4.249
  557    HE1  MET  68           HE1      MET  68  -7.971  -0.690   4.486
  558    HE2  MET  68           HE2      MET  68  -9.257  -0.002   3.467
  559    HE3  MET  68           HE3      MET  68  -7.555   0.358   3.109
  560    H    ALA  69           H        ALA  69 -12.020   2.108   1.034
  561    HA   ALA  69           HA       ALA  69 -14.873   2.720   1.045
  562    HB1  ALA  69           HB1      ALA  69 -14.982   0.711  -0.400
  563    HB2  ALA  69           HB2      ALA  69 -13.626   1.723  -0.906
  564    HB3  ALA  69           HB3      ALA  69 -13.346   0.264   0.078
  565    HA   PRO  70           HA       PRO  70 -15.899   0.261   4.617
  566    HB2  PRO  70           HB2      PRO  70 -18.082  -1.286   3.912
  567    HB3  PRO  70           HB3      PRO  70 -18.153   0.472   4.232
  568    HG2  PRO  70           HG2      PRO  70 -17.901  -0.925   1.553
  569    HG3  PRO  70           HG3      PRO  70 -19.035   0.387   2.014
  570    HD2  PRO  70           HD2      PRO  70 -16.754   0.935   0.691
  571    HD3  PRO  70           HD3      PRO  70 -17.291   2.006   2.012
  572    H    ASP  71           H        ASP  71 -15.816  -1.879   5.546
  573    HA   ASP  71           HA       ASP  71 -13.964  -3.708   4.476
  574    HB2  ASP  71           HB2      ASP  71 -14.537  -5.149   6.249
  575    HB3  ASP  71           HB3      ASP  71 -14.685  -3.518   6.896
  576    H    ASP  72           H        ASP  72 -17.441  -3.407   3.982
  577    HA   ASP  72           HA       ASP  72 -18.046  -5.954   2.931
  578    HB2  ASP  72           HB2      ASP  72 -19.736  -4.291   3.571
  579    HB3  ASP  72           HB3      ASP  72 -19.208  -3.222   2.269
  580    H    GLU  73           H        GLU  73 -16.312  -3.265   1.477
  581    HA   GLU  73           HA       GLU  73 -16.328  -4.622  -1.190
  582    HB2  GLU  73           HB2      GLU  73 -15.607  -1.775  -0.378
  583    HB3  GLU  73           HB3      GLU  73 -15.308  -2.474  -1.977
  584    HG2  GLU  73           HG2      GLU  73 -17.772  -3.007  -2.146
  585    HG3  GLU  73           HG3      GLU  73 -18.027  -2.120  -0.644
  586    H    CYS  74           H        CYS  74 -14.261  -3.528   1.519
  587    HA   CYS  74           HA       CYS  74 -11.846  -4.175   0.108
  588    HB2  CYS  74           HB2      CYS  74 -12.285  -3.519   3.037
  589    HB3  CYS  74           HB3      CYS  74 -10.712  -3.670   2.229
  590    HG   CYS  74           HG       CYS  74 -13.194  -1.575   1.717
  591    H    LEU  75           H        LEU  75 -13.751  -6.387   0.390
  592    HA   LEU  75           HA       LEU  75 -12.328  -8.445   1.972
  593    HB2  LEU  75           HB2      LEU  75 -14.992  -8.146   0.573
  594    HB3  LEU  75           HB3      LEU  75 -14.363  -9.771   0.741
  595    HG   LEU  75           HG       LEU  75 -14.482  -7.957   3.162
  596   HD11  LEU  75          HD11      LEU  75 -16.714  -9.759   2.133
  597   HD12  LEU  75          HD12      LEU  75 -16.682  -8.905   3.699
  598   HD13  LEU  75          HD13      LEU  75 -16.737  -7.981   2.193
  599   HD21  LEU  75          HD21      LEU  75 -13.157 -10.011   3.362
  600   HD22  LEU  75          HD22      LEU  75 -14.621 -10.127   4.344
  601   HD23  LEU  75          HD23      LEU  75 -14.533 -10.978   2.785
  602    H    LYS  76           H        LYS  76 -11.722  -7.001  -0.879
  603    HA   LYS  76           HA       LYS  76 -10.967  -9.504  -2.342
  604    HB2  LYS  76           HB2      LYS  76 -12.328  -7.053  -3.524
  605    HB3  LYS  76           HB3      LYS  76 -11.695  -8.434  -4.427
  606    HG2  LYS  76           HG2      LYS  76 -13.291  -9.937  -3.182
  607    HG3  LYS  76           HG3      LYS  76 -13.948  -8.514  -2.364
  608    HD2  LYS  76           HD2      LYS  76 -15.430  -9.044  -4.135
  609    HD3  LYS  76           HD3      LYS  76 -14.578  -7.557  -4.586
  610    HE2  LYS  76           HE2      LYS  76 -13.043  -8.888  -6.030
  611    HE3  LYS  76           HE3      LYS  76 -13.869 -10.373  -5.538
  612    HZ1  LYS  76           HZ1      LYS  76 -15.881  -9.525  -6.597
  613    HZ2  LYS  76           HZ2      LYS  76 -15.120  -8.149  -7.049
  614    HZ3  LYS  76           HZ3      LYS  76 -14.662  -9.581  -7.674
  615    H    ASP  77           H        ASP  77 -10.412  -6.015  -1.829
  616    HA   ASP  77           HA       ASP  77  -7.600  -6.358  -1.885
  617    HB2  ASP  77           HB2      ASP  77  -8.094  -6.032  -4.394
  618    HB3  ASP  77           HB3      ASP  77  -8.714  -4.429  -3.975
  619    H    MET  78           H        MET  78  -6.726  -3.886  -1.432
  620    HA   MET  78           HA       MET  78  -8.641  -2.654   0.487
  621    HB2  MET  78           HB2      MET  78  -5.764  -1.990  -0.259
  622    HB3  MET  78           HB3      MET  78  -6.726  -1.108   0.937
  623    HG2  MET  78           HG2      MET  78  -5.983  -4.055   1.085
  624    HG3  MET  78           HG3      MET  78  -5.195  -2.751   1.946
  625    HE1  MET  78           HE1      MET  78  -8.777  -5.188   3.242
  626    HE2  MET  78           HE2      MET  78  -8.646  -4.730   1.537
  627    HE3  MET  78           HE3      MET  78  -7.331  -5.635   2.321
  628    H    TYR  79           H        TYR  79  -9.801  -0.781   0.012
  629    HA   TYR  79           HA       TYR  79  -9.247   0.615  -2.555
  630    HB2  TYR  79           HB2      TYR  79 -11.977  -0.282  -1.570
  631    HB3  TYR  79           HB3      TYR  79 -11.666   0.665  -3.004
  632    HD1  TYR  79           HD2      TYR  79 -10.611  -0.413  -5.031
  633    HD2  TYR  79           HD1      TYR  79 -11.883  -2.657  -1.578
  634    HE1  TYR  79           HE2      TYR  79 -10.691  -2.477  -6.404
  635    HE2  TYR  79           HE1      TYR  79 -11.971  -4.716  -2.937
  636    HH   TYR  79           HH       TYR  79 -11.127  -4.784  -6.423
  637    H    VAL  80           H        VAL  80 -10.264   2.683  -2.700
  638    HA   VAL  80           HA       VAL  80 -10.985   4.022  -0.159
  639    HB   VAL  80           HB       VAL  80  -9.450   5.930  -0.968
  640   HG11  VAL  80          HG11      VAL  80  -8.194   3.407   0.180
  641   HG12  VAL  80          HG12      VAL  80  -7.460   5.028   0.188
  642   HG13  VAL  80          HG13      VAL  80  -8.951   4.752   1.073
  643   HG21  VAL  80          HG21      VAL  80  -8.864   4.970  -3.191
  644   HG22  VAL  80          HG22      VAL  80  -7.441   5.338  -2.209
  645   HG23  VAL  80          HG23      VAL  80  -7.981   3.654  -2.390
  646    H    GLU  81           H        GLU  81 -12.368   5.721  -0.438
  647    HA   GLU  81           HA       GLU  81 -13.700   5.990  -3.074
  648    HB2  GLU  81           HB2      GLU  81 -14.259   7.214  -0.330
  649    HB3  GLU  81           HB3      GLU  81 -15.177   7.562  -1.804
  650    HG2  GLU  81           HG2      GLU  81 -15.741   5.129  -1.997
  651    HG3  GLU  81           HG3      GLU  81 -14.918   4.832  -0.464
  652    H    VAL  82           H        VAL  82 -13.340   7.845  -4.345
  653    HA   VAL  82           HA       VAL  82 -11.475   9.891  -3.286
  654    HB   VAL  82           HB       VAL  82  -9.982   9.699  -5.134
  655   HG11  VAL  82          HG11      VAL  82  -8.826   7.657  -4.652
  656   HG12  VAL  82          HG12      VAL  82  -9.584   8.206  -3.149
  657   HG13  VAL  82          HG13      VAL  82 -10.306   6.876  -4.067
  658   HG21  VAL  82          HG21      VAL  82 -10.049   7.858  -6.787
  659   HG22  VAL  82          HG22      VAL  82 -11.635   7.356  -6.164
  660   HG23  VAL  82          HG23      VAL  82 -11.429   8.941  -6.949
  661    H    ALA  83           H        ALA  83 -11.535  11.885  -4.354
  662    HA   ALA  83           HA       ALA  83 -13.874  12.322  -6.161
  663    HB1  ALA  83           HB1      ALA  83 -13.787  14.670  -5.325
  664    HB2  ALA  83           HB2      ALA  83 -14.188  13.516  -4.044
  665    HB3  ALA  83           HB3      ALA  83 -12.545  14.195  -4.147
  666    H    ASP  84           H        ASP  84 -13.257  12.893  -8.172
  667    HA   ASP  84           HA       ASP  84 -10.378  12.856  -8.699
  668    HB2  ASP  84           HB2      ASP  84 -11.988  11.466  -9.948
  669    HB3  ASP  84           HB3      ASP  84 -12.748  12.924 -10.598
  670    H    ILE  85           H        ILE  85  -9.708  14.814  -7.870
  671    HA   ILE  85           HA       ILE  85 -10.822  17.344  -8.326
  672    HB   ILE  85           HB       ILE  85  -7.850  16.893  -8.057
  673   HG12  ILE  85          HG12      ILE  85  -9.731  17.041  -5.655
  674   HG13  ILE  85          HG13      ILE  85  -9.066  15.539  -6.261
  675   HG21  ILE  85          HG21      ILE  85  -8.762  19.233  -8.432
  676   HG22  ILE  85          HG22      ILE  85  -9.644  19.062  -6.895
  677   HG23  ILE  85          HG23      ILE  85  -7.873  19.051  -6.926
  678   HD11  ILE  85          HD11      ILE  85  -7.621  16.230  -4.484
  679   HD12  ILE  85          HD12      ILE  85  -6.739  16.487  -5.987
  680   HD13  ILE  85          HD13      ILE  85  -7.475  17.861  -5.123
  681    H    GLY  86           H        GLY  86  -8.396  15.485 -10.218
  682    HA2  GLY  86           HA2      GLY  86  -7.778  17.550 -12.103
  683    HA3  GLY  86           HA3      GLY  86  -7.499  15.810 -12.297
  684    H    GLY  87           H        GLY  87 -10.131  14.831 -12.146
  685    HA2  GLY  87           HA2      GLY  87 -10.913  15.256 -14.874
  686    HA3  GLY  87           HA3      GLY  87 -11.664  14.180 -13.692
  687    H    LYS  88           H        LYS  88 -12.558  15.991 -11.726
  688    HA   LYS  88           HA       LYS  88 -14.500  17.740 -13.179
  689    HB2  LYS  88           HB2      LYS  88 -15.241  15.365 -11.415
  690    HB3  LYS  88           HB3      LYS  88 -16.367  16.613 -11.949
  691    HG2  LYS  88           HG2      LYS  88 -15.992  15.964 -14.320
  692    HG3  LYS  88           HG3      LYS  88 -14.899  14.666 -13.779
  693    HD2  LYS  88           HD2      LYS  88 -16.705  13.693 -12.433
  694    HD3  LYS  88           HD3      LYS  88 -17.830  14.953 -12.990
  695    HE2  LYS  88           HE2      LYS  88 -17.505  14.093 -15.331
  696    HE3  LYS  88           HE3      LYS  88 -16.441  12.834 -14.681
  697    HZ1  LYS  88           HZ1      LYS  88 -19.328  13.155 -14.138
  698    HZ2  LYS  88           HZ2      LYS  88 -18.601  11.908 -14.891
  699    HZ3  LYS  88           HZ3      LYS  88 -18.391  12.131 -13.272
  700    H    ASP  89           H        ASP  89 -13.130  16.653 -10.064
  701    HA   ASP  89           HA       ASP  89 -13.273  17.377  -7.963
  702    HB2  ASP  89           HB2      ASP  89 -11.966  19.228  -9.000
  703    HB3  ASP  89           HB3      ASP  89 -13.463  20.143  -9.174
  704    H    ASP  90           H        ASP  90 -15.782  16.727  -9.322
  705    HA   ASP  90           HA       ASP  90 -17.759  17.955  -7.483
  706    HB2  ASP  90           HB2      ASP  90 -17.542  19.383  -9.547
  707    HB3  ASP  90           HB3      ASP  90 -18.005  17.985 -10.517
  708    H    ASP  91           H        ASP  91 -16.505  15.160  -8.208
  709    HA   ASP  91           HA       ASP  91 -18.972  13.600  -8.146
  710    HB2  ASP  91           HB2      ASP  91 -18.400  14.090 -10.614
  711    HB3  ASP  91           HB3      ASP  91 -16.938  13.132 -10.346
  712    H    VAL  92           H        VAL  92 -18.312  11.201  -7.840
  713    HA   VAL  92           HA       VAL  92 -15.724  10.986  -6.430
  714    HB   VAL  92           HB       VAL  92 -18.343  10.143  -5.176
  715   HG11  VAL  92          HG11      VAL  92 -16.403   8.884  -4.346
  716   HG12  VAL  92          HG12      VAL  92 -15.553  10.406  -4.003
  717   HG13  VAL  92          HG13      VAL  92 -17.015   9.967  -3.100
  718   HG21  VAL  92          HG21      VAL  92 -16.710  12.656  -4.598
  719   HG22  VAL  92          HG22      VAL  92 -18.383  12.595  -5.199
  720   HG23  VAL  92          HG23      VAL  92 -18.023  12.043  -3.568
  721    H    TYR  93           H        TYR  93 -14.969   8.957  -6.305
  722    HA   TYR  93           HA       TYR  93 -16.144   6.769  -7.937
  723    HB2  TYR  93           HB2      TYR  93 -13.340   7.970  -8.131
  724    HB3  TYR  93           HB3      TYR  93 -13.916   6.585  -9.034
  725    HD1  TYR  93           HD1      TYR  93 -14.136  10.278  -8.698
  726    HD2  TYR  93           HD2      TYR  93 -15.292   6.824 -11.014
  727    HE1  TYR  93           HE1      TYR  93 -14.825  11.761 -10.566
  728    HE2  TYR  93           HE2      TYR  93 -15.944   8.292 -12.892
  729    HH   TYR  93           HH       TYR  93 -16.042  10.461 -13.688
  730    H    THR  94           H        THR  94 -14.291   4.950  -7.763
  731    HA   THR  94           HA       THR  94 -13.179   4.808  -5.006
  732    HB   THR  94           HB       THR  94 -14.438   2.390  -6.333
  733    HG1  THR  94           HG1      THR  94 -16.082   3.871  -5.899
  734   HG21  THR  94          HG21      THR  94 -13.673   2.977  -3.436
  735   HG22  THR  94          HG22      THR  94 -14.381   1.466  -4.052
  736   HG23  THR  94          HG23      THR  94 -12.760   1.953  -4.569
  737    H    ALA  95           H        ALA  95 -11.149   4.039  -4.967
  738    HA   ALA  95           HA       ALA  95  -9.878   3.071  -7.486
  739    HB1  ALA  95           HB1      ALA  95  -8.773   5.066  -5.446
  740    HB2  ALA  95           HB2      ALA  95  -7.877   4.397  -6.816
  741    HB3  ALA  95           HB3      ALA  95  -9.282   5.447  -7.100
  742    H    LYS  96           H        LYS  96  -7.855   1.817  -6.937
  743    HA   LYS  96           HA       LYS  96  -8.248   0.117  -4.539
  744    HB2  LYS  96           HB2      LYS  96  -6.105   0.078  -6.727
  745    HB3  LYS  96           HB3      LYS  96  -6.179  -0.968  -5.324
  746    HG2  LYS  96           HG2      LYS  96  -6.906  -2.255  -7.127
  747    HG3  LYS  96           HG3      LYS  96  -8.278  -1.958  -6.082
  748    HD2  LYS  96           HD2      LYS  96  -8.881  -1.908  -8.462
  749    HD3  LYS  96           HD3      LYS  96  -9.231  -0.385  -7.675
  750    HE2  LYS  96           HE2      LYS  96  -8.331  -0.023  -9.910
  751    HE3  LYS  96           HE3      LYS  96  -7.243   0.654  -8.702
  752    HZ1  LYS  96           HZ1      LYS  96  -6.797  -1.956 -10.052
  753    HZ2  LYS  96           HZ2      LYS  96  -6.047  -0.527 -10.426
  754    HZ3  LYS  96           HZ3      LYS  96  -5.759  -1.188  -9.007
  755    H    LEU  97           H        LEU  97  -6.902   0.392  -2.738
  756    HA   LEU  97           HA       LEU  97  -5.345   2.824  -2.445
  757    HB2  LEU  97           HB2      LEU  97  -6.313   1.521  -0.518
  758    HB3  LEU  97           HB3      LEU  97  -5.180   0.215  -0.885
  759    HG   LEU  97           HG       LEU  97  -3.262   1.784  -0.438
  760   HD11  LEU  97          HD11      LEU  97  -3.767   3.890   0.824
  761   HD12  LEU  97          HD12      LEU  97  -4.305   3.969  -0.853
  762   HD13  LEU  97          HD13      LEU  97  -5.484   3.683   0.449
  763   HD21  LEU  97          HD21      LEU  97  -4.099   0.260   1.271
  764   HD22  LEU  97          HD22      LEU  97  -3.526   1.768   1.997
  765   HD23  LEU  97          HD23      LEU  97  -5.274   1.482   1.822
  766    H    SER  98           H        SER  98  -4.804  -0.447  -3.569
  767    HA   SER  98           HA       SER  98  -2.032  -0.649  -3.853
  768    HB2  SER  98           HB2      SER  98  -4.220  -1.742  -5.666
  769    HB3  SER  98           HB3      SER  98  -2.668  -2.473  -5.308
  770    HG   SER  98           HG       SER  98  -4.804  -3.087  -4.111
  771    H    ASP  99           H        ASP  99  -4.053   1.578  -5.414
  772    HA   ASP  99           HA       ASP  99  -2.146   2.013  -7.669
  773    HB2  ASP  99           HB2      ASP  99  -5.193   2.160  -7.615
  774    HB3  ASP  99           HB3      ASP  99  -4.232   2.956  -8.842
  775    H    ILE 100           H        ILE 100  -2.772   3.223  -4.736
  776    HA   ILE 100           HA       ILE 100  -2.932   6.074  -5.628
  777    HB   ILE 100           HB       ILE 100  -4.261   4.549  -3.432
  778   HG12  ILE 100          HG12      ILE 100  -5.213   5.437  -5.699
  779   HG13  ILE 100          HG13      ILE 100  -6.185   5.494  -4.231
  780   HG21  ILE 100          HG21      ILE 100  -3.097   6.121  -2.024
  781   HG22  ILE 100          HG22      ILE 100  -3.589   7.491  -3.042
  782   HG23  ILE 100          HG23      ILE 100  -4.799   6.566  -2.126
  783   HD11  ILE 100          HD11      ILE 100  -6.358   7.508  -5.666
  784   HD12  ILE 100          HD12      ILE 100  -5.859   7.868  -4.009
  785   HD13  ILE 100          HD13      ILE 100  -4.655   7.877  -5.317
  786    H    GLU 101           H        GLU 101  -1.634   7.517  -4.723
  787    HA   GLU 101           HA       GLU 101   0.355   6.695  -2.681
  788    HB2  GLU 101           HB2      GLU 101   1.407   6.631  -4.953
  789    HB3  GLU 101           HB3      GLU 101   0.953   8.325  -5.195
  790    HG2  GLU 101           HG2      GLU 101   2.339   8.907  -3.166
  791    HG3  GLU 101           HG3      GLU 101   2.843   7.218  -3.070
  792    H    ALA 102           H        ALA 102   0.288   8.232  -1.001
  793    HA   ALA 102           HA       ALA 102  -1.692  10.372  -1.241
  794    HB1  ALA 102           HB1      ALA 102  -1.055  10.873   1.085
  795    HB2  ALA 102           HB2      ALA 102  -1.513   9.195   0.885
  796    HB3  ALA 102           HB3      ALA 102   0.213   9.625   1.011
  797    H    ILE 103           H        ILE 103  -1.283  12.554  -0.899
  798    HA   ILE 103           HA       ILE 103   1.497  13.545  -1.378
  799    HB   ILE 103           HB       ILE 103  -1.183  14.654  -2.302
  800   HG12  ILE 103          HG12      ILE 103   1.097  13.662  -4.075
  801   HG13  ILE 103          HG13      ILE 103  -0.258  12.642  -3.625
  802   HG21  ILE 103          HG21      ILE 103   1.623  15.734  -2.819
  803   HG22  ILE 103          HG22      ILE 103   0.111  16.402  -3.473
  804   HG23  ILE 103          HG23      ILE 103   0.413  16.470  -1.746
  805   HD11  ILE 103          HD11      ILE 103  -0.441  15.195  -5.258
  806   HD12  ILE 103          HD12      ILE 103  -0.728  13.535  -5.784
  807   HD13  ILE 103          HD13      ILE 103  -1.843  14.288  -4.638
  808    H    ASP 104           H        ASP 104   2.254  14.891   0.092
  809    HA   ASP 104           HA       ASP 104   2.505  16.004   2.023
  810    HB2  ASP 104           HB2      ASP 104   1.732  17.676   0.405
  811    HB3  ASP 104           HB3      ASP 104   0.070  17.448   0.955
  812    H    VAL 105           H        VAL 105   1.406  13.635   2.690
  813    HA   VAL 105           HA       VAL 105  -0.787  14.225   4.610
  814    HB   VAL 105           HB       VAL 105  -0.990  12.500   2.725
  815   HG11  VAL 105          HG11      VAL 105  -0.288  10.196   3.275
  816   HG12  VAL 105          HG12      VAL 105   1.095  11.264   2.944
  817   HG13  VAL 105          HG13      VAL 105   0.677  10.808   4.598
  818   HG21  VAL 105          HG21      VAL 105  -2.481  11.183   3.936
  819   HG22  VAL 105          HG22      VAL 105  -1.743  11.600   5.499
  820   HG23  VAL 105          HG23      VAL 105  -2.583  12.836   4.543
  821    H    ASP 106           H        ASP 106  -0.663  12.632   6.622
  822    HA   ASP 106           HA       ASP 106   1.669  13.392   8.124
  823    HB2  ASP 106           HB2      ASP 106  -0.660  12.950   9.080
  824    HB3  ASP 106           HB3      ASP 106  -0.311  11.224   8.819
  825    H    ASP 107           H        ASP 107   2.895  11.758   9.315
  826    HA   ASP 107           HA       ASP 107   4.489  10.218   7.453
  827    HB2  ASP 107           HB2      ASP 107   5.509  11.303   9.388
  828    HB3  ASP 107           HB3      ASP 107   4.491  10.372  10.491
  829    H    ASP 108           H        ASP 108   2.040   9.381   9.995
  830    HA   ASP 108           HA       ASP 108   2.578   6.571   9.755
  831    HB2  ASP 108           HB2      ASP 108   1.311   8.082  11.617
  832    HB3  ASP 108           HB3      ASP 108  -0.100   7.512  10.720
  833    H    THR 109           H        THR 109   0.258   8.787   8.192
  834    HA   THR 109           HA       THR 109  -1.292   6.750   6.866
  835    HB   THR 109           HB       THR 109  -0.854   9.675   6.059
  836    HG1  THR 109           HG1      THR 109  -1.722   9.576   8.150
  837   HG21  THR 109          HG21      THR 109  -3.146   7.757   5.482
  838   HG22  THR 109          HG22      THR 109  -3.122   9.460   5.103
  839   HG23  THR 109          HG23      THR 109  -1.979   8.381   4.281
  840    H    GLN 110           H        GLN 110   1.602   8.694   5.904
  841    HA   GLN 110           HA       GLN 110   1.751   7.472   3.338
  842    HB2  GLN 110           HB2      GLN 110   2.743   9.655   3.974
  843    HB3  GLN 110           HB3      GLN 110   3.921   8.822   4.988
  844    HG2  GLN 110           HG2      GLN 110   4.808   9.513   2.799
  845    HG3  GLN 110           HG3      GLN 110   4.915   7.765   3.050
  846   HE21  GLN 110          HE22      GLN 110   3.597   6.355   1.749
  847   HE22  GLN 110          HE21      GLN 110   2.898   6.940   0.248
  848    H    GLU 111           H        GLU 111   3.128   6.515   6.518
  849    HA   GLU 111           HA       GLU 111   4.752   4.406   5.469
  850    HB2  GLU 111           HB2      GLU 111   3.561   4.999   8.197
  851    HB3  GLU 111           HB3      GLU 111   4.453   3.510   7.905
  852    HG2  GLU 111           HG2      GLU 111   5.613   6.258   7.325
  853    HG3  GLU 111           HG3      GLU 111   5.786   5.433   8.873
  854    H    ALA 112           H        ALA 112   1.296   4.455   6.511
  855    HA   ALA 112           HA       ALA 112   0.876   1.640   6.318
  856    HB1  ALA 112           HB1      ALA 112  -0.730   3.339   7.279
  857    HB2  ALA 112           HB2      ALA 112  -1.058   3.893   5.640
  858    HB3  ALA 112           HB3      ALA 112  -1.486   2.235   6.110
  859    H    ILE 113           H        ILE 113   0.789   4.265   3.912
  860    HA   ILE 113           HA       ILE 113  -0.170   2.664   1.731
  861    HB   ILE 113           HB       ILE 113   1.215   5.345   1.972
  862   HG12  ILE 113          HG12      ILE 113  -1.651   4.762   1.142
  863   HG13  ILE 113          HG13      ILE 113  -1.204   4.865   2.840
  864   HG21  ILE 113          HG21      ILE 113   1.779   4.539  -0.247
  865   HG22  ILE 113          HG22      ILE 113   0.088   4.083  -0.560
  866   HG23  ILE 113          HG23      ILE 113   0.545   5.790  -0.392
  867   HD11  ILE 113          HD11      ILE 113  -2.010   6.997   2.231
  868   HD12  ILE 113          HD12      ILE 113  -0.262   7.152   2.441
  869   HD13  ILE 113          HD13      ILE 113  -0.950   7.064   0.799
  870    H    ALA 114           H        ALA 114   3.151   3.785   2.644
  871    HA   ALA 114           HA       ALA 114   4.527   2.468   0.557
  872    HB1  ALA 114           HB1      ALA 114   6.504   2.688   2.022
  873    HB2  ALA 114           HB2      ALA 114   5.555   4.188   2.000
  874    HB3  ALA 114           HB3      ALA 114   5.456   3.091   3.398
  875    H    ASP 115           H        ASP 115   3.595   1.342   3.832
  876    HA   ASP 115           HA       ASP 115   4.750  -1.246   3.727
  877    HB2  ASP 115           HB2      ASP 115   3.975  -0.371   5.812
  878    HB3  ASP 115           HB3      ASP 115   2.335  -0.163   5.189
  879    H    TRP 116           H        TRP 116   1.473  -0.110   2.670
  880    HA   TRP 116           HA       TRP 116   0.603  -2.725   1.930
  881    HB2  TRP 116           HB2      TRP 116  -0.898  -0.777   2.349
  882    HB3  TRP 116           HB3      TRP 116  -0.314  -0.024   0.864
  883    HD1  TRP 116           HD1      TRP 116  -1.651  -0.600  -1.246
  884    HE1  TRP 116           HE1      TRP 116  -3.245  -2.459  -2.031
  885    HE3  TRP 116           HE3      TRP 116  -1.582  -3.516   2.961
  886    HZ2  TRP 116           HZ2      TRP 116  -4.221  -4.979  -0.991
  887    HZ3  TRP 116           HZ3      TRP 116  -2.839  -5.646   3.031
  888    HH2  TRP 116           HH2      TRP 116  -4.150  -6.399   1.053
  889    H    LEU 117           H        LEU 117   2.512  -0.205   0.237
  890    HA   LEU 117           HA       LEU 117   2.127  -1.401  -2.360
  891    HB2  LEU 117           HB2      LEU 117   4.032   0.693  -1.277
  892    HB3  LEU 117           HB3      LEU 117   4.095   0.154  -2.951
  893    HG   LEU 117           HG       LEU 117   1.527   1.238  -1.715
  894   HD11  LEU 117          HD11      LEU 117   2.071   3.395  -2.757
  895   HD12  LEU 117          HD12      LEU 117   3.269   2.950  -1.533
  896   HD13  LEU 117          HD13      LEU 117   3.660   2.767  -3.259
  897   HD21  LEU 117          HD21      LEU 117   1.179  -0.048  -3.776
  898   HD22  LEU 117          HD22      LEU 117   0.903   1.669  -4.062
  899   HD23  LEU 117          HD23      LEU 117   2.418   0.917  -4.610
  900    H    TYR 118           H        TYR 118   4.820  -1.660   0.091
  901    HA   TYR 118           HA       TYR 118   6.223  -3.433  -1.747
  902    HB2  TYR 118           HB2      TYR 118   7.849  -3.774  -0.168
  903    HB3  TYR 118           HB3      TYR 118   7.425  -2.093  -0.096
  904    HD1  TYR 118           HD2      TYR 118   6.910  -5.392   1.662
  905    HD2  TYR 118           HD1      TYR 118   7.054  -1.091   1.995
  906    HE1  TYR 118           HE2      TYR 118   6.924  -5.583   4.132
  907    HE2  TYR 118           HE1      TYR 118   7.068  -1.271   4.448
  908    HH   TYR 118           HH       TYR 118   7.111  -2.705   6.278
  909    H    TRP 119           H        TRP 119   3.786  -3.915   0.822
  910    HA   TRP 119           HA       TRP 119   3.889  -6.780   0.804
  911    HB2  TRP 119           HB2      TRP 119   2.805  -5.583   2.570
  912    HB3  TRP 119           HB3      TRP 119   1.759  -4.729   1.442
  913    HD1  TRP 119           HD1      TRP 119  -0.387  -5.820   0.640
  914    HE1  TRP 119           HE1      TRP 119  -1.745  -7.842   1.404
  915    HE3  TRP 119           HE3      TRP 119   3.286  -8.305   3.187
  916    HZ2  TRP 119           HZ2      TRP 119  -1.208 -10.401   2.714
  917    HZ3  TRP 119           HZ3      TRP 119   2.887 -10.599   4.041
  918    HH2  TRP 119           HH2      TRP 119   0.648 -11.656   3.810
  919    H    LEU 120           H        LEU 120   2.205  -4.390  -1.299
  920    HA   LEU 120           HA       LEU 120   0.686  -6.096  -2.818
  921    HB2  LEU 120           HB2      LEU 120   1.180  -3.452  -2.919
  922    HB3  LEU 120           HB3      LEU 120   2.316  -3.902  -4.166
  923    HG   LEU 120           HG       LEU 120   0.354  -3.139  -5.181
  924   HD11  LEU 120          HD11      LEU 120  -0.377  -4.988  -6.576
  925   HD12  LEU 120          HD12      LEU 120   1.376  -5.020  -6.335
  926   HD13  LEU 120          HD13      LEU 120   0.343  -6.161  -5.460
  927   HD21  LEU 120          HD21      LEU 120  -1.873  -4.354  -4.754
  928   HD22  LEU 120          HD22      LEU 120  -1.127  -4.939  -3.263
  929   HD23  LEU 120          HD23      LEU 120  -1.282  -3.204  -3.544
  930    H    ALA 121           H        ALA 121   4.123  -5.154  -3.303
  931    HA   ALA 121           HA       ALA 121   4.608  -6.894  -5.524
  932    HB1  ALA 121           HB1      ALA 121   5.908  -4.836  -5.056
  933    HB2  ALA 121           HB2      ALA 121   6.572  -5.591  -3.587
  934    HB3  ALA 121           HB3      ALA 121   6.955  -6.260  -5.187
  935    H    ARG 122           H        ARG 122   4.751  -7.439  -2.032
  936    HA   ARG 122           HA       ARG 122   6.528  -9.629  -1.961
  937    HB2  ARG 122           HB2      ARG 122   5.642  -8.296  -0.009
  938    HB3  ARG 122           HB3      ARG 122   4.086  -9.089  -0.212
  939    HG2  ARG 122           HG2      ARG 122   5.159 -10.014   1.657
  940    HG3  ARG 122           HG3      ARG 122   5.076 -11.264   0.430
  941    HD2  ARG 122           HD2      ARG 122   7.562  -9.544   0.802
  942    HD3  ARG 122           HD3      ARG 122   7.265 -10.930   1.841
  943    HE   ARG 122           HE       ARG 122   8.034 -10.952  -0.980
  944   HH11  ARG 122          HH11      ARG 122   6.964 -12.982   1.790
  945   HH12  ARG 122          HH12      ARG 122   7.321 -14.449   0.948
  946   HH21  ARG 122          HH21      ARG 122   8.533 -12.810  -1.971
  947   HH22  ARG 122          HH22      ARG 122   8.299 -14.372  -1.232
  948    H    GLY 123           H        GLY 123   3.198  -9.521  -3.098
  949    HA2  GLY 123           HA2      GLY 123   2.387 -11.197  -4.587
  950    HA3  GLY 123           HA3      GLY 123   3.426 -12.407  -3.820
  951    H    TYR 124           H        TYR 124   1.280 -10.051  -2.224
  952    HA   TYR 124           HA       TYR 124   0.116 -11.877  -0.441
  953    HB2  TYR 124           HB2      TYR 124  -1.221 -10.128   0.248
  954    HB3  TYR 124           HB3      TYR 124   0.271  -9.359  -0.284
  955    HD1  TYR 124           HD1      TYR 124   0.116  -8.667  -2.996
  956    HD2  TYR 124           HD2      TYR 124  -3.161  -8.948  -0.195
  957    HE1  TYR 124           HE1      TYR 124  -1.236  -7.201  -4.421
  958    HE2  TYR 124           HE2      TYR 124  -4.485  -7.405  -1.583
  959    HH   TYR 124           HH       TYR 124  -4.466  -5.967  -3.456
  960    H    LYS 125           H        LYS 125  -2.185 -12.438  -0.241
  961    HA   LYS 125           HA       LYS 125  -3.465 -13.136  -2.845
  962    HB2  LYS 125           HB2      LYS 125  -2.895 -15.069  -0.550
  963    HB3  LYS 125           HB3      LYS 125  -3.645 -15.458  -2.106
  964    HG2  LYS 125           HG2      LYS 125  -1.539 -14.785  -3.266
  965    HG3  LYS 125           HG3      LYS 125  -0.797 -14.496  -1.679
  966    HD2  LYS 125           HD2      LYS 125  -1.045 -16.856  -1.072
  967    HD3  LYS 125           HD3      LYS 125  -1.856 -17.183  -2.610
  968    HE2  LYS 125           HE2      LYS 125   0.483 -17.873  -2.734
  969    HE3  LYS 125           HE3      LYS 125   0.158 -16.560  -3.867
  970    HZ1  LYS 125           HZ1      LYS 125   2.246 -16.277  -2.643
  971    HZ2  LYS 125           HZ2      LYS 125   1.240 -15.024  -2.347
  972    HZ3  LYS 125           HZ3      LYS 125   1.455 -16.208  -1.223
  973    H    PHE 126           H        PHE 126  -4.064 -11.368  -0.269
  974    HA   PHE 126           HA       PHE 126  -6.815 -12.418   0.208
  975    HB2  PHE 126           HB2      PHE 126  -5.035 -11.176   2.327
  976    HB3  PHE 126           HB3      PHE 126  -6.627 -11.887   2.530
  977    HD1  PHE 126           HD2      PHE 126  -6.858 -14.446   1.921
  978    HD2  PHE 126           HD1      PHE 126  -3.094 -12.478   2.667
  979    HE1  PHE 126           HE2      PHE 126  -5.799 -16.641   2.388
  980    HE2  PHE 126           HE1      PHE 126  -2.027 -14.668   3.095
  981    HZ   PHE 126           HZ       PHE 126  -3.380 -16.766   2.958
  Start of MODEL   19
    1    H1   MET   1           H1       MET   1   7.468 -14.156  -2.701
    2    H2   MET   1           H2       MET   1   8.886 -13.728  -3.380
    3    H3   MET   1           H3       MET   1   8.360 -15.286  -3.485
    4    HA   MET   1           HA       MET   1   8.500 -15.519  -1.095
    5    HB2  MET   1           HB2      MET   1  10.876 -15.770  -0.895
    6    HB3  MET   1           HB3      MET   1  10.380 -16.286  -2.499
    7    HG2  MET   1           HG2      MET   1  11.123 -13.994  -3.351
    8    HG3  MET   1           HG3      MET   1  11.809 -13.703  -1.756
    9    HE1  MET   1           HE1      MET   1  13.065 -16.665  -1.026
   10    HE2  MET   1           HE2      MET   1  14.715 -16.377  -1.610
   11    HE3  MET   1           HE3      MET   1  13.852 -15.096  -0.736
   12    H    ALA   2           H        ALA   2   9.248 -14.630   0.975
   13    HA   ALA   2           HA       ALA   2   8.675 -11.779   1.171
   14    HB1  ALA   2           HB1      ALA   2   7.737 -13.307   2.827
   15    HB2  ALA   2           HB2      ALA   2   9.375 -13.808   3.325
   16    HB3  ALA   2           HB3      ALA   2   8.835 -12.131   3.575
   17    H    SER   3           H        SER   3  10.436 -11.167  -0.199
   18    HA   SER   3           HA       SER   3  12.745 -10.367   1.469
   19    HB2  SER   3           HB2      SER   3  12.976 -11.269  -1.436
   20    HB3  SER   3           HB3      SER   3  14.297 -10.731  -0.385
   21    HG   SER   3           HG       SER   3  13.873 -12.557   0.942
   22    H    VAL   4           H        VAL   4  10.149  -9.089   0.765
   23    HA   VAL   4           HA       VAL   4  11.015  -6.927  -1.083
   24    HB   VAL   4           HB       VAL   4   8.698  -6.654  -1.497
   25   HG11  VAL   4          HG11      VAL   4   9.919  -8.345  -2.841
   26   HG12  VAL   4          HG12      VAL   4   9.280  -9.618  -1.777
   27   HG13  VAL   4          HG13      VAL   4   8.176  -8.639  -2.759
   28   HG21  VAL   4          HG21      VAL   4   8.081  -8.907   0.436
   29   HG22  VAL   4          HG22      VAL   4   7.597  -7.202   0.608
   30   HG23  VAL   4          HG23      VAL   4   6.938  -8.180  -0.695
   31    H    GLU   5           H        GLU   5   9.767  -7.759   2.090
   32    HA   GLU   5           HA       GLU   5   9.259  -5.023   2.942
   33    HB2  GLU   5           HB2      GLU   5   8.952  -6.119   5.180
   34    HB3  GLU   5           HB3      GLU   5   7.840  -6.639   3.930
   35    HG2  GLU   5           HG2      GLU   5  10.308  -8.268   4.642
   36    HG3  GLU   5           HG3      GLU   5   8.791  -8.414   5.521
   37    H    ARG   6           H        ARG   6  10.397  -4.073   4.739
   38    HA   ARG   6           HA       ARG   6  13.086  -3.708   4.171
   39    HB2  ARG   6           HB2      ARG   6  13.167  -2.365   6.217
   40    HB3  ARG   6           HB3      ARG   6  11.712  -2.070   5.279
   41    HG2  ARG   6           HG2      ARG   6  10.589  -3.820   6.953
   42    HG3  ARG   6           HG3      ARG   6  12.018  -3.506   7.939
   43    HD2  ARG   6           HD2      ARG   6  10.237  -2.057   8.666
   44    HD3  ARG   6           HD3      ARG   6  11.476  -1.069   7.875
   45    HE   ARG   6           HE       ARG   6   9.272  -1.978   6.132
   46   HH11  ARG   6          HH11      ARG   6  10.346   0.661   8.272
   47   HH12  ARG   6          HH12      ARG   6   9.088   1.724   7.697
   48   HH21  ARG   6          HH21      ARG   6   7.907  -0.423   5.208
   49   HH22  ARG   6          HH22      ARG   6   7.968   1.249   5.765
   50    H    ASP   7           H        ASP   7  11.705  -5.848   6.697
   51    HA   ASP   7           HA       ASP   7  13.895  -7.642   6.633
   52    HB2  ASP   7           HB2      ASP   7  14.950  -5.819   8.035
   53    HB3  ASP   7           HB3      ASP   7  13.615  -5.956   9.167
   54    H    GLU   8           H        GLU   8  13.421  -9.286   8.568
   55    HA   GLU   8           HA       GLU   8  10.695 -10.108   8.431
   56    HB2  GLU   8           HB2      GLU   8  11.331 -11.891   9.906
   57    HB3  GLU   8           HB3      GLU   8  12.607 -11.638   8.719
   58    HG2  GLU   8           HG2      GLU   8  13.931 -10.382  10.425
   59    HG3  GLU   8           HG3      GLU   8  12.651 -10.641  11.608
   60    H    THR   9           H        THR   9  11.831  -7.474  10.164
   61    HA   THR   9           HA       THR   9  10.472  -7.548  12.649
   62    HB   THR   9           HB       THR   9  10.402  -5.017  12.051
   63    HG1  THR   9           HG1      THR   9  11.640  -4.407  10.306
   64   HG21  THR   9          HG21      THR   9  13.109  -6.423  11.999
   65   HG22  THR   9          HG22      THR   9  12.826  -4.711  12.386
   66   HG23  THR   9          HG23      THR   9  12.200  -5.975  13.461
   67    H    ARG  10           H        ARG  10   9.484  -6.529   9.333
   68    HA   ARG  10           HA       ARG  10   6.811  -5.919  10.198
   69    HB2  ARG  10           HB2      ARG  10   8.051  -6.286   7.444
   70    HB3  ARG  10           HB3      ARG  10   6.330  -5.945   7.647
   71    HG2  ARG  10           HG2      ARG  10   8.523  -4.181   8.817
   72    HG3  ARG  10           HG3      ARG  10   7.785  -3.904   7.238
   73    HD2  ARG  10           HD2      ARG  10   5.622  -3.483   8.187
   74    HD3  ARG  10           HD3      ARG  10   6.089  -4.086   9.760
   75    HE   ARG  10           HE       ARG  10   7.368  -2.203  10.228
   76   HH11  ARG  10          HH11      ARG  10   5.656  -1.829   7.119
   77   HH12  ARG  10          HH12      ARG  10   5.782  -0.097   7.141
   78   HH21  ARG  10          HH21      ARG  10   7.524   0.059  10.225
   79   HH22  ARG  10          HH22      ARG  10   7.041   0.989   8.852
   80    H    GLU  11           H        GLU  11   8.233  -8.927   8.877
   81    HA   GLU  11           HA       GLU  11   5.758 -10.324   8.613
   82    HB2  GLU  11           HB2      GLU  11   8.600 -11.193   9.248
   83    HB3  GLU  11           HB3      GLU  11   7.285 -12.358   9.265
   84    HG2  GLU  11           HG2      GLU  11   7.789 -10.573   6.864
   85    HG3  GLU  11           HG3      GLU  11   8.655 -12.088   7.107
   86    H    HIS  12           H        HIS  12   7.928  -9.886  11.450
   87    HA   HIS  12           HA       HIS  12   6.332 -11.386  13.256
   88    HB2  HIS  12           HB2      HIS  12   8.688 -10.705  13.648
   89    HB3  HIS  12           HB3      HIS  12   8.174  -9.034  13.858
   90    HD1  HIS  12           HD1      HIS  12   6.883  -8.468  16.203
   91    HD2  HIS  12           HD2      HIS  12   8.188 -12.435  15.647
   92    HE1  HIS  12           HE1      HIS  12   6.703  -9.603  18.469
   93    H    ARG  13           H        ARG  13   6.283  -7.818  12.546
   94    HA   ARG  13           HA       ARG  13   4.201  -7.236  14.432
   95    HB2  ARG  13           HB2      ARG  13   4.935  -5.822  11.828
   96    HB3  ARG  13           HB3      ARG  13   3.834  -5.178  13.035
   97    HG2  ARG  13           HG2      ARG  13   6.792  -5.745  13.489
   98    HG3  ARG  13           HG3      ARG  13   6.093  -4.176  13.148
   99    HD2  ARG  13           HD2      ARG  13   5.544  -5.886  15.614
  100    HD3  ARG  13           HD3      ARG  13   6.630  -4.505  15.548
  101    HE   ARG  13           HE       ARG  13   3.752  -4.474  15.839
  102   HH11  ARG  13          HH21      ARG  13   6.441  -2.455  14.630
  103   HH12  ARG  13          HH22      ARG  13   5.563  -0.986  14.843
  104   HH21  ARG  13          HH11      ARG  13   2.695  -2.680  16.137
  105   HH22  ARG  13          HH12      ARG  13   3.307  -1.090  15.707
  106    H    ILE  14           H        ILE  14   4.033  -8.142  10.957
  107    HA   ILE  14           HA       ILE  14   1.238  -7.876  10.656
  108    HB   ILE  14           HB       ILE  14   3.341  -9.597   9.311
  109   HG12  ILE  14          HG12      ILE  14   1.683  -7.351   8.099
  110   HG13  ILE  14          HG13      ILE  14   3.154  -7.008   8.999
  111   HG21  ILE  14          HG21      ILE  14   1.297 -10.878   9.081
  112   HG22  ILE  14          HG22      ILE  14   0.397  -9.437   8.540
  113   HG23  ILE  14          HG23      ILE  14   1.680 -10.145   7.536
  114   HD11  ILE  14          HD11      ILE  14   2.933  -8.633   6.438
  115   HD12  ILE  14          HD12      ILE  14   3.700  -7.057   6.664
  116   HD13  ILE  14          HD13      ILE  14   4.420  -8.501   7.400
  117    H    GLU  15           H        GLU  15   3.183 -10.781  11.526
  118    HA   GLU  15           HA       GLU  15   1.005 -12.495  11.911
  119    HB2  GLU  15           HB2      GLU  15   3.340 -13.214  11.633
  120    HB3  GLU  15           HB3      GLU  15   3.782 -12.466  13.166
  121    HG2  GLU  15           HG2      GLU  15   3.577 -14.862  13.440
  122    HG3  GLU  15           HG3      GLU  15   2.375 -14.010  14.402
  123    H    THR  16           H        THR  16   2.626 -10.350  14.324
  124    HA   THR  16           HA       THR  16   0.991 -11.515  16.439
  125    HB   THR  16           HB       THR  16   2.326  -9.993  17.907
  126    HG1  THR  16           HG1      THR  16   3.837  -9.501  15.556
  127   HG21  THR  16          HG21      THR  16   3.961 -11.780  16.049
  128   HG22  THR  16          HG22      THR  16   4.396 -11.262  17.694
  129   HG23  THR  16          HG23      THR  16   3.008 -12.327  17.444
  130    H    GLU  17           H        GLU  17   0.703  -8.600  14.499
  131    HA   GLU  17           HA       GLU  17  -1.435  -7.646  16.362
  132    HB2  GLU  17           HB2      GLU  17   0.696  -5.983  14.966
  133    HB3  GLU  17           HB3      GLU  17  -0.655  -5.353  15.909
  134    HG2  GLU  17           HG2      GLU  17   0.198  -6.693  17.889
  135    HG3  GLU  17           HG3      GLU  17   1.669  -6.999  16.955
  136    H    ILE  18           H        ILE  18  -0.885  -8.567  13.102
  137    HA   ILE  18           HA       ILE  18  -3.167  -6.825  12.236
  138    HB   ILE  18           HB       ILE  18  -0.992  -8.008  10.485
  139   HG12  ILE  18          HG12      ILE  18  -1.316  -5.251  11.737
  140   HG13  ILE  18          HG13      ILE  18   0.035  -6.352  11.943
  141   HG21  ILE  18          HG21      ILE  18  -3.213  -7.571   9.378
  142   HG22  ILE  18          HG22      ILE  18  -3.058  -5.876   9.851
  143   HG23  ILE  18          HG23      ILE  18  -1.894  -6.612   8.727
  144   HD11  ILE  18          HD11      ILE  18   0.598  -6.033   9.509
  145   HD12  ILE  18          HD12      ILE  18  -0.635  -4.760   9.448
  146   HD13  ILE  18          HD13      ILE  18   0.763  -4.591  10.522
  147    H    ILE  19           H        ILE  19  -1.754 -10.147  11.900
  148    HA   ILE  19           HA       ILE  19  -4.504 -11.111  11.253
  149    HB   ILE  19           HB       ILE  19  -3.414 -12.685   9.739
  150   HG12  ILE  19          HG12      ILE  19  -0.944 -10.934  10.010
  151   HG13  ILE  19          HG13      ILE  19  -1.123 -12.472  10.878
  152   HG21  ILE  19          HG21      ILE  19  -3.206 -11.094   7.917
  153   HG22  ILE  19          HG22      ILE  19  -4.466 -10.512   9.004
  154   HG23  ILE  19          HG23      ILE  19  -2.848  -9.777   9.031
  155   HD11  ILE  19          HD11      ILE  19  -1.504 -13.602   8.739
  156   HD12  ILE  19          HD12      ILE  19  -1.184 -12.072   7.875
  157   HD13  ILE  19          HD13      ILE  19   0.100 -12.845   8.869
  158    H    VAL  20           H        VAL  20  -2.833 -11.130  13.878
  159    HA   VAL  20           HA       VAL  20  -1.963 -13.606  14.540
  160    HB   VAL  20           HB       VAL  20  -1.807 -11.520  15.860
  161   HG11  VAL  20          HG11      VAL  20  -3.487 -10.890  17.489
  162   HG12  VAL  20          HG12      VAL  20  -4.192 -10.831  15.869
  163   HG13  VAL  20          HG13      VAL  20  -4.565 -12.192  16.952
  164   HG21  VAL  20          HG21      VAL  20  -1.716 -12.562  18.055
  165   HG22  VAL  20          HG22      VAL  20  -2.742 -13.903  17.499
  166   HG23  VAL  20          HG23      VAL  20  -1.113 -13.680  16.820
  167    H    ASP  21           H        ASP  21  -5.433 -12.719  14.545
  168    HA   ASP  21           HA       ASP  21  -6.132 -15.446  15.500
  169    HB2  ASP  21           HB2      ASP  21  -6.992 -13.469  16.717
  170    HB3  ASP  21           HB3      ASP  21  -7.804 -12.924  15.250
  171    H    ALA  22           H        ALA  22  -5.450 -14.132  12.653
  172    HA   ALA  22           HA       ALA  22  -7.900 -14.827  11.162
  173    HB1  ALA  22           HB1      ALA  22  -5.576 -13.021  10.417
  174    HB2  ALA  22           HB2      ALA  22  -6.986 -13.365   9.424
  175    HB3  ALA  22           HB3      ALA  22  -7.186 -12.487  10.950
  176    H    GLU  23           H        GLU  23  -7.817 -16.318   9.700
  177    HA   GLU  23           HA       GLU  23  -5.381 -17.171   8.305
  178    HB2  GLU  23           HB2      GLU  23  -7.114 -19.405   9.344
  179    HB3  GLU  23           HB3      GLU  23  -5.547 -19.485   8.572
  180    HG2  GLU  23           HG2      GLU  23  -4.969 -20.079  10.682
  181    HG3  GLU  23           HG3      GLU  23  -4.686 -18.350  10.815
  182    H    ASP  24           H        ASP  24  -8.936 -17.094   8.740
  183    HA   ASP  24           HA       ASP  24  -9.549 -18.524   6.318
  184    HB2  ASP  24           HB2      ASP  24 -11.217 -16.830   8.229
  185    HB3  ASP  24           HB3      ASP  24 -11.824 -17.903   6.979
  186    H    LYS  25           H        LYS  25 -10.167 -17.402   4.380
  187    HA   LYS  25           HA       LYS  25  -8.539 -15.224   3.870
  188    HB2  LYS  25           HB2      LYS  25  -9.359 -15.092   1.691
  189    HB3  LYS  25           HB3      LYS  25  -9.407 -16.784   2.123
  190    HG2  LYS  25           HG2      LYS  25 -11.814 -14.894   2.078
  191    HG3  LYS  25           HG3      LYS  25 -11.338 -15.930   0.754
  192    HD2  LYS  25           HD2      LYS  25 -12.228 -16.961   3.482
  193    HD3  LYS  25           HD3      LYS  25 -13.247 -16.802   2.052
  194    HE2  LYS  25           HE2      LYS  25 -11.735 -18.329   0.789
  195    HE3  LYS  25           HE3      LYS  25 -10.759 -18.564   2.240
  196    HZ1  LYS  25           HZ1      LYS  25 -12.362 -20.341   1.954
  197    HZ2  LYS  25           HZ2      LYS  25 -12.732 -19.525   3.314
  198    HZ3  LYS  25           HZ3      LYS  25 -13.616 -19.307   1.955
  199    H    GLU  26           H        GLU  26 -11.877 -15.027   4.912
  200    HA   GLU  26           HA       GLU  26 -12.250 -12.240   4.277
  201    HB2  GLU  26           HB2      GLU  26 -13.601 -14.060   6.328
  202    HB3  GLU  26           HB3      GLU  26 -14.147 -12.435   5.899
  203    HG2  GLU  26           HG2      GLU  26 -14.450 -13.184   3.528
  204    HG3  GLU  26           HG3      GLU  26 -13.979 -14.817   3.996
  205    H    GLU  27           H        GLU  27 -11.049 -14.067   7.149
  206    HA   GLU  27           HA       GLU  27 -10.934 -11.774   8.893
  207    HB2  GLU  27           HB2      GLU  27  -9.323 -14.341   8.969
  208    HB3  GLU  27           HB3      GLU  27  -9.570 -13.214  10.306
  209    HG2  GLU  27           HG2      GLU  27 -11.929 -13.785  10.427
  210    HG3  GLU  27           HG3      GLU  27 -11.785 -14.849   9.016
  211    H    ARG  28           H        ARG  28  -8.575 -13.532   6.804
  212    HA   ARG  28           HA       ARG  28  -6.274 -12.042   7.593
  213    HB2  ARG  28           HB2      ARG  28  -7.046 -13.527   5.048
  214    HB3  ARG  28           HB3      ARG  28  -5.509 -12.670   5.149
  215    HG2  ARG  28           HG2      ARG  28  -6.312 -14.652   7.309
  216    HG3  ARG  28           HG3      ARG  28  -5.592 -15.208   5.806
  217    HD2  ARG  28           HD2      ARG  28  -3.566 -13.973   6.163
  218    HD3  ARG  28           HD3      ARG  28  -4.283 -13.046   7.476
  219    HE   ARG  28           HE       ARG  28  -4.291 -14.964   8.901
  220   HH11  ARG  28          HH11      ARG  28  -2.219 -15.387   6.049
  221   HH12  ARG  28          HH12      ARG  28  -1.299 -16.660   6.769
  222   HH21  ARG  28          HH21      ARG  28  -3.182 -16.581   9.802
  223   HH22  ARG  28          HH22      ARG  28  -1.859 -17.372   8.992
  224    H    ALA  29           H        ALA  29  -8.493 -11.449   4.825
  225    HA   ALA  29           HA       ALA  29  -7.371  -8.983   4.071
  226    HB1  ALA  29           HB1      ALA  29  -8.908 -10.276   2.706
  227    HB2  ALA  29           HB2      ALA  29 -10.221 -10.026   3.877
  228    HB3  ALA  29           HB3      ALA  29  -9.558  -8.638   2.958
  229    H    MET  30           H        MET  30 -10.011  -9.619   6.504
  230    HA   MET  30           HA       MET  30 -10.439  -6.849   7.081
  231    HB2  MET  30           HB2      MET  30 -10.926  -9.351   8.719
  232    HB3  MET  30           HB3      MET  30 -11.335  -7.734   9.282
  233    HG2  MET  30           HG2      MET  30 -12.459  -9.041   6.780
  234    HG3  MET  30           HG3      MET  30 -13.262  -8.879   8.329
  235    HE1  MET  30           HE1      MET  30 -11.561  -6.081   5.564
  236    HE2  MET  30           HE2      MET  30 -12.360  -7.565   5.024
  237    HE3  MET  30           HE3      MET  30 -13.185  -5.994   4.876
  238    H    GLY  31           H        GLY  31  -8.113  -9.184   8.468
  239    HA2  GLY  31           HA2      GLY  31  -7.057  -7.569  10.518
  240    HA3  GLY  31           HA3      GLY  31  -6.186  -8.817   9.595
  241    H    TRP  32           H        TRP  32  -6.053  -7.880   7.051
  242    HA   TRP  32           HA       TRP  32  -4.048  -5.896   7.053
  243    HB2  TRP  32           HB2      TRP  32  -5.991  -6.350   4.759
  244    HB3  TRP  32           HB3      TRP  32  -4.386  -5.685   4.680
  245    HD1  TRP  32           HD1      TRP  32  -3.724  -8.678   6.565
  246    HE1  TRP  32           HE1      TRP  32  -3.101 -10.664   5.065
  247    HE3  TRP  32           HE3      TRP  32  -5.563  -6.903   2.159
  248    HZ2  TRP  32           HZ2      TRP  32  -3.515 -11.428   2.304
  249    HZ3  TRP  32           HZ3      TRP  32  -5.566  -8.337   0.129
  250    HH2  TRP  32           HH2      TRP  32  -4.554 -10.598   0.202
  251    H    TYR  33           H        TYR  33  -7.551  -5.586   6.274
  252    HA   TYR  33           HA       TYR  33  -7.566  -2.889   5.577
  253    HB2  TYR  33           HB2      TYR  33  -9.346  -4.320   4.952
  254    HB3  TYR  33           HB3      TYR  33  -9.597  -4.875   6.590
  255    HD1  TYR  33           HD2      TYR  33  -9.586  -1.451   4.988
  256    HD2  TYR  33           HD1      TYR  33 -11.656  -4.339   7.420
  257    HE1  TYR  33           HE2      TYR  33 -11.458   0.142   5.282
  258    HE2  TYR  33           HE1      TYR  33 -13.505  -2.745   7.762
  259    HH   TYR  33           HH       TYR  33 -13.566   0.491   6.183
  260    H    TYR  34           H        TYR  34  -8.209  -4.364   8.835
  261    HA   TYR  34           HA       TYR  34  -9.033  -1.908  10.025
  262    HB2  TYR  34           HB2      TYR  34  -7.801  -4.393  11.279
  263    HB3  TYR  34           HB3      TYR  34  -8.606  -3.104  12.156
  264    HD1  TYR  34           HD1      TYR  34 -10.861  -3.189   9.585
  265    HD2  TYR  34           HD2      TYR  34  -9.311  -5.833  12.635
  266    HE1  TYR  34           HE1      TYR  34 -12.984  -4.440   9.587
  267    HE2  TYR  34           HE2      TYR  34 -11.433  -7.096  12.623
  268    HH   TYR  34           HH       TYR  34 -13.575  -7.272  11.716
  269    H    TYR  35           H        TYR  35  -5.803  -3.574   9.909
  270    HA   TYR  35           HA       TYR  35  -4.588  -1.549  11.575
  271    HB2  TYR  35           HB2      TYR  35  -3.814  -3.942  11.288
  272    HB3  TYR  35           HB3      TYR  35  -3.261  -3.520   9.669
  273    HD1  TYR  35           HD2      TYR  35  -1.290  -2.036   9.356
  274    HD2  TYR  35           HD1      TYR  35  -2.668  -3.141  13.295
  275    HE1  TYR  35           HE2      TYR  35   0.850  -1.268  10.309
  276    HE2  TYR  35           HE1      TYR  35  -0.520  -2.385  14.262
  277    HH   TYR  35           HH       TYR  35   2.125  -1.008  12.244
  278    H    LEU  36           H        LEU  36  -4.883  -2.006   8.001
  279    HA   LEU  36           HA       LEU  36  -3.069   0.090   7.321
  280    HB2  LEU  36           HB2      LEU  36  -5.147  -1.502   5.866
  281    HB3  LEU  36           HB3      LEU  36  -4.875   0.121   5.265
  282    HG   LEU  36           HG       LEU  36  -2.498  -0.247   4.981
  283   HD11  LEU  36          HD11      LEU  36  -2.974  -3.118   5.903
  284   HD12  LEU  36          HD12      LEU  36  -1.480  -2.490   5.179
  285   HD13  LEU  36          HD13      LEU  36  -2.007  -1.899   6.756
  286   HD21  LEU  36          HD21      LEU  36  -4.169  -2.496   3.775
  287   HD22  LEU  36          HD22      LEU  36  -4.122  -0.826   3.176
  288   HD23  LEU  36          HD23      LEU  36  -2.669  -1.836   3.101
  289    H    ASP  37           H        ASP  37  -6.707   0.074   7.737
  290    HA   ASP  37           HA       ASP  37  -6.990   2.892   7.392
  291    HB2  ASP  37           HB2      ASP  37  -9.029   1.572   7.711
  292    HB3  ASP  37           HB3      ASP  37  -8.487   1.019   9.286
  293    H    ASP  38           H        ASP  38  -6.197   0.961  10.416
  294    HA   ASP  38           HA       ASP  38  -6.467   3.370  11.658
  295    HB2  ASP  38           HB2      ASP  38  -6.630   1.257  12.903
  296    HB3  ASP  38           HB3      ASP  38  -4.862   1.318  13.086
  297    H    THR  39           H        THR  39  -3.773   2.259   9.932
  298    HA   THR  39           HA       THR  39  -1.769   3.946  11.283
  299    HB   THR  39           HB       THR  39  -1.695   2.368   8.673
  300    HG1  THR  39           HG1      THR  39  -2.080   0.945  10.310
  301   HG21  THR  39          HG21      THR  39   0.719   2.499   8.903
  302   HG22  THR  39          HG22      THR  39   0.065   4.144   9.076
  303   HG23  THR  39          HG23      THR  39   0.574   3.241  10.512
  304    H    LEU  40           H        LEU  40  -3.623   3.881   8.202
  305    HA   LEU  40           HA       LEU  40  -2.730   6.345   7.121
  306    HB2  LEU  40           HB2      LEU  40  -5.426   4.967   6.881
  307    HB3  LEU  40           HB3      LEU  40  -4.851   6.255   5.829
  308    HG   LEU  40           HG       LEU  40  -3.375   3.607   6.051
  309   HD11  LEU  40          HD11      LEU  40  -5.593   4.339   4.080
  310   HD12  LEU  40          HD12      LEU  40  -4.606   2.861   4.043
  311   HD13  LEU  40          HD13      LEU  40  -5.716   3.140   5.385
  312   HD21  LEU  40          HD21      LEU  40  -2.584   4.133   3.794
  313   HD22  LEU  40          HD22      LEU  40  -3.419   5.694   3.848
  314   HD23  LEU  40          HD23      LEU  40  -2.081   5.342   4.970
  315    H    GLU  41           H        GLU  41  -3.323   8.431   7.519
  316    HA   GLU  41           HA       GLU  41  -5.652   9.000   9.296
  317    HB2  GLU  41           HB2      GLU  41  -2.937  10.350   9.132
  318    HB3  GLU  41           HB3      GLU  41  -4.330  11.059   9.959
  319    HG2  GLU  41           HG2      GLU  41  -3.158   8.332  10.643
  320    HG3  GLU  41           HG3      GLU  41  -2.734   9.829  11.457
  321    H    PHE  42           H        PHE  42  -6.337   8.541   6.915
  322    HA   PHE  42           HA       PHE  42  -6.412  10.686   5.027
  323    HB2  PHE  42           HB2      PHE  42  -8.360   9.368   4.150
  324    HB3  PHE  42           HB3      PHE  42  -6.909   8.442   4.377
  325    HD1  PHE  42           HD2      PHE  42 -10.117   9.324   6.179
  326    HD2  PHE  42           HD1      PHE  42  -7.120   6.334   5.344
  327    HE1  PHE  42           HE2      PHE  42 -11.459   7.639   7.392
  328    HE2  PHE  42           HE1      PHE  42  -8.463   4.654   6.586
  329    HZ   PHE  42           HZ       PHE  42 -10.648   5.303   7.588
  330    HA   PRO  43           HA       PRO  43  -8.755  11.278   3.566
  331    HB2  PRO  43           HB2      PRO  43  -9.382  13.854   2.918
  332    HB3  PRO  43           HB3      PRO  43 -10.589  12.659   3.478
  333    HG2  PRO  43           HG2      PRO  43  -9.178  14.767   5.131
  334    HG3  PRO  43           HG3      PRO  43 -10.933  14.396   5.064
  335    HD2  PRO  43           HD2      PRO  43  -9.348  13.380   7.018
  336    HD3  PRO  43           HD3      PRO  43 -10.649  12.392   6.292
  337    H    PHE  44           H        PHE  44  -7.226  11.855   1.920
  338    HA   PHE  44           HA       PHE  44  -5.242  13.917   2.564
  339    HB2  PHE  44           HB2      PHE  44  -3.303  12.524   2.297
  340    HB3  PHE  44           HB3      PHE  44  -4.242  11.974   3.666
  341    HD1  PHE  44           HD2      PHE  44  -3.411  11.224   0.106
  342    HD2  PHE  44           HD1      PHE  44  -4.859   9.646   3.827
  343    HE1  PHE  44           HE2      PHE  44  -3.241   8.963  -0.824
  344    HE2  PHE  44           HE1      PHE  44  -4.719   7.354   2.899
  345    HZ   PHE  44           HZ       PHE  44  -3.901   6.990   0.575
  346    H    MET  45           H        MET  45  -3.833  14.378   0.643
  347    HA   MET  45           HA       MET  45  -5.383  13.954  -1.846
  348    HB2  MET  45           HB2      MET  45  -4.654  16.254  -1.219
  349    HB3  MET  45           HB3      MET  45  -2.977  15.703  -1.100
  350    HG2  MET  45           HG2      MET  45  -3.038  15.154  -3.549
  351    HG3  MET  45           HG3      MET  45  -4.656  15.862  -3.624
  352    HE1  MET  45           HE1      MET  45  -2.219  16.552  -5.425
  353    HE2  MET  45           HE2      MET  45  -3.749  17.441  -5.599
  354    HE3  MET  45           HE3      MET  45  -2.214  18.333  -5.492
  355    H    GLY  46           H        GLY  46  -4.449  12.843  -3.668
  356    HA2  GLY  46           HA2      GLY  46  -1.675  11.950  -3.492
  357    HA3  GLY  46           HA3      GLY  46  -2.879  10.650  -3.453
  358    H    LYS  47           H        LYS  47  -1.268  10.460  -5.431
  359    HA   LYS  47           HA       LYS  47  -2.744  11.485  -7.817
  360    HB2  LYS  47           HB2      LYS  47  -0.095  11.669  -7.631
  361    HB3  LYS  47           HB3      LYS  47  -0.118   9.938  -7.895
  362    HG2  LYS  47           HG2      LYS  47   0.174  10.846 -10.053
  363    HG3  LYS  47           HG3      LYS  47  -1.530  10.417 -10.005
  364    HD2  LYS  47           HD2      LYS  47  -1.518  12.586 -10.982
  365    HD3  LYS  47           HD3      LYS  47  -1.975  12.867  -9.319
  366    HE2  LYS  47           HE2      LYS  47  -0.436  14.544  -9.656
  367    HE3  LYS  47           HE3      LYS  47   0.543  13.308  -8.862
  368    HZ1  LYS  47           HZ1      LYS  47   0.482  13.960 -11.747
  369    HZ2  LYS  47           HZ2      LYS  47   1.735  14.144 -10.728
  370    HZ3  LYS  47           HZ3      LYS  47   1.265  12.639 -11.183
  371    H    TRP  48           H        TRP  48  -4.083  10.037  -8.767
  372    HA   TRP  48           HA       TRP  48  -4.052   7.194  -7.905
  373    HB2  TRP  48           HB2      TRP  48  -6.222   8.427  -8.056
  374    HB3  TRP  48           HB3      TRP  48  -5.943   8.692  -9.764
  375    HD1  TRP  48           HD1      TRP  48  -4.832   5.317  -9.357
  376    HE1  TRP  48           HE1      TRP  48  -6.608   3.573  -9.807
  377    HE3  TRP  48           HE3      TRP  48  -8.964   8.320  -9.064
  378    HZ2  TRP  48           HZ2      TRP  48  -9.501   3.482 -10.104
  379    HZ3  TRP  48           HZ3      TRP  48 -11.221   7.374  -9.435
  380    HH2  TRP  48           HH2      TRP  48 -11.504   4.959  -9.948
  381    H    LYS  49           H        LYS  49  -2.379   6.177  -8.912
  382    HA   LYS  49           HA       LYS  49  -1.486   6.924 -11.633
  383    HB2  LYS  49           HB2      LYS  49  -0.278   5.325  -9.330
  384    HB3  LYS  49           HB3      LYS  49   0.387   5.286 -10.971
  385    HG2  LYS  49           HG2      LYS  49   0.864   7.628 -10.964
  386    HG3  LYS  49           HG3      LYS  49  -0.046   7.902  -9.477
  387    HD2  LYS  49           HD2      LYS  49   2.364   7.997  -9.109
  388    HD3  LYS  49           HD3      LYS  49   1.605   6.704  -8.170
  389    HE2  LYS  49           HE2      LYS  49   2.436   5.002  -9.635
  390    HE3  LYS  49           HE3      LYS  49   2.949   6.185 -10.850
  391    HZ1  LYS  49           HZ1      LYS  49   4.764   5.289  -9.415
  392    HZ2  LYS  49           HZ2      LYS  49   4.676   6.916  -9.420
  393    HZ3  LYS  49           HZ3      LYS  49   4.123   6.088  -8.126
  394    H    LYS  50           H        LYS  50  -3.707   6.139 -12.148
  395    HA   LYS  50           HA       LYS  50  -4.592   3.494 -11.592
  396    HB2  LYS  50           HB2      LYS  50  -5.982   5.487 -12.284
  397    HB3  LYS  50           HB3      LYS  50  -5.423   5.258 -13.944
  398    HG2  LYS  50           HG2      LYS  50  -6.466   3.045 -14.040
  399    HG3  LYS  50           HG3      LYS  50  -6.845   3.105 -12.308
  400    HD2  LYS  50           HD2      LYS  50  -8.292   5.113 -12.730
  401    HD3  LYS  50           HD3      LYS  50  -8.001   4.921 -14.472
  402    HE2  LYS  50           HE2      LYS  50  -9.026   2.679 -14.419
  403    HE3  LYS  50           HE3      LYS  50  -9.201   2.770 -12.664
  404    HZ1  LYS  50           HZ1      LYS  50 -10.595   4.556 -14.579
  405    HZ2  LYS  50           HZ2      LYS  50 -11.274   3.304 -13.783
  406    HZ3  LYS  50           HZ3      LYS  50 -10.751   4.603 -12.953
  407    H    LYS  51           H        LYS  51  -3.624   1.620 -12.251
  408    HA   LYS  51           HA       LYS  51  -2.132   1.491 -14.791
  409    HB2  LYS  51           HB2      LYS  51  -1.436   0.244 -12.711
  410    HB3  LYS  51           HB3      LYS  51  -2.914  -0.721 -12.831
  411    HG2  LYS  51           HG2      LYS  51  -2.193  -1.558 -15.062
  412    HG3  LYS  51           HG3      LYS  51  -0.721  -0.592 -14.962
  413    HD2  LYS  51           HD2      LYS  51  -1.515  -2.853 -13.076
  414    HD3  LYS  51           HD3      LYS  51  -0.412  -2.998 -14.452
  415    HE2  LYS  51           HE2      LYS  51   1.119  -1.335 -13.407
  416    HE3  LYS  51           HE3      LYS  51   0.035  -1.214 -12.013
  417    HZ1  LYS  51           HZ1      LYS  51   0.455  -3.565 -11.569
  418    HZ2  LYS  51           HZ2      LYS  51   1.459  -3.674 -12.854
  419    HZ3  LYS  51           HZ3      LYS  51   1.856  -2.735 -11.585
  420    H    SER  52           H        SER  52  -5.307   0.614 -13.481
  421    HA   SER  52           HA       SER  52  -6.075  -1.149 -15.553
  422    HB2  SER  52           HB2      SER  52  -7.779   0.488 -13.664
  423    HB3  SER  52           HB3      SER  52  -8.274  -0.970 -14.562
  424    HG   SER  52           HG       SER  52  -6.859  -2.182 -13.375
  425    H    ARG  53           H        ARG  53  -5.557  -0.191 -17.470
  426    HA   ARG  53           HA       ARG  53  -7.544   1.653 -18.667
  427    HB2  ARG  53           HB2      ARG  53  -4.497   1.730 -19.013
  428    HB3  ARG  53           HB3      ARG  53  -5.627   2.703 -19.941
  429    HG2  ARG  53           HG2      ARG  53  -5.225   2.985 -16.920
  430    HG3  ARG  53           HG3      ARG  53  -4.335   3.872 -18.135
  431    HD2  ARG  53           HD2      ARG  53  -6.082   5.302 -17.348
  432    HD3  ARG  53           HD3      ARG  53  -6.450   4.838 -19.017
  433    HE   ARG  53           HE       ARG  53  -7.646   3.134 -16.959
  434   HH11  ARG  53          HH21      ARG  53  -8.180   6.127 -18.794
  435   HH12  ARG  53          HH22      ARG  53  -9.900   6.001 -18.766
  436   HH21  ARG  53          HH11      ARG  53  -9.895   2.893 -17.024
  437   HH22  ARG  53          HH12      ARG  53 -10.903   4.117 -17.706
  438    H    LYS  54           H        LYS  54  -7.415   1.276 -21.145
  439    HA   LYS  54           HA       LYS  54  -7.459  -1.486 -21.739
  440    HB2  LYS  54           HB2      LYS  54  -7.639  -0.865 -24.063
  441    HB3  LYS  54           HB3      LYS  54  -8.623   0.212 -23.075
  442    HG2  LYS  54           HG2      LYS  54  -6.809   1.954 -23.231
  443    HG3  LYS  54           HG3      LYS  54  -5.894   0.859 -24.288
  444    HD2  LYS  54           HD2      LYS  54  -7.763   0.861 -25.916
  445    HD3  LYS  54           HD3      LYS  54  -8.676   1.967 -24.864
  446    HE2  LYS  54           HE2      LYS  54  -6.853   3.648 -25.060
  447    HE3  LYS  54           HE3      LYS  54  -5.946   2.548 -26.106
  448    HZ1  LYS  54           HZ1      LYS  54  -7.173   4.179 -27.389
  449    HZ2  LYS  54           HZ2      LYS  54  -7.756   2.694 -27.717
  450    HZ3  LYS  54           HZ3      LYS  54  -8.595   3.711 -26.749
  451    H    THR  55           H        THR  55  -4.692   0.668 -21.561
  452    HA   THR  55           HA       THR  55  -2.908  -1.043 -23.078
  453    HB   THR  55           HB       THR  55  -1.291   0.731 -22.330
  454    HG1  THR  55           HG1      THR  55  -1.815   1.827 -20.689
  455   HG21  THR  55          HG21      THR  55  -3.885   1.965 -23.368
  456   HG22  THR  55          HG22      THR  55  -2.231   2.565 -23.589
  457   HG23  THR  55          HG23      THR  55  -2.734   1.059 -24.382
  458    H    SER  56           H        SER  56  -4.101  -1.109 -19.826
  459    HA   SER  56           HA       SER  56  -3.353  -1.794 -17.827
  460    HB2  SER  56           HB2      SER  56  -1.711  -3.796 -19.413
  461    HB3  SER  56           HB3      SER  56  -2.263  -3.944 -17.738
  462    HG   SER  56           HG       SER  56  -3.606  -5.072 -19.224
  463    H    THR  57           H        THR  57  -2.029   0.525 -18.674
  464    HA   THR  57           HA       THR  57   0.570   0.256 -17.285
  465    HB   THR  57           HB       THR  57   1.479   1.961 -18.919
  466    HG1  THR  57           HG1      THR  57   0.457   2.255 -20.818
  467   HG21  THR  57          HG21      THR  57   2.084   0.317 -20.626
  468   HG22  THR  57          HG22      THR  57   2.116  -0.433 -19.018
  469   HG23  THR  57          HG23      THR  57   0.758  -0.748 -20.113
  470    H    ILE  58           H        ILE  58   1.353   2.542 -16.631
  471    HA   ILE  58           HA       ILE  58  -0.812   3.480 -14.945
  472    HB   ILE  58           HB       ILE  58   2.150   3.997 -15.112
  473   HG12  ILE  58          HG12      ILE  58   2.146   3.324 -12.789
  474   HG13  ILE  58          HG13      ILE  58   0.388   3.410 -12.695
  475   HG21  ILE  58          HG21      ILE  58   1.334   6.277 -14.764
  476   HG22  ILE  58          HG22      ILE  58   0.233   5.728 -13.480
  477   HG23  ILE  58          HG23      ILE  58   1.991   5.659 -13.253
  478   HD11  ILE  58          HD11      ILE  58   0.146   1.474 -14.109
  479   HD12  ILE  58          HD12      ILE  58   1.911   1.387 -14.370
  480   HD13  ILE  58          HD13      ILE  58   1.223   1.098 -12.753
  481    H    GLU  59           H        GLU  59  -1.913   5.204 -15.057
  482    HA   GLU  59           HA       GLU  59  -1.228   7.486 -16.813
  483    HB2  GLU  59           HB2      GLU  59  -3.922   6.061 -16.603
  484    HB3  GLU  59           HB3      GLU  59  -3.797   7.746 -17.089
  485    HG2  GLU  59           HG2      GLU  59  -2.517   5.387 -18.531
  486    HG3  GLU  59           HG3      GLU  59  -3.972   6.243 -19.030
  487    H    GLU  60           H        GLU  60  -2.037   9.495 -15.796
  488    HA   GLU  60           HA       GLU  60  -2.170   9.113 -12.831
  489    HB2  GLU  60           HB2      GLU  60  -0.688  11.129 -14.555
  490    HB3  GLU  60           HB3      GLU  60  -0.943  11.325 -12.818
  491    HG2  GLU  60           HG2      GLU  60   0.193   9.189 -12.379
  492    HG3  GLU  60           HG3      GLU  60   0.488   8.964 -14.106
  493    H    LYS  61           H        LYS  61  -3.692  10.117 -11.685
  494    HA   LYS  61           HA       LYS  61  -5.106  12.498 -12.842
  495    HB2  LYS  61           HB2      LYS  61  -6.532  10.518 -13.173
  496    HB3  LYS  61           HB3      LYS  61  -6.233   9.990 -11.521
  497    HG2  LYS  61           HG2      LYS  61  -7.383  12.170 -10.755
  498    HG3  LYS  61           HG3      LYS  61  -7.888  12.376 -12.427
  499    HD2  LYS  61           HD2      LYS  61  -8.442   9.948 -10.648
  500    HD3  LYS  61           HD3      LYS  61  -9.582  11.244 -10.929
  501    HE2  LYS  61           HE2      LYS  61  -8.530   9.266 -13.000
  502    HE3  LYS  61           HE3      LYS  61 -10.130   9.283 -12.263
  503    HZ1  LYS  61           HZ1      LYS  61  -9.053  11.232 -14.196
  504    HZ2  LYS  61           HZ2      LYS  61 -10.420  10.352 -14.306
  505    HZ3  LYS  61           HZ3      LYS  61 -10.328  11.621 -13.254
  506    H    THR  62           H        THR  62  -5.339  14.103 -11.197
  507    HA   THR  62           HA       THR  62  -3.960  13.501  -8.636
  508    HB   THR  62           HB       THR  62  -4.907  16.175  -9.737
  509    HG1  THR  62           HG1      THR  62  -3.359  15.387 -11.126
  510   HG21  THR  62          HG21      THR  62  -3.214  17.053  -8.152
  511   HG22  THR  62          HG22      THR  62  -4.463  16.124  -7.306
  512   HG23  THR  62          HG23      THR  62  -2.869  15.395  -7.594
  513    H    VAL  63           H        VAL  63  -5.106  13.209  -6.751
  514    HA   VAL  63           HA       VAL  63  -8.028  13.691  -6.831
  515    HB   VAL  63           HB       VAL  63  -8.350  11.432  -5.990
  516   HG11  VAL  63          HG11      VAL  63  -8.506  11.852  -8.449
  517   HG12  VAL  63          HG12      VAL  63  -6.830  11.287  -8.623
  518   HG13  VAL  63          HG13      VAL  63  -8.086  10.187  -8.037
  519   HG21  VAL  63          HG21      VAL  63  -6.083  10.985  -5.013
  520   HG22  VAL  63          HG22      VAL  63  -6.616   9.704  -6.096
  521   HG23  VAL  63          HG23      VAL  63  -5.424  10.871  -6.660
  522    H    GLU  64           H        GLU  64  -9.059  13.463  -4.830
  523    HA   GLU  64           HA       GLU  64  -7.366  13.698  -2.376
  524    HB2  GLU  64           HB2      GLU  64  -8.650  15.777  -2.820
  525    HB3  GLU  64           HB3      GLU  64 -10.146  14.844  -2.907
  526    HG2  GLU  64           HG2      GLU  64  -9.904  14.161  -0.559
  527    HG3  GLU  64           HG3      GLU  64  -8.304  14.901  -0.472
  528    H    VAL  65           H        VAL  65  -7.574  11.912  -1.097
  529    HA   VAL  65           HA       VAL  65  -9.782  10.020  -1.702
  530    HB   VAL  65           HB       VAL  65  -8.725   8.337  -0.609
  531   HG11  VAL  65          HG11      VAL  65  -6.423   9.752  -2.003
  532   HG12  VAL  65          HG12      VAL  65  -6.678   8.003  -1.826
  533   HG13  VAL  65          HG13      VAL  65  -7.763   8.952  -2.853
  534   HG21  VAL  65          HG21      VAL  65  -7.969   9.277   1.437
  535   HG22  VAL  65          HG22      VAL  65  -6.690   8.359   0.660
  536   HG23  VAL  65          HG23      VAL  65  -6.644  10.132   0.594
  537    H    LEU  66           H        LEU  66 -11.369   9.580  -0.290
  538    HA   LEU  66           HA       LEU  66 -11.671  11.518   1.926
  539    HB2  LEU  66           HB2      LEU  66 -13.634   9.510   0.745
  540    HB3  LEU  66           HB3      LEU  66 -13.985  10.711   1.969
  541    HG   LEU  66           HG       LEU  66 -14.867  11.579   0.007
  542   HD11  LEU  66          HD11      LEU  66 -13.551  13.247   1.315
  543   HD12  LEU  66          HD12      LEU  66 -12.173  12.993   0.216
  544   HD13  LEU  66          HD13      LEU  66 -13.695  13.659  -0.402
  545   HD21  LEU  66          HD21      LEU  66 -12.275  11.275  -1.555
  546   HD22  LEU  66          HD22      LEU  66 -13.617  10.103  -1.607
  547   HD23  LEU  66          HD23      LEU  66 -13.866  11.775  -2.126
  548    H    GLY  67           H        GLY  67 -10.922   8.105   1.434
  549    HA2  GLY  67           HA2      GLY  67  -9.856   7.501   3.755
  550    HA3  GLY  67           HA3      GLY  67 -11.578   7.311   4.165
  551    H    MET  68           H        MET  68 -10.345   5.119   4.446
  552    HA   MET  68           HA       MET  68 -10.082   3.400   2.123
  553    HB2  MET  68           HB2      MET  68 -10.628   2.780   5.055
  554    HB3  MET  68           HB3      MET  68 -10.418   1.545   3.812
  555    HG2  MET  68           HG2      MET  68  -8.305   3.637   4.399
  556    HG3  MET  68           HG3      MET  68  -8.383   2.100   5.246
  557    HE1  MET  68           HE1      MET  68  -8.921  -0.197   3.165
  558    HE2  MET  68           HE2      MET  68  -7.244  -0.543   2.707
  559    HE3  MET  68           HE3      MET  68  -7.627  -0.158   4.394
  560    H    ALA  69           H        ALA  69 -11.558   1.920   1.322
  561    HA   ALA  69           HA       ALA  69 -14.329   2.716   1.168
  562    HB1  ALA  69           HB1      ALA  69 -12.907   0.136   0.395
  563    HB2  ALA  69           HB2      ALA  69 -14.486   0.645  -0.203
  564    HB3  ALA  69           HB3      ALA  69 -13.053   1.574  -0.654
  565    HA   PRO  70           HA       PRO  70 -15.947   0.369   4.605
  566    HB2  PRO  70           HB2      PRO  70 -18.212  -0.877   3.618
  567    HB3  PRO  70           HB3      PRO  70 -18.105   0.867   4.000
  568    HG2  PRO  70           HG2      PRO  70 -17.739  -0.476   1.305
  569    HG3  PRO  70           HG3      PRO  70 -18.751   0.952   1.703
  570    HD2  PRO  70           HD2      PRO  70 -16.300   1.258   0.643
  571    HD3  PRO  70           HD3      PRO  70 -16.839   2.343   1.951
  572    H    ASP  71           H        ASP  71 -16.319  -1.788   5.419
  573    HA   ASP  71           HA       ASP  71 -14.380  -3.636   4.742
  574    HB2  ASP  71           HB2      ASP  71 -15.281  -5.023   6.358
  575    HB3  ASP  71           HB3      ASP  71 -15.728  -3.416   6.904
  576    H    ASP  72           H        ASP  72 -17.616  -3.342   3.370
  577    HA   ASP  72           HA       ASP  72 -17.901  -5.963   2.317
  578    HB2  ASP  72           HB2      ASP  72 -19.748  -4.346   2.506
  579    HB3  ASP  72           HB3      ASP  72 -18.986  -3.314   1.291
  580    H    GLU  73           H        GLU  73 -16.045  -3.200   1.193
  581    HA   GLU  73           HA       GLU  73 -15.381  -4.501  -1.408
  582    HB2  GLU  73           HB2      GLU  73 -14.601  -1.824  -0.164
  583    HB3  GLU  73           HB3      GLU  73 -14.028  -2.401  -1.723
  584    HG2  GLU  73           HG2      GLU  73 -16.959  -1.893  -1.058
  585    HG3  GLU  73           HG3      GLU  73 -15.892  -0.752  -1.858
  586    H    CYS  74           H        CYS  74 -13.935  -3.395   1.696
  587    HA   CYS  74           HA       CYS  74 -11.324  -4.232   0.981
  588    HB2  CYS  74           HB2      CYS  74 -12.512  -3.414   3.642
  589    HB3  CYS  74           HB3      CYS  74 -10.786  -3.709   3.365
  590    HG   CYS  74           HG       CYS  74 -11.671  -1.085   3.347
  591    H    LEU  75           H        LEU  75 -13.674  -6.311   1.401
  592    HA   LEU  75           HA       LEU  75 -12.293  -8.395   2.966
  593    HB2  LEU  75           HB2      LEU  75 -14.920  -8.108   1.490
  594    HB3  LEU  75           HB3      LEU  75 -14.303  -9.727   1.758
  595    HG   LEU  75           HG       LEU  75 -14.606  -7.778   4.065
  596   HD11  LEU  75          HD11      LEU  75 -16.640  -9.796   3.032
  597   HD12  LEU  75          HD12      LEU  75 -16.767  -8.852   4.537
  598   HD13  LEU  75          HD13      LEU  75 -16.786  -8.024   2.973
  599   HD21  LEU  75          HD21      LEU  75 -14.491 -10.816   3.947
  600   HD22  LEU  75          HD22      LEU  75 -13.157  -9.763   4.460
  601   HD23  LEU  75          HD23      LEU  75 -14.642  -9.825   5.414
  602    H    LYS  76           H        LYS  76 -12.131  -7.132  -0.221
  603    HA   LYS  76           HA       LYS  76 -11.196  -9.763  -1.323
  604    HB2  LYS  76           HB2      LYS  76 -12.583  -7.430  -2.707
  605    HB3  LYS  76           HB3      LYS  76 -11.979  -8.888  -3.503
  606    HG2  LYS  76           HG2      LYS  76 -13.524 -10.280  -2.141
  607    HG3  LYS  76           HG3      LYS  76 -14.168  -8.814  -1.373
  608    HD2  LYS  76           HD2      LYS  76 -14.870  -7.956  -3.592
  609    HD3  LYS  76           HD3      LYS  76 -14.291  -9.436  -4.363
  610    HE2  LYS  76           HE2      LYS  76 -16.458  -9.300  -2.211
  611    HE3  LYS  76           HE3      LYS  76 -16.772  -9.355  -3.946
  612    HZ1  LYS  76           HZ1      LYS  76 -15.697 -11.527  -4.020
  613    HZ2  LYS  76           HZ2      LYS  76 -15.426 -11.498  -2.405
  614    HZ3  LYS  76           HZ3      LYS  76 -16.948 -11.540  -2.980
  615    H    ASP  77           H        ASP  77 -10.570  -6.237  -1.203
  616    HA   ASP  77           HA       ASP  77  -7.740  -6.616  -1.635
  617    HB2  ASP  77           HB2      ASP  77  -8.588  -6.713  -4.001
  618    HB3  ASP  77           HB3      ASP  77  -9.356  -5.151  -3.763
  619    H    MET  78           H        MET  78  -6.733  -4.287  -1.476
  620    HA   MET  78           HA       MET  78  -8.277  -2.831   0.606
  621    HB2  MET  78           HB2      MET  78  -5.483  -2.396  -0.513
  622    HB3  MET  78           HB3      MET  78  -6.211  -1.470   0.802
  623    HG2  MET  78           HG2      MET  78  -5.624  -4.457   0.828
  624    HG3  MET  78           HG3      MET  78  -4.686  -3.200   1.603
  625    HE1  MET  78           HE1      MET  78  -8.250  -5.464   3.279
  626    HE2  MET  78           HE2      MET  78  -8.709  -4.513   1.859
  627    HE3  MET  78           HE3      MET  78  -7.407  -5.713   1.741
  628    H    TYR  79           H        TYR  79  -9.567  -1.141   0.128
  629    HA   TYR  79           HA       TYR  79  -9.203   0.289  -2.456
  630    HB2  TYR  79           HB2      TYR  79 -11.745  -0.814  -1.210
  631    HB3  TYR  79           HB3      TYR  79 -11.739   0.376  -2.494
  632    HD1  TYR  79           HD1      TYR  79 -10.735  -0.247  -4.766
  633    HD2  TYR  79           HD2      TYR  79 -11.704  -3.125  -1.712
  634    HE1  TYR  79           HE1      TYR  79 -10.868  -2.018  -6.490
  635    HE2  TYR  79           HE2      TYR  79 -11.916  -4.886  -3.419
  636    HH   TYR  79           HH       TYR  79 -11.754  -5.413  -5.696
  637    H    VAL  80           H        VAL  80 -10.131   2.377  -2.493
  638    HA   VAL  80           HA       VAL  80 -10.609   3.738   0.097
  639    HB   VAL  80           HB       VAL  80  -9.101   5.598  -0.925
  640   HG11  VAL  80          HG11      VAL  80  -7.066   4.690   0.132
  641   HG12  VAL  80          HG12      VAL  80  -8.493   4.464   1.133
  642   HG13  VAL  80          HG13      VAL  80  -7.827   3.085   0.227
  643   HG21  VAL  80          HG21      VAL  80  -7.231   4.917  -2.294
  644   HG22  VAL  80          HG22      VAL  80  -7.760   3.222  -2.302
  645   HG23  VAL  80          HG23      VAL  80  -8.717   4.455  -3.141
  646    H    GLU  81           H        GLU  81 -11.883   5.568  -0.104
  647    HA   GLU  81           HA       GLU  81 -13.477   5.843  -2.597
  648    HB2  GLU  81           HB2      GLU  81 -13.673   7.155   0.156
  649    HB3  GLU  81           HB3      GLU  81 -14.703   7.557  -1.230
  650    HG2  GLU  81           HG2      GLU  81 -15.442   5.157  -1.325
  651    HG3  GLU  81           HG3      GLU  81 -14.515   4.839   0.142
  652    H    VAL  82           H        VAL  82 -13.004   7.497  -4.027
  653    HA   VAL  82           HA       VAL  82 -10.897   9.483  -3.306
  654    HB   VAL  82           HB       VAL  82 -10.819   7.562  -5.645
  655   HG11  VAL  82          HG11      VAL  82  -9.806   9.671  -6.235
  656   HG12  VAL  82          HG12      VAL  82  -8.809   9.625  -4.755
  657   HG13  VAL  82          HG13      VAL  82  -8.575   8.428  -6.059
  658   HG21  VAL  82          HG21      VAL  82 -10.212   6.190  -3.891
  659   HG22  VAL  82          HG22      VAL  82  -8.657   6.759  -4.485
  660   HG23  VAL  82          HG23      VAL  82  -9.361   7.463  -3.014
  661    H    ALA  83           H        ALA  83 -11.005  11.417  -4.489
  662    HA   ALA  83           HA       ALA  83 -13.268  11.711  -6.410
  663    HB1  ALA  83           HB1      ALA  83 -13.653  13.939  -5.375
  664    HB2  ALA  83           HB2      ALA  83 -13.978  12.611  -4.251
  665    HB3  ALA  83           HB3      ALA  83 -12.470  13.549  -4.109
  666    H    ASP  84           H        ASP  84 -12.837  13.036  -8.114
  667    HA   ASP  84           HA       ASP  84  -9.974  13.358  -8.742
  668    HB2  ASP  84           HB2      ASP  84 -11.569  12.290 -10.279
  669    HB3  ASP  84           HB3      ASP  84 -12.530  13.759 -10.345
  670    H    ILE  85           H        ILE  85  -8.905  15.220  -8.325
  671    HA   ILE  85           HA       ILE  85 -10.365  17.557  -7.411
  672    HB   ILE  85           HB       ILE  85  -7.413  17.060  -7.882
  673   HG12  ILE  85          HG12      ILE  85  -9.045  17.154  -5.291
  674   HG13  ILE  85          HG13      ILE  85  -8.495  15.685  -6.070
  675   HG21  ILE  85          HG21      ILE  85  -6.967  19.067  -6.541
  676   HG22  ILE  85          HG22      ILE  85  -7.920  19.517  -7.931
  677   HG23  ILE  85          HG23      ILE  85  -8.710  19.345  -6.340
  678   HD11  ILE  85          HD11      ILE  85  -6.114  16.438  -5.760
  679   HD12  ILE  85          HD12      ILE  85  -6.721  17.810  -4.796
  680   HD13  ILE  85          HD13      ILE  85  -6.991  16.170  -4.250
  681    H    GLY  86           H        GLY  86  -9.182  16.451 -10.543
  682    HA2  GLY  86           HA2      GLY  86  -8.677  19.073 -11.685
  683    HA3  GLY  86           HA3      GLY  86  -8.768  17.513 -12.522
  684    H    GLY  87           H        GLY  87 -11.436  16.784 -11.589
  685    HA2  GLY  87           HA2      GLY  87 -13.444  18.703 -11.929
  686    HA3  GLY  87           HA3      GLY  87 -13.101  18.031 -13.537
  687    H    LYS  88           H        LYS  88 -15.590  17.570 -12.406
  688    HA   LYS  88           HA       LYS  88 -17.076  16.098 -11.577
  689    HB2  LYS  88           HB2      LYS  88 -15.190  14.001 -12.719
  690    HB3  LYS  88           HB3      LYS  88 -16.834  13.710 -12.148
  691    HG2  LYS  88           HG2      LYS  88 -17.698  15.336 -13.836
  692    HG3  LYS  88           HG3      LYS  88 -16.055  15.527 -14.458
  693    HD2  LYS  88           HD2      LYS  88 -17.319  14.004 -15.854
  694    HD3  LYS  88           HD3      LYS  88 -15.989  13.136 -15.096
  695    HE2  LYS  88           HE2      LYS  88 -18.571  13.101 -13.583
  696    HE3  LYS  88           HE3      LYS  88 -18.656  12.340 -15.169
  697    HZ1  LYS  88           HZ1      LYS  88 -18.041  10.864 -13.254
  698    HZ2  LYS  88           HZ2      LYS  88 -17.039  10.775 -14.558
  699    HZ3  LYS  88           HZ3      LYS  88 -16.577  11.572 -13.203
  700    H    ASP  89           H        ASP  89 -14.945  17.040  -9.782
  701    HA   ASP  89           HA       ASP  89 -14.178  15.293  -7.786
  702    HB2  ASP  89           HB2      ASP  89 -13.640  17.685  -7.781
  703    HB3  ASP  89           HB3      ASP  89 -15.337  18.097  -7.567
  704    H    ASP  90           H        ASP  90 -17.441  16.648  -8.328
  705    HA   ASP  90           HA       ASP  90 -18.616  15.731  -5.898
  706    HB2  ASP  90           HB2      ASP  90 -19.548  17.533  -7.283
  707    HB3  ASP  90           HB3      ASP  90 -19.849  16.395  -8.598
  708    H    ASP  91           H        ASP  91 -17.756  13.957  -8.784
  709    HA   ASP  91           HA       ASP  91 -19.815  11.861  -8.286
  710    HB2  ASP  91           HB2      ASP  91 -19.770  12.770 -10.551
  711    HB3  ASP  91           HB3      ASP  91 -18.054  12.375 -10.694
  712    H    VAL  92           H        VAL  92 -18.361  11.736  -6.316
  713    HA   VAL  92           HA       VAL  92 -15.752  10.823  -6.272
  714    HB   VAL  92           HB       VAL  92 -17.935   9.962  -4.346
  715   HG11  VAL  92          HG11      VAL  92 -15.804   8.833  -3.888
  716   HG12  VAL  92          HG12      VAL  92 -14.957  10.394  -3.900
  717   HG13  VAL  92          HG13      VAL  92 -16.144  10.020  -2.634
  718   HG21  VAL  92          HG21      VAL  92 -16.362  12.572  -4.411
  719   HG22  VAL  92          HG22      VAL  92 -18.122  12.385  -4.547
  720   HG23  VAL  92          HG23      VAL  92 -17.323  12.016  -3.026
  721    H    TYR  93           H        TYR  93 -14.749   8.823  -6.173
  722    HA   TYR  93           HA       TYR  93 -16.130   6.523  -7.466
  723    HB2  TYR  93           HB2      TYR  93 -13.206   7.309  -7.728
  724    HB3  TYR  93           HB3      TYR  93 -14.092   6.155  -8.700
  725    HD1  TYR  93           HD1      TYR  93 -15.652   6.942 -10.504
  726    HD2  TYR  93           HD2      TYR  93 -13.218   9.670  -8.211
  727    HE1  TYR  93           HE1      TYR  93 -15.999   8.693 -12.224
  728    HE2  TYR  93           HE2      TYR  93 -13.594  11.433  -9.904
  729    HH   TYR  93           HH       TYR  93 -14.502  11.959 -11.942
  730    H    THR  94           H        THR  94 -14.482   4.605  -7.264
  731    HA   THR  94           HA       THR  94 -13.182   4.495  -4.587
  732    HB   THR  94           HB       THR  94 -14.583   2.081  -5.770
  733    HG1  THR  94           HG1      THR  94 -16.160   3.643  -5.320
  734   HG21  THR  94          HG21      THR  94 -12.836   1.679  -4.059
  735   HG22  THR  94          HG22      THR  94 -13.698   2.746  -2.927
  736   HG23  THR  94          HG23      THR  94 -14.445   1.228  -3.474
  737    H    ALA  95           H        ALA  95 -11.147   3.659  -4.692
  738    HA   ALA  95           HA       ALA  95 -10.136   2.594  -7.292
  739    HB1  ALA  95           HB1      ALA  95  -8.113   3.958  -6.996
  740    HB2  ALA  95           HB2      ALA  95  -9.532   5.029  -7.031
  741    HB3  ALA  95           HB3      ALA  95  -8.745   4.632  -5.490
  742    H    LYS  96           H        LYS  96  -8.193   1.260  -6.946
  743    HA   LYS  96           HA       LYS  96  -8.221  -0.121  -4.326
  744    HB2  LYS  96           HB2      LYS  96  -6.313  -1.444  -5.338
  745    HB3  LYS  96           HB3      LYS  96  -7.931  -1.750  -5.921
  746    HG2  LYS  96           HG2      LYS  96  -6.255   0.209  -7.480
  747    HG3  LYS  96           HG3      LYS  96  -5.824  -1.502  -7.545
  748    HD2  LYS  96           HD2      LYS  96  -8.014  -2.135  -8.357
  749    HD3  LYS  96           HD3      LYS  96  -8.636  -0.503  -8.146
  750    HE2  LYS  96           HE2      LYS  96  -8.172  -0.958 -10.498
  751    HE3  LYS  96           HE3      LYS  96  -7.157   0.357  -9.903
  752    HZ1  LYS  96           HZ1      LYS  96  -6.201  -2.431 -10.153
  753    HZ2  LYS  96           HZ2      LYS  96  -6.045  -1.283 -11.309
  754    HZ3  LYS  96           HZ3      LYS  96  -5.289  -1.067  -9.870
  755    H    LEU  97           H        LEU  97  -6.705   0.237  -2.802
  756    HA   LEU  97           HA       LEU  97  -5.157   2.603  -2.690
  757    HB2  LEU  97           HB2      LEU  97  -5.884   1.191  -0.746
  758    HB3  LEU  97           HB3      LEU  97  -4.744  -0.057  -1.256
  759    HG   LEU  97           HG       LEU  97  -2.845   1.524  -0.858
  760   HD11  LEU  97          HD11      LEU  97  -3.924   3.701  -1.171
  761   HD12  LEU  97          HD12      LEU  97  -5.051   3.372   0.168
  762   HD13  LEU  97          HD13      LEU  97  -3.325   3.599   0.486
  763   HD21  LEU  97          HD21      LEU  97  -3.586  -0.046   0.885
  764   HD22  LEU  97          HD22      LEU  97  -2.971   1.453   1.591
  765   HD23  LEU  97          HD23      LEU  97  -4.725   1.168   1.513
  766    H    SER  98           H        SER  98  -4.485  -0.579  -4.038
  767    HA   SER  98           HA       SER  98  -1.733  -0.585  -4.413
  768    HB2  SER  98           HB2      SER  98  -3.952  -1.588  -6.240
  769    HB3  SER  98           HB3      SER  98  -2.308  -2.220  -6.153
  770    HG   SER  98           HG       SER  98  -3.902  -3.406  -4.882
  771    H    ASP  99           H        ASP  99  -4.118   1.420  -6.060
  772    HA   ASP  99           HA       ASP  99  -2.165   2.122  -8.212
  773    HB2  ASP  99           HB2      ASP  99  -5.202   2.214  -8.099
  774    HB3  ASP  99           HB3      ASP  99  -4.272   3.094  -9.295
  775    H    ILE 100           H        ILE 100  -2.770   3.193  -5.228
  776    HA   ILE 100           HA       ILE 100  -2.915   6.077  -5.981
  777    HB   ILE 100           HB       ILE 100  -3.981   4.516  -3.650
  778   HG12  ILE 100          HG12      ILE 100  -5.184   5.303  -5.814
  779   HG13  ILE 100          HG13      ILE 100  -6.000   5.441  -4.250
  780   HG21  ILE 100          HG21      ILE 100  -3.325   7.488  -3.433
  781   HG22  ILE 100          HG22      ILE 100  -4.421   6.586  -2.361
  782   HG23  ILE 100          HG23      ILE 100  -2.711   6.162  -2.421
  783   HD11  ILE 100          HD11      ILE 100  -4.617   7.736  -5.666
  784   HD12  ILE 100          HD12      ILE 100  -6.351   7.346  -5.769
  785   HD13  ILE 100          HD13      ILE 100  -5.650   7.820  -4.215
  786    H    GLU 101           H        GLU 101  -1.508   7.420  -5.211
  787    HA   GLU 101           HA       GLU 101   0.686   6.508  -3.430
  788    HB2  GLU 101           HB2      GLU 101   1.440   6.356  -5.805
  789    HB3  GLU 101           HB3      GLU 101   1.089   8.075  -6.024
  790    HG2  GLU 101           HG2      GLU 101   2.741   8.627  -4.245
  791    HG3  GLU 101           HG3      GLU 101   3.056   6.906  -3.997
  792    H    ALA 102           H        ALA 102   0.484   7.831  -1.663
  793    HA   ALA 102           HA       ALA 102  -1.183  10.185  -1.751
  794    HB1  ALA 102           HB1      ALA 102   0.753   9.220   0.391
  795    HB2  ALA 102           HB2      ALA 102  -0.481  10.490   0.578
  796    HB3  ALA 102           HB3      ALA 102  -0.983   8.835   0.295
  797    H    ILE 103           H        ILE 103  -0.619  12.322  -1.393
  798    HA   ILE 103           HA       ILE 103   2.201  13.117  -2.010
  799    HB   ILE 103           HB       ILE 103  -0.443  14.429  -2.739
  800   HG12  ILE 103          HG12      ILE 103   1.705  13.398  -4.651
  801   HG13  ILE 103          HG13      ILE 103   0.332  12.420  -4.171
  802   HG21  ILE 103          HG21      ILE 103   2.393  15.376  -3.344
  803   HG22  ILE 103          HG22      ILE 103   0.896  16.143  -3.918
  804   HG23  ILE 103          HG23      ILE 103   1.267  16.143  -2.203
  805   HD11  ILE 103          HD11      ILE 103   0.206  15.031  -5.719
  806   HD12  ILE 103          HD12      ILE 103  -0.229  13.409  -6.261
  807   HD13  ILE 103          HD13      ILE 103  -1.219  14.211  -5.035
  808    H    ASP 104           H        ASP 104   3.169  14.342  -0.565
  809    HA   ASP 104           HA       ASP 104   3.647  15.372   1.369
  810    HB2  ASP 104           HB2      ASP 104   2.919  17.152  -0.154
  811    HB3  ASP 104           HB3      ASP 104   1.285  17.056   0.507
  812    H    VAL 105           H        VAL 105   2.369  13.085   2.045
  813    HA   VAL 105           HA       VAL 105   0.304  13.797   4.052
  814    HB   VAL 105           HB       VAL 105  -0.038  12.104   2.146
  815   HG11  VAL 105          HG11      VAL 105   1.512  10.286   4.004
  816   HG12  VAL 105          HG12      VAL 105   0.506   9.755   2.674
  817   HG13  VAL 105          HG13      VAL 105   1.961  10.724   2.351
  818   HG21  VAL 105          HG21      VAL 105  -1.609  10.886   3.376
  819   HG22  VAL 105          HG22      VAL 105  -0.817  11.256   4.928
  820   HG23  VAL 105          HG23      VAL 105  -1.586  12.542   3.985
  821    H    ASP 106           H        ASP 106   0.384  12.196   6.049
  822    HA   ASP 106           HA       ASP 106   2.780  12.812   7.494
  823    HB2  ASP 106           HB2      ASP 106   0.408  12.450   8.447
  824    HB3  ASP 106           HB3      ASP 106   0.745  10.714   8.257
  825    H    ASP 107           H        ASP 107   3.941  11.082   8.689
  826    HA   ASP 107           HA       ASP 107   5.379   9.370   6.815
  827    HB2  ASP 107           HB2      ASP 107   6.542  10.446   8.680
  828    HB3  ASP 107           HB3      ASP 107   5.476   9.652   9.843
  829    H    ASP 108           H        ASP 108   2.888   8.900   9.392
  830    HA   ASP 108           HA       ASP 108   3.140   6.041   9.299
  831    HB2  ASP 108           HB2      ASP 108   1.974   7.787  11.045
  832    HB3  ASP 108           HB3      ASP 108   0.544   7.232  10.173
  833    H    THR 109           H        THR 109   0.829   8.356   7.743
  834    HA   THR 109           HA       THR 109  -0.706   6.427   6.373
  835    HB   THR 109           HB       THR 109  -0.016   9.267   5.468
  836    HG1  THR 109           HG1      THR 109  -1.462   9.943   6.930
  837   HG21  THR 109          HG21      THR 109  -2.495   7.545   5.042
  838   HG22  THR 109          HG22      THR 109  -2.362   9.237   4.620
  839   HG23  THR 109          HG23      THR 109  -1.336   8.060   3.783
  840    H    GLN 110           H        GLN 110   2.313   8.157   5.366
  841    HA   GLN 110           HA       GLN 110   2.369   6.901   2.819
  842    HB2  GLN 110           HB2      GLN 110   3.505   9.025   3.434
  843    HB3  GLN 110           HB3      GLN 110   4.640   8.120   4.437
  844    HG2  GLN 110           HG2      GLN 110   5.551   8.740   2.239
  845    HG3  GLN 110           HG3      GLN 110   5.530   6.988   2.482
  846   HE21  GLN 110          HE22      GLN 110   4.090   5.688   1.197
  847   HE22  GLN 110          HE21      GLN 110   3.394   6.333  -0.282
  848    H    GLU 111           H        GLU 111   3.676   5.885   5.996
  849    HA   GLU 111           HA       GLU 111   5.201   3.678   5.022
  850    HB2  GLU 111           HB2      GLU 111   4.000   4.501   7.677
  851    HB3  GLU 111           HB3      GLU 111   4.594   2.859   7.503
  852    HG2  GLU 111           HG2      GLU 111   6.338   5.208   6.700
  853    HG3  GLU 111           HG3      GLU 111   6.209   4.679   8.381
  854    H    ALA 112           H        ALA 112   1.760   3.925   6.063
  855    HA   ALA 112           HA       ALA 112   1.181   1.142   5.843
  856    HB1  ALA 112           HB1      ALA 112  -0.329   2.836   6.872
  857    HB2  ALA 112           HB2      ALA 112  -0.619   3.535   5.278
  858    HB3  ALA 112           HB3      ALA 112  -1.162   1.880   5.629
  859    H    ILE 113           H        ILE 113   1.130   3.790   3.454
  860    HA   ILE 113           HA       ILE 113   0.103   2.262   1.267
  861    HB   ILE 113           HB       ILE 113   1.676   4.838   1.503
  862   HG12  ILE 113          HG12      ILE 113  -1.219   4.482   0.661
  863   HG13  ILE 113          HG13      ILE 113  -0.779   4.544   2.363
  864   HG21  ILE 113          HG21      ILE 113   0.458   3.651  -1.025
  865   HG22  ILE 113          HG22      ILE 113   1.037   5.322  -0.871
  866   HG23  ILE 113          HG23      ILE 113   2.178   3.988  -0.717
  867   HD11  ILE 113          HD11      ILE 113  -0.285   6.723   0.332
  868   HD12  ILE 113          HD12      ILE 113  -1.427   6.739   1.700
  869   HD13  ILE 113          HD13      ILE 113   0.315   6.756   2.006
  870    H    ALA 114           H        ALA 114   3.500   3.159   2.154
  871    HA   ALA 114           HA       ALA 114   4.738   1.816  -0.003
  872    HB1  ALA 114           HB1      ALA 114   5.900   3.467   1.416
  873    HB2  ALA 114           HB2      ALA 114   5.795   2.366   2.810
  874    HB3  ALA 114           HB3      ALA 114   6.776   1.923   1.398
  875    H    ASP 115           H        ASP 115   3.899   0.692   3.300
  876    HA   ASP 115           HA       ASP 115   5.063  -1.890   3.049
  877    HB2  ASP 115           HB2      ASP 115   4.427  -0.706   5.168
  878    HB3  ASP 115           HB3      ASP 115   2.734  -1.067   4.821
  879    H    TRP 116           H        TRP 116   1.756  -0.673   2.307
  880    HA   TRP 116           HA       TRP 116   0.660  -3.223   1.612
  881    HB2  TRP 116           HB2      TRP 116  -0.765  -1.274   2.017
  882    HB3  TRP 116           HB3      TRP 116  -0.034  -0.409   0.670
  883    HD1  TRP 116           HD1      TRP 116  -1.338  -0.546  -1.517
  884    HE1  TRP 116           HE1      TRP 116  -2.870  -2.236  -2.699
  885    HE3  TRP 116           HE3      TRP 116  -1.516  -4.148   2.124
  886    HZ2  TRP 116           HZ2      TRP 116  -3.955  -4.836  -2.157
  887    HZ3  TRP 116           HZ3      TRP 116  -2.783  -6.241   1.743
  888    HH2  TRP 116           HH2      TRP 116  -3.987  -6.605  -0.402
  889    H    LEU 117           H        LEU 117   2.472  -0.734  -0.264
  890    HA   LEU 117           HA       LEU 117   1.973  -1.980  -2.778
  891    HB2  LEU 117           HB2      LEU 117   4.055   0.014  -1.832
  892    HB3  LEU 117           HB3      LEU 117   4.017  -0.564  -3.494
  893    HG   LEU 117           HG       LEU 117   1.581   0.714  -2.179
  894   HD11  LEU 117          HD11      LEU 117   3.445   2.314  -2.149
  895   HD12  LEU 117          HD12      LEU 117   3.723   2.050  -3.885
  896   HD13  LEU 117          HD13      LEU 117   2.209   2.797  -3.319
  897   HD21  LEU 117          HD21      LEU 117   1.051  -0.608  -4.179
  898   HD22  LEU 117          HD22      LEU 117   0.875   1.115  -4.510
  899   HD23  LEU 117          HD23      LEU 117   2.308   0.246  -5.100
  900    H    TYR 118           H        TYR 118   4.744  -2.405  -0.446
  901    HA   TYR 118           HA       TYR 118   5.841  -4.357  -2.326
  902    HB2  TYR 118           HB2      TYR 118   7.517  -4.906  -0.706
  903    HB3  TYR 118           HB3      TYR 118   7.480  -3.242  -1.212
  904    HD1  TYR 118           HD2      TYR 118   6.083  -5.342   1.634
  905    HD2  TYR 118           HD1      TYR 118   8.070  -1.712   0.398
  906    HE1  TYR 118           HE2      TYR 118   6.320  -4.678   3.982
  907    HE2  TYR 118           HE1      TYR 118   8.353  -1.057   2.758
  908    HH   TYR 118           HH       TYR 118   6.765  -2.847   5.376
  909    H    TRP 119           H        TRP 119   3.557  -4.592   0.443
  910    HA   TRP 119           HA       TRP 119   3.671  -7.448   0.614
  911    HB2  TRP 119           HB2      TRP 119   2.532  -6.169   2.308
  912    HB3  TRP 119           HB3      TRP 119   1.464  -5.424   1.126
  913    HD1  TRP 119           HD1      TRP 119  -0.493  -6.840   0.135
  914    HE1  TRP 119           HE1      TRP 119  -1.683  -9.013   0.809
  915    HE3  TRP 119           HE3      TRP 119   2.797  -8.425   3.706
  916    HZ2  TRP 119           HZ2      TRP 119  -1.276 -11.132   2.779
  917    HZ3  TRP 119           HZ3      TRP 119   2.358 -10.497   4.991
  918    HH2  TRP 119           HH2      TRP 119   0.333 -11.861   4.531
  919    H    LEU 120           H        LEU 120   1.825  -5.214  -1.511
  920    HA   LEU 120           HA       LEU 120   0.448  -7.175  -3.015
  921    HB2  LEU 120           HB2      LEU 120  -0.050  -4.750  -3.012
  922    HB3  LEU 120           HB3      LEU 120   1.488  -4.430  -3.805
  923    HG   LEU 120           HG       LEU 120   0.710  -5.786  -5.789
  924   HD11  LEU 120          HD11      LEU 120  -1.028  -7.167  -4.683
  925   HD12  LEU 120          HD12      LEU 120  -1.960  -5.700  -4.305
  926   HD13  LEU 120          HD13      LEU 120  -1.731  -6.210  -5.991
  927   HD21  LEU 120          HD21      LEU 120  -0.841  -3.988  -6.570
  928   HD22  LEU 120          HD22      LEU 120  -0.921  -3.384  -4.894
  929   HD23  LEU 120          HD23      LEU 120   0.612  -3.354  -5.782
  930    H    ALA 121           H        ALA 121   3.669  -5.636  -3.577
  931    HA   ALA 121           HA       ALA 121   4.295  -7.075  -5.930
  932    HB1  ALA 121           HB1      ALA 121   6.590  -6.384  -5.523
  933    HB2  ALA 121           HB2      ALA 121   5.503  -5.043  -5.114
  934    HB3  ALA 121           HB3      ALA 121   6.236  -6.034  -3.825
  935    H    ARG 122           H        ARG 122   4.333  -8.137  -2.568
  936    HA   ARG 122           HA       ARG 122   6.095 -10.362  -2.881
  937    HB2  ARG 122           HB2      ARG 122   4.887  -9.146  -0.758
  938    HB3  ARG 122           HB3      ARG 122   3.834 -10.548  -0.912
  939    HG2  ARG 122           HG2      ARG 122   5.789 -12.057  -0.686
  940    HG3  ARG 122           HG3      ARG 122   6.882 -10.672  -0.744
  941    HD2  ARG 122           HD2      ARG 122   6.740 -11.147   1.539
  942    HD3  ARG 122           HD3      ARG 122   5.659  -9.772   1.341
  943    HE   ARG 122           HE       ARG 122   4.105 -12.101   1.039
  944   HH11  ARG 122          HH11      ARG 122   6.073 -10.531   3.580
  945   HH12  ARG 122          HH12      ARG 122   5.254 -11.344   4.885
  946   HH21  ARG 122          HH21      ARG 122   3.053 -13.190   2.823
  947   HH22  ARG 122          HH22      ARG 122   3.547 -12.857   4.442
  948    H    GLY 123           H        GLY 123   2.890  -9.869  -4.127
  949    HA2  GLY 123           HA2      GLY 123   1.559 -11.264  -5.372
  950    HA3  GLY 123           HA3      GLY 123   2.831 -12.501  -5.323
  951    H    TYR 124           H        TYR 124   0.768 -10.836  -2.880
  952    HA   TYR 124           HA       TYR 124   0.581 -13.000  -1.081
  953    HB2  TYR 124           HB2      TYR 124  -1.170 -11.719  -0.007
  954    HB3  TYR 124           HB3      TYR 124   0.161 -10.686  -0.470
  955    HD1  TYR 124           HD2      TYR 124  -3.255 -11.808  -1.708
  956    HD2  TYR 124           HD1      TYR 124  -0.323  -8.652  -1.536
  957    HE1  TYR 124           HE2      TYR 124  -4.861 -10.275  -2.738
  958    HE2  TYR 124           HE1      TYR 124  -1.992  -7.063  -2.443
  959    HH   TYR 124           HH       TYR 124  -4.195  -6.811  -3.303
  960    H    LYS 125           H        LYS 125  -1.505 -14.084  -0.416
  961    HA   LYS 125           HA       LYS 125  -2.652 -15.310  -2.880
  962    HB2  LYS 125           HB2      LYS 125  -2.420 -16.573  -0.135
  963    HB3  LYS 125           HB3      LYS 125  -2.763 -17.364  -1.667
  964    HG2  LYS 125           HG2      LYS 125  -0.119 -16.163  -0.766
  965    HG3  LYS 125           HG3      LYS 125  -0.507 -17.870  -0.959
  966    HD2  LYS 125           HD2      LYS 125  -0.715 -17.576  -3.412
  967    HD3  LYS 125           HD3      LYS 125  -0.391 -15.843  -3.233
  968    HE2  LYS 125           HE2      LYS 125   1.787 -16.577  -2.010
  969    HE3  LYS 125           HE3      LYS 125   1.497 -18.164  -2.736
  970    HZ1  LYS 125           HZ1      LYS 125   2.922 -16.817  -4.129
  971    HZ2  LYS 125           HZ2      LYS 125   1.508 -17.022  -4.919
  972    HZ3  LYS 125           HZ3      LYS 125   1.838 -15.591  -4.165
  973    H    PHE 126           H        PHE 126  -3.746 -13.589   0.063
  974    HA   PHE 126           HA       PHE 126  -6.247 -15.100   0.076
  975    HB2  PHE 126           HB2      PHE 126  -5.383 -12.664   1.651
  976    HB3  PHE 126           HB3      PHE 126  -6.907 -13.511   1.856
  977    HD1  PHE 126           HD1      PHE 126  -6.944 -15.929   2.532
  978    HD2  PHE 126           HD2      PHE 126  -3.291 -13.645   2.556
  979    HE1  PHE 126           HE1      PHE 126  -5.890 -17.636   3.968
  980    HE2  PHE 126           HE2      PHE 126  -2.204 -15.399   3.907
  981    HZ   PHE 126           HZ       PHE 126  -3.499 -17.409   4.635
  Start of MODEL   20
    1    H1   MET   1           H1       MET   1   7.999 -16.470  -2.856
    2    H2   MET   1           H2       MET   1   7.029 -16.319  -4.158
    3    H3   MET   1           H3       MET   1   8.354 -17.292  -4.226
    4    HA   MET   1           HA       MET   1   9.809 -15.388  -3.953
    5    HB2  MET   1           HB2      MET   1   7.847 -15.205  -6.288
    6    HB3  MET   1           HB3      MET   1   9.329 -14.260  -6.172
    7    HG2  MET   1           HG2      MET   1   9.179 -17.290  -6.300
    8    HG3  MET   1           HG3      MET   1   9.662 -16.194  -7.587
    9    HE1  MET   1           HE1      MET   1  11.367 -18.723  -6.735
   10    HE2  MET   1           HE2      MET   1  11.838 -17.598  -8.030
   11    HE3  MET   1           HE3      MET   1  13.008 -18.041  -6.767
   12    H    ALA   2           H        ALA   2   9.907 -12.945  -4.321
   13    HA   ALA   2           HA       ALA   2   7.599 -11.304  -3.961
   14    HB1  ALA   2           HB1      ALA   2   7.907 -11.825  -1.572
   15    HB2  ALA   2           HB2      ALA   2   9.639 -11.447  -1.670
   16    HB3  ALA   2           HB3      ALA   2   8.424 -10.166  -1.870
   17    H    SER   3           H        SER   3   8.314  -9.008  -4.168
   18    HA   SER   3           HA       SER   3  11.026  -8.703  -5.360
   19    HB2  SER   3           HB2      SER   3   8.651  -6.804  -5.436
   20    HB3  SER   3           HB3      SER   3  10.159  -6.664  -6.355
   21    HG   SER   3           HG       SER   3   8.464  -7.576  -7.596
   22    H    VAL   4           H        VAL   4  10.285  -8.926  -2.430
   23    HA   VAL   4           HA       VAL   4  11.914  -6.771  -1.378
   24    HB   VAL   4           HB       VAL   4   9.711  -5.708  -1.624
   25   HG11  VAL   4          HG11      VAL   4   7.778  -6.294  -0.283
   26   HG12  VAL   4          HG12      VAL   4   8.184  -7.591  -1.412
   27   HG13  VAL   4          HG13      VAL   4   8.565  -7.756   0.309
   28   HG21  VAL   4          HG21      VAL   4  11.187  -4.926   0.122
   29   HG22  VAL   4          HG22      VAL   4   9.488  -4.754   0.586
   30   HG23  VAL   4          HG23      VAL   4  10.467  -6.059   1.284
   31    H    GLU   5           H        GLU   5  12.660  -9.327  -1.549
   32    HA   GLU   5           HA       GLU   5  11.541 -11.222   0.125
   33    HB2  GLU   5           HB2      GLU   5  13.559 -12.514  -0.191
   34    HB3  GLU   5           HB3      GLU   5  13.099 -11.702  -1.686
   35    HG2  GLU   5           HG2      GLU   5  14.830  -9.947  -1.251
   36    HG3  GLU   5           HG3      GLU   5  15.301 -10.792   0.224
   37    H    ARG   6           H        ARG   6  13.562  -8.594   1.226
   38    HA   ARG   6           HA       ARG   6  14.317  -9.868   3.727
   39    HB2  ARG   6           HB2      ARG   6  15.206  -7.677   4.352
   40    HB3  ARG   6           HB3      ARG   6  15.768  -8.220   2.788
   41    HG2  ARG   6           HG2      ARG   6  15.398  -5.866   2.722
   42    HG3  ARG   6           HG3      ARG   6  14.237  -6.637   1.648
   43    HD2  ARG   6           HD2      ARG   6  12.426  -6.233   3.185
   44    HD3  ARG   6           HD3      ARG   6  13.527  -5.793   4.490
   45    HE   ARG   6           HE       ARG   6  12.881  -4.212   2.040
   46   HH11  ARG   6          HH11      ARG   6  14.480  -4.286   5.214
   47   HH12  ARG   6          HH12      ARG   6  14.687  -2.579   5.303
   48   HH21  ARG   6          HH21      ARG   6  13.172  -1.939   2.157
   49   HH22  ARG   6          HH22      ARG   6  13.944  -1.224   3.517
   50    H    ASP   7           H        ASP   7  11.289  -8.866   2.746
   51    HA   ASP   7           HA       ASP   7  10.420  -7.166   4.789
   52    HB2  ASP   7           HB2      ASP   7   9.384  -7.610   2.545
   53    HB3  ASP   7           HB3      ASP   7   8.727  -9.119   3.185
   54    H    GLU   8           H        GLU   8  11.331 -10.318   5.427
   55    HA   GLU   8           HA       GLU   8   9.165 -11.423   6.782
   56    HB2  GLU   8           HB2      GLU   8  12.142 -11.787   7.335
   57    HB3  GLU   8           HB3      GLU   8  10.862 -12.843   7.946
   58    HG2  GLU   8           HG2      GLU   8  10.201 -13.376   5.598
   59    HG3  GLU   8           HG3      GLU   8  11.554 -12.403   5.010
   60    H    THR   9           H        THR   9  11.366  -8.935   7.940
   61    HA   THR   9           HA       THR   9  10.833  -8.919  10.731
   62    HB   THR   9           HB       THR   9  11.225  -6.393  10.194
   63    HG1  THR   9           HG1      THR   9  11.996  -5.949   8.157
   64   HG21  THR   9          HG21      THR   9  13.052  -7.913  10.965
   65   HG22  THR   9          HG22      THR   9  13.338  -8.409   9.280
   66   HG23  THR   9          HG23      THR   9  13.644  -6.733   9.782
   67    H    ARG  10           H        ARG  10   9.111  -7.540   7.949
   68    HA   ARG  10           HA       ARG  10   7.085  -6.293   9.672
   69    HB2  ARG  10           HB2      ARG  10   7.028  -6.568   6.646
   70    HB3  ARG  10           HB3      ARG  10   6.041  -5.513   7.658
   71    HG2  ARG  10           HG2      ARG  10   8.266  -4.431   8.433
   72    HG3  ARG  10           HG3      ARG  10   9.022  -5.306   7.087
   73    HD2  ARG  10           HD2      ARG  10   7.311  -4.174   5.553
   74    HD3  ARG  10           HD3      ARG  10   6.809  -3.222   6.943
   75    HE   ARG  10           HE       ARG  10   8.775  -2.009   6.901
   76   HH11  ARG  10          HH11      ARG  10   8.966  -4.614   4.466
   77   HH12  ARG  10          HH12      ARG  10  10.308  -3.901   3.634
   78   HH21  ARG  10          HH21      ARG  10  10.573  -1.104   5.811
   79   HH22  ARG  10          HH22      ARG  10  11.242  -1.864   4.422
   80    H    GLU  11           H        GLU  11   7.385  -9.190   7.519
   81    HA   GLU  11           HA       GLU  11   4.696 -10.029   7.768
   82    HB2  GLU  11           HB2      GLU  11   7.190 -11.759   7.580
   83    HB3  GLU  11           HB3      GLU  11   5.534 -12.337   7.427
   84    HG2  GLU  11           HG2      GLU  11   5.183 -10.763   5.504
   85    HG3  GLU  11           HG3      GLU  11   6.896 -10.339   5.583
   86    H    HIS  12           H        HIS  12   7.453 -10.613  10.022
   87    HA   HIS  12           HA       HIS  12   5.990 -12.194  11.866
   88    HB2  HIS  12           HB2      HIS  12   8.435 -12.017  11.844
   89    HB3  HIS  12           HB3      HIS  12   8.347 -10.310  12.267
   90    HD1  HIS  12           HD1      HIS  12   6.268 -12.966  14.184
   91    HD2  HIS  12           HD2      HIS  12   9.684 -10.531  14.524
   92    HE1  HIS  12           HE1      HIS  12   7.002 -13.102  16.614
   93    H    ARG  13           H        ARG  13   6.401  -8.605  11.685
   94    HA   ARG  13           HA       ARG  13   4.791  -8.158  14.043
   95    HB2  ARG  13           HB2      ARG  13   5.703  -6.309  11.809
   96    HB3  ARG  13           HB3      ARG  13   4.823  -5.752  13.235
   97    HG2  ARG  13           HG2      ARG  13   7.464  -7.284  13.389
   98    HG3  ARG  13           HG3      ARG  13   7.361  -5.532  13.362
   99    HD2  ARG  13           HD2      ARG  13   6.409  -5.368  15.479
  100    HD3  ARG  13           HD3      ARG  13   5.716  -6.977  15.454
  101    HE   ARG  13           HE       ARG  13   8.511  -6.241  16.056
  102   HH11  ARG  13          HH11      ARG  13   6.046  -8.868  15.965
  103   HH12  ARG  13          HH12      ARG  13   7.214 -10.081  16.368
  104   HH21  ARG  13          HH21      ARG  13   9.908  -7.883  16.863
  105   HH22  ARG  13          HH22      ARG  13   9.336  -9.501  17.052
  106    H    ILE  14           H        ILE  14   3.958  -8.361  10.614
  107    HA   ILE  14           HA       ILE  14   1.216  -7.575  10.836
  108    HB   ILE  14           HB       ILE  14   2.837  -9.336   8.970
  109   HG12  ILE  14          HG12      ILE  14   1.352  -6.798   8.254
  110   HG13  ILE  14          HG13      ILE  14   2.924  -6.710   9.030
  111   HG21  ILE  14          HG21      ILE  14   0.654 -10.357   8.921
  112   HG22  ILE  14          HG22      ILE  14  -0.137  -8.775   8.687
  113   HG23  ILE  14          HG23      ILE  14   0.903  -9.475   7.427
  114   HD11  ILE  14          HD11      ILE  14   3.975  -7.935   7.190
  115   HD12  ILE  14          HD12      ILE  14   2.420  -8.153   6.390
  116   HD13  ILE  14          HD13      ILE  14   3.102  -6.527   6.583
  117    H    GLU  15           H        GLU  15   2.856 -10.793  11.074
  118    HA   GLU  15           HA       GLU  15   0.567 -12.291  11.647
  119    HB2  GLU  15           HB2      GLU  15   2.737 -13.223  10.956
  120    HB3  GLU  15           HB3      GLU  15   3.463 -12.719  12.478
  121    HG2  GLU  15           HG2      GLU  15   2.995 -15.082  12.548
  122    HG3  GLU  15           HG3      GLU  15   2.021 -14.227  13.737
  123    H    THR  16           H        THR  16   2.831 -10.668  13.922
  124    HA   THR  16           HA       THR  16   1.395 -11.715  16.206
  125    HB   THR  16           HB       THR  16   3.104 -10.298  17.485
  126    HG1  THR  16           HG1      THR  16   4.323 -10.166  14.922
  127   HG21  THR  16          HG21      THR  16   3.345 -12.712  17.098
  128   HG22  THR  16          HG22      THR  16   4.104 -12.405  15.522
  129   HG23  THR  16          HG23      THR  16   4.905 -11.884  17.028
  130    H    GLU  17           H        GLU  17   0.215  -9.430  14.274
  131    HA   GLU  17           HA       GLU  17  -1.238  -8.174  16.501
  132    HB2  GLU  17           HB2      GLU  17   0.739  -6.728  16.253
  133    HB3  GLU  17           HB3      GLU  17   0.375  -6.484  14.542
  134    HG2  GLU  17           HG2      GLU  17  -1.704  -5.330  15.094
  135    HG3  GLU  17           HG3      GLU  17  -1.514  -5.726  16.806
  136    H    ILE  18           H        ILE  18  -0.768  -7.769  12.924
  137    HA   ILE  18           HA       ILE  18  -3.416  -6.724  12.661
  138    HB   ILE  18           HB       ILE  18  -1.496  -7.672  10.500
  139   HG12  ILE  18          HG12      ILE  18  -1.844  -4.969  11.884
  140   HG13  ILE  18          HG13      ILE  18  -0.411  -5.996  11.907
  141   HG21  ILE  18          HG21      ILE  18  -3.795  -5.678  10.293
  142   HG22  ILE  18          HG22      ILE  18  -2.739  -6.237   8.974
  143   HG23  ILE  18          HG23      ILE  18  -3.873  -7.347   9.711
  144   HD11  ILE  18          HD11      ILE  18   0.065  -4.204  10.437
  145   HD12  ILE  18          HD12      ILE  18  -0.195  -5.631   9.414
  146   HD13  ILE  18          HD13      ILE  18  -1.461  -4.389   9.561
  147    H    ILE  19           H        ILE  19  -2.034  -9.978  11.992
  148    HA   ILE  19           HA       ILE  19  -4.799 -10.953  11.436
  149    HB   ILE  19           HB       ILE  19  -3.802 -12.388   9.751
  150   HG12  ILE  19          HG12      ILE  19  -1.270 -10.734  10.085
  151   HG13  ILE  19          HG13      ILE  19  -1.483 -12.318  10.845
  152   HG21  ILE  19          HG21      ILE  19  -3.665 -10.731   8.032
  153   HG22  ILE  19          HG22      ILE  19  -4.802 -10.108   9.228
  154   HG23  ILE  19          HG23      ILE  19  -3.145  -9.475   9.162
  155   HD11  ILE  19          HD11      ILE  19  -1.605 -11.741   7.886
  156   HD12  ILE  19          HD12      ILE  19  -0.319 -12.602   8.774
  157   HD13  ILE  19          HD13      ILE  19  -1.951 -13.311   8.665
  158    H    VAL  20           H        VAL  20  -3.103 -11.114  13.982
  159    HA   VAL  20           HA       VAL  20  -1.936 -13.510  14.392
  160    HB   VAL  20           HB       VAL  20  -2.012 -11.563  15.921
  161   HG11  VAL  20          HG11      VAL  20  -4.469 -11.208  16.031
  162   HG12  VAL  20          HG12      VAL  20  -4.640 -12.728  16.940
  163   HG13  VAL  20          HG13      VAL  20  -3.741 -11.364  17.635
  164   HG21  VAL  20          HG21      VAL  20  -1.024 -13.707  16.638
  165   HG22  VAL  20          HG22      VAL  20  -1.737 -12.817  17.994
  166   HG23  VAL  20          HG23      VAL  20  -2.596 -14.212  17.301
  167    H    ASP  21           H        ASP  21  -5.485 -13.114  14.494
  168    HA   ASP  21           HA       ASP  21  -5.754 -16.022  15.072
  169    HB2  ASP  21           HB2      ASP  21  -6.724 -14.446  16.707
  170    HB3  ASP  21           HB3      ASP  21  -7.740 -13.759  15.439
  171    H    ALA  22           H        ALA  22  -5.444 -14.204  12.489
  172    HA   ALA  22           HA       ALA  22  -7.913 -14.895  11.029
  173    HB1  ALA  22           HB1      ALA  22  -7.353 -13.036   9.582
  174    HB2  ALA  22           HB2      ALA  22  -7.555 -12.503  11.265
  175    HB3  ALA  22           HB3      ALA  22  -5.930 -12.667  10.551
  176    H    GLU  23           H        GLU  23  -7.781 -16.226   9.554
  177    HA   GLU  23           HA       GLU  23  -5.550 -16.529   7.700
  178    HB2  GLU  23           HB2      GLU  23  -4.805 -18.562   8.103
  179    HB3  GLU  23           HB3      GLU  23  -5.084 -17.967   9.738
  180    HG2  GLU  23           HG2      GLU  23  -6.951 -19.850   8.255
  181    HG3  GLU  23           HG3      GLU  23  -5.628 -20.384   9.279
  182    H    ASP  24           H        ASP  24  -8.824 -16.940   8.501
  183    HA   ASP  24           HA       ASP  24  -9.594 -18.303   6.018
  184    HB2  ASP  24           HB2      ASP  24 -11.247 -16.747   8.045
  185    HB3  ASP  24           HB3      ASP  24 -11.849 -17.710   6.709
  186    H    LYS  25           H        LYS  25 -10.147 -16.982   4.180
  187    HA   LYS  25           HA       LYS  25  -8.474 -14.724   4.006
  188    HB2  LYS  25           HB2      LYS  25  -9.007 -14.527   1.771
  189    HB3  LYS  25           HB3      LYS  25  -9.211 -16.232   2.117
  190    HG2  LYS  25           HG2      LYS  25 -11.782 -15.247   2.541
  191    HG3  LYS  25           HG3      LYS  25 -11.185 -14.132   1.333
  192    HD2  LYS  25           HD2      LYS  25 -12.301 -15.909   0.162
  193    HD3  LYS  25           HD3      LYS  25 -10.572 -16.164  -0.081
  194    HE2  LYS  25           HE2      LYS  25 -11.525 -18.307   0.417
  195    HE3  LYS  25           HE3      LYS  25 -10.599 -17.815   1.836
  196    HZ1  LYS  25           HZ1      LYS  25 -12.753 -18.724   2.444
  197    HZ2  LYS  25           HZ2      LYS  25 -12.730 -17.150   2.890
  198    HZ3  LYS  25           HZ3      LYS  25 -13.546 -17.625   1.547
  199    H    GLU  26           H        GLU  26 -11.888 -14.853   4.812
  200    HA   GLU  26           HA       GLU  26 -12.491 -12.085   4.364
  201    HB2  GLU  26           HB2      GLU  26 -13.765 -13.937   6.435
  202    HB3  GLU  26           HB3      GLU  26 -14.441 -12.479   5.722
  203    HG2  GLU  26           HG2      GLU  26 -15.559 -13.964   4.440
  204    HG3  GLU  26           HG3      GLU  26 -14.118 -13.875   3.438
  205    H    GLU  27           H        GLU  27 -11.125 -13.956   7.118
  206    HA   GLU  27           HA       GLU  27 -11.255 -11.787   9.018
  207    HB2  GLU  27           HB2      GLU  27  -9.410 -14.189   8.959
  208    HB3  GLU  27           HB3      GLU  27  -9.778 -13.169  10.352
  209    HG2  GLU  27           HG2      GLU  27 -12.060 -13.962  10.421
  210    HG3  GLU  27           HG3      GLU  27 -11.829 -14.902   8.938
  211    H    ARG  28           H        ARG  28  -8.666 -13.217   6.868
  212    HA   ARG  28           HA       ARG  28  -6.695 -11.364   7.879
  213    HB2  ARG  28           HB2      ARG  28  -6.770 -12.877   5.227
  214    HB3  ARG  28           HB3      ARG  28  -5.458 -11.783   5.722
  215    HG2  ARG  28           HG2      ARG  28  -5.255 -13.097   7.865
  216    HG3  ARG  28           HG3      ARG  28  -6.332 -14.308   7.153
  217    HD2  ARG  28           HD2      ARG  28  -4.704 -14.821   5.427
  218    HD3  ARG  28           HD3      ARG  28  -3.706 -13.417   5.874
  219    HE   ARG  28           HE       ARG  28  -3.942 -14.873   8.213
  220   HH11  ARG  28          HH11      ARG  28  -2.559 -15.629   4.981
  221   HH12  ARG  28          HH12      ARG  28  -1.525 -16.852   5.617
  222   HH21  ARG  28          HH21      ARG  28  -2.539 -16.409   8.994
  223   HH22  ARG  28          HH22      ARG  28  -1.480 -17.285   7.952
  224    H    ALA  29           H        ALA  29  -8.978 -11.053   5.118
  225    HA   ALA  29           HA       ALA  29  -8.048  -8.538   4.258
  226    HB1  ALA  29           HB1      ALA  29  -9.600 -10.022   3.016
  227    HB2  ALA  29           HB2      ALA  29 -10.872  -9.690   4.211
  228    HB3  ALA  29           HB3      ALA  29 -10.231  -8.380   3.187
  229    H    MET  30           H        MET  30 -10.594  -9.352   6.720
  230    HA   MET  30           HA       MET  30 -11.146  -6.614   7.333
  231    HB2  MET  30           HB2      MET  30 -11.655  -9.205   8.823
  232    HB3  MET  30           HB3      MET  30 -12.140  -7.629   9.451
  233    HG2  MET  30           HG2      MET  30 -13.044  -8.791   6.786
  234    HG3  MET  30           HG3      MET  30 -13.978  -8.739   8.275
  235    HE1  MET  30           HE1      MET  30 -13.292  -5.308   5.293
  236    HE2  MET  30           HE2      MET  30 -12.160  -6.658   5.520
  237    HE3  MET  30           HE3      MET  30 -13.779  -6.955   4.874
  238    H    GLY  31           H        GLY  31  -8.812  -8.897   8.835
  239    HA2  GLY  31           HA2      GLY  31  -8.047  -7.269  11.005
  240    HA3  GLY  31           HA3      GLY  31  -7.023  -8.470  10.184
  241    H    TRP  32           H        TRP  32  -6.649  -7.491   7.666
  242    HA   TRP  32           HA       TRP  32  -4.804  -5.359   7.971
  243    HB2  TRP  32           HB2      TRP  32  -6.137  -6.695   5.616
  244    HB3  TRP  32           HB3      TRP  32  -5.261  -5.192   5.377
  245    HD1  TRP  32           HD1      TRP  32  -4.624  -8.839   6.233
  246    HE1  TRP  32           HE1      TRP  32  -2.144  -9.341   5.875
  247    HE3  TRP  32           HE3      TRP  32  -2.930  -4.078   5.618
  248    HZ2  TRP  32           HZ2      TRP  32   0.326  -7.815   5.822
  249    HZ3  TRP  32           HZ3      TRP  32  -0.493  -3.608   5.476
  250    HH2  TRP  32           HH2      TRP  32   1.142  -5.469   5.575
  251    H    TYR  33           H        TYR  33  -8.201  -5.322   6.754
  252    HA   TYR  33           HA       TYR  33  -8.304  -2.615   6.041
  253    HB2  TYR  33           HB2      TYR  33  -9.997  -4.091   5.300
  254    HB3  TYR  33           HB3      TYR  33 -10.338  -4.658   6.919
  255    HD1  TYR  33           HD2      TYR  33 -10.366  -1.322   5.150
  256    HD2  TYR  33           HD1      TYR  33 -12.391  -4.084   7.756
  257    HE1  TYR  33           HE2      TYR  33 -12.249   0.256   5.343
  258    HE2  TYR  33           HE1      TYR  33 -14.268  -2.494   7.998
  259    HH   TYR  33           HH       TYR  33 -14.355   0.659   6.266
  260    H    TYR  34           H        TYR  34  -9.022  -4.097   9.274
  261    HA   TYR  34           HA       TYR  34  -9.995  -1.681  10.422
  262    HB2  TYR  34           HB2      TYR  34  -8.713  -4.107  11.737
  263    HB3  TYR  34           HB3      TYR  34  -9.611  -2.852  12.573
  264    HD1  TYR  34           HD1      TYR  34 -11.725  -3.008   9.899
  265    HD2  TYR  34           HD2      TYR  34 -10.230  -5.620  13.003
  266    HE1  TYR  34           HE1      TYR  34 -13.799  -4.339   9.786
  267    HE2  TYR  34           HE2      TYR  34 -12.296  -6.968  12.870
  268    HH   TYR  34           HH       TYR  34 -14.380  -7.219  11.853
  269    H    TYR  35           H        TYR  35  -6.697  -3.216  10.611
  270    HA   TYR  35           HA       TYR  35  -5.691  -1.042  12.246
  271    HB2  TYR  35           HB2      TYR  35  -4.379  -3.312  10.708
  272    HB3  TYR  35           HB3      TYR  35  -3.422  -2.048  11.460
  273    HD1  TYR  35           HD2      TYR  35  -3.421  -1.681  13.908
  274    HD2  TYR  35           HD1      TYR  35  -5.471  -5.007  12.110
  275    HE1  TYR  35           HE2      TYR  35  -3.532  -2.792  16.120
  276    HE2  TYR  35           HE1      TYR  35  -5.584  -6.148  14.313
  277    HH   TYR  35           HH       TYR  35  -4.256  -4.662  17.311
  278    H    LEU  36           H        LEU  36  -5.778  -1.618   8.699
  279    HA   LEU  36           HA       LEU  36  -4.022   0.568   8.101
  280    HB2  LEU  36           HB2      LEU  36  -5.881  -1.153   6.500
  281    HB3  LEU  36           HB3      LEU  36  -5.587   0.459   5.888
  282    HG   LEU  36           HG       LEU  36  -3.236   0.187   5.792
  283   HD11  LEU  36          HD11      LEU  36  -2.675  -1.127   7.748
  284   HD12  LEU  36          HD12      LEU  36  -3.571  -2.522   7.128
  285   HD13  LEU  36          HD13      LEU  36  -2.082  -1.959   6.321
  286   HD21  LEU  36          HD21      LEU  36  -4.556  -2.344   4.709
  287   HD22  LEU  36          HD22      LEU  36  -4.645  -0.747   3.949
  288   HD23  LEU  36          HD23      LEU  36  -3.081  -1.566   4.089
  289    H    ASP  37           H        ASP  37  -7.707   0.402   8.250
  290    HA   ASP  37           HA       ASP  37  -7.916   3.210   7.769
  291    HB2  ASP  37           HB2      ASP  37 -10.030   1.897   7.983
  292    HB3  ASP  37           HB3      ASP  37  -9.672   1.570   9.675
  293    H    ASP  38           H        ASP  38  -7.384   1.383  10.894
  294    HA   ASP  38           HA       ASP  38  -7.783   3.816  12.061
  295    HB2  ASP  38           HB2      ASP  38  -7.988   1.732  13.349
  296    HB3  ASP  38           HB3      ASP  38  -6.237   1.831  13.644
  297    H    THR  39           H        THR  39  -4.925   2.646  10.625
  298    HA   THR  39           HA       THR  39  -3.034   4.450  11.940
  299    HB   THR  39           HB       THR  39  -2.928   2.789   9.376
  300    HG1  THR  39           HG1      THR  39  -3.117   1.455  11.076
  301   HG21  THR  39          HG21      THR  39  -0.782   4.307  10.892
  302   HG22  THR  39          HG22      THR  39  -0.422   3.021   9.714
  303   HG23  THR  39          HG23      THR  39  -1.290   4.488   9.213
  304    H    LEU  40           H        LEU  40  -4.975   4.404   8.917
  305    HA   LEU  40           HA       LEU  40  -3.808   6.787   7.814
  306    HB2  LEU  40           HB2      LEU  40  -6.387   5.284   7.247
  307    HB3  LEU  40           HB3      LEU  40  -5.729   6.545   6.208
  308    HG   LEU  40           HG       LEU  40  -4.160   4.002   6.830
  309   HD11  LEU  40          HD11      LEU  40  -4.987   2.956   4.836
  310   HD12  LEU  40          HD12      LEU  40  -6.398   3.419   5.791
  311   HD13  LEU  40          HD13      LEU  40  -5.912   4.395   4.382
  312   HD21  LEU  40          HD21      LEU  40  -2.785   5.689   5.853
  313   HD22  LEU  40          HD22      LEU  40  -3.098   4.445   4.649
  314   HD23  LEU  40          HD23      LEU  40  -3.966   5.988   4.549
  315    H    GLU  41           H        GLU  41  -4.466   8.873   8.080
  316    HA   GLU  41           HA       GLU  41  -6.889   9.434   9.734
  317    HB2  GLU  41           HB2      GLU  41  -4.180  10.795   9.666
  318    HB3  GLU  41           HB3      GLU  41  -5.611  11.503  10.425
  319    HG2  GLU  41           HG2      GLU  41  -4.444   8.789  11.183
  320    HG3  GLU  41           HG3      GLU  41  -4.093  10.297  12.013
  321    H    PHE  42           H        PHE  42  -7.818   9.079   7.600
  322    HA   PHE  42           HA       PHE  42  -7.716  10.866   5.443
  323    HB2  PHE  42           HB2      PHE  42 -10.071   9.361   6.654
  324    HB3  PHE  42           HB3      PHE  42 -10.054  10.067   5.059
  325    HD1  PHE  42           HD2      PHE  42  -8.632   9.137   3.235
  326    HD2  PHE  42           HD1      PHE  42  -9.022   7.178   7.073
  327    HE1  PHE  42           HE2      PHE  42  -7.997   6.961   2.216
  328    HE2  PHE  42           HE1      PHE  42  -8.417   5.032   6.031
  329    HZ   PHE  42           HZ       PHE  42  -7.935   4.913   3.587
  330    HA   PRO  43           HA       PRO  43  -9.401  11.802   3.985
  331    HB2  PRO  43           HB2      PRO  43  -9.769  14.262   2.899
  332    HB3  PRO  43           HB3      PRO  43 -11.123  13.278   3.532
  333    HG2  PRO  43           HG2      PRO  43  -9.645  15.528   4.931
  334    HG3  PRO  43           HG3      PRO  43 -11.415  15.282   4.797
  335    HD2  PRO  43           HD2      PRO  43  -9.978  14.502   7.000
  336    HD3  PRO  43           HD3      PRO  43 -11.392  13.575   6.420
  337    H    PHE  44           H        PHE  44  -7.716  12.207   2.423
  338    HA   PHE  44           HA       PHE  44  -5.639  14.157   3.067
  339    HB2  PHE  44           HB2      PHE  44  -3.798  12.627   3.047
  340    HB3  PHE  44           HB3      PHE  44  -4.864  12.232   4.376
  341    HD1  PHE  44           HD2      PHE  44  -3.678  11.171   1.031
  342    HD2  PHE  44           HD1      PHE  44  -5.796   9.979   4.576
  343    HE1  PHE  44           HE2      PHE  44  -3.584   8.835   0.267
  344    HE2  PHE  44           HE1      PHE  44  -5.675   7.618   3.835
  345    HZ   PHE  44           HZ       PHE  44  -4.605   7.031   1.671
  346    H    MET  45           H        MET  45  -4.019  14.254   1.189
  347    HA   MET  45           HA       MET  45  -5.530  13.907  -1.345
  348    HB2  MET  45           HB2      MET  45  -4.582  16.130  -0.705
  349    HB3  MET  45           HB3      MET  45  -2.968  15.408  -0.607
  350    HG2  MET  45           HG2      MET  45  -3.142  14.828  -3.041
  351    HG3  MET  45           HG3      MET  45  -4.686  15.684  -3.097
  352    HE1  MET  45           HE1      MET  45  -2.069  17.846  -5.090
  353    HE2  MET  45           HE2      MET  45  -2.262  16.077  -4.962
  354    HE3  MET  45           HE3      MET  45  -3.692  17.117  -5.130
  355    H    GLY  46           H        GLY  46  -4.623  12.630  -3.114
  356    HA2  GLY  46           HA2      GLY  46  -1.923  11.564  -2.766
  357    HA3  GLY  46           HA3      GLY  46  -3.209  10.349  -2.784
  358    H    LYS  47           H        LYS  47  -1.356  10.165  -4.646
  359    HA   LYS  47           HA       LYS  47  -2.655  11.140  -7.148
  360    HB2  LYS  47           HB2      LYS  47  -0.043  11.413  -6.762
  361    HB3  LYS  47           HB3      LYS  47   0.016   9.679  -6.984
  362    HG2  LYS  47           HG2      LYS  47   0.453  10.566  -9.133
  363    HG3  LYS  47           HG3      LYS  47  -1.232  10.049  -9.198
  364    HD2  LYS  47           HD2      LYS  47  -1.206  12.172 -10.268
  365    HD3  LYS  47           HD3      LYS  47  -1.874  12.463  -8.676
  366    HE2  LYS  47           HE2      LYS  47  -0.439  14.211  -8.721
  367    HE3  LYS  47           HE3      LYS  47   0.643  13.002  -8.020
  368    HZ1  LYS  47           HZ1      LYS  47   1.805  14.040  -9.776
  369    HZ2  LYS  47           HZ2      LYS  47   1.363  12.593 -10.428
  370    HZ3  LYS  47           HZ3      LYS  47   0.550  13.955 -10.811
  371    H    TRP  48           H        TRP  48  -3.917   9.661  -8.145
  372    HA   TRP  48           HA       TRP  48  -3.890   6.820  -7.272
  373    HB2  TRP  48           HB2      TRP  48  -6.071   8.007  -7.559
  374    HB3  TRP  48           HB3      TRP  48  -5.669   8.344  -9.229
  375    HD1  TRP  48           HD1      TRP  48  -4.623   4.872  -8.602
  376    HE1  TRP  48           HE1      TRP  48  -6.346   3.196  -9.367
  377    HE3  TRP  48           HE3      TRP  48  -8.604   8.045  -9.122
  378    HZ2  TRP  48           HZ2      TRP  48  -9.159   3.209 -10.162
  379    HZ3  TRP  48           HZ3      TRP  48 -10.822   7.165  -9.801
  380    HH2  TRP  48           HH2      TRP  48 -11.103   4.752 -10.335
  381    H    LYS  49           H        LYS  49  -2.173   5.786  -8.246
  382    HA   LYS  49           HA       LYS  49  -1.239   6.628 -10.947
  383    HB2  LYS  49           HB2      LYS  49   0.129   5.306  -8.570
  384    HB3  LYS  49           HB3      LYS  49   0.845   5.377 -10.187
  385    HG2  LYS  49           HG2      LYS  49   0.857   7.800 -10.179
  386    HG3  LYS  49           HG3      LYS  49  -0.071   7.857  -8.679
  387    HD2  LYS  49           HD2      LYS  49   2.283   8.389  -8.311
  388    HD3  LYS  49           HD3      LYS  49   1.774   6.957  -7.404
  389    HE2  LYS  49           HE2      LYS  49   2.875   5.474  -8.970
  390    HE3  LYS  49           HE3      LYS  49   3.232   6.811 -10.077
  391    HZ1  LYS  49           HZ1      LYS  49   5.124   6.128  -8.644
  392    HZ2  LYS  49           HZ2      LYS  49   4.752   7.707  -8.487
  393    HZ3  LYS  49           HZ3      LYS  49   4.313   6.655  -7.314
  394    H    LYS  50           H        LYS  50  -3.249   5.512 -11.536
  395    HA   LYS  50           HA       LYS  50  -3.780   2.799 -10.938
  396    HB2  LYS  50           HB2      LYS  50  -5.389   4.483 -11.875
  397    HB3  LYS  50           HB3      LYS  50  -4.637   4.273 -13.465
  398    HG2  LYS  50           HG2      LYS  50  -5.343   1.960 -13.578
  399    HG3  LYS  50           HG3      LYS  50  -5.733   1.925 -11.859
  400    HD2  LYS  50           HD2      LYS  50  -7.802   2.002 -13.108
  401    HD3  LYS  50           HD3      LYS  50  -7.586   3.475 -12.180
  402    HE2  LYS  50           HE2      LYS  50  -8.441   4.203 -14.223
  403    HE3  LYS  50           HE3      LYS  50  -6.724   4.602 -14.296
  404    HZ1  LYS  50           HZ1      LYS  50  -8.023   2.261 -15.580
  405    HZ2  LYS  50           HZ2      LYS  50  -7.492   3.596 -16.349
  406    HZ3  LYS  50           HZ3      LYS  50  -6.416   2.570 -15.658
  407    H    LYS  51           H        LYS  51  -2.829   0.920 -11.537
  408    HA   LYS  51           HA       LYS  51  -0.488   1.031 -13.063
  409    HB2  LYS  51           HB2      LYS  51  -0.886  -0.439 -11.145
  410    HB3  LYS  51           HB3      LYS  51  -2.135  -1.310 -12.029
  411    HG2  LYS  51           HG2      LYS  51  -0.031  -2.568 -11.817
  412    HG3  LYS  51           HG3      LYS  51  -0.520  -2.330 -13.487
  413    HD2  LYS  51           HD2      LYS  51   1.164  -0.494 -13.711
  414    HD3  LYS  51           HD3      LYS  51   1.660  -0.757 -12.028
  415    HE2  LYS  51           HE2      LYS  51   2.528  -2.920 -12.510
  416    HE3  LYS  51           HE3      LYS  51   1.620  -3.043 -14.022
  417    HZ1  LYS  51           HZ1      LYS  51   3.970  -2.596 -14.401
  418    HZ2  LYS  51           HZ2      LYS  51   3.026  -1.410 -15.013
  419    HZ3  LYS  51           HZ3      LYS  51   3.873  -1.170 -13.615
  420    H    SER  52           H        SER  52  -3.693   0.657 -14.369
  421    HA   SER  52           HA       SER  52  -2.473  -0.227 -16.918
  422    HB2  SER  52           HB2      SER  52  -4.922  -1.553 -15.685
  423    HB3  SER  52           HB3      SER  52  -4.140  -1.973 -17.218
  424    HG   SER  52           HG       SER  52  -3.557  -3.379 -15.498
  425    H    ARG  53           H        ARG  53  -3.759   0.159 -18.733
  426    HA   ARG  53           HA       ARG  53  -6.373   1.475 -18.470
  427    HB2  ARG  53           HB2      ARG  53  -4.831   3.389 -18.373
  428    HB3  ARG  53           HB3      ARG  53  -4.044   2.877 -19.874
  429    HG2  ARG  53           HG2      ARG  53  -6.158   3.252 -21.115
  430    HG3  ARG  53           HG3      ARG  53  -6.974   3.700 -19.601
  431    HD2  ARG  53           HD2      ARG  53  -5.422   5.615 -19.335
  432    HD3  ARG  53           HD3      ARG  53  -4.593   5.153 -20.837
  433    HE   ARG  53           HE       ARG  53  -7.362   5.451 -21.376
  434   HH11  ARG  53          HH21      ARG  53  -4.545   7.490 -20.544
  435   HH12  ARG  53          HH22      ARG  53  -5.179   8.888 -21.346
  436   HH21  ARG  53          HH11      ARG  53  -8.173   7.321 -22.429
  437   HH22  ARG  53          HH12      ARG  53  -7.274   8.789 -22.431
  438    H    LYS  54           H        LYS  54  -3.718   0.447 -20.608
  439    HA   LYS  54           HA       LYS  54  -5.553  -1.373 -22.019
  440    HB2  LYS  54           HB2      LYS  54  -5.475   0.613 -23.500
  441    HB3  LYS  54           HB3      LYS  54  -3.707   0.592 -23.475
  442    HG2  LYS  54           HG2      LYS  54  -3.717  -1.643 -24.574
  443    HG3  LYS  54           HG3      LYS  54  -5.483  -1.669 -24.509
  444    HD2  LYS  54           HD2      LYS  54  -4.793  -1.091 -26.741
  445    HD3  LYS  54           HD3      LYS  54  -5.565   0.320 -26.002
  446    HE2  LYS  54           HE2      LYS  54  -3.326   1.291 -25.516
  447    HE3  LYS  54           HE3      LYS  54  -2.549  -0.142 -26.202
  448    HZ1  LYS  54           HZ1      LYS  54  -3.534   0.430 -28.344
  449    HZ2  LYS  54           HZ2      LYS  54  -4.258   1.753 -27.710
  450    HZ3  LYS  54           HZ3      LYS  54  -2.634   1.669 -27.792
  451    H    THR  55           H        THR  55  -2.174  -0.089 -22.102
  452    HA   THR  55           HA       THR  55  -0.984  -2.710 -21.643
  453    HB   THR  55           HB       THR  55   1.051  -0.990 -21.399
  454    HG1  THR  55           HG1      THR  55   0.034   0.957 -21.383
  455   HG21  THR  55          HG21      THR  55  -0.426  -1.423 -24.037
  456   HG22  THR  55          HG22      THR  55   1.279  -0.946 -23.859
  457   HG23  THR  55          HG23      THR  55   0.744  -2.535 -23.295
  458    H    SER  56           H        SER  56   0.481  -2.946 -19.695
  459    HA   SER  56           HA       SER  56  -0.771  -2.145 -17.195
  460    HB2  SER  56           HB2      SER  56   1.862  -3.590 -17.685
  461    HB3  SER  56           HB3      SER  56   0.884  -3.594 -16.206
  462    HG   SER  56           HG       SER  56   0.583  -5.488 -17.479
  463    H    THR  57           H        THR  57   0.063   0.122 -18.724
  464    HA   THR  57           HA       THR  57   2.567   1.166 -17.603
  465    HB   THR  57           HB       THR  57   1.650   3.175 -19.067
  466    HG1  THR  57           HG1      THR  57  -0.403   2.427 -19.495
  467   HG21  THR  57          HG21      THR  57   2.532   0.534 -20.321
  468   HG22  THR  57          HG22      THR  57   2.564   2.122 -21.120
  469   HG23  THR  57          HG23      THR  57   3.592   1.820 -19.709
  470    H    ILE  58           H        ILE  58   2.615   2.731 -16.008
  471    HA   ILE  58           HA       ILE  58   0.344   3.235 -14.299
  472    HB   ILE  58           HB       ILE  58   2.936   4.778 -14.654
  473   HG12  ILE  58          HG12      ILE  58   3.363   2.438 -13.942
  474   HG13  ILE  58          HG13      ILE  58   3.856   3.642 -12.768
  475   HG21  ILE  58          HG21      ILE  58   0.804   4.934 -12.493
  476   HG22  ILE  58          HG22      ILE  58   2.440   5.616 -12.314
  477   HG23  ILE  58          HG23      ILE  58   1.362   6.228 -13.568
  478   HD11  ILE  58          HD11      ILE  58   2.817   1.671 -11.712
  479   HD12  ILE  58          HD12      ILE  58   1.903   3.143 -11.357
  480   HD13  ILE  58          HD13      ILE  58   1.308   1.996 -12.576
  481    H    GLU  59           H        GLU  59  -1.276   4.655 -14.598
  482    HA   GLU  59           HA       GLU  59  -0.908   7.045 -16.332
  483    HB2  GLU  59           HB2      GLU  59  -3.250   5.092 -16.131
  484    HB3  GLU  59           HB3      GLU  59  -3.470   6.753 -16.676
  485    HG2  GLU  59           HG2      GLU  59  -1.484   4.874 -18.033
  486    HG3  GLU  59           HG3      GLU  59  -3.179   4.936 -18.467
  487    H    GLU  60           H        GLU  60  -1.419   8.885 -15.066
  488    HA   GLU  60           HA       GLU  60  -2.301   8.231 -12.321
  489    HB2  GLU  60           HB2      GLU  60  -0.685   9.639 -11.387
  490    HB3  GLU  60           HB3      GLU  60   0.086   8.455 -12.444
  491    HG2  GLU  60           HG2      GLU  60   0.134  10.208 -14.247
  492    HG3  GLU  60           HG3      GLU  60  -0.477  11.368 -13.061
  493    H    LYS  61           H        LYS  61  -3.565   9.531 -11.156
  494    HA   LYS  61           HA       LYS  61  -4.537  12.094 -12.370
  495    HB2  LYS  61           HB2      LYS  61  -6.176   9.834 -11.121
  496    HB3  LYS  61           HB3      LYS  61  -6.805  11.448 -11.468
  497    HG2  LYS  61           HG2      LYS  61  -6.326  11.135 -13.879
  498    HG3  LYS  61           HG3      LYS  61  -5.744   9.495 -13.563
  499    HD2  LYS  61           HD2      LYS  61  -8.566  10.487 -12.970
  500    HD3  LYS  61           HD3      LYS  61  -8.081   9.585 -14.416
  501    HE2  LYS  61           HE2      LYS  61  -7.331   7.688 -12.972
  502    HE3  LYS  61           HE3      LYS  61  -7.884   8.569 -11.543
  503    HZ1  LYS  61           HZ1      LYS  61 -10.139   8.505 -12.470
  504    HZ2  LYS  61           HZ2      LYS  61  -9.620   7.657 -13.767
  505    HZ3  LYS  61           HZ3      LYS  61  -9.545   6.997 -12.274
  506    H    THR  62           H        THR  62  -5.149  13.633 -10.714
  507    HA   THR  62           HA       THR  62  -3.857  13.064  -8.087
  508    HB   THR  62           HB       THR  62  -4.673  15.739  -9.292
  509    HG1  THR  62           HG1      THR  62  -3.098  14.885 -10.610
  510   HG21  THR  62          HG21      THR  62  -3.026  16.617  -7.679
  511   HG22  THR  62          HG22      THR  62  -4.315  15.729  -6.849
  512   HG23  THR  62          HG23      THR  62  -2.722  14.970  -7.071
  513    H    VAL  63           H        VAL  63  -5.138  12.800  -6.288
  514    HA   VAL  63           HA       VAL  63  -8.024  13.411  -6.573
  515    HB   VAL  63           HB       VAL  63  -8.532  11.169  -5.721
  516   HG11  VAL  63          HG11      VAL  63  -8.582  11.581  -8.176
  517   HG12  VAL  63          HG12      VAL  63  -6.919  10.972  -8.301
  518   HG13  VAL  63          HG13      VAL  63  -8.227   9.905  -7.756
  519   HG21  VAL  63          HG21      VAL  63  -5.626  10.419  -6.249
  520   HG22  VAL  63          HG22      VAL  63  -6.347  10.614  -4.639
  521   HG23  VAL  63          HG23      VAL  63  -6.941   9.352  -5.719
  522    H    GLU  64           H        GLU  64  -9.172  13.455  -4.690
  523    HA   GLU  64           HA       GLU  64  -7.648  13.846  -2.150
  524    HB2  GLU  64           HB2      GLU  64  -9.112  15.738  -2.873
  525    HB3  GLU  64           HB3      GLU  64 -10.501  14.645  -2.915
  526    HG2  GLU  64           HG2      GLU  64 -10.298  14.225  -0.502
  527    HG3  GLU  64           HG3      GLU  64  -8.791  15.138  -0.434
  528    H    VAL  65           H        VAL  65  -7.957  12.241  -0.619
  529    HA   VAL  65           HA       VAL  65  -9.538   9.876  -1.452
  530    HB   VAL  65           HB       VAL  65  -7.244   9.935   0.541
  531   HG11  VAL  65          HG11      VAL  65  -7.102   7.571   0.027
  532   HG12  VAL  65          HG12      VAL  65  -8.799   7.952   0.395
  533   HG13  VAL  65          HG13      VAL  65  -8.290   7.726  -1.281
  534   HG21  VAL  65          HG21      VAL  65  -5.745   9.141  -1.297
  535   HG22  VAL  65          HG22      VAL  65  -6.996   9.571  -2.480
  536   HG23  VAL  65          HG23      VAL  65  -6.223  10.825  -1.489
  537    H    LEU  66           H        LEU  66 -11.429   9.743  -0.415
  538    HA   LEU  66           HA       LEU  66 -11.961  11.486   1.846
  539    HB2  LEU  66           HB2      LEU  66 -13.722   9.428   0.430
  540    HB3  LEU  66           HB3      LEU  66 -14.262  10.534   1.672
  541    HG   LEU  66           HG       LEU  66 -15.027  11.432  -0.317
  542   HD11  LEU  66          HD11      LEU  66 -14.004  13.108   1.214
  543   HD12  LEU  66          HD12      LEU  66 -12.506  13.043   0.254
  544   HD13  LEU  66          HD13      LEU  66 -14.011  13.620  -0.482
  545   HD21  LEU  66          HD21      LEU  66 -13.798  11.872  -2.318
  546   HD22  LEU  66          HD22      LEU  66 -12.272  11.359  -1.595
  547   HD23  LEU  66          HD23      LEU  66 -13.570  10.173  -1.887
  548    H    GLY  67           H        GLY  67 -11.451   7.964   1.461
  549    HA2  GLY  67           HA2      GLY  67 -11.023   7.324   4.151
  550    HA3  GLY  67           HA3      GLY  67 -12.758   7.187   3.844
  551    H    MET  68           H        MET  68 -11.478   4.906   4.435
  552    HA   MET  68           HA       MET  68 -10.753   3.392   2.041
  553    HB2  MET  68           HB2      MET  68 -11.620   2.436   4.787
  554    HB3  MET  68           HB3      MET  68 -11.113   1.393   3.441
  555    HG2  MET  68           HG2      MET  68  -8.936   2.711   3.369
  556    HG3  MET  68           HG3      MET  68  -9.462   3.483   4.865
  557    HE1  MET  68           HE1      MET  68  -9.254  -0.224   3.387
  558    HE2  MET  68           HE2      MET  68  -7.645   0.527   3.240
  559    HE3  MET  68           HE3      MET  68  -7.902  -0.812   4.382
  560    H    ALA  69           H        ALA  69 -12.105   1.802   1.053
  561    HA   ALA  69           HA       ALA  69 -14.845   2.562   0.585
  562    HB1  ALA  69           HB1      ALA  69 -13.392   1.335  -1.035
  563    HB2  ALA  69           HB2      ALA  69 -13.417  -0.077   0.054
  564    HB3  ALA  69           HB3      ALA  69 -14.906   0.485  -0.723
  565    HA   PRO  70           HA       PRO  70 -17.097   0.447   3.837
  566    HB2  PRO  70           HB2      PRO  70 -18.343  -1.280   1.686
  567    HB3  PRO  70           HB3      PRO  70 -19.139  -0.452   3.062
  568    HG2  PRO  70           HG2      PRO  70 -19.260   0.628   0.584
  569    HG3  PRO  70           HG3      PRO  70 -18.919   1.682   1.996
  570    HD2  PRO  70           HD2      PRO  70 -16.976   0.530  -0.007
  571    HD3  PRO  70           HD3      PRO  70 -17.045   2.185   0.671
  572    H    ASP  71           H        ASP  71 -17.104  -1.539   5.064
  573    HA   ASP  71           HA       ASP  71 -14.852  -3.154   4.851
  574    HB2  ASP  71           HB2      ASP  71 -15.682  -4.418   6.610
  575    HB3  ASP  71           HB3      ASP  71 -16.386  -2.828   6.873
  576    H    ASP  72           H        ASP  72 -18.094  -3.702   3.458
  577    HA   ASP  72           HA       ASP  72 -17.680  -6.399   2.668
  578    HB2  ASP  72           HB2      ASP  72 -19.890  -5.313   2.792
  579    HB3  ASP  72           HB3      ASP  72 -19.458  -4.256   1.445
  580    H    GLU  73           H        GLU  73 -16.567  -3.390   1.236
  581    HA   GLU  73           HA       GLU  73 -15.811  -4.659  -1.334
  582    HB2  GLU  73           HB2      GLU  73 -15.227  -1.889  -0.195
  583    HB3  GLU  73           HB3      GLU  73 -14.787  -2.441  -1.801
  584    HG2  GLU  73           HG2      GLU  73 -17.609  -2.051  -0.723
  585    HG3  GLU  73           HG3      GLU  73 -16.769  -1.020  -1.872
  586    H    CYS  74           H        CYS  74 -14.536  -4.049   1.891
  587    HA   CYS  74           HA       CYS  74 -11.743  -4.156   0.959
  588    HB2  CYS  74           HB2      CYS  74 -12.901  -3.542   3.702
  589    HB3  CYS  74           HB3      CYS  74 -11.174  -3.585   3.293
  590    HG   CYS  74           HG       CYS  74 -13.597  -1.670   2.159
  591    H    LEU  75           H        LEU  75 -13.987  -6.318   1.375
  592    HA   LEU  75           HA       LEU  75 -12.888  -8.206   3.219
  593    HB2  LEU  75           HB2      LEU  75 -15.351  -7.602   2.490
  594    HB3  LEU  75           HB3      LEU  75 -15.020  -8.598   1.078
  595    HG   LEU  75           HG       LEU  75 -14.566 -10.505   2.614
  596   HD11  LEU  75          HD11      LEU  75 -15.401 -10.278   5.003
  597   HD12  LEU  75          HD12      LEU  75 -13.905  -9.403   4.676
  598   HD13  LEU  75          HD13      LEU  75 -15.445  -8.517   4.747
  599   HD21  LEU  75          HD21      LEU  75 -16.781 -10.149   1.592
  600   HD22  LEU  75          HD22      LEU  75 -16.950 -10.862   3.206
  601   HD23  LEU  75          HD23      LEU  75 -17.257  -9.124   2.960
  602    H    LYS  76           H        LYS  76 -12.094  -7.405   0.023
  603    HA   LYS  76           HA       LYS  76 -10.931 -10.106  -0.511
  604    HB2  LYS  76           HB2      LYS  76 -12.301  -8.239  -2.493
  605    HB3  LYS  76           HB3      LYS  76 -11.428  -9.718  -2.911
  606    HG2  LYS  76           HG2      LYS  76 -13.027 -11.052  -1.550
  607    HG3  LYS  76           HG3      LYS  76 -13.941  -9.574  -1.185
  608    HD2  LYS  76           HD2      LYS  76 -14.326  -9.212  -3.611
  609    HD3  LYS  76           HD3      LYS  76 -13.477 -10.715  -3.982
  610    HE2  LYS  76           HE2      LYS  76 -15.992 -10.491  -2.257
  611    HE3  LYS  76           HE3      LYS  76 -15.990 -10.882  -3.977
  612    HZ1  LYS  76           HZ1      LYS  76 -14.732 -12.539  -1.869
  613    HZ2  LYS  76           HZ2      LYS  76 -16.117 -12.874  -2.656
  614    HZ3  LYS  76           HZ3      LYS  76 -14.710 -12.877  -3.472
  615    H    ASP  77           H        ASP  77 -10.599  -6.547  -0.814
  616    HA   ASP  77           HA       ASP  77  -7.728  -6.761  -0.926
  617    HB2  ASP  77           HB2      ASP  77  -8.363  -7.157  -3.342
  618    HB3  ASP  77           HB3      ASP  77  -9.180  -5.596  -3.337
  619    H    MET  78           H        MET  78  -6.851  -4.365  -0.950
  620    HA   MET  78           HA       MET  78  -8.663  -2.814   0.821
  621    HB2  MET  78           HB2      MET  78  -5.769  -2.357   0.009
  622    HB3  MET  78           HB3      MET  78  -6.683  -1.339   1.126
  623    HG2  MET  78           HG2      MET  78  -6.003  -4.263   1.533
  624    HG3  MET  78           HG3      MET  78  -5.194  -2.889   2.272
  625    HE1  MET  78           HE1      MET  78  -7.431  -5.709   2.798
  626    HE2  MET  78           HE2      MET  78  -8.809  -5.184   3.777
  627    HE3  MET  78           HE3      MET  78  -8.762  -4.795   2.052
  628    H    TYR  79           H        TYR  79  -9.733  -1.004   0.208
  629    HA   TYR  79           HA       TYR  79  -9.020   0.366  -2.321
  630    HB2  TYR  79           HB2      TYR  79 -11.820  -0.553  -1.568
  631    HB3  TYR  79           HB3      TYR  79 -11.406   0.439  -2.947
  632    HD1  TYR  79           HD1      TYR  79 -10.188  -0.577  -4.927
  633    HD2  TYR  79           HD2      TYR  79 -11.647  -2.941  -1.627
  634    HE1  TYR  79           HE1      TYR  79 -10.226  -2.584  -6.378
  635    HE2  TYR  79           HE2      TYR  79 -11.675  -4.943  -3.053
  636    HH   TYR  79           HH       TYR  79 -11.270  -5.813  -5.182
  637    H    VAL  80           H        VAL  80  -9.997   2.464  -2.494
  638    HA   VAL  80           HA       VAL  80 -10.884   3.734   0.025
  639    HB   VAL  80           HB       VAL  80  -9.265   5.614  -0.566
  640   HG11  VAL  80          HG11      VAL  80  -7.370   4.614   0.658
  641   HG12  VAL  80          HG12      VAL  80  -8.925   4.288   1.411
  642   HG13  VAL  80          HG13      VAL  80  -8.107   3.004   0.483
  643   HG21  VAL  80          HG21      VAL  80  -8.564   4.801  -2.816
  644   HG22  VAL  80          HG22      VAL  80  -7.192   5.065  -1.731
  645   HG23  VAL  80          HG23      VAL  80  -7.756   3.412  -2.058
  646    H    GLU  81           H        GLU  81 -12.099   5.573  -0.289
  647    HA   GLU  81           HA       GLU  81 -13.366   5.838  -2.946
  648    HB2  GLU  81           HB2      GLU  81 -13.961   7.098  -0.229
  649    HB3  GLU  81           HB3      GLU  81 -14.831   7.465  -1.729
  650    HG2  GLU  81           HG2      GLU  81 -15.421   5.023  -1.923
  651    HG3  GLU  81           HG3      GLU  81 -14.689   4.754  -0.340
  652    H    VAL  82           H        VAL  82 -12.986   7.637  -4.221
  653    HA   VAL  82           HA       VAL  82 -11.087   9.688  -3.246
  654    HB   VAL  82           HB       VAL  82  -9.837   9.394  -5.425
  655   HG11  VAL  82          HG11      VAL  82  -9.675   7.046  -3.500
  656   HG12  VAL  82          HG12      VAL  82  -8.416   7.576  -4.635
  657   HG13  VAL  82          HG13      VAL  82  -8.905   8.639  -3.309
  658   HG21  VAL  82          HG21      VAL  82 -11.165   6.655  -5.548
  659   HG22  VAL  82          HG22      VAL  82 -11.477   8.012  -6.656
  660   HG23  VAL  82          HG23      VAL  82  -9.876   7.276  -6.598
  661    H    ALA  83           H        ALA  83 -11.186  11.668  -4.401
  662    HA   ALA  83           HA       ALA  83 -13.331  11.914  -6.470
  663    HB1  ALA  83           HB1      ALA  83 -14.169  12.909  -4.392
  664    HB2  ALA  83           HB2      ALA  83 -12.672  13.856  -4.211
  665    HB3  ALA  83           HB3      ALA  83 -13.778  14.179  -5.565
  666    H    ASP  84           H        ASP  84 -12.650  12.995  -8.259
  667    HA   ASP  84           HA       ASP  84  -9.784  13.279  -8.651
  668    HB2  ASP  84           HB2      ASP  84 -11.169  12.500 -10.488
  669    HB3  ASP  84           HB3      ASP  84 -12.199  13.938 -10.364
  670    H    ILE  85           H        ILE  85  -8.558  15.021  -8.214
  671    HA   ILE  85           HA       ILE  85  -9.821  17.587  -7.533
  672    HB   ILE  85           HB       ILE  85  -6.910  16.744  -7.588
  673   HG12  ILE  85          HG12      ILE  85  -8.826  17.070  -5.222
  674   HG13  ILE  85          HG13      ILE  85  -8.318  15.531  -5.890
  675   HG21  ILE  85          HG21      ILE  85  -8.173  19.188  -6.273
  676   HG22  ILE  85          HG22      ILE  85  -6.449  18.759  -6.260
  677   HG23  ILE  85          HG23      ILE  85  -7.195  19.236  -7.764
  678   HD11  ILE  85          HD11      ILE  85  -5.949  16.053  -5.299
  679   HD12  ILE  85          HD12      ILE  85  -6.511  17.532  -4.476
  680   HD13  ILE  85          HD13      ILE  85  -7.027  15.960  -3.899
  681    H    GLY  86           H        GLY  86  -8.457  15.991 -10.354
  682    HA2  GLY  86           HA2      GLY  86  -7.317  18.130 -11.771
  683    HA3  GLY  86           HA3      GLY  86  -8.038  16.669 -12.467
  684    H    GLY  87           H        GLY  87 -10.729  16.935 -11.814
  685    HA2  GLY  87           HA2      GLY  87 -11.784  19.601 -12.188
  686    HA3  GLY  87           HA3      GLY  87 -11.787  18.673 -13.700
  687    H    LYS  88           H        LYS  88 -12.319  16.055 -12.289
  688    HA   LYS  88           HA       LYS  88 -15.234  16.382 -12.330
  689    HB2  LYS  88           HB2      LYS  88 -13.510  13.877 -12.159
  690    HB3  LYS  88           HB3      LYS  88 -15.261  13.923 -12.384
  691    HG2  LYS  88           HG2      LYS  88 -14.978  15.146 -14.513
  692    HG3  LYS  88           HG3      LYS  88 -13.214  15.094 -14.320
  693    HD2  LYS  88           HD2      LYS  88 -13.289  12.617 -14.290
  694    HD3  LYS  88           HD3      LYS  88 -15.034  12.659 -14.569
  695    HE2  LYS  88           HE2      LYS  88 -12.915  13.829 -16.435
  696    HE3  LYS  88           HE3      LYS  88 -13.652  12.237 -16.625
  697    HZ1  LYS  88           HZ1      LYS  88 -15.119  14.806 -16.761
  698    HZ2  LYS  88           HZ2      LYS  88 -14.741  13.849 -18.021
  699    HZ3  LYS  88           HZ3      LYS  88 -15.802  13.325 -16.905
  700    H    ASP  89           H        ASP  89 -13.972  17.599 -10.087
  701    HA   ASP  89           HA       ASP  89 -14.045  16.092  -7.681
  702    HB2  ASP  89           HB2      ASP  89 -12.944  18.274  -7.890
  703    HB3  ASP  89           HB3      ASP  89 -14.487  19.049  -8.243
  704    H    ASP  90           H        ASP  90 -16.597  17.395  -9.657
  705    HA   ASP  90           HA       ASP  90 -18.728  17.569  -7.785
  706    HB2  ASP  90           HB2      ASP  90 -18.707  18.576 -10.045
  707    HB3  ASP  90           HB3      ASP  90 -18.733  16.966 -10.768
  708    H    ASP  91           H        ASP  91 -17.029  14.745  -8.814
  709    HA   ASP  91           HA       ASP  91 -19.221  12.996  -7.875
  710    HB2  ASP  91           HB2      ASP  91 -19.240  13.146 -10.403
  711    HB3  ASP  91           HB3      ASP  91 -17.612  12.465 -10.396
  712    H    VAL  92           H        VAL  92 -18.300  10.716  -7.558
  713    HA   VAL  92           HA       VAL  92 -15.555  10.800  -6.429
  714    HB   VAL  92           HB       VAL  92 -17.993   9.831  -4.900
  715   HG11  VAL  92          HG11      VAL  92 -15.856   8.809  -4.168
  716   HG12  VAL  92          HG12      VAL  92 -15.168  10.433  -3.938
  717   HG13  VAL  92          HG13      VAL  92 -16.515   9.873  -2.930
  718   HG21  VAL  92          HG21      VAL  92 -18.275  12.248  -5.039
  719   HG22  VAL  92          HG22      VAL  92 -17.723  11.837  -3.421
  720   HG23  VAL  92          HG23      VAL  92 -16.573  12.511  -4.597
  721    H    TYR  93           H        TYR  93 -14.683   8.723  -6.194
  722    HA   TYR  93           HA       TYR  93 -15.911   6.480  -7.704
  723    HB2  TYR  93           HB2      TYR  93 -13.107   7.584  -8.144
  724    HB3  TYR  93           HB3      TYR  93 -13.903   6.324  -9.063
  725    HD1  TYR  93           HD1      TYR  93 -15.646   6.883 -10.743
  726    HD2  TYR  93           HD2      TYR  93 -13.569   9.958  -8.538
  727    HE1  TYR  93           HE1      TYR  93 -16.434   8.572 -12.369
  728    HE2  TYR  93           HE2      TYR  93 -14.373  11.665 -10.154
  729    HH   TYR  93           HH       TYR  93 -16.440  10.813 -12.969
  730    H    THR  94           H        THR  94 -13.932   4.730  -7.648
  731    HA   THR  94           HA       THR  94 -12.857   4.550  -4.871
  732    HB   THR  94           HB       THR  94 -14.132   2.197  -6.309
  733    HG1  THR  94           HG1      THR  94 -15.743   3.666  -5.776
  734   HG21  THR  94          HG21      THR  94 -12.474   1.569  -4.621
  735   HG22  THR  94          HG22      THR  94 -13.270   2.604  -3.411
  736   HG23  THR  94          HG23      THR  94 -14.100   1.169  -4.055
  737    H    ALA  95           H        ALA  95 -10.830   3.692  -4.763
  738    HA   ALA  95           HA       ALA  95  -9.495   2.740  -7.255
  739    HB1  ALA  95           HB1      ALA  95  -7.511   4.077  -6.543
  740    HB2  ALA  95           HB2      ALA  95  -8.909   5.116  -6.889
  741    HB3  ALA  95           HB3      ALA  95  -8.454   4.765  -5.209
  742    H    LYS  96           H        LYS  96  -7.653   1.344  -6.766
  743    HA   LYS  96           HA       LYS  96  -7.909  -0.279  -4.332
  744    HB2  LYS  96           HB2      LYS  96  -5.865  -0.164  -6.602
  745    HB3  LYS  96           HB3      LYS  96  -5.776  -1.290  -5.248
  746    HG2  LYS  96           HG2      LYS  96  -7.766  -2.419  -5.871
  747    HG3  LYS  96           HG3      LYS  96  -8.201  -1.212  -7.093
  748    HD2  LYS  96           HD2      LYS  96  -5.602  -2.770  -7.241
  749    HD3  LYS  96           HD3      LYS  96  -7.111  -3.438  -7.886
  750    HE2  LYS  96           HE2      LYS  96  -7.296  -1.863  -9.584
  751    HE3  LYS  96           HE3      LYS  96  -6.343  -0.650  -8.721
  752    HZ1  LYS  96           HZ1      LYS  96  -5.146  -1.611 -10.591
  753    HZ2  LYS  96           HZ2      LYS  96  -4.369  -1.793  -9.180
  754    HZ3  LYS  96           HZ3      LYS  96  -5.144  -3.092  -9.877
  755    H    LEU  97           H        LEU  97  -6.666   0.029  -2.514
  756    HA   LEU  97           HA       LEU  97  -5.123   2.435  -2.133
  757    HB2  LEU  97           HB2      LEU  97  -6.125   1.092  -0.271
  758    HB3  LEU  97           HB3      LEU  97  -4.978  -0.206  -0.629
  759    HG   LEU  97           HG       LEU  97  -3.079   1.296  -0.044
  760   HD11  LEU  97          HD11      LEU  97  -3.579   3.438   1.173
  761   HD12  LEU  97          HD12      LEU  97  -3.989   3.516  -0.539
  762   HD13  LEU  97          HD13      LEU  97  -5.273   3.300   0.674
  763   HD21  LEU  97          HD21      LEU  97  -5.229   1.116   2.104
  764   HD22  LEU  97          HD22      LEU  97  -4.092  -0.174   1.641
  765   HD23  LEU  97          HD23      LEU  97  -3.482   1.316   2.371
  766    H    SER  98           H        SER  98  -4.449  -0.779  -3.421
  767    HA   SER  98           HA       SER  98  -1.638  -0.814  -3.463
  768    HB2  SER  98           HB2      SER  98  -3.536  -1.958  -5.546
  769    HB3  SER  98           HB3      SER  98  -1.962  -2.595  -5.052
  770    HG   SER  98           HG       SER  98  -3.735  -3.710  -4.066
  771    H    ASP  99           H        ASP  99  -3.786   1.259  -5.239
  772    HA   ASP  99           HA       ASP  99  -1.713   1.833  -7.310
  773    HB2  ASP  99           HB2      ASP  99  -4.751   1.785  -7.478
  774    HB3  ASP  99           HB3      ASP  99  -3.741   2.604  -8.654
  775    H    ILE 100           H        ILE 100  -2.533   2.967  -4.437
  776    HA   ILE 100           HA       ILE 100  -2.767   5.813  -5.295
  777    HB   ILE 100           HB       ILE 100  -4.038   4.231  -3.097
  778   HG12  ILE 100          HG12      ILE 100  -5.029   5.100  -5.326
  779   HG13  ILE 100          HG13      ILE 100  -5.985   5.220  -3.846
  780   HG21  ILE 100          HG21      ILE 100  -4.588   6.246  -1.769
  781   HG22  ILE 100          HG22      ILE 100  -2.885   5.796  -1.676
  782   HG23  ILE 100          HG23      ILE 100  -3.377   7.174  -2.682
  783   HD11  ILE 100          HD11      ILE 100  -5.591   7.591  -3.703
  784   HD12  ILE 100          HD12      ILE 100  -4.410   7.524  -5.037
  785   HD13  ILE 100          HD13      ILE 100  -6.128   7.186  -5.339
  786    H    GLU 101           H        GLU 101  -1.417   7.210  -4.533
  787    HA   GLU 101           HA       GLU 101   0.693   6.386  -2.589
  788    HB2  GLU 101           HB2      GLU 101   1.525   6.362  -4.944
  789    HB3  GLU 101           HB3      GLU 101   1.085   8.067  -5.107
  790    HG2  GLU 101           HG2      GLU 101   2.642   8.617  -3.227
  791    HG3  GLU 101           HG3      GLU 101   3.080   6.910  -3.105
  792    H    ALA 102           H        ALA 102   0.314   7.622  -0.786
  793    HA   ALA 102           HA       ALA 102  -1.422   9.927  -0.878
  794    HB1  ALA 102           HB1      ALA 102  -1.276   8.428   1.095
  795    HB2  ALA 102           HB2      ALA 102   0.407   8.948   1.360
  796    HB3  ALA 102           HB3      ALA 102  -0.933  10.110   1.504
  797    H    ILE 103           H        ILE 103  -0.925  12.076  -0.607
  798    HA   ILE 103           HA       ILE 103   1.893  12.906  -1.167
  799    HB   ILE 103           HB       ILE 103  -0.767  14.142  -1.952
  800   HG12  ILE 103          HG12      ILE 103   1.485  13.151  -3.764
  801   HG13  ILE 103          HG13      ILE 103   0.104  12.157  -3.333
  802   HG21  ILE 103          HG21      ILE 103   0.532  15.907  -3.104
  803   HG22  ILE 103          HG22      ILE 103   0.853  15.934  -1.383
  804   HG23  ILE 103          HG23      ILE 103   2.044  15.207  -2.483
  805   HD11  ILE 103          HD11      ILE 103  -1.430  13.896  -4.304
  806   HD12  ILE 103          HD12      ILE 103   0.007  14.756  -4.912
  807   HD13  ILE 103          HD13      ILE 103  -0.353  13.126  -5.472
  808    H    ASP 104           H        ASP 104   2.843  14.118   0.277
  809    HA   ASP 104           HA       ASP 104   3.323  15.226   2.168
  810    HB2  ASP 104           HB2      ASP 104   2.686  16.916   0.489
  811    HB3  ASP 104           HB3      ASP 104   1.049  16.949   1.145
  812    H    VAL 105           H        VAL 105   1.734  13.028   2.862
  813    HA   VAL 105           HA       VAL 105  -0.312  14.025   4.726
  814    HB   VAL 105           HB       VAL 105  -0.641  12.174   3.006
  815   HG11  VAL 105          HG11      VAL 105  -0.158   9.872   3.705
  816   HG12  VAL 105          HG12      VAL 105   1.325  10.790   3.383
  817   HG13  VAL 105          HG13      VAL 105   0.806  10.476   5.047
  818   HG21  VAL 105          HG21      VAL 105  -1.516  11.543   5.819
  819   HG22  VAL 105          HG22      VAL 105  -2.209  12.806   4.793
  820   HG23  VAL 105          HG23      VAL 105  -2.281  11.124   4.269
  821    H    ASP 106           H        ASP 106  -0.417  12.607   6.890
  822    HA   ASP 106           HA       ASP 106   1.945  13.330   8.383
  823    HB2  ASP 106           HB2      ASP 106   0.631  13.200  10.138
  824    HB3  ASP 106           HB3      ASP 106  -0.727  12.885   9.063
  825    H    ASP 107           H        ASP 107   3.223  11.829   9.652
  826    HA   ASP 107           HA       ASP 107   4.467   9.952   8.028
  827    HB2  ASP 107           HB2      ASP 107   5.558  11.034   9.926
  828    HB3  ASP 107           HB3      ASP 107   4.481  10.208  11.056
  829    H    ASP 108           H        ASP 108   1.841   9.363  10.443
  830    HA   ASP 108           HA       ASP 108   2.298   6.509  10.407
  831    HB2  ASP 108           HB2      ASP 108   1.035   8.131  12.157
  832    HB3  ASP 108           HB3      ASP 108  -0.369   7.631  11.204
  833    H    THR 109           H        THR 109  -0.073   8.726   8.806
  834    HA   THR 109           HA       THR 109  -1.448   6.735   7.345
  835    HB   THR 109           HB       THR 109  -0.879   9.636   6.543
  836    HG1  THR 109           HG1      THR 109  -1.777   9.624   8.549
  837   HG21  THR 109          HG21      THR 109  -3.091   9.513   5.446
  838   HG22  THR 109          HG22      THR 109  -1.963   8.355   4.712
  839   HG23  THR 109          HG23      THR 109  -3.231   7.826   5.850
  840    H    GLN 110           H        GLN 110   1.578   8.572   6.570
  841    HA   GLN 110           HA       GLN 110   1.863   7.494   3.960
  842    HB2  GLN 110           HB2      GLN 110   3.079   9.482   5.135
  843    HB3  GLN 110           HB3      GLN 110   4.213   8.274   5.729
  844    HG2  GLN 110           HG2      GLN 110   3.516   8.833   2.806
  845    HG3  GLN 110           HG3      GLN 110   4.939   9.440   3.638
  846   HE21  GLN 110          HE22      GLN 110   3.915   7.021   1.551
  847   HE22  GLN 110          HE21      GLN 110   5.133   5.819   1.890
  848    H    GLU 111           H        GLU 111   3.076   6.322   7.161
  849    HA   GLU 111           HA       GLU 111   4.555   4.139   6.159
  850    HB2  GLU 111           HB2      GLU 111   3.164   4.650   8.809
  851    HB3  GLU 111           HB3      GLU 111   4.036   3.151   8.511
  852    HG2  GLU 111           HG2      GLU 111   5.338   5.862   8.105
  853    HG3  GLU 111           HG3      GLU 111   5.293   5.060   9.673
  854    H    ALA 112           H        ALA 112   1.038   4.343   6.867
  855    HA   ALA 112           HA       ALA 112   0.551   1.550   6.429
  856    HB1  ALA 112           HB1      ALA 112  -1.145   2.853   7.481
  857    HB2  ALA 112           HB2      ALA 112  -1.212   3.995   6.123
  858    HB3  ALA 112           HB3      ALA 112  -1.801   2.328   5.925
  859    H    ILE 113           H        ILE 113   0.654   4.335   4.119
  860    HA   ILE 113           HA       ILE 113  -0.119   2.759   1.831
  861    HB   ILE 113           HB       ILE 113   1.220   5.434   2.239
  862   HG12  ILE 113          HG12      ILE 113  -0.736   5.956   0.488
  863   HG13  ILE 113          HG13      ILE 113  -1.352   4.388   0.991
  864   HG21  ILE 113          HG21      ILE 113   0.961   4.171  -0.504
  865   HG22  ILE 113          HG22      ILE 113   1.387   5.862  -0.124
  866   HG23  ILE 113          HG23      ILE 113   2.491   4.572   0.328
  867   HD11  ILE 113          HD11      ILE 113  -1.398   5.203   3.326
  868   HD12  ILE 113          HD12      ILE 113  -0.679   6.743   2.780
  869   HD13  ILE 113          HD13      ILE 113  -2.318   6.283   2.256
  870    H    ALA 114           H        ALA 114   3.097   3.647   3.179
  871    HA   ALA 114           HA       ALA 114   4.635   2.329   1.205
  872    HB1  ALA 114           HB1      ALA 114   5.576   3.952   2.823
  873    HB2  ALA 114           HB2      ALA 114   5.289   2.806   4.151
  874    HB3  ALA 114           HB3      ALA 114   6.452   2.411   2.871
  875    H    ASP 115           H        ASP 115   3.387   1.170   4.357
  876    HA   ASP 115           HA       ASP 115   4.559  -1.408   4.227
  877    HB2  ASP 115           HB2      ASP 115   3.755  -0.380   6.299
  878    HB3  ASP 115           HB3      ASP 115   2.086  -0.502   5.718
  879    H    TRP 116           H        TRP 116   1.391  -0.219   3.067
  880    HA   TRP 116           HA       TRP 116   0.453  -2.834   2.307
  881    HB2  TRP 116           HB2      TRP 116  -1.048  -0.887   2.661
  882    HB3  TRP 116           HB3      TRP 116  -0.371  -0.114   1.223
  883    HD1  TRP 116           HD1      TRP 116  -1.560  -0.671  -0.975
  884    HE1  TRP 116           HE1      TRP 116  -3.021  -2.555  -1.913
  885    HE3  TRP 116           HE3      TRP 116  -1.779  -3.641   3.178
  886    HZ2  TRP 116           HZ2      TRP 116  -4.318  -4.926  -0.886
  887    HZ3  TRP 116           HZ3      TRP 116  -3.108  -5.735   3.154
  888    HH2  TRP 116           HH2      TRP 116  -4.380  -6.390   1.127
  889    H    LEU 117           H        LEU 117   2.387  -0.301   0.637
  890    HA   LEU 117           HA       LEU 117   2.414  -1.678  -1.891
  891    HB2  LEU 117           HB2      LEU 117   4.250   0.414  -0.677
  892    HB3  LEU 117           HB3      LEU 117   4.460  -0.215  -2.305
  893    HG   LEU 117           HG       LEU 117   1.865   1.103  -1.384
  894   HD11  LEU 117          HD11      LEU 117   4.220   2.362  -2.848
  895   HD12  LEU 117          HD12      LEU 117   2.646   3.131  -2.530
  896   HD13  LEU 117          HD13      LEU 117   3.707   2.708  -1.180
  897   HD21  LEU 117          HD21      LEU 117   1.573  -0.302  -3.363
  898   HD22  LEU 117          HD22      LEU 117   1.477   1.399  -3.808
  899   HD23  LEU 117          HD23      LEU 117   2.958   0.481  -4.158
  900    H    TYR 118           H        TYR 118   4.511  -1.940   1.048
  901    HA   TYR 118           HA       TYR 118   6.323  -3.787  -0.203
  902    HB2  TYR 118           HB2      TYR 118   5.529  -3.746   2.722
  903    HB3  TYR 118           HB3      TYR 118   6.953  -4.497   2.023
  904    HD1  TYR 118           HD1      TYR 118   7.950  -2.293   0.185
  905    HD2  TYR 118           HD2      TYR 118   6.462  -2.209   4.232
  906    HE1  TYR 118           HE1      TYR 118   9.167  -0.192   0.582
  907    HE2  TYR 118           HE2      TYR 118   7.574  -0.040   4.607
  908    HH   TYR 118           HH       TYR 118   9.618   1.535   2.090
  909    H    TRP 119           H        TRP 119   3.198  -4.306   1.555
  910    HA   TRP 119           HA       TRP 119   3.221  -7.143   1.282
  911    HB2  TRP 119           HB2      TRP 119   1.799  -6.226   2.848
  912    HB3  TRP 119           HB3      TRP 119   1.114  -5.058   1.728
  913    HD1  TRP 119           HD1      TRP 119  -0.667  -5.946  -0.070
  914    HE1  TRP 119           HE1      TRP 119  -2.419  -7.774   0.098
  915    HE3  TRP 119           HE3      TRP 119   1.364  -8.678   3.763
  916    HZ2  TRP 119           HZ2      TRP 119  -3.130  -9.852   1.984
  917    HZ3  TRP 119           HZ3      TRP 119   0.065 -10.516   4.795
  918    HH2  TRP 119           HH2      TRP 119  -2.214 -11.080   3.945
  919    H    LEU 120           H        LEU 120   2.047  -4.587  -0.972
  920    HA   LEU 120           HA       LEU 120   0.964  -6.301  -2.928
  921    HB2  LEU 120           HB2      LEU 120   0.747  -3.812  -2.768
  922    HB3  LEU 120           HB3      LEU 120   2.429  -3.653  -3.254
  923    HG   LEU 120           HG       LEU 120   1.901  -4.654  -5.464
  924   HD11  LEU 120          HD11      LEU 120  -0.567  -4.713  -6.105
  925   HD12  LEU 120          HD12      LEU 120  -0.028  -6.016  -5.055
  926   HD13  LEU 120          HD13      LEU 120  -0.955  -4.642  -4.372
  927   HD21  LEU 120          HD21      LEU 120   1.923  -2.229  -5.144
  928   HD22  LEU 120          HD22      LEU 120   0.635  -2.661  -6.277
  929   HD23  LEU 120          HD23      LEU 120   0.235  -2.251  -4.594
  930    H    ALA 121           H        ALA 121   4.339  -5.068  -2.528
  931    HA   ALA 121           HA       ALA 121   5.426  -6.586  -4.704
  932    HB1  ALA 121           HB1      ALA 121   6.512  -4.573  -3.846
  933    HB2  ALA 121           HB2      ALA 121   6.725  -5.320  -2.249
  934    HB3  ALA 121           HB3      ALA 121   7.607  -5.955  -3.647
  935    H    ARG 122           H        ARG 122   4.799  -7.414  -1.324
  936    HA   ARG 122           HA       ARG 122   6.383  -9.792  -1.184
  937    HB2  ARG 122           HB2      ARG 122   5.552  -8.532   0.765
  938    HB3  ARG 122           HB3      ARG 122   3.897  -8.917   0.317
  939    HG2  ARG 122           HG2      ARG 122   4.593 -10.152   2.228
  940    HG3  ARG 122           HG3      ARG 122   4.147 -11.227   0.919
  941    HD2  ARG 122           HD2      ARG 122   7.068 -10.490   1.267
  942    HD3  ARG 122           HD3      ARG 122   6.298 -11.575   2.430
  943    HE   ARG 122           HE       ARG 122   5.894 -12.244  -0.393
  944   HH11  ARG 122          HH11      ARG 122   7.567 -13.094   2.680
  945   HH12  ARG 122          HH12      ARG 122   8.172 -14.580   2.041
  946   HH21  ARG 122          HH21      ARG 122   6.798 -14.152  -1.210
  947   HH22  ARG 122          HH22      ARG 122   7.629 -15.246  -0.151
  948    H    GLY 123           H        GLY 123   3.355  -9.097  -2.805
  949    HA2  GLY 123           HA2      GLY 123   2.180 -10.461  -4.241
  950    HA3  GLY 123           HA3      GLY 123   3.256 -11.815  -3.857
  951    H    TYR 124           H        TYR 124   1.498  -9.880  -1.459
  952    HA   TYR 124           HA       TYR 124  -0.014 -10.235   0.099
  953    HB2  TYR 124           HB2      TYR 124  -1.104 -11.601  -2.325
  954    HB3  TYR 124           HB3      TYR 124  -2.029 -11.669  -0.841
  955    HD1  TYR 124           HD2      TYR 124  -0.154  -9.014  -2.813
  956    HD2  TYR 124           HD1      TYR 124  -3.763 -10.147  -0.729
  957    HE1  TYR 124           HE2      TYR 124  -1.203  -6.901  -3.465
  958    HE2  TYR 124           HE1      TYR 124  -4.809  -8.013  -1.373
  959    HH   TYR 124           HH       TYR 124  -4.570  -6.002  -2.692
  960    H    LYS 125           H        LYS 125  -1.296 -11.698   1.459
  961    HA   LYS 125           HA       LYS 125  -0.283 -14.501   1.638
  962    HB2  LYS 125           HB2      LYS 125  -0.640 -12.739   4.072
  963    HB3  LYS 125           HB3      LYS 125  -0.051 -14.376   4.059
  964    HG2  LYS 125           HG2      LYS 125   1.420 -12.049   2.766
  965    HG3  LYS 125           HG3      LYS 125   1.691 -12.566   4.417
  966    HD2  LYS 125           HD2      LYS 125   2.120 -14.352   1.983
  967    HD3  LYS 125           HD3      LYS 125   3.390 -13.429   2.767
  968    HE2  LYS 125           HE2      LYS 125   1.731 -15.618   4.106
  969    HE3  LYS 125           HE3      LYS 125   3.325 -15.844   3.385
  970    HZ1  LYS 125           HZ1      LYS 125   4.215 -14.226   4.972
  971    HZ2  LYS 125           HZ2      LYS 125   2.749 -14.106   5.706
  972    HZ3  LYS 125           HZ3      LYS 125   3.557 -15.524   5.725
  973    H    PHE 126           H        PHE 126  -2.899 -12.622   1.230
  974    HA   PHE 126           HA       PHE 126  -4.945 -13.798   2.869
  975    HB2  PHE 126           HB2      PHE 126  -4.946 -12.786   0.009
  976    HB3  PHE 126           HB3      PHE 126  -6.397 -13.299   0.864
  977    HD1  PHE 126           HD2      PHE 126  -4.976 -11.727   3.514
  978    HD2  PHE 126           HD1      PHE 126  -6.400 -10.754  -0.440
  979    HE1  PHE 126           HE2      PHE 126  -5.393  -9.399   4.226
  980    HE2  PHE 126           HE1      PHE 126  -6.788  -8.421   0.282
  981    HZ   PHE 126           HZ       PHE 126  -6.270  -7.730   2.618