*HEADER    PROTEIN BINDING                         01-FEB-10   2KTF              
*TITLE     SOLUTION NMR STRUCTURE OF HUMAN POLYMERASE IOTA UBM2 IN COMPLEX WITH  
*TITLE    2 UBIQUITIN                                                            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: UBIQUITIN;                                                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 MOL_ID: 2;                                                           
*COMPND   6 MOLECULE: DNA POLYMERASE IOTA;                                       
*COMPND   7 CHAIN: B;                                                            
*COMPND   8 FRAGMENT: UBIQUITIN BIDING MOTIF UBM2;                               
*COMPND   9 SYNONYM: RAD30 HOMOLOG B, ETA2;                                      
*COMPND  10 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: RPS27A, UBA80, UBCEP1, UBA52, UBCEP2, UBB, UBC;                
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PRSUB;                                    
*SOURCE  10 MOL_ID: 2;                                                           
*SOURCE  11 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE  12 ORGANISM_COMMON: HUMAN;                                              
*SOURCE  13 ORGANISM_TAXID: 9606;                                                
*SOURCE  14 GENE: POLI, RAD30B;                                                  
*SOURCE  15 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE  16 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE  17 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE  18 EXPRESSION_SYSTEM_PLASMID: PTEV                                      
*KEYWDS    TRANSLESION SYNTHESIS DNA POLYMERASE, Y-FAMILY DNA POLYMERASE,        
*KEYWDS   2 UBIQUITIN BINDING MOTIF, UBIQUITIN, ISOPEPTIDE BOND, NUCLEUS,        
*KEYWDS   3 PHOSPHOPROTEIN, PROTEIN BINDING                                      
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    G.CUI, R.BENIRSCHKE, G.MER                                            
*REVDAT   1   03-NOV-10 2KTF    0                                                


# 1748 atoms read from pdb file cnoe/ubq_amb.pdb.
# 82 SER PHI:  (81 PRO C)-(82 SER N)-(82 SER CA)-(82 SER C) -96.0 -36.0
 &rst     iat =  1307,  1309,  1311,  1318,
   r1 = -97.0, r2 = -96.0, r3 = -36.0, r4 = -35.0,
   rk2 =   50.0, rk3 =   50.0,    &end

# 82 SER PSI:  (82 SER N)-(82 SER CA)-(82 SER C)-(83 ASP N) -50.0  10.0
 &rst     iat =  1309,  1311,  1318,  1320,
   r1 = -51.0, r2 = -50.0, r3 =  10.0, r4 =  11.0,
 &end

# 83 ASP PHI:  (82 SER C)-(83 ASP N)-(83 ASP CA)-(83 ASP C) -115.0 -55.0
 &rst     iat =  1318,  1320,  1322,  1330,
   r1 = -116.0, r2 = -115.0, r3 = -55.0, r4 = -54.0,
 &end

# 83 ASP PSI:  (83 ASP N)-(83 ASP CA)-(83 ASP C)-(84 ILE N) -38.0  22.0
 &rst     iat =  1320,  1322,  1330,  1332,
   r1 = -39.0, r2 = -38.0, r3 =  22.0, r4 =  23.0,
 &end

# 84 ILE PHI:  (83 ASP C)-(84 ILE N)-(84 ILE CA)-(84 ILE C) -143.0 -83.0
 &rst     iat =  1330,  1332,  1334,  1349,
   r1 = -144.0, r2 = -143.0, r3 = -83.0, r4 = -82.0,
 &end

# 84 ILE PSI:  (84 ILE N)-(84 ILE CA)-(84 ILE C)-(85 ASP N) 120.0 180.0
 &rst     iat =  1332,  1334,  1349,  1351,
   r1 = 119.0, r2 = 120.0, r3 = 180.0, r4 = 181.0,
 &end

# 86 PRO PSI:  (86 PRO N)-(86 PRO CA)-(86 PRO C)-(87 GLN N) -62.9  -2.9
 &rst     iat =  1363,  1373,  1375,  1377,
   r1 = -63.9, r2 = -62.9, r3 =  -2.9, r4 =  -1.9,
 &end

# 87 GLN PHI:  (86 PRO C)-(87 GLN N)-(87 GLN CA)-(87 GLN C) -90.5 -30.5
 &rst     iat =  1375,  1377,  1379,  1392,
   r1 = -91.5, r2 = -90.5, r3 = -30.5, r4 = -29.5,
 &end

# 87 GLN PSI:  (87 GLN N)-(87 GLN CA)-(87 GLN C)-(88 VAL N) -73.4 -13.4
 &rst     iat =  1377,  1379,  1392,  1394,
   r1 = -74.4, r2 = -73.4, r3 = -13.4, r4 = -12.4,
 &end

# 88 VAL PHI:  (87 GLN C)-(88 VAL N)-(88 VAL CA)-(88 VAL C) -96.0 -36.0
 &rst     iat =  1392,  1394,  1396,  1408,
   r1 = -97.0, r2 = -96.0, r3 = -36.0, r4 = -35.0,
 &end

# 88 VAL PSI:  (88 VAL N)-(88 VAL CA)-(88 VAL C)-(89 PHE N) -73.0 -13.0
 &rst     iat =  1394,  1396,  1408,  1410,
   r1 = -74.0, r2 = -73.0, r3 = -13.0, r4 = -12.0,
 &end

# 89 PHE PHI:  (88 VAL C)-(89 PHE N)-(89 PHE CA)-(89 PHE C) -94.4 -34.4
 &rst     iat =  1408,  1410,  1412,  1428,
   r1 = -95.4, r2 = -94.4, r3 = -34.4, r4 = -33.4,
 &end

# 89 PHE PSI:  (89 PHE N)-(89 PHE CA)-(89 PHE C)-(90 TYR N) -75.4 -15.4
 &rst     iat =  1410,  1412,  1428,  1430,
   r1 = -76.4, r2 = -75.4, r3 = -15.4, r4 = -14.4,
 &end

# 90 TYR PHI:  (89 PHE C)-(90 TYR N)-(90 TYR CA)-(90 TYR C) -94.9 -34.9
 &rst     iat =  1428,  1430,  1432,  1449,
   r1 = -95.9, r2 = -94.9, r3 = -34.9, r4 = -33.9,
 &end

# 90 TYR PSI:  (90 TYR N)-(90 TYR CA)-(90 TYR C)-(91 GLU N) -53.5   6.5
 &rst     iat =  1430,  1432,  1449,  1451,
   r1 = -54.5, r2 = -53.5, r3 =   6.5, r4 =   7.5,
 &end

# 91 GLU PHI:  (90 TYR C)-(91 GLU N)-(91 GLU CA)-(91 GLU C) -119.5 -59.5
 &rst     iat =  1449,  1451,  1453,  1464,
   r1 = -120.5, r2 = -119.5, r3 = -59.5, r4 = -58.5,
 &end

# 91 GLU PSI:  (91 GLU N)-(91 GLU CA)-(91 GLU C)-(92 LEU N) -51.8   8.2
 &rst     iat =  1451,  1453,  1464,  1466,
   r1 = -52.8, r2 = -51.8, r3 =   8.2, r4 =   9.2,
 &end

# 94 GLU PHI:  (93 PRO C)-(94 GLU N)-(94 GLU CA)-(94 GLU C) -82.7 -22.7
 &rst     iat =  1497,  1499,  1501,  1512,
   r1 = -83.7, r2 = -82.7, r3 = -22.7, r4 = -21.7,
 &end

# 94 GLU PSI:  (94 GLU N)-(94 GLU CA)-(94 GLU C)-(95 ALA N) -76.1 -16.0
 &rst     iat =  1499,  1501,  1512,  1514,
   r1 = -77.1, r2 = -76.1, r3 = -16.0, r4 = -15.0,
 &end

# 95 ALA PHI:  (94 GLU C)-(95 ALA N)-(95 ALA CA)-(95 ALA C) -91.0 -31.0
 &rst     iat =  1512,  1514,  1516,  1522,
   r1 = -92.0, r2 = -91.0, r3 = -31.0, r4 = -30.0,
 &end

# 95 ALA PSI:  (95 ALA N)-(95 ALA CA)-(95 ALA C)-(96 VAL N) -64.8  -4.8
 &rst     iat =  1514,  1516,  1522,  1524,
   r1 = -65.8, r2 = -64.8, r3 =  -4.8, r4 =  -3.8,
 &end

# 96 VAL PHI:  (95 ALA C)-(96 VAL N)-(96 VAL CA)-(96 VAL C) -99.9 -39.9
 &rst     iat =  1522,  1524,  1526,  1538,
   r1 = -100.9, r2 = -99.9, r3 = -39.9, r4 = -38.9,
 &end

# 96 VAL PSI:  (96 VAL N)-(96 VAL CA)-(96 VAL C)-(97 GLN N) -67.2  -7.2
 &rst     iat =  1524,  1526,  1538,  1540,
   r1 = -68.2, r2 = -67.2, r3 =  -7.2, r4 =  -6.2,
 &end

# 97 GLN PHI:  (96 VAL C)-(97 GLN N)-(97 GLN CA)-(97 GLN C) -89.9 -29.9
 &rst     iat =  1538,  1540,  1542,  1555,
   r1 = -90.9, r2 = -89.9, r3 = -29.9, r4 = -28.9,
 &end

# 97 GLN PSI:  (97 GLN N)-(97 GLN CA)-(97 GLN C)-(98 LYS N) -72.0 -12.0
 &rst     iat =  1540,  1542,  1555,  1557,
   r1 = -73.0, r2 = -72.0, r3 = -12.0, r4 = -11.0,
 &end

# 98 LYS PHI:  (97 GLN C)-(98 LYS N)-(98 LYS CA)-(98 LYS C) -92.0 -32.0
 &rst     iat =  1555,  1557,  1559,  1577,
   r1 = -93.0, r2 = -92.0, r3 = -32.0, r4 = -31.0,
 &end

# 98 LYS PSI:  (98 LYS N)-(98 LYS CA)-(98 LYS C)-(99 GLU N) -74.5 -14.5
 &rst     iat =  1557,  1559,  1577,  1579,
   r1 = -75.5, r2 = -74.5, r3 = -14.5, r4 = -13.5,
 &end

# 99 GLU PHI:  (98 LYS C)-(99 GLU N)-(99 GLU CA)-(99 GLU C) -95.6 -35.6
 &rst     iat =  1577,  1579,  1581,  1592,
   r1 = -96.6, r2 = -95.6, r3 = -35.6, r4 = -34.6,
 &end

# 99 GLU PSI:  (99 GLU N)-(99 GLU CA)-(99 GLU C)-(100 LEU N) -69.3  -9.3
 &rst     iat =  1579,  1581,  1592,  1594,
   r1 = -70.3, r2 = -69.3, r3 =  -9.3, r4 =  -8.3,
 &end

# 100 LEU PHI:  (99 GLU C)-(100 LEU N)-(100 LEU CA)-(100 LEU C) -97.3 -37.3
 &rst     iat =  1592,  1594,  1596,  1611,
   r1 = -98.3, r2 = -97.3, r3 = -37.3, r4 = -36.3,
 &end

# 100 LEU PSI:  (100 LEU N)-(100 LEU CA)-(100 LEU C)-(101 LEU N) -71.1 -11.1
 &rst     iat =  1594,  1596,  1611,  1613,
   r1 = -72.1, r2 = -71.1, r3 = -11.1, r4 = -10.1,
 &end

# 101 LEU PHI:  (100 LEU C)-(101 LEU N)-(101 LEU CA)-(101 LEU C) -94.3 -34.3
 &rst     iat =  1611,  1613,  1615,  1630,
   r1 = -95.3, r2 = -94.3, r3 = -34.3, r4 = -33.3,
 &end

# 101 LEU PSI:  (101 LEU N)-(101 LEU CA)-(101 LEU C)-(102 ALA N) -69.9  -9.9
 &rst     iat =  1613,  1615,  1630,  1632,
   r1 = -70.9, r2 = -69.9, r3 =  -9.9, r4 =  -8.9,
 &end

# 102 ALA PHI:  (101 LEU C)-(102 ALA N)-(102 ALA CA)-(102 ALA C) -93.0 -33.0
 &rst     iat =  1630,  1632,  1634,  1640,
   r1 = -94.0, r2 = -93.0, r3 = -33.0, r4 = -32.0,
 &end

# 102 ALA PSI:  (102 ALA N)-(102 ALA CA)-(102 ALA C)-(103 GLU N) -69.1  -9.1
 &rst     iat =  1632,  1634,  1640,  1642,
   r1 = -70.1, r2 = -69.1, r3 =  -9.1, r4 =  -8.1,
 &end

# 103 GLU PHI:  (102 ALA C)-(103 GLU N)-(103 GLU CA)-(103 GLU C) -93.9 -33.9
 &rst     iat =  1640,  1642,  1644,  1655,
   r1 = -94.9, r2 = -93.9, r3 = -33.9, r4 = -32.9,
 &end

# 103 GLU PSI:  (103 GLU N)-(103 GLU CA)-(103 GLU C)-(104 TRP N) -71.8 -11.8
 &rst     iat =  1642,  1644,  1655,  1657,
   r1 = -72.8, r2 = -71.8, r3 = -11.8, r4 = -10.8,
 &end

# 104 TRP PHI:  (103 GLU C)-(104 TRP N)-(104 TRP CA)-(104 TRP C) -101.6 -41.6
 &rst     iat =  1655,  1657,  1659,  1679,
   r1 = -102.6, r2 = -101.6, r3 = -41.6, r4 = -40.6,
 &end

# 104 TRP PSI:  (104 TRP N)-(104 TRP CA)-(104 TRP C)-(105 LYS N) -63.9  -3.9
 &rst     iat =  1657,  1659,  1679,  1681,
   r1 = -64.9, r2 = -63.9, r3 =  -3.9, r4 =  -2.9,
 &end

# 105 LYS PHI:  (104 TRP C)-(105 LYS N)-(105 LYS CA)-(105 LYS C) -98.6 -38.6
 &rst     iat =  1679,  1681,  1683,  1701,
   r1 = -99.6, r2 = -98.6, r3 = -38.6, r4 = -37.6,
 &end

# 105 LYS PSI:  (105 LYS N)-(105 LYS CA)-(105 LYS C)-(106 ARG N) -61.5  -1.5
 &rst     iat =  1681,  1683,  1701,  1703,
   r1 = -62.5, r2 = -61.5, r3 =  -1.5, r4 =  -0.5,
 &end

# 106 ARG PHI:  (105 LYS C)-(106 ARG N)-(106 ARG CA)-(106 ARG C) -103.2 -43.2
 &rst     iat =  1701,  1703,  1705,  1725,
   r1 = -104.2, r2 = -103.2, r3 = -43.2, r4 = -42.2,
 &end

# 106 ARG PSI:  (106 ARG N)-(106 ARG CA)-(106 ARG C)-(107 THR N) -68.5  -8.5
 &rst     iat =  1703,  1705,  1725,  1727,
   r1 = -69.5, r2 = -68.5, r3 =  -8.5, r4 =  -7.5,
 &end

# 2 GLN PHI:  (1 MET C)-(2 GLN N)-(2 GLN CA)-(2 GLN C) -169.0 -109.0
 &rst     iat =    18,    20,    22,    35,
   r1 = -170.0, r2 = -169.0, r3 = -109.0, r4 = -108.0,
 &end

# 2 GLN PSI:  (2 GLN N)-(2 GLN CA)-(2 GLN C)-(3 ILE N) 105.0 165.0
 &rst     iat =    20,    22,    35,    37,
   r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
 &end

# 3 ILE PHI:  (2 GLN C)-(3 ILE N)-(3 ILE CA)-(3 ILE C) -169.2 -109.2
 &rst     iat =    35,    37,    39,    54,
   r1 = -170.2, r2 = -169.2, r3 = -109.2, r4 = -108.2,
 &end

# 3 ILE PSI:  (3 ILE N)-(3 ILE CA)-(3 ILE C)-(4 PHE N) 134.7 194.7
 &rst     iat =    37,    39,    54,    56,
   r1 = 133.7, r2 = 134.7, r3 = 194.7, r4 = 195.7,
 &end

# 4 PHE PHI:  (3 ILE C)-(4 PHE N)-(4 PHE CA)-(4 PHE C) -149.9 -89.9
 &rst     iat =    54,    56,    58,    74,
   r1 = -150.9, r2 = -149.9, r3 = -89.9, r4 = -88.9,
 &end

# 4 PHE PSI:  (4 PHE N)-(4 PHE CA)-(4 PHE C)-(5 VAL N)  98.1 158.1
 &rst     iat =    56,    58,    74,    76,
   r1 =  97.1, r2 =  98.1, r3 = 158.1, r4 = 159.1,
 &end

# 5 VAL PHI:  (4 PHE C)-(5 VAL N)-(5 VAL CA)-(5 VAL C) -147.9 -87.9
 &rst     iat =    74,    76,    78,    90,
   r1 = -148.9, r2 = -147.9, r3 = -87.9, r4 = -86.9,
 &end

# 5 VAL PSI:  (5 VAL N)-(5 VAL CA)-(5 VAL C)-(6 LYS N)  94.6 154.6
 &rst     iat =    76,    78,    90,    92,
   r1 =  93.6, r2 =  94.6, r3 = 154.6, r4 = 155.6,
 &end

# 6 LYS PSI:  (6 LYS N)-(6 LYS CA)-(6 LYS C)-(7 THR N) 104.2 164.2
 &rst     iat =    92,    94,   112,   114,
   r1 = 103.2, r2 = 104.2, r3 = 164.2, r4 = 165.2,
 &end

# 7 THR PHI:  (6 LYS C)-(7 THR N)-(7 THR CA)-(7 THR C) -142.5 -82.5
 &rst     iat =   112,   114,   116,   126,
   r1 = -143.5, r2 = -142.5, r3 = -82.5, r4 = -81.5,
 &end

# 7 THR PSI:  (7 THR N)-(7 THR CA)-(7 THR C)-(8 LEU N) 130.3 190.3
 &rst     iat =   114,   116,   126,   128,
   r1 = 129.3, r2 = 130.3, r3 = 190.3, r4 = 191.3,
 &end

# 8 LEU PHI:  (7 THR C)-(8 LEU N)-(8 LEU CA)-(8 LEU C) -97.3 -37.3
 &rst     iat =   126,   128,   130,   145,
   r1 = -98.3, r2 = -97.3, r3 = -37.3, r4 = -36.3,
 &end

# 8 LEU PSI:  (8 LEU N)-(8 LEU CA)-(8 LEU C)-(9 THR N) -47.5  12.5
 &rst     iat =   128,   130,   145,   147,
   r1 = -48.5, r2 = -47.5, r3 =  12.5, r4 =  13.5,
 &end

# 9 THR PHI:  (8 LEU C)-(9 THR N)-(9 THR CA)-(9 THR C) -136.1 -76.1
 &rst     iat =   145,   147,   149,   159,
   r1 = -137.1, r2 = -136.1, r3 = -76.1, r4 = -75.1,
 &end

# 9 THR PSI:  (9 THR N)-(9 THR CA)-(9 THR C)-(10 GLY N) -27.4  32.6
 &rst     iat =   147,   149,   159,   161,
   r1 = -28.4, r2 = -27.4, r3 =  32.6, r4 =  33.6,
 &end

# 10 GLY PHI:  (9 THR C)-(10 GLY N)-(10 GLY CA)-(10 GLY C)  52.5 112.5
 &rst     iat =   159,   161,   163,   166,
   r1 =  51.5, r2 =  52.5, r3 = 112.5, r4 = 113.5,
 &end

# 10 GLY PSI:  (10 GLY N)-(10 GLY CA)-(10 GLY C)-(11 LYS N) -23.3  36.7
 &rst     iat =   161,   163,   166,   168,
   r1 = -24.3, r2 = -23.3, r3 =  36.7, r4 =  37.7,
 &end

# 11 LYS PHI:  (10 GLY C)-(11 LYS N)-(11 LYS CA)-(11 LYS C) -116.8 -56.8
 &rst     iat =   166,   168,   170,   188,
   r1 = -117.8, r2 = -116.8, r3 = -56.8, r4 = -55.8,
 &end

# 11 LYS PSI:  (11 LYS N)-(11 LYS CA)-(11 LYS C)-(12 THR N)  97.9 157.9
 &rst     iat =   168,   170,   188,   190,
   r1 =  96.9, r2 =  97.9, r3 = 157.9, r4 = 158.9,
 &end

# 12 THR PHI:  (11 LYS C)-(12 THR N)-(12 THR CA)-(12 THR C) -135.5 -75.5
 &rst     iat =   188,   190,   192,   202,
   r1 = -136.5, r2 = -135.5, r3 = -75.5, r4 = -74.5,
 &end

# 12 THR PSI:  (12 THR N)-(12 THR CA)-(12 THR C)-(13 ILE N) 100.5 160.5
 &rst     iat =   190,   192,   202,   204,
   r1 =  99.5, r2 = 100.5, r3 = 160.5, r4 = 161.5,
 &end

# 13 ILE PHI:  (12 THR C)-(13 ILE N)-(13 ILE CA)-(13 ILE C) -146.0 -86.0
 &rst     iat =   202,   204,   206,   221,
   r1 = -147.0, r2 = -146.0, r3 = -86.0, r4 = -85.0,
 &end

# 13 ILE PSI:  (13 ILE N)-(13 ILE CA)-(13 ILE C)-(14 THR N)  94.7 154.7
 &rst     iat =   204,   206,   221,   223,
   r1 =  93.7, r2 =  94.7, r3 = 154.7, r4 = 155.7,
 &end

# 14 THR PHI:  (13 ILE C)-(14 THR N)-(14 THR CA)-(14 THR C) -144.2 -84.2
 &rst     iat =   221,   223,   225,   235,
   r1 = -145.2, r2 = -144.2, r3 = -84.2, r4 = -83.2,
 &end

# 14 THR PSI:  (14 THR N)-(14 THR CA)-(14 THR C)-(15 LEU N)  94.3 154.4
 &rst     iat =   223,   225,   235,   237,
   r1 =  93.3, r2 =  94.3, r3 = 154.4, r4 = 155.4,
 &end

# 15 LEU PHI:  (14 THR C)-(15 LEU N)-(15 LEU CA)-(15 LEU C) -155.5 -95.5
 &rst     iat =   235,   237,   239,   254,
   r1 = -156.5, r2 = -155.5, r3 = -95.5, r4 = -94.5,
 &end

# 15 LEU PSI:  (15 LEU N)-(15 LEU CA)-(15 LEU C)-(16 GLU N) 109.2 169.2
 &rst     iat =   237,   239,   254,   256,
   r1 = 108.2, r2 = 109.2, r3 = 169.2, r4 = 170.2,
 &end

# 16 GLU PHI:  (15 LEU C)-(16 GLU N)-(16 GLU CA)-(16 GLU C) -142.7 -82.7
 &rst     iat =   254,   256,   258,   269,
   r1 = -143.7, r2 = -142.7, r3 = -82.7, r4 = -81.7,
 &end

# 16 GLU PSI:  (16 GLU N)-(16 GLU CA)-(16 GLU C)-(17 VAL N) 102.9 162.9
 &rst     iat =   256,   258,   269,   271,
   r1 = 101.9, r2 = 102.9, r3 = 162.9, r4 = 163.9,
 &end

# 17 VAL PHI:  (16 GLU C)-(17 VAL N)-(17 VAL CA)-(17 VAL C) -164.6 -104.6
 &rst     iat =   269,   271,   273,   285,
   r1 = -165.6, r2 = -164.6, r3 = -104.6, r4 = -103.6,
 &end

# 17 VAL PSI:  (17 VAL N)-(17 VAL CA)-(17 VAL C)-(18 GLU N) 130.8 190.8
 &rst     iat =   271,   273,   285,   287,
   r1 = 129.8, r2 = 130.8, r3 = 190.8, r4 = 191.8,
 &end

# 18 GLU PHI:  (17 VAL C)-(18 GLU N)-(18 GLU CA)-(18 GLU C) -147.8 -87.8
 &rst     iat =   285,   287,   289,   300,
   r1 = -148.8, r2 = -147.8, r3 = -87.8, r4 = -86.8,
 &end

# 18 GLU PSI:  (18 GLU N)-(18 GLU CA)-(18 GLU C)-(19 PRO N) 119.1 179.1
 &rst     iat =   287,   289,   300,   302,
   r1 = 118.1, r2 = 119.1, r3 = 179.1, r4 = 180.1,
 &end

# 23 ILE PHI:  (22 THR C)-(23 ILE N)-(23 ILE CA)-(23 ILE C) -87.0 -27.0
 &rst     iat =   351,   353,   355,   370,
   r1 = -88.0, r2 = -87.0, r3 = -27.0, r4 = -26.0,
 &end

# 23 ILE PSI:  (23 ILE N)-(23 ILE CA)-(23 ILE C)-(24 GLU N) -77.0 -17.0
 &rst     iat =   353,   355,   370,   372,
   r1 = -78.0, r2 = -77.0, r3 = -17.0, r4 = -16.0,
 &end

# 24 GLU PHI:  (23 ILE C)-(24 GLU N)-(24 GLU CA)-(24 GLU C) -87.0 -27.0
 &rst     iat =   370,   372,   374,   385,
   r1 = -88.0, r2 = -87.0, r3 = -27.0, r4 = -26.0,
 &end

# 24 GLU PSI:  (24 GLU N)-(24 GLU CA)-(24 GLU C)-(25 ASN N) -77.0 -17.0
 &rst     iat =   372,   374,   385,   387,
   r1 = -78.0, r2 = -77.0, r3 = -17.0, r4 = -16.0,
 &end

# 25 ASN PHI:  (24 GLU C)-(25 ASN N)-(25 ASN CA)-(25 ASN C) -97.8 -37.8
 &rst     iat =   385,   387,   389,   399,
   r1 = -98.8, r2 = -97.8, r3 = -37.8, r4 = -36.8,
 &end

# 25 ASN PSI:  (25 ASN N)-(25 ASN CA)-(25 ASN C)-(26 VAL N) -68.7  -8.7
 &rst     iat =   387,   389,   399,   401,
   r1 = -69.7, r2 = -68.7, r3 =  -8.7, r4 =  -7.7,
 &end

# 26 VAL PHI:  (25 ASN C)-(26 VAL N)-(26 VAL CA)-(26 VAL C) -94.6 -34.6
 &rst     iat =   399,   401,   403,   415,
   r1 = -95.6, r2 = -94.6, r3 = -34.6, r4 = -33.6,
 &end

# 26 VAL PSI:  (26 VAL N)-(26 VAL CA)-(26 VAL C)-(27 LYS N) -71.6 -11.6
 &rst     iat =   401,   403,   415,   417,
   r1 = -72.6, r2 = -71.6, r3 = -11.6, r4 = -10.6,
 &end

# 27 LYS PHI:  (26 VAL C)-(27 LYS N)-(27 LYS CA)-(27 LYS C) -90.5 -30.5
 &rst     iat =   415,   417,   419,   437,
   r1 = -91.5, r2 = -90.5, r3 = -30.5, r4 = -29.5,
 &end

# 27 LYS PSI:  (27 LYS N)-(27 LYS CA)-(27 LYS C)-(28 ALA N) -70.5 -10.5
 &rst     iat =   417,   419,   437,   439,
   r1 = -71.5, r2 = -70.5, r3 = -10.5, r4 =  -9.5,
 &end

# 28 ALA PHI:  (27 LYS C)-(28 ALA N)-(28 ALA CA)-(28 ALA C) -94.2 -34.2
 &rst     iat =   437,   439,   441,   447,
   r1 = -95.2, r2 = -94.2, r3 = -34.2, r4 = -33.2,
 &end

# 28 ALA PSI:  (28 ALA N)-(28 ALA CA)-(28 ALA C)-(29 LYS N) -70.8 -10.8
 &rst     iat =   439,   441,   447,   449,
   r1 = -71.8, r2 = -70.8, r3 = -10.8, r4 =  -9.8,
 &end

# 29 LYS PHI:  (28 ALA C)-(29 LYS N)-(29 LYS CA)-(29 LYS C) -96.5 -36.5
 &rst     iat =   447,   449,   451,   469,
   r1 = -97.5, r2 = -96.5, r3 = -36.5, r4 = -35.5,
 &end

# 29 LYS PSI:  (29 LYS N)-(29 LYS CA)-(29 LYS C)-(30 ILE N) -71.8 -11.8
 &rst     iat =   449,   451,   469,   471,
   r1 = -72.8, r2 = -71.8, r3 = -11.8, r4 = -10.8,
 &end

# 30 ILE PHI:  (29 LYS C)-(30 ILE N)-(30 ILE CA)-(30 ILE C) -91.8 -31.8
 &rst     iat =   469,   471,   473,   488,
   r1 = -92.8, r2 = -91.8, r3 = -31.8, r4 = -30.8,
 &end

# 30 ILE PSI:  (30 ILE N)-(30 ILE CA)-(30 ILE C)-(31 GLN N) -75.4 -15.4
 &rst     iat =   471,   473,   488,   490,
   r1 = -76.4, r2 = -75.4, r3 = -15.4, r4 = -14.4,
 &end

# 31 GLN PHI:  (30 ILE C)-(31 GLN N)-(31 GLN CA)-(31 GLN C) -93.0 -33.0
 &rst     iat =   488,   490,   492,   505,
   r1 = -94.0, r2 = -93.0, r3 = -33.0, r4 = -32.0,
 &end

# 31 GLN PSI:  (31 GLN N)-(31 GLN CA)-(31 GLN C)-(32 ASP N) -70.3 -10.3
 &rst     iat =   490,   492,   505,   507,
   r1 = -71.3, r2 = -70.3, r3 = -10.3, r4 =  -9.3,
 &end

# 32 ASP PHI:  (31 GLN C)-(32 ASP N)-(32 ASP CA)-(32 ASP C) -94.5 -34.5
 &rst     iat =   505,   507,   509,   517,
   r1 = -95.5, r2 = -94.5, r3 = -34.5, r4 = -33.5,
 &end

# 32 ASP PSI:  (32 ASP N)-(32 ASP CA)-(32 ASP C)-(33 LYS N) -72.6 -12.6
 &rst     iat =   507,   509,   517,   519,
   r1 = -73.6, r2 = -72.6, r3 = -12.6, r4 = -11.6,
 &end

# 33 LYS PHI:  (32 ASP C)-(33 LYS N)-(33 LYS CA)-(33 LYS C) -112.2 -52.2
 &rst     iat =   517,   519,   521,   539,
   r1 = -113.2, r2 = -112.2, r3 = -52.2, r4 = -51.2,
 &end

# 33 LYS PSI:  (33 LYS N)-(33 LYS CA)-(33 LYS C)-(34 GLU N) -61.0  -1.0
 &rst     iat =   519,   521,   539,   541,
   r1 = -62.0, r2 = -61.0, r3 =  -1.0, r4 =   0.0,
 &end

# 34 GLU PHI:  (33 LYS C)-(34 GLU N)-(34 GLU CA)-(34 GLU C) -133.5 -73.5
 &rst     iat =   539,   541,   543,   554,
   r1 = -134.5, r2 = -133.5, r3 = -73.5, r4 = -72.5,
 &end

# 34 GLU PSI:  (34 GLU N)-(34 GLU CA)-(34 GLU C)-(35 GLY N) -50.5   9.5
 &rst     iat =   541,   543,   554,   556,
   r1 = -51.5, r2 = -50.5, r3 =   9.5, r4 =  10.5,
 &end

# 36 ILE PHI:  (35 GLY C)-(36 ILE N)-(36 ILE CA)-(36 ILE C) -150.3 -90.3
 &rst     iat =   561,   563,   565,   580,
   r1 = -151.3, r2 = -150.3, r3 = -90.3, r4 = -89.3,
 &end

# 36 ILE PSI:  (36 ILE N)-(36 ILE CA)-(36 ILE C)-(37 PRO N) 130.3 190.3
 &rst     iat =   563,   565,   580,   582,
   r1 = 129.3, r2 = 130.3, r3 = 190.3, r4 = 191.3,
 &end

# 39 ASP PHI:  (38 PRO C)-(39 ASP N)-(39 ASP CA)-(39 ASP C) -100.8 -40.8
 &rst     iat =   608,   610,   612,   620,
   r1 = -101.8, r2 = -100.8, r3 = -40.8, r4 = -39.8,
 &end

# 39 ASP PSI:  (39 ASP N)-(39 ASP CA)-(39 ASP C)-(40 GLN N) -61.7  -1.7
 &rst     iat =   610,   612,   620,   622,
   r1 = -62.7, r2 = -61.7, r3 =  -1.7, r4 =  -0.7,
 &end

# 40 GLN PHI:  (39 ASP C)-(40 GLN N)-(40 GLN CA)-(40 GLN C) -123.8 -63.8
 &rst     iat =   620,   622,   624,   637,
   r1 = -124.8, r2 = -123.8, r3 = -63.8, r4 = -62.8,
 &end

# 40 GLN PSI:  (40 GLN N)-(40 GLN CA)-(40 GLN C)-(41 GLN N) -44.0  16.0
 &rst     iat =   622,   624,   637,   639,
   r1 = -45.0, r2 = -44.0, r3 =  16.0, r4 =  17.0,
 &end

# 41 GLN PHI:  (40 GLN C)-(41 GLN N)-(41 GLN CA)-(41 GLN C) -169.0 -109.0
 &rst     iat =   637,   639,   641,   654,
   r1 = -170.0, r2 = -169.0, r3 = -109.0, r4 = -108.0,
 &end

# 41 GLN PSI:  (41 GLN N)-(41 GLN CA)-(41 GLN C)-(42 ARG N) 105.0 165.0
 &rst     iat =   639,   641,   654,   656,
   r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
 &end

# 42 ARG PHI:  (41 GLN C)-(42 ARG N)-(42 ARG CA)-(42 ARG C) -141.4 -81.4
 &rst     iat =   654,   656,   658,   678,
   r1 = -142.4, r2 = -141.4, r3 = -81.4, r4 = -80.4,
 &end

# 42 ARG PSI:  (42 ARG N)-(42 ARG CA)-(42 ARG C)-(43 LEU N)  91.5 151.5
 &rst     iat =   656,   658,   678,   680,
   r1 =  90.5, r2 =  91.5, r3 = 151.5, r4 = 152.5,
 &end

# 43 LEU PHI:  (42 ARG C)-(43 LEU N)-(43 LEU CA)-(43 LEU C) -144.8 -84.8
 &rst     iat =   678,   680,   682,   697,
   r1 = -145.8, r2 = -144.8, r3 = -84.8, r4 = -83.8,
 &end

# 43 LEU PSI:  (43 LEU N)-(43 LEU CA)-(43 LEU C)-(44 ILE N) 107.9 167.9
 &rst     iat =   680,   682,   697,   699,
   r1 = 106.9, r2 = 107.9, r3 = 167.9, r4 = 168.9,
 &end

# 44 ILE PHI:  (43 LEU C)-(44 ILE N)-(44 ILE CA)-(44 ILE C) -156.1 -96.1
 &rst     iat =   697,   699,   701,   716,
   r1 = -157.1, r2 = -156.1, r3 = -96.1, r4 = -95.1,
 &end

# 44 ILE PSI:  (44 ILE N)-(44 ILE CA)-(44 ILE C)-(45 PHE N) 102.7 162.7
 &rst     iat =   699,   701,   716,   718,
   r1 = 101.7, r2 = 102.7, r3 = 162.7, r4 = 163.7,
 &end

# 45 PHE PHI:  (44 ILE C)-(45 PHE N)-(45 PHE CA)-(45 PHE C) -164.4 -104.4
 &rst     iat =   716,   718,   720,   736,
   r1 = -165.4, r2 = -164.4, r3 = -104.4, r4 = -103.4,
 &end

# 45 PHE PSI:  (45 PHE N)-(45 PHE CA)-(45 PHE C)-(46 ALA N)  93.6 153.6
 &rst     iat =   718,   720,   736,   738,
   r1 =  92.6, r2 =  93.6, r3 = 153.6, r4 = 154.6,
 &end

# 46 ALA PHI:  (45 PHE C)-(46 ALA N)-(46 ALA CA)-(46 ALA C)  26.1  86.1
 &rst     iat =   736,   738,   740,   746,
   r1 =  25.1, r2 =  26.1, r3 =  86.1, r4 =  87.1,
 &end

# 46 ALA PSI:  (46 ALA N)-(46 ALA CA)-(46 ALA C)-(47 GLY N)   6.8  66.8
 &rst     iat =   738,   740,   746,   748,
   r1 =   5.8, r2 =   6.8, r3 =  66.8, r4 =  67.8,
 &end

# 47 GLY PHI:  (46 ALA C)-(47 GLY N)-(47 GLY CA)-(47 GLY C)  45.8 105.8
 &rst     iat =   746,   748,   750,   753,
   r1 =  44.8, r2 =  45.8, r3 = 105.8, r4 = 106.8,
 &end

# 47 GLY PSI:  (47 GLY N)-(47 GLY CA)-(47 GLY C)-(48 LYS N) -22.5  37.5
 &rst     iat =   748,   750,   753,   755,
   r1 = -23.5, r2 = -22.5, r3 =  37.5, r4 =  38.5,
 &end

# 48 LYS PHI:  (47 GLY C)-(48 LYS N)-(48 LYS CA)-(48 LYS C) -144.3 -84.3
 &rst     iat =   753,   755,   757,   775,
   r1 = -145.3, r2 = -144.3, r3 = -84.3, r4 = -83.3,
 &end

# 48 LYS PSI:  (48 LYS N)-(48 LYS CA)-(48 LYS C)-(49 GLN N) 118.5 178.5
 &rst     iat =   755,   757,   775,   777,
   r1 = 117.5, r2 = 118.5, r3 = 178.5, r4 = 179.5,
 &end

# 54 ARG PHI:  (53 GLY C)-(54 ARG N)-(54 ARG CA)-(54 ARG C) -141.1 -81.1
 &rst     iat =   845,   847,   849,   869,
   r1 = -142.1, r2 = -141.1, r3 = -81.1, r4 = -80.1,
 &end

# 54 ARG PSI:  (54 ARG N)-(54 ARG CA)-(54 ARG C)-(55 THR N) 128.2 188.2
 &rst     iat =   847,   849,   869,   871,
   r1 = 127.2, r2 = 128.2, r3 = 188.2, r4 = 189.2,
 &end

# 55 THR PHI:  (54 ARG C)-(55 THR N)-(55 THR CA)-(55 THR C) -130.6 -70.6
 &rst     iat =   869,   871,   873,   883,
   r1 = -131.6, r2 = -130.6, r3 = -70.6, r4 = -69.6,
 &end

# 55 THR PSI:  (55 THR N)-(55 THR CA)-(55 THR C)-(56 LEU N) 138.6 198.6
 &rst     iat =   871,   873,   883,   885,
   r1 = 137.6, r2 = 138.6, r3 = 198.6, r4 = 199.6,
 &end

# 56 LEU PHI:  (55 THR C)-(56 LEU N)-(56 LEU CA)-(56 LEU C) -89.9 -29.9
 &rst     iat =   883,   885,   887,   902,
   r1 = -90.9, r2 = -89.9, r3 = -29.9, r4 = -28.9,
 &end

# 56 LEU PSI:  (56 LEU N)-(56 LEU CA)-(56 LEU C)-(57 SER N) -68.0  -8.0
 &rst     iat =   885,   887,   902,   904,
   r1 = -69.0, r2 = -68.0, r3 =  -8.0, r4 =  -7.0,
 &end

# 57 SER PHI:  (56 LEU C)-(57 SER N)-(57 SER CA)-(57 SER C) -94.1 -34.1
 &rst     iat =   902,   904,   906,   913,
   r1 = -95.1, r2 = -94.1, r3 = -34.1, r4 = -33.1,
 &end

# 57 SER PSI:  (57 SER N)-(57 SER CA)-(57 SER C)-(58 ASP N) -67.4  -7.4
 &rst     iat =   904,   906,   913,   915,
   r1 = -68.4, r2 = -67.4, r3 =  -7.4, r4 =  -6.4,
 &end

# 58 ASP PHI:  (57 SER C)-(58 ASP N)-(58 ASP CA)-(58 ASP C) -93.7 -33.7
 &rst     iat =   913,   915,   917,   925,
   r1 = -94.7, r2 = -93.7, r3 = -33.7, r4 = -32.7,
 &end

# 58 ASP PSI:  (58 ASP N)-(58 ASP CA)-(58 ASP C)-(59 TYR N) -61.4  -1.4
 &rst     iat =   915,   917,   925,   927,
   r1 = -62.4, r2 = -61.4, r3 =  -1.4, r4 =  -0.4,
 &end

# 59 TYR PHI:  (58 ASP C)-(59 TYR N)-(59 TYR CA)-(59 TYR C) -126.0 -66.0
 &rst     iat =   925,   927,   929,   946,
   r1 = -127.0, r2 = -126.0, r3 = -66.0, r4 = -65.0,
 &end

# 59 TYR PSI:  (59 TYR N)-(59 TYR CA)-(59 TYR C)-(60 ASN N) -30.0  30.0
 &rst     iat =   927,   929,   946,   948,
   r1 = -31.0, r2 = -30.0, r3 =  30.0, r4 =  31.0,
 &end

# 65 SER PHI:  (64 GLU C)-(65 SER N)-(65 SER CA)-(65 SER C) -169.0 -109.0
 &rst     iat =  1033,  1035,  1037,  1044,
   r1 = -170.0, r2 = -169.0, r3 = -109.0, r4 = -108.0,
 &end

# 65 SER PSI:  (65 SER N)-(65 SER CA)-(65 SER C)-(66 THR N) 105.0 165.0
 &rst     iat =  1035,  1037,  1044,  1046,
   r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
 &end

# 66 THR PHI:  (65 SER C)-(66 THR N)-(66 THR CA)-(66 THR C) -141.8 -81.8
 &rst     iat =  1044,  1046,  1048,  1058,
   r1 = -142.8, r2 = -141.8, r3 = -81.8, r4 = -80.8,
 &end

# 66 THR PSI:  (66 THR N)-(66 THR CA)-(66 THR C)-(67 LEU N)  88.7 148.7
 &rst     iat =  1046,  1048,  1058,  1060,
   r1 =  87.7, r2 =  88.7, r3 = 148.7, r4 = 149.7,
 &end

# 67 LEU PHI:  (66 THR C)-(67 LEU N)-(67 LEU CA)-(67 LEU C) -145.2 -85.2
 &rst     iat =  1058,  1060,  1062,  1077,
   r1 = -146.2, r2 = -145.2, r3 = -85.2, r4 = -84.2,
 &end

# 67 LEU PSI:  (67 LEU N)-(67 LEU CA)-(67 LEU C)-(68 HIE N) 112.5 172.5
 &rst     iat =  1060,  1062,  1077,  1079,
   r1 = 111.5, r2 = 112.5, r3 = 172.5, r4 = 173.5,
 &end

# 68 HIS PHI:  (67 LEU C)-(68 HIE N)-(68 HIE CA)-(68 HIE C) -152.9 -92.9
 &rst     iat =  1077,  1079,  1081,  1094,
   r1 = -153.9, r2 = -152.9, r3 = -92.9, r4 = -91.9,
 &end

# 68 HIS PSI:  (68 HIE N)-(68 HIE CA)-(68 HIE C)-(69 LEU N) 113.3 173.4
 &rst     iat =  1079,  1081,  1094,  1096,
   r1 = 112.3, r2 = 113.3, r3 = 173.4, r4 = 174.4,
 &end

# 69 LEU PHI:  (68 HIE C)-(69 LEU N)-(69 LEU CA)-(69 LEU C) -146.2 -86.2
 &rst     iat =  1094,  1096,  1098,  1113,
   r1 = -147.2, r2 = -146.2, r3 = -86.2, r4 = -85.2,
 &end

# 69 LEU PSI:  (69 LEU N)-(69 LEU CA)-(69 LEU C)-(70 VAL N)  98.2 158.2
 &rst     iat =  1096,  1098,  1113,  1115,
   r1 =  97.2, r2 =  98.2, r3 = 158.2, r4 = 159.2,
 &end

# 70 VAL PHI:  (69 LEU C)-(70 VAL N)-(70 VAL CA)-(70 VAL C) -155.8 -95.8
 &rst     iat =  1113,  1115,  1117,  1129,
   r1 = -156.8, r2 = -155.8, r3 = -95.8, r4 = -94.8,
 &end

# 70 VAL PSI:  (70 VAL N)-(70 VAL CA)-(70 VAL C)-(71 LEU N) 106.8 166.8
 &rst     iat =  1115,  1117,  1129,  1131,
   r1 = 105.8, r2 = 106.8, r3 = 166.8, r4 = 167.8,
 &end

# 71 LEU PHI:  (70 VAL C)-(71 LEU N)-(71 LEU CA)-(71 LEU C) -115.5 -55.5
 &rst     iat =  1129,  1131,  1133,  1148,
   r1 = -116.5, r2 = -115.5, r3 = -55.5, r4 = -54.5,
 &end

# 71 LEU PSI:  (71 LEU N)-(71 LEU CA)-(71 LEU C)-(72 ARG N) 106.9 166.9
 &rst     iat =  1131,  1133,  1148,  1150,
   r1 = 105.9, r2 = 106.9, r3 = 166.9, r4 = 167.9,
 &end

#
#   44 ILE  QG2          68 HIS  HE1         5.50    (#      0:65  Unique         5.22, 6.83 A)
 &rst
  ixpk= 0, nxpk= 65, iat=  -1,1089, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr1= 706, 707, 708,
 &end
#
#   66 THR  QG2          68 HIS  HE1         4.50    (#      1:65  Unique         3.87, 5.02 A)
 &rst
  ixpk= 1, nxpk= 65, iat=  -1,1089, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1053,1054,1055,
 &end
#
#    6 LYS  HB+          68 HIS  HE1         5.50    (#      2:65  Unique         2.70, 4.03 A)
 &rst
  ixpk= 2, nxpk= 65, iat=  -1,1089, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  97,  98,
 &end
#
#    0 AMB  65-3:3       68 HIS  HE1         5.50    (#      3:65  Single Ambig)
 &rst
  ixpk= 3, nxpk= 65, iat=  -1,1089, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 103, 104, 103, 104,
 &end
#
#   68 HIS  HB-          68 HIS  HE1         5.50    (#      6:65  Unique         4.72, 5.10 A)
 &rst
  ixpk= 6, nxpk= 65, iat=  -1,1089, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1084,1085,
 &end
#
#    0 AMB  65-3:7       68 HIS  HE1         5.50    (#      7:65  Single Ambig)
 &rst
  ixpk= 7, nxpk= 65, iat=  -1,1089, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 106, 107, 106, 107,
 &end
#
#    8 LEU  HA           68 HIS  HE1         7.00    (#      8:65  Unique         5.52, 5.68 A)
 &rst
  ixpk= 8, nxpk= 65, iat= 131,1089, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   68 HIS  HD2          68 HIS  HE1         5.50    (#      9:65  Unique         4.24, 4.24 A)
 &rst
  ixpk= 9, nxpk= 65, iat=1093,1089, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  65-3:10      68 HIS  HD2         4.50    (#     10:65  Single Ambig)
 &rst
  ixpk= 10, nxpk= 65, iat=  -1,1093, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 706, 707, 708, 713, 714, 715,
 &end
#
#   70 VAL  QG-          68 HIS  HD2         4.50    (#     11:65  Unique         3.90, 5.95 A)
 &rst
  ixpk= 11, nxpk= 65, iat=  -1,1093, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1122,1123,1124,1126,1127,1128,
 &end
#
#    0 AMB  65-3:12      68 HIS  HD2         5.50    (#     12:65  Single Ambig)
 &rst
  ixpk= 12, nxpk= 65, iat=  -1,1093, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  97,  98, 710, 711, 100, 101,
 &end
#
#    0 AMB  65-3:13      68 HIS  HD2         5.50    (#     13:65  Single Ambig)
 &rst
  ixpk= 13, nxpk= 65, iat=  -1,1093, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=  97,  98,1101,1102, 103, 104, 103, 104,
 &end
#
#    8 LEU  HG           68 HIS  HD2         5.50    (#     14:65  Unique         2.72, 3.68 A)
 &rst
  ixpk= 14, nxpk= 65, iat= 136,1093, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   68 HIS  HB-          68 HIS  HD2         5.50    (#     15:65  Unique         2.69, 3.23 A)
 &rst
  ixpk= 15, nxpk= 65, iat=  -1,1093, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1084,1085,
 &end
#
#   68 HIS  HB+          68 HIS  HD2         4.50    (#     16:65  Unique         2.69, 3.23 A)
 &rst
  ixpk= 16, nxpk= 65, iat=  -1,1093, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1084,1085,
 &end
#
#   68 HIS  HA           68 HIS  HD2         4.50    (#     17:65  Unique         3.12, 3.96 A)
 &rst
  ixpk= 17, nxpk= 65, iat=1082,1093, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   69 LEU  HN           68 HIS  HD2         5.50    (#     18:65  Unique         3.25, 4.50 A)
 &rst
  ixpk= 18, nxpk= 65, iat=1097,1093, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  65-3:19      68 HIS  HD2         5.50    (#     19:65  Single Ambig)
 &rst
  ixpk= 19, nxpk= 65, iat=  -1,1093, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 129,1080,
 &end
#
#   50 LEU  QD-           0 AMB  65-1:20     4.50    (#     20:65  Single Ambig)
 &rst
  ixpk= 20, nxpk= 65, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 804, 805, 806, 808, 809, 810,
 igr2= 943, 938,
 &end
#
#   23 ILE  QD1          59 TYR  HE1         3.50    (#     21:65  Unique         2.28, 3.13 A)
 &rst
  ixpk= 21, nxpk= 65, iat=  -1, 938, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 367, 368, 369,
 &end
#
#    0 AMB  65-3:22      59 TYR  HE1         5.50    (#     22:65  Single Ambig)
 &rst
  ixpk= 22, nxpk= 65, iat=  -1, 938, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 360, 361, 362, 895, 896, 897, 899, 900, 901,
 &end
#
#   50 LEU  HB-          59 TYR  HE1         4.50    (#     23:65  Unique         2.52, 3.43 A)
 &rst
  ixpk= 23, nxpk= 65, iat=  -1, 938, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 799, 800,
 &end
#
#   23 ILE  HG1-         59 TYR  HE1         4.50    (#     24:65  Unique         2.10, 2.27 A)
 &rst
  ixpk= 24, nxpk= 65, iat=  -1, 938, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 364, 365,
 &end
#
#    0 AMB  65-3:25      59 TYR  HE2         3.50    (#     25:65  Single Ambig)
 &rst
  ixpk= 25, nxpk= 65, iat=  -1, 943, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 763, 764, 763, 764, 802,
 &end
#
#    0 AMB  65-3:26      59 TYR  HE2         3.50    (#     26:65  Single Ambig)
 &rst
  ixpk= 26, nxpk= 65, iat=  -1, 943, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 766, 767, 766, 767, 760, 761, 760, 761,
 &end
#
#   54 ARG  HB-          59 TYR  HE1         3.50    (#     27:65  Unique         1.90, 2.12 A)
 &rst
  ixpk= 27, nxpk= 65, iat=  -1, 938, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 852, 853,
 &end
#
#   54 ARG  HB+          59 TYR  HE1         3.50    (#     28:65  Unique         1.90, 2.12 A)
 &rst
  ixpk= 28, nxpk= 65, iat=  -1, 938, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 852, 853,
 &end
#
#    0 AMB  65-3:29       0 AMB  65-1:29     4.50    (#     29:65  Double Ambig)
 &rst
  ixpk= 29, nxpk= 65, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 358, 932, 933, 932, 933,
 igr2= 938, 943,
 &end
#
#   54 ARG  HD-           0 AMB  65-1:30     4.50    (#     30:65  Single Ambig)
 &rst
  ixpk= 30, nxpk= 65, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 858, 859,
 igr2= 938, 943,
 &end
#
#   59 TYR  HB-           0 AMB  65-1:31     5.50    (#     31:65  Single Ambig)
 &rst
  ixpk= 31, nxpk= 65, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 932, 933,
 igr2= 938, 943,
 &end
#
#   50 LEU  HA            0 AMB  65-1:32     4.50    (#     32:65  Single Ambig)
 &rst
  ixpk= 32, nxpk= 65, iat= 797,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 943, 938,
 &end
#
#    0 AMB  65-3:33       0 AMB  65-1:33     4.50    (#     33:65  Double Ambig)
 &rst
  ixpk= 33, nxpk= 65, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 850, 930,
 igr2= 938, 943,
 &end
#
#   51 GLU  HN           59 TYR  HE1         3.50    (#     34:65  Unique         2.75, 2.89 A)
 &rst
  ixpk= 34, nxpk= 65, iat= 814, 938, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   55 THR  HN           59 TYR  HE1         5.50    (#     35:65  Unique         3.44, 3.53 A)
 &rst
  ixpk= 35, nxpk= 65, iat= 872, 938, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   50 LEU  QD-           0 AMB  65-1:36     4.50    (#     36:65  Single Ambig)
 &rst
  ixpk= 36, nxpk= 65, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 804, 805, 806, 808, 809, 810,
 igr2= 936, 945,
 &end
#
#    0 AMB  65-3:37       0 AMB  65-1:37     3.50    (#     37:65  Double Ambig)
 &rst
  ixpk= 37, nxpk= 65, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 367, 368, 369, 804, 805, 806, 808, 809, 810, 804,
       805, 806, 808, 809, 810,
 igr2= 936, 945,
 &end
#
#    0 AMB  65-3:38       0 AMB  65-1:38     5.50    (#     38:65  Double Ambig)
 &rst
  ixpk= 38, nxpk= 65, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 973, 974, 973, 974,
 igr2= 936, 945,
 &end
#
#   23 ILE  HG1-         59 TYR  HD1         7.00    (#     39:65  Unique         3.81, 4.00 A)
 &rst
  ixpk= 39, nxpk= 65, iat=  -1, 936, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 364, 365,
 &end
#
#    0 AMB  65-3:40      59 TYR  HD2         5.50    (#     40:65  Single Ambig)
 &rst
  ixpk= 40, nxpk= 65, iat=  -1, 945, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 763, 764, 763, 764, 802,
 &end
#
#    0 AMB  65-3:41      59 TYR  HD2         4.50    (#     41:65  Single Ambig)
 &rst
  ixpk= 41, nxpk= 65, iat=  -1, 945, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 766, 767, 766, 767,
 &end
#
#   54 ARG  HB-          59 TYR  HD1         5.50    (#     42:65  Unique         3.67, 3.98 A)
 &rst
  ixpk= 42, nxpk= 65, iat=  -1, 936, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 852, 853,
 &end
#
#   54 ARG  HB+          59 TYR  HD1         5.50    (#     43:65  Unique         3.67, 3.98 A)
 &rst
  ixpk= 43, nxpk= 65, iat=  -1, 936, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 852, 853,
 &end
#
#    0 AMB  65-3:44       0 AMB  65-1:44     3.50    (#     44:65  Double Ambig)
 &rst
  ixpk= 44, nxpk= 65, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 932, 933, 932, 933,
 igr2= 936, 945,
 &end
#
#    0 AMB  65-3:45       0 AMB  65-1:45     5.50    (#     45:65  Double Ambig)
 &rst
  ixpk= 45, nxpk= 65, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 920, 921, 858, 859,
 igr2= 936, 945,
 &end
#
#   59 TYR  HB-           0 AMB  65-1:46     3.50    (#     46:65  Single Ambig)
 &rst
  ixpk= 46, nxpk= 65, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 932, 933,
 igr2= 936, 945,
 &end
#
#    0 AMB  65-3:47       0 AMB  65-1:47     4.50    (#     47:65  Double Ambig)
 &rst
  ixpk= 47, nxpk= 65, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 888, 797,
 igr2= 936, 945,
 &end
#
#   59 TYR  HA           59 TYR  HD2         3.50    (#     48:65  Unique         2.65, 2.71 A)
 &rst
  ixpk= 48, nxpk= 65, iat= 930, 945, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  65-3:49       0 AMB  65-1:49     3.50    (#     49:65  Double Ambig)
 &rst
  ixpk= 49, nxpk= 65, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 943, 938,
 igr2= 945, 936,
 &end
#
#    0 AMB  65-3:50       0 AMB  65-1:50     5.50    (#     50:65  Double Ambig)
 &rst
  ixpk= 50, nxpk= 65, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 886, 949,
 igr2= 936, 945,
 &end
#
#   23 ILE  HN           59 TYR  HD1         5.50    (#     51:65  Unique         5.19, 5.30 A)
 &rst
  ixpk= 51, nxpk= 65, iat= 354, 936, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   66 THR  QG2           4 PHE  HD1         5.50    (#     53:65  Unique         3.85, 4.71 A)
 &rst
  ixpk= 53, nxpk= 65, iat=  -1,  65, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1053,1054,1055,
 &end
#
#   12 THR  QG2           0 AMB  65-1:54     4.50    (#     54:65  Single Ambig)
 &rst
  ixpk= 54, nxpk= 65, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 197, 198, 199,
 igr2=  73,  65,
 &end
#
#    0 AMB  65-3:55       0 AMB  65-1:55     5.50    (#     55:65  Double Ambig)
 &rst
  ixpk= 55, nxpk= 65, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  28,  29,1028,1029,1028,1029,
 igr2=  73,  65,
 &end
#
#    0 AMB  65-3:56       0 AMB  65-1:56     5.50    (#     56:65  Double Ambig)
 &rst
  ixpk= 56, nxpk= 65, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1025,1026,1025,1026,
 igr2=  65,  73,
 &end
#
#    0 AMB  65-3:57       0 AMB  65-1:57     3.50    (#     57:65  Double Ambig)
 &rst
  ixpk= 57, nxpk= 65, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=  61,  62,  61,  62,
 igr2=  65,  73,
 &end
#
#    4 PHE  HB-           0 AMB  65-1:58     3.50    (#     58:65  Single Ambig)
 &rst
  ixpk= 58, nxpk= 65, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  61,  62,
 igr2=  65,  73,
 &end
#
#   64 GLU  HA            0 AMB  65-1:59     4.50    (#     59:65  Single Ambig)
 &rst
  ixpk= 59, nxpk= 65, iat=1023,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  65,  73,
 &end
#
#   66 THR  HB            4 PHE  HD1         4.50    (#     60:65  Unique         4.00, 4.26 A)
 &rst
  ixpk= 60, nxpk= 65, iat=1051,  65, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   14 THR  HA            4 PHE  HD2         4.50    (#     61:65  Unique         2.95, 3.08 A)
 &rst
  ixpk= 61, nxpk= 65, iat= 226,  73, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   66 THR  HA            4 PHE  HD1         4.50    (#     62:65  Unique         2.81, 3.04 A)
 &rst
  ixpk= 62, nxpk= 65, iat=1049,  65, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    4 PHE  HA            4 PHE  HD2         3.50    (#     63:65  Unique         2.51, 2.57 A)
 &rst
  ixpk= 63, nxpk= 65, iat=  59,  73, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    4 PHE  HN            0 AMB  65-1:64     4.50    (#     64:65  Single Ambig)
 &rst
  ixpk= 64, nxpk= 65, iat=  57,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  65,  73,
 &end
#
#    0 AMB  65-3:65       0 AMB  65-1:65     5.50    (#     65:65  Double Ambig)
 &rst
  ixpk= 65, nxpk= 65, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  77,1061,
 igr2=  73,  65,
 &end
#
#   14 THR  QG2           4 PHE  HE1         5.50    (#     66:65  Unique         6.06, 6.66 A)
 &rst
  ixpk= 66, nxpk= 65, iat=  -1,  67, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 230, 231, 232,
 &end
#
#    0 AMB  65-3:67       4 PHE  HE1         3.50    (#     67:65  Single Ambig)
 &rst
  ixpk= 67, nxpk= 65, iat=  -1,  67, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1028,1029,1028,1029,
 &end
#
#   64 GLU  HB+           4 PHE  HE1         4.50    (#     68:65  Unique         2.41, 3.24 A)
 &rst
  ixpk= 68, nxpk= 65, iat=  -1,  67, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1025,1026,
 &end
#
#   64 GLU  HA            4 PHE  HE1         4.50    (#     69:65  Unique         3.23, 3.26 A)
 &rst
  ixpk= 69, nxpk= 65, iat=1023,  67, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    2 GLN  HE2-          4 PHE  HE1         5.50    (#     70:65  Unique         5.86, 6.07 A)
 &rst
  ixpk= 70, nxpk= 65, iat=  -1,  67, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  33,  34,
 &end
#
#   65 SER  HN            4 PHE  HE1         5.50    (#     71:65  Unique         4.43, 4.52 A)
 &rst
  ixpk= 71, nxpk= 65, iat=1036,  67, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   64 GLU  HN            4 PHE  HE1         5.50    (#     72:65  Unique         5.43, 5.46 A)
 &rst
  ixpk= 72, nxpk= 65, iat=1021,  67, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   50 LEU  QD-           0 AMB  65-1:73     5.50    (#     73:65  Single Ambig)
 &rst
  ixpk= 73, nxpk= 65, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 804, 805, 806, 808, 809, 810,
 igr2= 735, 727,
 &end
#
#   61 ILE  QD1           0 AMB  65-1:74     4.50    (#     74:65  Single Ambig)
 &rst
  ixpk= 74, nxpk= 65, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 976, 977, 978,
 igr2= 735, 727,
 &end
#
#    0 AMB  65-3:75      45 PHE  HD1         4.50    (#     75:65  Single Ambig)
 &rst
  ixpk= 75, nxpk= 65, iat=  -1, 727, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1070,1071,1072,1074,1075,1076,1070,1071,1072,1074,
      1075,1076,
 &end
#
#    0 AMB  65-3:76       0 AMB  65-1:76     4.50    (#     76:65  Double Ambig)
 &rst
  ixpk= 76, nxpk= 65, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 743, 744, 745,1053,1054,1055,
 igr2= 735, 727,
 &end
#
#    0 AMB  65-3:77       0 AMB  65-1:77     5.50    (#     77:65  Double Ambig)
 &rst
  ixpk= 77, nxpk= 65, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 973, 974, 973, 974,
 igr2= 735, 727,
 &end
#
#   67 LEU  HG           45 PHE  HD1         5.50    (#     78:65  Unique         3.75, 4.00 A)
 &rst
  ixpk= 78, nxpk= 65, iat=1068, 727, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   45 PHE  HB-           0 AMB  65-1:79     4.50    (#     79:65  Single Ambig)
 &rst
  ixpk= 79, nxpk= 65, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 723, 724,
 igr2= 735, 727,
 &end
#
#    0 AMB  65-3:80       0 AMB  65-1:80     4.50    (#     80:65  Double Ambig)
 &rst
  ixpk= 80, nxpk= 65, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 723, 724, 723, 724,
 igr2= 735, 727,
 &end
#
#    0 AMB  65-3:81      45 PHE  HD2         5.50    (#     81:65  Single Ambig)
 &rst
  ixpk= 81, nxpk= 65, iat=  -1, 735, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 953, 954, 965,
 &end
#
#   59 TYR  HB-          45 PHE  HD2         5.50    (#     82:65  Unique         2.28, 3.20 A)
 &rst
  ixpk= 82, nxpk= 65, iat=  -1, 735, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 932, 933,
 &end
#
#   67 LEU  HA           45 PHE  HD1         4.50    (#     83:65  Unique         2.18, 2.28 A)
 &rst
  ixpk= 83, nxpk= 65, iat=1063, 727, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   45 PHE  HA           45 PHE  HD1         4.50    (#     84:65  Unique         2.10, 2.19 A)
 &rst
  ixpk= 84, nxpk= 65, iat= 721, 727, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  65-3:85       0 AMB  65-1:85     5.50    (#     85:65  Double Ambig)
 &rst
  ixpk= 85, nxpk= 65, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 739, 719,
 igr2= 727, 735,
 &end
#
#   61 ILE  HG1-         45 PHE  HZ          5.50    (#     86:65  Unique         3.56, 3.82 A)
 &rst
  ixpk= 86, nxpk= 65, iat=  -1, 731, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 973, 974,
 &end
#
#    0 AMB  65-3:87      45 PHE  HZ          4.50    (#     87:65  Single Ambig)
 &rst
  ixpk= 87, nxpk= 65, iat=  -1, 731, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 976, 977, 978, 969, 970, 971,
 &end
#
#    0 AMB  65-3:88      45 PHE  HZ          5.50    (#     88:65  Single Ambig)
 &rst
  ixpk= 88, nxpk= 65, iat=  -1, 731, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1070,1071,1072,1074,1075,1076,1070,1071,1072,1074,
      1075,1076,
 &end
#
#    0 AMB  65-3:89      45 PHE  HZ          4.50    (#     89:65  Single Ambig)
 &rst
  ixpk= 89, nxpk= 65, iat=  -1, 731, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 743, 744, 745,1053,1054,1055,
 &end
#
#   61 ILE  HG1+         45 PHE  HZ          5.50    (#     90:65  Unique         3.56, 3.82 A)
 &rst
  ixpk= 90, nxpk= 65, iat=  -1, 731, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 973, 974,
 &end
#
#   60 ASN  HB-          45 PHE  HZ          5.50    (#     91:65  Unique         3.99, 4.68 A)
 &rst
  ixpk= 91, nxpk= 65, iat=  -1, 731, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 953, 954,
 &end
#
#    0 AMB  65-3:92      45 PHE  HZ          4.50    (#     92:65  Single Ambig)
 &rst
  ixpk= 92, nxpk= 65, iat=  -1, 731, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 965, 953, 954,
 &end
#
#   65 SER  HB-          45 PHE  HZ          5.50    (#     93:65  Unique         4.26, 4.96 A)
 &rst
  ixpk= 93, nxpk= 65, iat=  -1, 731, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1040,1041,
 &end
#
#   65 SER  HB+          45 PHE  HZ          4.50    (#     94:65  Unique         4.26, 4.96 A)
 &rst
  ixpk= 94, nxpk= 65, iat=  -1, 731, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1040,1041,
 &end
#
#    0 AMB  65-3:95       0 AMB  65-1:95     5.50    (#     95:65  Double Ambig)
 &rst
  ixpk= 95, nxpk= 65, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 976, 977, 978, 969, 970, 971,
 igr2= 733, 729,
 &end
#
#    0 AMB  65-3:96      45 PHE  HE1         4.50    (#     96:65  Single Ambig)
 &rst
  ixpk= 96, nxpk= 65, iat=  -1, 729, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1070,1071,1072,1074,1075,1076,1070,1071,1072,1074,
      1075,1076,
 &end
#
#    0 AMB  65-3:97       0 AMB  65-1:97     5.50    (#     97:65  Double Ambig)
 &rst
  ixpk= 97, nxpk= 65, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 743, 744, 745,1053,1054,1055,
 igr2= 733, 729,
 &end
#
#    0 AMB  65-3:98       0 AMB  65-1:98     5.50    (#     98:65  Double Ambig)
 &rst
  ixpk= 98, nxpk= 65, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 973, 974, 973, 974,
 igr2= 733, 729,
 &end
#
#    0 AMB  65-3:99       0 AMB  65-1:99     7.00    (#     99:65  Double Ambig)
 &rst
  ixpk= 99, nxpk= 65, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1068,  42,
 igr2= 729, 733,
 &end
#
#   45 PHE  HB-           0 AMB  65-1:100    5.50    (#    100:65  Single Ambig)
 &rst
  ixpk= 100, nxpk= 65, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 723, 724,
 igr2= 733, 729,
 &end
#
#    0 AMB  65-3:101      0 AMB  65-1:101    5.50    (#    101:65  Double Ambig)
 &rst
  ixpk= 101, nxpk= 65, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 723, 724, 723, 724,
 igr2= 733, 729,
 &end
#
#   60 ASN  HB+          45 PHE  HE2         5.50    (#    102:65  Unique         2.43, 3.11 A)
 &rst
  ixpk= 102, nxpk= 65, iat=  -1, 733, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 953, 954,
 &end
#
#   65 SER  HB-          45 PHE  HE1         5.50    (#    103:65  Unique         3.50, 4.46 A)
 &rst
  ixpk= 103, nxpk= 65, iat=  -1, 729, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1040,1041,
 &end
#
#   65 SER  HB+          45 PHE  HE1         4.50    (#    104:65  Unique         3.50, 4.46 A)
 &rst
  ixpk= 104, nxpk= 65, iat=  -1, 729, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1040,1041,
 &end
#
#   67 LEU  HA           45 PHE  HE1         5.50    (#    105:65  Unique         3.67, 3.85 A)
 &rst
  ixpk= 105, nxpk= 65, iat=1063, 729, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   45 PHE  HA            0 AMB  65-1:106    5.50    (#    106:65  Single Ambig)
 &rst
  ixpk= 106, nxpk= 65, iat= 721,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 729, 733,
 &end
#
#   66 THR  HN           45 PHE  HE1         5.50    (#    107:65  Unique         2.04, 2.79 A)
 &rst
  ixpk= 107, nxpk= 65, iat=1047, 729, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   14 THR  QG2           4 PHE  HE2         3.50    (#    108:65  Unique         2.15, 3.05 A)
 &rst
  ixpk= 108, nxpk= 65, iat=  -1,  71, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 230, 231, 232,
 &end
#
#    2 GLN  HG-           4 PHE  HE2         5.50    (#    109:65  Unique         2.88, 3.04 A)
 &rst
  ixpk= 109, nxpk= 65, iat=  -1,  71, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  28,  29,
 &end
#
#    0 AMB  65-3:110      4 PHE  HE2         3.50    (#    110:65  Single Ambig)
 &rst
  ixpk= 110, nxpk= 65, iat=  -1,  71, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  28,  29,1028,1029,1028,1029,
 &end
#
#   64 GLU  HB+           4 PHE  HE2         4.50    (#    111:65  Unique         4.64, 5.44 A)
 &rst
  ixpk= 111, nxpk= 65, iat=  -1,  71, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1025,1026,
 &end
#
#    4 PHE  HB-           4 PHE  HE2         5.50    (#    112:65  Unique         4.83, 5.15 A)
 &rst
  ixpk= 112, nxpk= 65, iat=  -1,  71, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  61,  62,
 &end
#
#   64 GLU  HA            4 PHE  HE2         4.50    (#    113:65  Unique         3.68, 3.79 A)
 &rst
  ixpk= 113, nxpk= 65, iat=1023,  71, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    4 PHE  HA            4 PHE  HE2         5.50    (#    114:65  Unique         4.87, 4.92 A)
 &rst
  ixpk= 114, nxpk= 65, iat=  59,  71, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   65 SER  HN            4 PHE  HE2         5.50    (#    115:65  Unique         5.62, 5.69 A)
 &rst
  ixpk= 115, nxpk= 65, iat=1036,  71, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   64 GLU  HN            4 PHE  HE2         5.50    (#    116:65  Unique         5.32, 5.45 A)
 &rst
  ixpk= 116, nxpk= 65, iat=1021,  71, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 THR  QG2           4 PHE  HZ          7.00    (#    117:65  Unique         7.00, 7.74 A)
 &rst
  ixpk= 117, nxpk= 65, iat=  -1,  69, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 197, 198, 199,
 &end
#
#    4 PHE  HB-           4 PHE  HZ          5.50    (#    118:65  Unique         5.78, 5.79 A)
 &rst
  ixpk= 118, nxpk= 65, iat=  -1,  69, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  61,  62,
 &end
#
#    0 AMB  65-3:119      4 PHE  HZ          4.50    (#    119:65  Single Ambig)
 &rst
  ixpk= 119, nxpk= 65, iat=  -1,  69, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  73,  65,
 &end
#
#    4 PHE  HN            4 PHE  HZ          7.00    (#    120:65  Unique         5.29, 5.37 A)
 &rst
  ixpk= 120, nxpk= 65, iat=  57,  69, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &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 = 100., rk3=100.,  &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:  CA CG HB2 HB3
 &rst iat=22,27,25,26, &end
#
#  chirality for residue 2 atoms:  CB CD HG2 HG3
 &rst iat=24,30,28,29, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=20,35,23,24, &end
#
#  chirality for residue 3 atoms:  CA CG2 CG1 HB
 &rst iat=39,43,47,42, &end
#
#  chirality for residue 3 atoms:  CB CD1 HG12 HG13
 &rst iat=41,50,48,49, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=37,54,40,41, &end
#
#  chirality for residue 4 atoms:  CA CG HB2 HB3
 &rst iat=58,63,61,62, &end
#
#  chirality for residue 4 atoms:  N C HA CB
 &rst iat=56,74,59,60, &end
#
#  chirality for residue 5 atoms:  CA CG1 CG2 HB
 &rst iat=78,82,86,81, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=76,90,79,80, &end
#
#  chirality for residue 6 atoms:  CA CG HB2 HB3
 &rst iat=94,99,97,98, &end
#
#  chirality for residue 6 atoms:  CB CD HG2 HG3
 &rst iat=96,102,100,101, &end
#
#  chirality for residue 6 atoms:  CD NZ HE2 HE3
 &rst iat=102,108,106,107, &end
#
#  chirality for residue 6 atoms:  CG CE HD2 HD3
 &rst iat=99,105,103,104, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=92,112,95,96, &end
#
#  chirality for residue 7 atoms:  CA CG2 OG1 HB
 &rst iat=116,120,124,119, &end
#
#  chirality for residue 7 atoms:  N C HA CB
 &rst iat=114,126,117,118, &end
#
#  chirality for residue 8 atoms:  CA CG HB2 HB3
 &rst iat=130,135,133,134, &end
#
#  chirality for residue 8 atoms:  CB CD1 CD2 HG
 &rst iat=132,137,141,136, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=128,145,131,132, &end
#
#  chirality for residue 9 atoms:  CA CG2 OG1 HB
 &rst iat=149,153,157,152, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=147,159,150,151, &end
#
#  chirality for residue 10 atoms:  N C HA2 HA3
 &rst iat=161,166,164,165, &end
#
#  chirality for residue 11 atoms:  CA CG HB2 HB3
 &rst iat=170,175,173,174, &end
#
#  chirality for residue 11 atoms:  CB CD HG2 HG3
 &rst iat=172,178,176,177, &end
#
#  chirality for residue 11 atoms:  CD NZ HE2 HE3
 &rst iat=178,184,182,183, &end
#
#  chirality for residue 11 atoms:  CG CE HD2 HD3
 &rst iat=175,181,179,180, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=168,188,171,172, &end
#
#  chirality for residue 12 atoms:  CA CG2 OG1 HB
 &rst iat=192,196,200,195, &end
#
#  chirality for residue 12 atoms:  N C HA CB
 &rst iat=190,202,193,194, &end
#
#  chirality for residue 13 atoms:  CA CG2 CG1 HB
 &rst iat=206,210,214,209, &end
#
#  chirality for residue 13 atoms:  CB CD1 HG12 HG13
 &rst iat=208,217,215,216, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=204,221,207,208, &end
#
#  chirality for residue 14 atoms:  CA CG2 OG1 HB
 &rst iat=225,229,233,228, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=223,235,226,227, &end
#
#  chirality for residue 15 atoms:  CA CG HB2 HB3
 &rst iat=239,244,242,243, &end
#
#  chirality for residue 15 atoms:  CB CD1 CD2 HG
 &rst iat=241,246,250,245, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat=237,254,240,241, &end
#
#  chirality for residue 16 atoms:  CA CG HB2 HB3
 &rst iat=258,263,261,262, &end
#
#  chirality for residue 16 atoms:  CB CD HG2 HG3
 &rst iat=260,266,264,265, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=256,269,259,260, &end
#
#  chirality for residue 17 atoms:  CA CG1 CG2 HB
 &rst iat=273,277,281,276, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=271,285,274,275, &end
#
#  chirality for residue 18 atoms:  CA CG HB2 HB3
 &rst iat=289,294,292,293, &end
#
#  chirality for residue 18 atoms:  CB CD HG2 HG3
 &rst iat=291,297,295,296, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=287,300,290,291, &end
#
#  chirality for residue 19 atoms:  CA CG HB2 HB3
 &rst iat=312,306,310,311, &end
#
#  chirality for residue 19 atoms:  CB CD HG2 HG3
 &rst iat=309,303,307,308, &end
#
#  chirality for residue 19 atoms:  CG N HD2 HD3
 &rst iat=306,302,304,305, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=302,314,313,309, &end
#
#  chirality for residue 20 atoms:  CA OG HB2 HB3
 &rst iat=318,323,321,322, &end
#
#  chirality for residue 20 atoms:  N C HA CB
 &rst iat=316,325,319,320, &end
#
#  chirality for residue 21 atoms:  CA CG HB2 HB3
 &rst iat=329,334,332,333, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=327,337,330,331, &end
#
#  chirality for residue 22 atoms:  CA CG2 OG1 HB
 &rst iat=341,345,349,344, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=339,351,342,343, &end
#
#  chirality for residue 23 atoms:  CA CG2 CG1 HB
 &rst iat=355,359,363,358, &end
#
#  chirality for residue 23 atoms:  CB CD1 HG12 HG13
 &rst iat=357,366,364,365, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=353,370,356,357, &end
#
#  chirality for residue 24 atoms:  CA CG HB2 HB3
 &rst iat=374,379,377,378, &end
#
#  chirality for residue 24 atoms:  CB CD HG2 HG3
 &rst iat=376,382,380,381, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=372,385,375,376, &end
#
#  chirality for residue 25 atoms:  CA CG HB2 HB3
 &rst iat=389,394,392,393, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=387,399,390,391, &end
#
#  chirality for residue 26 atoms:  CA CG1 CG2 HB
 &rst iat=403,407,411,406, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=401,415,404,405, &end
#
#  chirality for residue 27 atoms:  CA CG HB2 HB3
 &rst iat=419,424,422,423, &end
#
#  chirality for residue 27 atoms:  CB CD HG2 HG3
 &rst iat=421,427,425,426, &end
#
#  chirality for residue 27 atoms:  CD NZ HE2 HE3
 &rst iat=427,433,431,432, &end
#
#  chirality for residue 27 atoms:  CG CE HD2 HD3
 &rst iat=424,430,428,429, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=417,437,420,421, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat=439,447,442,443, &end
#
#  chirality for residue 29 atoms:  CA CG HB2 HB3
 &rst iat=451,456,454,455, &end
#
#  chirality for residue 29 atoms:  CB CD HG2 HG3
 &rst iat=453,459,457,458, &end
#
#  chirality for residue 29 atoms:  CD NZ HE2 HE3
 &rst iat=459,465,463,464, &end
#
#  chirality for residue 29 atoms:  CG CE HD2 HD3
 &rst iat=456,462,460,461, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=449,469,452,453, &end
#
#  chirality for residue 30 atoms:  CA CG2 CG1 HB
 &rst iat=473,477,481,476, &end
#
#  chirality for residue 30 atoms:  CB CD1 HG12 HG13
 &rst iat=475,484,482,483, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=471,488,474,475, &end
#
#  chirality for residue 31 atoms:  CA CG HB2 HB3
 &rst iat=492,497,495,496, &end
#
#  chirality for residue 31 atoms:  CB CD HG2 HG3
 &rst iat=494,500,498,499, &end
#
#  chirality for residue 31 atoms:  N C HA CB
 &rst iat=490,505,493,494, &end
#
#  chirality for residue 32 atoms:  CA CG HB2 HB3
 &rst iat=509,514,512,513, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=507,517,510,511, &end
#
#  chirality for residue 33 atoms:  CA CG HB2 HB3
 &rst iat=521,526,524,525, &end
#
#  chirality for residue 33 atoms:  CB CD HG2 HG3
 &rst iat=523,529,527,528, &end
#
#  chirality for residue 33 atoms:  CD NZ HE2 HE3
 &rst iat=529,535,533,534, &end
#
#  chirality for residue 33 atoms:  CG CE HD2 HD3
 &rst iat=526,532,530,531, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=519,539,522,523, &end
#
#  chirality for residue 34 atoms:  CA CG HB2 HB3
 &rst iat=543,548,546,547, &end
#
#  chirality for residue 34 atoms:  CB CD HG2 HG3
 &rst iat=545,551,549,550, &end
#
#  chirality for residue 34 atoms:  N C HA CB
 &rst iat=541,554,544,545, &end
#
#  chirality for residue 35 atoms:  N C HA2 HA3
 &rst iat=556,561,559,560, &end
#
#  chirality for residue 36 atoms:  CA CG2 CG1 HB
 &rst iat=565,569,573,568, &end
#
#  chirality for residue 36 atoms:  CB CD1 HG12 HG13
 &rst iat=567,576,574,575, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=563,580,566,567, &end
#
#  chirality for residue 37 atoms:  CA CG HB2 HB3
 &rst iat=592,586,590,591, &end
#
#  chirality for residue 37 atoms:  CB CD HG2 HG3
 &rst iat=589,583,587,588, &end
#
#  chirality for residue 37 atoms:  CG N HD2 HD3
 &rst iat=586,582,584,585, &end
#
#  chirality for residue 37 atoms:  N C HA CB
 &rst iat=582,594,593,589, &end
#
#  chirality for residue 38 atoms:  CA CG HB2 HB3
 &rst iat=606,600,604,605, &end
#
#  chirality for residue 38 atoms:  CB CD HG2 HG3
 &rst iat=603,597,601,602, &end
#
#  chirality for residue 38 atoms:  CG N HD2 HD3
 &rst iat=600,596,598,599, &end
#
#  chirality for residue 38 atoms:  N C HA CB
 &rst iat=596,608,607,603, &end
#
#  chirality for residue 39 atoms:  CA CG HB2 HB3
 &rst iat=612,617,615,616, &end
#
#  chirality for residue 39 atoms:  N C HA CB
 &rst iat=610,620,613,614, &end
#
#  chirality for residue 40 atoms:  CA CG HB2 HB3
 &rst iat=624,629,627,628, &end
#
#  chirality for residue 40 atoms:  CB CD HG2 HG3
 &rst iat=626,632,630,631, &end
#
#  chirality for residue 40 atoms:  N C HA CB
 &rst iat=622,637,625,626, &end
#
#  chirality for residue 41 atoms:  CA CG HB2 HB3
 &rst iat=641,646,644,645, &end
#
#  chirality for residue 41 atoms:  CB CD HG2 HG3
 &rst iat=643,649,647,648, &end
#
#  chirality for residue 41 atoms:  N C HA CB
 &rst iat=639,654,642,643, &end
#
#  chirality for residue 42 atoms:  CA CG HB2 HB3
 &rst iat=658,663,661,662, &end
#
#  chirality for residue 42 atoms:  CB CD HG2 HG3
 &rst iat=660,666,664,665, &end
#
#  chirality for residue 42 atoms:  CG NE HD2 HD3
 &rst iat=663,669,667,668, &end
#
#  chirality for residue 42 atoms:  N C HA CB
 &rst iat=656,678,659,660, &end
#
#  chirality for residue 43 atoms:  CA CG HB2 HB3
 &rst iat=682,687,685,686, &end
#
#  chirality for residue 43 atoms:  CB CD1 CD2 HG
 &rst iat=684,689,693,688, &end
#
#  chirality for residue 43 atoms:  N C HA CB
 &rst iat=680,697,683,684, &end
#
#  chirality for residue 44 atoms:  CA CG2 CG1 HB
 &rst iat=701,705,709,704, &end
#
#  chirality for residue 44 atoms:  CB CD1 HG12 HG13
 &rst iat=703,712,710,711, &end
#
#  chirality for residue 44 atoms:  N C HA CB
 &rst iat=699,716,702,703, &end
#
#  chirality for residue 45 atoms:  CA CG HB2 HB3
 &rst iat=720,725,723,724, &end
#
#  chirality for residue 45 atoms:  N C HA CB
 &rst iat=718,736,721,722, &end
#
#  chirality for residue 46 atoms:  N C HA CB
 &rst iat=738,746,741,742, &end
#
#  chirality for residue 47 atoms:  N C HA2 HA3
 &rst iat=748,753,751,752, &end
#
#  chirality for residue 48 atoms:  CA CG HB2 HB3
 &rst iat=757,762,760,761, &end
#
#  chirality for residue 48 atoms:  CB CD HG2 HG3
 &rst iat=759,765,763,764, &end
#
#  chirality for residue 48 atoms:  CD NZ HE2 HE3
 &rst iat=765,771,769,770, &end
#
#  chirality for residue 48 atoms:  CG CE HD2 HD3
 &rst iat=762,768,766,767, &end
#
#  chirality for residue 48 atoms:  N C HA CB
 &rst iat=755,775,758,759, &end
#
#  chirality for residue 49 atoms:  CA CG HB2 HB3
 &rst iat=779,784,782,783, &end
#
#  chirality for residue 49 atoms:  CB CD HG2 HG3
 &rst iat=781,787,785,786, &end
#
#  chirality for residue 49 atoms:  N C HA CB
 &rst iat=777,792,780,781, &end
#
#  chirality for residue 50 atoms:  CA CG HB2 HB3
 &rst iat=796,801,799,800, &end
#
#  chirality for residue 50 atoms:  CB CD1 CD2 HG
 &rst iat=798,803,807,802, &end
#
#  chirality for residue 50 atoms:  N C HA CB
 &rst iat=794,811,797,798, &end
#
#  chirality for residue 51 atoms:  CA CG HB2 HB3
 &rst iat=815,820,818,819, &end
#
#  chirality for residue 51 atoms:  CB CD HG2 HG3
 &rst iat=817,823,821,822, &end
#
#  chirality for residue 51 atoms:  N C HA CB
 &rst iat=813,826,816,817, &end
#
#  chirality for residue 52 atoms:  CA CG HB2 HB3
 &rst iat=830,835,833,834, &end
#
#  chirality for residue 52 atoms:  N C HA CB
 &rst iat=828,838,831,832, &end
#
#  chirality for residue 53 atoms:  N C HA2 HA3
 &rst iat=840,845,843,844, &end
#
#  chirality for residue 54 atoms:  CA CG HB2 HB3
 &rst iat=849,854,852,853, &end
#
#  chirality for residue 54 atoms:  CB CD HG2 HG3
 &rst iat=851,857,855,856, &end
#
#  chirality for residue 54 atoms:  CG NE HD2 HD3
 &rst iat=854,860,858,859, &end
#
#  chirality for residue 54 atoms:  N C HA CB
 &rst iat=847,869,850,851, &end
#
#  chirality for residue 55 atoms:  CA CG2 OG1 HB
 &rst iat=873,877,881,876, &end
#
#  chirality for residue 55 atoms:  N C HA CB
 &rst iat=871,883,874,875, &end
#
#  chirality for residue 56 atoms:  CA CG HB2 HB3
 &rst iat=887,892,890,891, &end
#
#  chirality for residue 56 atoms:  CB CD1 CD2 HG
 &rst iat=889,894,898,893, &end
#
#  chirality for residue 56 atoms:  N C HA CB
 &rst iat=885,902,888,889, &end
#
#  chirality for residue 57 atoms:  CA OG HB2 HB3
 &rst iat=906,911,909,910, &end
#
#  chirality for residue 57 atoms:  N C HA CB
 &rst iat=904,913,907,908, &end
#
#  chirality for residue 58 atoms:  CA CG HB2 HB3
 &rst iat=917,922,920,921, &end
#
#  chirality for residue 58 atoms:  N C HA CB
 &rst iat=915,925,918,919, &end
#
#  chirality for residue 59 atoms:  CA CG HB2 HB3
 &rst iat=929,934,932,933, &end
#
#  chirality for residue 59 atoms:  N C HA CB
 &rst iat=927,946,930,931, &end
#
#  chirality for residue 60 atoms:  CA CG HB2 HB3
 &rst iat=950,955,953,954, &end
#
#  chirality for residue 60 atoms:  N C HA CB
 &rst iat=948,960,951,952, &end
#
#  chirality for residue 61 atoms:  CA CG2 CG1 HB
 &rst iat=964,968,972,967, &end
#
#  chirality for residue 61 atoms:  CB CD1 HG12 HG13
 &rst iat=966,975,973,974, &end
#
#  chirality for residue 61 atoms:  N C HA CB
 &rst iat=962,979,965,966, &end
#
#  chirality for residue 62 atoms:  CA CG HB2 HB3
 &rst iat=983,988,986,987, &end
#
#  chirality for residue 62 atoms:  CB CD HG2 HG3
 &rst iat=985,991,989,990, &end
#
#  chirality for residue 62 atoms:  N C HA CB
 &rst iat=981,996,984,985, &end
#
#  chirality for residue 63 atoms:  CA CG HB2 HB3
 &rst iat=1000,1005,1003,1004, &end
#
#  chirality for residue 63 atoms:  CB CD HG2 HG3
 &rst iat=1002,1008,1006,1007, &end
#
#  chirality for residue 63 atoms:  CD NZ HE2 HE3
 &rst iat=1008,1014,1012,1013, &end
#
#  chirality for residue 63 atoms:  CG CE HD2 HD3
 &rst iat=1005,1011,1009,1010, &end
#
#  chirality for residue 63 atoms:  N C HA CB
 &rst iat=998,1018,1001,1002, &end
#
#  chirality for residue 64 atoms:  CA CG HB2 HB3
 &rst iat=1022,1027,1025,1026, &end
#
#  chirality for residue 64 atoms:  CB CD HG2 HG3
 &rst iat=1024,1030,1028,1029, &end
#
#  chirality for residue 64 atoms:  N C HA CB
 &rst iat=1020,1033,1023,1024, &end
#
#  chirality for residue 65 atoms:  CA OG HB2 HB3
 &rst iat=1037,1042,1040,1041, &end
#
#  chirality for residue 65 atoms:  N C HA CB
 &rst iat=1035,1044,1038,1039, &end
#
#  chirality for residue 66 atoms:  CA CG2 OG1 HB
 &rst iat=1048,1052,1056,1051, &end
#
#  chirality for residue 66 atoms:  N C HA CB
 &rst iat=1046,1058,1049,1050, &end
#
#  chirality for residue 67 atoms:  CA CG HB2 HB3
 &rst iat=1062,1067,1065,1066, &end
#
#  chirality for residue 67 atoms:  CB CD1 CD2 HG
 &rst iat=1064,1069,1073,1068, &end
#
#  chirality for residue 67 atoms:  N C HA CB
 &rst iat=1060,1077,1063,1064, &end
#
#  chirality for residue 68 atoms:  CA CG HB2 HB3
 &rst iat=1081,1086,1084,1085, &end
#
#  chirality for residue 68 atoms:  N C HA CB
 &rst iat=1079,1094,1082,1083, &end
#
#  chirality for residue 69 atoms:  CA CG HB2 HB3
 &rst iat=1098,1103,1101,1102, &end
#
#  chirality for residue 69 atoms:  CB CD1 CD2 HG
 &rst iat=1100,1105,1109,1104, &end
#
#  chirality for residue 69 atoms:  N C HA CB
 &rst iat=1096,1113,1099,1100, &end
#
#  chirality for residue 70 atoms:  CA CG1 CG2 HB
 &rst iat=1117,1121,1125,1120, &end
#
#  chirality for residue 70 atoms:  N C HA CB
 &rst iat=1115,1129,1118,1119, &end
#
#  chirality for residue 71 atoms:  CA CG HB2 HB3
 &rst iat=1133,1138,1136,1137, &end
#
#  chirality for residue 71 atoms:  CB CD1 CD2 HG
 &rst iat=1135,1140,1144,1139, &end
#
#  chirality for residue 71 atoms:  N C HA CB
 &rst iat=1131,1148,1134,1135, &end
#
#  chirality for residue 72 atoms:  CA CG HB2 HB3
 &rst iat=1152,1157,1155,1156, &end
#
#  chirality for residue 72 atoms:  CB CD HG2 HG3
 &rst iat=1154,1160,1158,1159, &end
#
#  chirality for residue 72 atoms:  CG NE HD2 HD3
 &rst iat=1157,1163,1161,1162, &end
#
#  chirality for residue 72 atoms:  N C HA CB
 &rst iat=1150,1172,1153,1154, &end
#
#  chirality for residue 73 atoms:  CA CG HB2 HB3
 &rst iat=1176,1181,1179,1180, &end
#
#  chirality for residue 73 atoms:  CB CD1 CD2 HG
 &rst iat=1178,1183,1187,1182, &end
#
#  chirality for residue 73 atoms:  N C HA CB
 &rst iat=1174,1191,1177,1178, &end
#
#  chirality for residue 74 atoms:  CA CG HB2 HB3
 &rst iat=1195,1200,1198,1199, &end
#
#  chirality for residue 74 atoms:  CB CD HG2 HG3
 &rst iat=1197,1203,1201,1202, &end
#
#  chirality for residue 74 atoms:  CG NE HD2 HD3
 &rst iat=1200,1206,1204,1205, &end
#
#  chirality for residue 74 atoms:  N C HA CB
 &rst iat=1193,1215,1196,1197, &end
#
#  chirality for residue 75 atoms:  N C HA2 HA3
 &rst iat=1217,1222,1220,1221, &end
#
#  chirality for residue 76 atoms:  N C HA2 HA3
 &rst iat=1224,1229,1227,1228, &end
#
#  chirality for residue 77 atoms:  N C HA2 HA3
 &rst iat=1232,1239,1237,1238, &end
#
#  chirality for residue 78 atoms:  CA CG HB2 HB3
 &rst iat=1243,1248,1246,1247, &end
#
#  chirality for residue 78 atoms:  N C HA CB
 &rst iat=1241,1256,1244,1245, &end
#
#  chirality for residue 79 atoms:  CA CG HB2 HB3
 &rst iat=1260,1265,1263,1264, &end
#
#  chirality for residue 79 atoms:  CB SD HG2 HG3
 &rst iat=1262,1268,1266,1267, &end
#
#  chirality for residue 79 atoms:  N C HA CB
 &rst iat=1258,1273,1261,1262, &end
#
#  chirality for residue 80 atoms:  CA CG HB2 HB3
 &rst iat=1277,1282,1280,1281, &end
#
#  chirality for residue 80 atoms:  N C HA CB
 &rst iat=1275,1293,1278,1279, &end
#
#  chirality for residue 81 atoms:  CA CG HB2 HB3
 &rst iat=1305,1299,1303,1304, &end
#
#  chirality for residue 81 atoms:  CB CD HG2 HG3
 &rst iat=1302,1296,1300,1301, &end
#
#  chirality for residue 81 atoms:  CG N HD2 HD3
 &rst iat=1299,1295,1297,1298, &end
#
#  chirality for residue 81 atoms:  N C HA CB
 &rst iat=1295,1307,1306,1302, &end
#
#  chirality for residue 82 atoms:  CA OG HB2 HB3
 &rst iat=1311,1316,1314,1315, &end
#
#  chirality for residue 82 atoms:  N C HA CB
 &rst iat=1309,1318,1312,1313, &end
#
#  chirality for residue 83 atoms:  CA CG HB2 HB3
 &rst iat=1322,1327,1325,1326, &end
#
#  chirality for residue 83 atoms:  N C HA CB
 &rst iat=1320,1330,1323,1324, &end
#
#  chirality for residue 84 atoms:  CA CG2 CG1 HB
 &rst iat=1334,1338,1342,1337, &end
#
#  chirality for residue 84 atoms:  CB CD1 HG12 HG13
 &rst iat=1336,1345,1343,1344, &end
#
#  chirality for residue 84 atoms:  N C HA CB
 &rst iat=1332,1349,1335,1336, &end
#
#  chirality for residue 85 atoms:  CA CG HB2 HB3
 &rst iat=1353,1358,1356,1357, &end
#
#  chirality for residue 85 atoms:  N C HA CB
 &rst iat=1351,1361,1354,1355, &end
#
#  chirality for residue 86 atoms:  CA CG HB2 HB3
 &rst iat=1373,1367,1371,1372, &end
#
#  chirality for residue 86 atoms:  CB CD HG2 HG3
 &rst iat=1370,1364,1368,1369, &end
#
#  chirality for residue 86 atoms:  CG N HD2 HD3
 &rst iat=1367,1363,1365,1366, &end
#
#  chirality for residue 86 atoms:  N C HA CB
 &rst iat=1363,1375,1374,1370, &end
#
#  chirality for residue 87 atoms:  CA CG HB2 HB3
 &rst iat=1379,1384,1382,1383, &end
#
#  chirality for residue 87 atoms:  CB CD HG2 HG3
 &rst iat=1381,1387,1385,1386, &end
#
#  chirality for residue 87 atoms:  N C HA CB
 &rst iat=1377,1392,1380,1381, &end
#
#  chirality for residue 88 atoms:  CA CG1 CG2 HB
 &rst iat=1396,1400,1404,1399, &end
#
#  chirality for residue 88 atoms:  N C HA CB
 &rst iat=1394,1408,1397,1398, &end
#
#  chirality for residue 89 atoms:  CA CG HB2 HB3
 &rst iat=1412,1417,1415,1416, &end
#
#  chirality for residue 89 atoms:  N C HA CB
 &rst iat=1410,1428,1413,1414, &end
#
#  chirality for residue 90 atoms:  CA CG HB2 HB3
 &rst iat=1432,1437,1435,1436, &end
#
#  chirality for residue 90 atoms:  N C HA CB
 &rst iat=1430,1449,1433,1434, &end
#
#  chirality for residue 91 atoms:  CA CG HB2 HB3
 &rst iat=1453,1458,1456,1457, &end
#
#  chirality for residue 91 atoms:  CB CD HG2 HG3
 &rst iat=1455,1461,1459,1460, &end
#
#  chirality for residue 91 atoms:  N C HA CB
 &rst iat=1451,1464,1454,1455, &end
#
#  chirality for residue 92 atoms:  CA CG HB2 HB3
 &rst iat=1468,1473,1471,1472, &end
#
#  chirality for residue 92 atoms:  CB CD1 CD2 HG
 &rst iat=1470,1475,1479,1474, &end
#
#  chirality for residue 92 atoms:  N C HA CB
 &rst iat=1466,1483,1469,1470, &end
#
#  chirality for residue 93 atoms:  CA CG HB2 HB3
 &rst iat=1495,1489,1493,1494, &end
#
#  chirality for residue 93 atoms:  CB CD HG2 HG3
 &rst iat=1492,1486,1490,1491, &end
#
#  chirality for residue 93 atoms:  CG N HD2 HD3
 &rst iat=1489,1485,1487,1488, &end
#
#  chirality for residue 93 atoms:  N C HA CB
 &rst iat=1485,1497,1496,1492, &end
#
#  chirality for residue 94 atoms:  CA CG HB2 HB3
 &rst iat=1501,1506,1504,1505, &end
#
#  chirality for residue 94 atoms:  CB CD HG2 HG3
 &rst iat=1503,1509,1507,1508, &end
#
#  chirality for residue 94 atoms:  N C HA CB
 &rst iat=1499,1512,1502,1503, &end
#
#  chirality for residue 95 atoms:  N C HA CB
 &rst iat=1514,1522,1517,1518, &end
#
#  chirality for residue 96 atoms:  CA CG1 CG2 HB
 &rst iat=1526,1530,1534,1529, &end
#
#  chirality for residue 96 atoms:  N C HA CB
 &rst iat=1524,1538,1527,1528, &end
#
#  chirality for residue 97 atoms:  CA CG HB2 HB3
 &rst iat=1542,1547,1545,1546, &end
#
#  chirality for residue 97 atoms:  CB CD HG2 HG3
 &rst iat=1544,1550,1548,1549, &end
#
#  chirality for residue 97 atoms:  N C HA CB
 &rst iat=1540,1555,1543,1544, &end
#
#  chirality for residue 98 atoms:  CA CG HB2 HB3
 &rst iat=1559,1564,1562,1563, &end
#
#  chirality for residue 98 atoms:  CB CD HG2 HG3
 &rst iat=1561,1567,1565,1566, &end
#
#  chirality for residue 98 atoms:  CD NZ HE2 HE3
 &rst iat=1567,1573,1571,1572, &end
#
#  chirality for residue 98 atoms:  CG CE HD2 HD3
 &rst iat=1564,1570,1568,1569, &end
#
#  chirality for residue 98 atoms:  N C HA CB
 &rst iat=1557,1577,1560,1561, &end
#
#  chirality for residue 99 atoms:  CA CG HB2 HB3
 &rst iat=1581,1586,1584,1585, &end
#
#  chirality for residue 99 atoms:  CB CD HG2 HG3
 &rst iat=1583,1589,1587,1588, &end
#
#  chirality for residue 99 atoms:  N C HA CB
 &rst iat=1579,1592,1582,1583, &end
#
#  chirality for residue 100 atoms:  CA CG HB2 HB3
 &rst iat=1596,1601,1599,1600, &end
#
#  chirality for residue 100 atoms:  CB CD1 CD2 HG
 &rst iat=1598,1603,1607,1602, &end
#
#  chirality for residue 100 atoms:  N C HA CB
 &rst iat=1594,1611,1597,1598, &end
#
#  chirality for residue 101 atoms:  CA CG HB2 HB3
 &rst iat=1615,1620,1618,1619, &end
#
#  chirality for residue 101 atoms:  CB CD1 CD2 HG
 &rst iat=1617,1622,1626,1621, &end
#
#  chirality for residue 101 atoms:  N C HA CB
 &rst iat=1613,1630,1616,1617, &end
#
#  chirality for residue 102 atoms:  N C HA CB
 &rst iat=1632,1640,1635,1636, &end
#
#  chirality for residue 103 atoms:  CA CG HB2 HB3
 &rst iat=1644,1649,1647,1648, &end
#
#  chirality for residue 103 atoms:  CB CD HG2 HG3
 &rst iat=1646,1652,1650,1651, &end
#
#  chirality for residue 103 atoms:  N C HA CB
 &rst iat=1642,1655,1645,1646, &end
#
#  chirality for residue 104 atoms:  CA CG HB2 HB3
 &rst iat=1659,1664,1662,1663, &end
#
#  chirality for residue 104 atoms:  N C HA CB
 &rst iat=1657,1679,1660,1661, &end
#
#  chirality for residue 105 atoms:  CA CG HB2 HB3
 &rst iat=1683,1688,1686,1687, &end
#
#  chirality for residue 105 atoms:  CB CD HG2 HG3
 &rst iat=1685,1691,1689,1690, &end
#
#  chirality for residue 105 atoms:  CD NZ HE2 HE3
 &rst iat=1691,1697,1695,1696, &end
#
#  chirality for residue 105 atoms:  CG CE HD2 HD3
 &rst iat=1688,1694,1692,1693, &end
#
#  chirality for residue 105 atoms:  N C HA CB
 &rst iat=1681,1701,1684,1685, &end
#
#  chirality for residue 106 atoms:  CA CG HB2 HB3
 &rst iat=1705,1710,1708,1709, &end
#
#  chirality for residue 106 atoms:  CB CD HG2 HG3
 &rst iat=1707,1713,1711,1712, &end
#
#  chirality for residue 106 atoms:  CG NE HD2 HD3
 &rst iat=1710,1716,1714,1715, &end
#
#  chirality for residue 106 atoms:  N C HA CB
 &rst iat=1703,1725,1706,1707, &end
#
#  chirality for residue 107 atoms:  CA CG2 OG1 HB
 &rst iat=1729,1733,1737,1732, &end
#
#  chirality for residue 107 atoms:  N C HA CB
 &rst iat=1727,1739,1730,1731, &end
#
#  chirality for residue 108 atoms:  N C HA2 HA3
 &rst iat=1741,1746,1744,1745, &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=39,37,35,22, &end
#
#  trans-omega constraint for residue 4
 &rst iat=58,56,54,39, &end
#
#  trans-omega constraint for residue 5
 &rst iat=78,76,74,58, &end
#
#  trans-omega constraint for residue 6
 &rst iat=94,92,90,78, &end
#
#  trans-omega constraint for residue 7
 &rst iat=116,114,112,94, &end
#
#  trans-omega constraint for residue 8
 &rst iat=130,128,126,116, &end
#
#  trans-omega constraint for residue 9
 &rst iat=149,147,145,130, &end
#
#  trans-omega constraint for residue 10
 &rst iat=163,161,159,149, &end
#
#  trans-omega constraint for residue 11
 &rst iat=170,168,166,163, &end
#
#  trans-omega constraint for residue 12
 &rst iat=192,190,188,170, &end
#
#  trans-omega constraint for residue 13
 &rst iat=206,204,202,192, &end
#
#  trans-omega constraint for residue 14
 &rst iat=225,223,221,206, &end
#
#  trans-omega constraint for residue 15
 &rst iat=239,237,235,225, &end
#
#  trans-omega constraint for residue 16
 &rst iat=258,256,254,239, &end
#
#  trans-omega constraint for residue 17
 &rst iat=273,271,269,258, &end
#
#  trans-omega constraint for residue 18
 &rst iat=289,287,285,273, &end
#
#  trans-omega constraint for residue 19
 &rst iat=312,302,300,289, &end
#
#  trans-omega constraint for residue 20
 &rst iat=318,316,314,312, &end
#
#  trans-omega constraint for residue 21
 &rst iat=329,327,325,318, &end
#
#  trans-omega constraint for residue 22
 &rst iat=341,339,337,329, &end
#
#  trans-omega constraint for residue 23
 &rst iat=355,353,351,341, &end
#
#  trans-omega constraint for residue 24
 &rst iat=374,372,370,355, &end
#
#  trans-omega constraint for residue 25
 &rst iat=389,387,385,374, &end
#
#  trans-omega constraint for residue 26
 &rst iat=403,401,399,389, &end
#
#  trans-omega constraint for residue 27
 &rst iat=419,417,415,403, &end
#
#  trans-omega constraint for residue 28
 &rst iat=441,439,437,419, &end
#
#  trans-omega constraint for residue 29
 &rst iat=451,449,447,441, &end
#
#  trans-omega constraint for residue 30
 &rst iat=473,471,469,451, &end
#
#  trans-omega constraint for residue 31
 &rst iat=492,490,488,473, &end
#
#  trans-omega constraint for residue 32
 &rst iat=509,507,505,492, &end
#
#  trans-omega constraint for residue 33
 &rst iat=521,519,517,509, &end
#
#  trans-omega constraint for residue 34
 &rst iat=543,541,539,521, &end
#
#  trans-omega constraint for residue 35
 &rst iat=558,556,554,543, &end
#
#  trans-omega constraint for residue 36
 &rst iat=565,563,561,558, &end
#
#  trans-omega constraint for residue 37
 &rst iat=592,582,580,565, &end
#
#  trans-omega constraint for residue 38
 &rst iat=606,596,594,592, &end
#
#  trans-omega constraint for residue 39
 &rst iat=612,610,608,606, &end
#
#  trans-omega constraint for residue 40
 &rst iat=624,622,620,612, &end
#
#  trans-omega constraint for residue 41
 &rst iat=641,639,637,624, &end
#
#  trans-omega constraint for residue 42
 &rst iat=658,656,654,641, &end
#
#  trans-omega constraint for residue 43
 &rst iat=682,680,678,658, &end
#
#  trans-omega constraint for residue 44
 &rst iat=701,699,697,682, &end
#
#  trans-omega constraint for residue 45
 &rst iat=720,718,716,701, &end
#
#  trans-omega constraint for residue 46
 &rst iat=740,738,736,720, &end
#
#  trans-omega constraint for residue 47
 &rst iat=750,748,746,740, &end
#
#  trans-omega constraint for residue 48
 &rst iat=757,755,753,750, &end
#
#  trans-omega constraint for residue 49
 &rst iat=779,777,775,757, &end
#
#  trans-omega constraint for residue 50
 &rst iat=796,794,792,779, &end
#
#  trans-omega constraint for residue 51
 &rst iat=815,813,811,796, &end
#
#  trans-omega constraint for residue 52
 &rst iat=830,828,826,815, &end
#
#  trans-omega constraint for residue 53
 &rst iat=842,840,838,830, &end
#
#  trans-omega constraint for residue 54
 &rst iat=849,847,845,842, &end
#
#  trans-omega constraint for residue 55
 &rst iat=873,871,869,849, &end
#
#  trans-omega constraint for residue 56
 &rst iat=887,885,883,873, &end
#
#  trans-omega constraint for residue 57
 &rst iat=906,904,902,887, &end
#
#  trans-omega constraint for residue 58
 &rst iat=917,915,913,906, &end
#
#  trans-omega constraint for residue 59
 &rst iat=929,927,925,917, &end
#
#  trans-omega constraint for residue 60
 &rst iat=950,948,946,929, &end
#
#  trans-omega constraint for residue 61
 &rst iat=964,962,960,950, &end
#
#  trans-omega constraint for residue 62
 &rst iat=983,981,979,964, &end
#
#  trans-omega constraint for residue 63
 &rst iat=1000,998,996,983, &end
#
#  trans-omega constraint for residue 64
 &rst iat=1022,1020,1018,1000, &end
#
#  trans-omega constraint for residue 65
 &rst iat=1037,1035,1033,1022, &end
#
#  trans-omega constraint for residue 66
 &rst iat=1048,1046,1044,1037, &end
#
#  trans-omega constraint for residue 67
 &rst iat=1062,1060,1058,1048, &end
#
#  trans-omega constraint for residue 68
 &rst iat=1081,1079,1077,1062, &end
#
#  trans-omega constraint for residue 69
 &rst iat=1098,1096,1094,1081, &end
#
#  trans-omega constraint for residue 70
 &rst iat=1117,1115,1113,1098, &end
#
#  trans-omega constraint for residue 71
 &rst iat=1133,1131,1129,1117, &end
#
#  trans-omega constraint for residue 72
 &rst iat=1152,1150,1148,1133, &end
#
#  trans-omega constraint for residue 73
 &rst iat=1176,1174,1172,1152, &end
#
#  trans-omega constraint for residue 74
 &rst iat=1195,1193,1191,1176, &end
#
#  trans-omega constraint for residue 75
 &rst iat=1219,1217,1215,1195, &end
#
#  trans-omega constraint for residue 76
 &rst iat=1226,1224,1222,1219, &end
#
#  trans-omega constraint for residue 77
 &rst iat=1236,1232,1229,1226, &end
#
#  trans-omega constraint for residue 78
 &rst iat=1243,1241,1239,1236, &end
#
#  trans-omega constraint for residue 79
 &rst iat=1260,1258,1256,1243, &end
#
#  trans-omega constraint for residue 80
 &rst iat=1277,1275,1273,1260, &end
#
#  trans-omega constraint for residue 81
 &rst iat=1305,1295,1293,1277, &end
#
#  trans-omega constraint for residue 82
 &rst iat=1311,1309,1307,1305, &end
#
#  trans-omega constraint for residue 83
 &rst iat=1322,1320,1318,1311, &end
#
#  trans-omega constraint for residue 84
 &rst iat=1334,1332,1330,1322, &end
#
#  trans-omega constraint for residue 85
 &rst iat=1353,1351,1349,1334, &end
#
#  trans-omega constraint for residue 86
 &rst iat=1373,1363,1361,1353, &end
#
#  trans-omega constraint for residue 87
 &rst iat=1379,1377,1375,1373, &end
#
#  trans-omega constraint for residue 88
 &rst iat=1396,1394,1392,1379, &end
#
#  trans-omega constraint for residue 89
 &rst iat=1412,1410,1408,1396, &end
#
#  trans-omega constraint for residue 90
 &rst iat=1432,1430,1428,1412, &end
#
#  trans-omega constraint for residue 91
 &rst iat=1453,1451,1449,1432, &end
#
#  trans-omega constraint for residue 92
 &rst iat=1468,1466,1464,1453, &end
#
#  trans-omega constraint for residue 93
 &rst iat=1495,1485,1483,1468, &end
#
#  trans-omega constraint for residue 94
 &rst iat=1501,1499,1497,1495, &end
#
#  trans-omega constraint for residue 95
 &rst iat=1516,1514,1512,1501, &end
#
#  trans-omega constraint for residue 96
 &rst iat=1526,1524,1522,1516, &end
#
#  trans-omega constraint for residue 97
 &rst iat=1542,1540,1538,1526, &end
#
#  trans-omega constraint for residue 98
 &rst iat=1559,1557,1555,1542, &end
#
#  trans-omega constraint for residue 99
 &rst iat=1581,1579,1577,1559, &end
#
#  trans-omega constraint for residue 100
 &rst iat=1596,1594,1592,1581, &end
#
#  trans-omega constraint for residue 101
 &rst iat=1615,1613,1611,1596, &end
#
#  trans-omega constraint for residue 102
 &rst iat=1634,1632,1630,1615, &end
#
#  trans-omega constraint for residue 103
 &rst iat=1644,1642,1640,1634, &end
#
#  trans-omega constraint for residue 104
 &rst iat=1659,1657,1655,1644, &end
#
#  trans-omega constraint for residue 105
 &rst iat=1683,1681,1679,1659, &end
#
#  trans-omega constraint for residue 106
 &rst iat=1705,1703,1701,1683, &end
#
#  trans-omega constraint for residue 107
 &rst iat=1729,1727,1725,1705, &end
#
#  trans-omega constraint for residue 108
 &rst iat=1743,1741,1739,1729, &end
#
#   66 THR  HN           65 SER  HA          3.50    (#      0:25  Preassigned    2.15, 2.30 A)
 &rst
  ixpk= 0, nxpk= 25, iat=1047,1038, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
#   65 SER  HN           65 SER  HA          3.50    (#      1:25  Preassigned    2.94, 2.94 A)
 &rst
  ixpk= 1, nxpk= 25, iat=1036,1038, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   65 SER  HB+          65 SER  HA          3.50    (#      2:25  Preassigned    2.76, 2.85 A)
 &rst
  ixpk= 2, nxpk= 25, iat=  -1,1038, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1040,1041,
 &end
#
#   65 SER  HB-          65 SER  HA          3.50    (#      3:25  Preassigned    2.76, 2.85 A)
 &rst
  ixpk= 3, nxpk= 25, iat=  -1,1038, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1040,1041,
 &end
#
#   71 LEU  HN           70 VAL  HA          3.50    (#      4:25  Preassigned    2.38, 2.43 A)
 &rst
  ixpk= 4, nxpk= 25, iat=1132,1118, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   70 VAL  QG-          70 VAL  HA          3.50    (#      5:25  Preassigned    2.06, 3.18 A)
 &rst
  ixpk= 5, nxpk= 25, iat=  -1,1118, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1122,1123,1124,1126,1127,1128,
 &end
#
#    0 AMB  25-3:6       70 VAL  HA          3.50    (#      6:25  Single Ambig)
 &rst
  ixpk= 6, nxpk= 25, iat=  -1,1118, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1122,1123,1124,1126,1127,1128,1106,1107,1108,1110,
      1111,1112,
 &end
#
#   14 THR  HN           13 ILE  HA          2.80    (#      7:25  Preassigned    2.15, 2.17 A)
 &rst
  ixpk= 7, nxpk= 25, iat= 224, 207, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   13 ILE  HG1-         13 ILE  HA          3.50    (#      8:25  Unique         2.66, 3.05 A)
 &rst
  ixpk= 8, nxpk= 25, iat=  -1, 207, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 215, 216,
 &end
#
#   13 ILE  QG2          13 ILE  HA          3.50    (#      9:25  Preassigned    3.57, 3.85 A)
 &rst
  ixpk= 9, nxpk= 25, iat=  -1, 207, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 211, 212, 213,
 &end
#
#    0 AMB  25-3:10      13 ILE  HA          5.50    (#     10:25  Single Ambig)
 &rst
  ixpk= 10, nxpk= 25, iat=  -1, 207, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
 igr1= 218, 219, 220,  83,  84,  85,  87,  88,  89,  83,
        84,  85,  87,  88,  89,
 &end
#
#   29 LYS  HN           29 LYS  HA          3.50    (#     11:25  Preassigned    2.78, 2.79 A)
 &rst
  ixpk= 11, nxpk= 25, iat= 450, 452, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   32 ASP  HB+          29 LYS  HA          3.50    (#     12:25  Preassigned    2.98, 3.54 A)
 &rst
  ixpk= 12, nxpk= 25, iat=  -1, 452, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 512, 513,
 &end
#
#   29 LYS  HB+          29 LYS  HA          5.50    (#     13:25  Preassigned    2.36, 2.69 A)
 &rst
  ixpk= 13, nxpk= 25, iat=  -1, 452, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 454, 455,
 &end
#
#   29 LYS  HB-          29 LYS  HA          3.50    (#     14:25  Preassigned    2.36, 2.69 A)
 &rst
  ixpk= 14, nxpk= 25, iat=  -1, 452, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 454, 455,
 &end
#
#    0 AMB  25-3:15       0 AMB  25-1:15     3.50    (#     15:25  Double Ambig)
 &rst
  ixpk= 15, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1=  42, 457, 458, 460, 461,
 igr2=  40, 452,
 &end
#
#    0 AMB  25-3:16      29 LYS  HA          3.50    (#     16:25  Single Ambig)
 &rst
  ixpk= 16, nxpk= 25, iat=  -1, 452, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 457, 458, 444, 445, 446, 527, 528,
 &end
#
#    4 PHE  HN            3 ILE  HA          3.50    (#     17:25  Preassigned    2.23, 2.26 A)
 &rst
  ixpk= 17, nxpk= 25, iat=  57,  40, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    3 ILE  HB            3 ILE  HA          3.50    (#     18:25  Preassigned    2.66, 2.67 A)
 &rst
  ixpk= 18, nxpk= 25, iat=  42,  40, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    3 ILE  QG2           3 ILE  HA          3.50    (#     19:25  Preassigned    2.00, 2.83 A)
 &rst
  ixpk= 19, nxpk= 25, iat=  -1,  40, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  44,  45,  46,
 &end
#
#    0 AMB  25-3:20      37 PRO  HA          3.50    (#     20:25  Single Ambig)
 &rst
  ixpk= 20, nxpk= 25, iat=  -1, 593, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 498, 499, 495, 496,
 &end
#
#   37 PRO  HB+          37 PRO  HA          4.50    (#     21:25  Preassigned    2.30, 2.51 A)
 &rst
  ixpk= 21, nxpk= 25, iat=  -1, 593, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 590, 591,
 &end
#
#    0 AMB  25-3:22      37 PRO  HA          3.50    (#     22:25  Single Ambig)
 &rst
  ixpk= 22, nxpk= 25, iat=  -1, 593, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 598, 599, 598, 599,
 &end
#
#   57 SER  HB-          57 SER  HA          3.50    (#     23:25  Preassigned    2.44, 2.72 A)
 &rst
  ixpk= 23, nxpk= 25, iat=  -1, 907, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 909, 910,
 &end
#
#   57 SER  HB+          57 SER  HA          3.50    (#     24:25  Preassigned    2.44, 2.72 A)
 &rst
  ixpk= 24, nxpk= 25, iat=  -1, 907, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 909, 910,
 &end
#
#   57 SER  HN           57 SER  HA          3.50    (#     25:25  Preassigned    2.79, 2.80 A)
 &rst
  ixpk= 25, nxpk= 25, iat= 905, 907, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   30 ILE  HG1-         27 LYS  HA          3.50    (#     26:25  Unique         2.10, 2.81 A)
 &rst
  ixpk= 26, nxpk= 25, iat=  -1, 420, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 482, 483,
 &end
#
#   30 ILE  QD1          27 LYS  HA          3.50    (#     27:25  Preassigned    4.19, 4.68 A)
 &rst
  ixpk= 27, nxpk= 25, iat=  -1, 420, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 485, 486, 487,
 &end
#
#    0 AMB  25-3:28      27 LYS  HA          3.50    (#     28:25  Single Ambig)
 &rst
  ixpk= 28, nxpk= 25, iat=  -1, 420, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 425, 426, 422, 423,
 &end
#
#    0 AMB  25-3:29      27 LYS  HA          3.50    (#     29:25  Single Ambig)
 &rst
  ixpk= 29, nxpk= 25, iat=  -1, 420, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 482, 483, 422, 423,
 &end
#
#   27 LYS  HN           27 LYS  HA          4.50    (#     30:25  Preassigned    2.76, 2.77 A)
 &rst
  ixpk= 30, nxpk= 25, iat= 418, 420, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:31      59 TYR  HA          2.80    (#     31:25  Single Ambig)
 &rst
  ixpk= 31, nxpk= 25, iat=  -1, 930, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 945, 928,
 &end
#
#   59 TYR  HB-          59 TYR  HA          3.50    (#     32:25  Preassigned    2.50, 2.77 A)
 &rst
  ixpk= 32, nxpk= 25, iat=  -1, 930, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 932, 933,
 &end
#
#   18 GLU  HN           17 VAL  HA          3.50    (#     33:25  Preassigned    2.73, 2.74 A)
 &rst
  ixpk= 33, nxpk= 25, iat= 288, 274, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   17 VAL  HB           17 VAL  HA          3.50    (#     34:25  Preassigned    2.67, 2.70 A)
 &rst
  ixpk= 34, nxpk= 25, iat= 276, 274, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   17 VAL  QG-          17 VAL  HA          3.50    (#     35:25  Preassigned    2.37, 3.32 A)
 &rst
  ixpk= 35, nxpk= 25, iat=  -1, 274, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 278, 279, 280, 282, 283, 284,
 &end
#
#   17 VAL  QG+          17 VAL  HA          4.50    (#     36:25  Preassigned    2.37, 3.32 A)
 &rst
  ixpk= 36, nxpk= 25, iat=  -1, 274, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 278, 279, 280, 282, 283, 284,
 &end
#
#   36 ILE  QG2          36 ILE  HA          3.50    (#     37:25  Preassigned    2.65, 3.08 A)
 &rst
  ixpk= 37, nxpk= 25, iat=  -1, 566, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 570, 571, 572,
 &end
#
#    0 AMB  25-3:38      36 ILE  HA          3.50    (#     38:25  Single Ambig)
 &rst
  ixpk= 38, nxpk= 25, iat=  -1, 566, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 574, 575, 568,
 &end
#
#   37 PRO  HD-          36 ILE  HA          3.50    (#     39:25  Preassigned    2.07, 2.17 A)
 &rst
  ixpk= 39, nxpk= 25, iat=  -1, 566, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 584, 585,
 &end
#
#   37 PRO  HD+          36 ILE  HA          3.50    (#     40:25  Preassigned    2.07, 2.17 A)
 &rst
  ixpk= 40, nxpk= 25, iat=  -1, 566, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 584, 585,
 &end
#
#    0 AMB  25-3:41      33 LYS  HA          3.50    (#     41:25  Single Ambig)
 &rst
  ixpk= 41, nxpk= 25, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 527, 528, 527, 528,
 &end
#
#    0 AMB  25-3:42      33 LYS  HA          3.50    (#     42:25  Single Ambig)
 &rst
  ixpk= 42, nxpk= 25, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 530, 531, 530, 531,
 &end
#
#   33 LYS  HB-          33 LYS  HA          3.50    (#     43:25  Preassigned    2.40, 2.72 A)
 &rst
  ixpk= 43, nxpk= 25, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 524, 525,
 &end
#
#   33 LYS  HB+          33 LYS  HA          3.50    (#     44:25  Preassigned    2.40, 2.72 A)
 &rst
  ixpk= 44, nxpk= 25, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 524, 525,
 &end
#
#   33 LYS  HN           33 LYS  HA          3.50    (#     45:25  Preassigned    2.94, 2.94 A)
 &rst
  ixpk= 45, nxpk= 25, iat= 520, 522, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   55 THR  QG2          20 SER  HA          3.50    (#     46:25  Preassigned    3.60, 4.36 A)
 &rst
  ixpk= 46, nxpk= 25, iat=  -1, 319, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 878, 879, 880,
 &end
#
#   20 SER  HB-          20 SER  HA          2.80    (#     47:25  Preassigned    2.24, 2.51 A)
 &rst
  ixpk= 47, nxpk= 25, iat=  -1, 319, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 321, 322,
 &end
#
#   20 SER  HB+          20 SER  HA          2.80    (#     48:25  Preassigned    2.24, 2.51 A)
 &rst
  ixpk= 48, nxpk= 25, iat=  -1, 319, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 321, 322,
 &end
#
#   55 THR  HB           20 SER  HA          3.50    (#     49:25  Preassigned    2.95, 2.98 A)
 &rst
  ixpk= 49, nxpk= 25, iat= 876, 319, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   20 SER  HN           20 SER  HA          4.50    (#     50:25  Preassigned    2.93, 2.94 A)
 &rst
  ixpk= 50, nxpk= 25, iat= 317, 319, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   32 ASP  HB-          32 ASP  HA          3.50    (#     51:25  Preassigned    2.77, 2.85 A)
 &rst
  ixpk= 51, nxpk= 25, iat=  -1, 510, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 512, 513,
 &end
#
#   32 ASP  HB+          32 ASP  HA          3.50    (#     52:25  Preassigned    2.77, 2.85 A)
 &rst
  ixpk= 52, nxpk= 25, iat=  -1, 510, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 512, 513,
 &end
#
#   32 ASP  HN           32 ASP  HA          3.50    (#     53:25  Preassigned    2.89, 2.89 A)
 &rst
  ixpk= 53, nxpk= 25, iat= 508, 510, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   58 ASP  HB-          58 ASP  HA          3.50    (#     54:25  Preassigned    2.53, 2.82 A)
 &rst
  ixpk= 54, nxpk= 25, iat=  -1, 918, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 920, 921,
 &end
#
#   58 ASP  HB+          58 ASP  HA          3.50    (#     55:25  Preassigned    2.53, 2.82 A)
 &rst
  ixpk= 55, nxpk= 25, iat=  -1, 918, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 920, 921,
 &end
#
#   58 ASP  HN           58 ASP  HA          4.50    (#     56:25  Preassigned    2.83, 2.84 A)
 &rst
  ixpk= 56, nxpk= 25, iat= 916, 918, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   23 ILE  QG2          52 ASP  HA          4.50    (#     57:25  Preassigned    2.71, 3.58 A)
 &rst
  ixpk= 57, nxpk= 25, iat=  -1, 831, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 360, 361, 362,
 &end
#
#    0 AMB  25-3:58      52 ASP  HA          3.50    (#     58:25  Single Ambig)
 &rst
  ixpk= 58, nxpk= 25, iat=  -1, 831, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 358, 833, 834,
 &end
#
#   11 LYS  HG+          11 LYS  HA          4.50    (#     59:25  Preassigned    2.79, 3.71 A)
 &rst
  ixpk= 59, nxpk= 25, iat=  -1, 171, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 176, 177,
 &end
#
#   11 LYS  HB+          11 LYS  HA          3.50    (#     60:25  Preassigned    2.23, 2.54 A)
 &rst
  ixpk= 60, nxpk= 25, iat=  -1, 171, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 173, 174,
 &end
#
#   11 LYS  HN           11 LYS  HA          4.50    (#     61:25  Preassigned    2.92, 2.93 A)
 &rst
  ixpk= 61, nxpk= 25, iat= 169, 171, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 THR  HN           11 LYS  HA          3.50    (#     62:25  Preassigned    2.21, 2.31 A)
 &rst
  ixpk= 62, nxpk= 25, iat= 191, 171, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   70 VAL  QG-           8 LEU  HA          4.50    (#     63:25  Preassigned    4.86, 7.26 A)
 &rst
  ixpk= 63, nxpk= 25, iat=  -1, 131, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1122,1123,1124,1126,1127,1128,
 &end
#
#    8 LEU  QD+           8 LEU  HA          3.50    (#     64:25  Preassigned    1.87, 3.53 A)
 &rst
  ixpk= 64, nxpk= 25, iat=  -1, 131, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#    8 LEU  QD-           8 LEU  HA          4.50    (#     65:25  Preassigned    1.87, 3.53 A)
 &rst
  ixpk= 65, nxpk= 25, iat=  -1, 131, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#    0 AMB  25-3:66       8 LEU  HA          3.50    (#     66:25  Single Ambig)
 &rst
  ixpk= 66, nxpk= 25, iat=  -1, 131, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 133, 134, 133, 134,
 &end
#
#    0 AMB  25-3:68       0 AMB  25-1:68     3.50    (#     68:25  Double Ambig)
 &rst
  ixpk= 68, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1218,1151,
 igr2=1196,1153,
 &end
#
#   28 ALA  QB           25 ASN  HA          3.50    (#     71:25  Preassigned    2.91, 3.91 A)
 &rst
  ixpk= 71, nxpk= 25, iat=  -1, 390, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 444, 445, 446,
 &end
#
#   25 ASN  HB-          25 ASN  HA          3.50    (#     72:25  Preassigned    2.25, 2.49 A)
 &rst
  ixpk= 72, nxpk= 25, iat=  -1, 390, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 392, 393,
 &end
#
#   25 ASN  HB+          25 ASN  HA          3.50    (#     73:25  Preassigned    2.25, 2.49 A)
 &rst
  ixpk= 73, nxpk= 25, iat=  -1, 390, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 392, 393,
 &end
#
#   25 ASN  HD2-         25 ASN  HA          4.50    (#     74:25  Unique         3.93, 4.51 A)
 &rst
  ixpk= 74, nxpk= 25, iat=  -1, 390, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 397, 398,
 &end
#
#    0 AMB  25-3:75      25 ASN  HA          3.50    (#     75:25  Single Ambig)
 &rst
  ixpk= 75, nxpk= 25, iat=  -1, 390, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 388, 440,
 &end
#
#   39 ASP  HB-          39 ASP  HA          3.50    (#     76:25  Preassigned    2.36, 2.70 A)
 &rst
  ixpk= 76, nxpk= 25, iat=  -1, 613, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 615, 616,
 &end
#
#   39 ASP  HB+          39 ASP  HA          2.80    (#     77:25  Preassigned    2.36, 2.70 A)
 &rst
  ixpk= 77, nxpk= 25, iat=  -1, 613, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 615, 616,
 &end
#
#    0 AMB  25-3:78       0 AMB  25-1:78     3.50    (#     78:25  Double Ambig)
 &rst
  ixpk= 78, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 611,1175,1151,
 igr2= 613, 625,
 &end
#
#    0 AMB  25-3:79      40 GLN  HA          4.50    (#     79:25  Single Ambig)
 &rst
  ixpk= 79, nxpk= 25, iat=  -1, 625, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1198,1199,1201,1202,1201,1202,
 &end
#
#    0 AMB  25-3:80      40 GLN  HA          3.50    (#     80:25  Single Ambig)
 &rst
  ixpk= 80, nxpk= 25, iat=  -1, 625, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1155,1156, 627, 628,
 &end
#
#    0 AMB  25-3:81      40 GLN  HA          2.80    (#     81:25  Single Ambig)
 &rst
  ixpk= 81, nxpk= 25, iat=  -1, 625, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 630, 631, 630, 631,
 &end
#
#   40 GLN  HN            0 AMB  25-1:82     3.50    (#     82:25  Single Ambig)
 &rst
  ixpk= 82, nxpk= 25, iat= 623,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 625, 613,
 &end
#
#    0 AMB  25-3:83      51 GLU  HA          4.50    (#     83:25  Single Ambig)
 &rst
  ixpk= 83, nxpk= 25, iat=  -1, 816, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 852, 853, 782, 783, 377, 378,
 &end
#
#   51 GLU  HB+          51 GLU  HA          3.50    (#     84:25  Preassigned    2.31, 2.46 A)
 &rst
  ixpk= 84, nxpk= 25, iat=  -1, 816, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 818, 819,
 &end
#
#   51 GLU  HG-          51 GLU  HA          3.50    (#     85:25  Preassigned    3.49, 3.71 A)
 &rst
  ixpk= 85, nxpk= 25, iat=  -1, 816, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 821, 822,
 &end
#
#   52 ASP  HN           51 GLU  HA          2.80    (#     86:25  Preassigned    2.19, 2.20 A)
 &rst
  ixpk= 86, nxpk= 25, iat= 829, 816, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   44 ILE  QD1          49 GLN  HA          4.50    (#     87:25  Preassigned    4.20, 4.89 A)
 &rst
  ixpk= 87, nxpk= 25, iat=  -1, 780, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 713, 714, 715,
 &end
#
#   49 GLN  HB-          49 GLN  HA          3.50    (#     88:25  Preassigned    2.36, 2.80 A)
 &rst
  ixpk= 88, nxpk= 25, iat=  -1, 780, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 782, 783,
 &end
#
#    0 AMB  25-3:89      49 GLN  HA          4.50    (#     89:25  Single Ambig)
 &rst
  ixpk= 89, nxpk= 25, iat=  -1, 780, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 785, 786, 785, 786,
 &end
#
#   44 ILE  HA           49 GLN  HA          4.50    (#     90:25  Preassigned    1.93, 2.06 A)
 &rst
  ixpk= 90, nxpk= 25, iat= 702, 780, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   50 LEU  HN           49 GLN  HA          3.50    (#     91:25  Preassigned    2.14, 2.20 A)
 &rst
  ixpk= 91, nxpk= 25, iat= 795, 780, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   21 ASP  HB+          21 ASP  HA          4.50    (#     92:25  Preassigned    2.34, 2.74 A)
 &rst
  ixpk= 92, nxpk= 25, iat=  -1, 330, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 332, 333,
 &end
#
#   21 ASP  HB-          21 ASP  HA          3.50    (#     93:25  Preassigned    2.34, 2.74 A)
 &rst
  ixpk= 93, nxpk= 25, iat=  -1, 330, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 332, 333,
 &end
#
#   22 THR  HN           21 ASP  HA          2.80    (#     94:25  Preassigned    2.17, 2.18 A)
 &rst
  ixpk= 94, nxpk= 25, iat= 340, 330, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   21 ASP  HN           21 ASP  HA          4.50    (#     95:25  Preassigned    2.87, 2.88 A)
 &rst
  ixpk= 95, nxpk= 25, iat= 328, 330, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   28 ALA  HN           28 ALA  HA          3.50    (#     96:25  Preassigned    2.75, 2.76 A)
 &rst
  ixpk= 96, nxpk= 25, iat= 440, 442, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   31 GLN  HB+          28 ALA  HA          4.50    (#     97:25  Preassigned    2.96, 3.20 A)
 &rst
  ixpk= 97, nxpk= 25, iat=  -1, 442, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 495, 496,
 &end
#
#    0 AMB  25-3:102     42 ARG  HA          3.50    (#    102:25  Single Ambig)
 &rst
  ixpk= 102, nxpk= 25, iat=  -1, 659, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 664, 665, 664, 665,
 &end
#
#   42 ARG  HB-          42 ARG  HA          3.50    (#    103:25  Preassigned    2.26, 2.75 A)
 &rst
  ixpk= 103, nxpk= 25, iat=  -1, 659, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 661, 662,
 &end
#
#   42 ARG  HB+          42 ARG  HA          3.50    (#    104:25  Preassigned    2.26, 2.75 A)
 &rst
  ixpk= 104, nxpk= 25, iat=  -1, 659, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 661, 662,
 &end
#
#   43 LEU  HN           42 ARG  HA          3.50    (#    105:25  Preassigned    2.18, 2.28 A)
 &rst
  ixpk= 105, nxpk= 25, iat= 681, 659, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   34 GLU  HB-          34 GLU  HA          3.50    (#    106:25  Preassigned    2.48, 2.76 A)
 &rst
  ixpk= 106, nxpk= 25, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 546, 547,
 &end
#
#   34 GLU  HG+          34 GLU  HA          3.50    (#    107:25  Preassigned    3.24, 3.46 A)
 &rst
  ixpk= 107, nxpk= 25, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 549, 550,
 &end
#
#   34 GLU  HG-          34 GLU  HA          4.50    (#    108:25  Preassigned    3.24, 3.46 A)
 &rst
  ixpk= 108, nxpk= 25, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 549, 550,
 &end
#
#   34 GLU  HB+          34 GLU  HA          3.50    (#    109:25  Preassigned    2.48, 2.76 A)
 &rst
  ixpk= 109, nxpk= 25, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 546, 547,
 &end
#
#   34 GLU  HN           34 GLU  HA          4.50    (#    110:25  Preassigned    2.95, 2.95 A)
 &rst
  ixpk= 110, nxpk= 25, iat= 542, 544, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:111     48 LYS  HA          3.50    (#    111:25  Single Ambig)
 &rst
  ixpk= 111, nxpk= 25, iat=  -1, 758, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 763, 764, 763, 764,
 &end
#
#    0 AMB  25-3:112     48 LYS  HA          2.80    (#    112:25  Single Ambig)
 &rst
  ixpk= 112, nxpk= 25, iat=  -1, 758, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 766, 767, 766, 767, 760, 761, 760, 761,
 &end
#
#   48 LYS  HN           48 LYS  HA          4.50    (#    113:25  Preassigned    2.92, 2.94 A)
 &rst
  ixpk= 113, nxpk= 25, iat= 756, 758, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   49 GLN  HN           48 LYS  HA          2.80    (#    114:25  Preassigned    2.15, 2.29 A)
 &rst
  ixpk= 114, nxpk= 25, iat= 778, 758, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   54 ARG  HG-          54 ARG  HA          4.50    (#    115:25  Preassigned    2.37, 3.07 A)
 &rst
  ixpk= 115, nxpk= 25, iat=  -1, 850, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 855, 856,
 &end
#
#   54 ARG  HB-          54 ARG  HA          4.50    (#    116:25  Preassigned    2.53, 2.78 A)
 &rst
  ixpk= 116, nxpk= 25, iat=  -1, 850, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 852, 853,
 &end
#
#   54 ARG  HB+          54 ARG  HA          4.50    (#    117:25  Preassigned    2.53, 2.78 A)
 &rst
  ixpk= 117, nxpk= 25, iat=  -1, 850, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 852, 853,
 &end
#
#   55 THR  HN           54 ARG  HA          3.50    (#    118:25  Preassigned    2.54, 2.56 A)
 &rst
  ixpk= 118, nxpk= 25, iat= 872, 850, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   60 ASN  HB-          60 ASN  HA          3.50    (#    119:25  Preassigned    2.24, 2.81 A)
 &rst
  ixpk= 119, nxpk= 25, iat=  -1, 951, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 953, 954,
 &end
#
#   60 ASN  HB+          60 ASN  HA          3.50    (#    120:25  Preassigned    2.24, 2.81 A)
 &rst
  ixpk= 120, nxpk= 25, iat=  -1, 951, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 953, 954,
 &end
#
#   61 ILE  HN           60 ASN  HA          3.50    (#    121:25  Preassigned    2.86, 3.04 A)
 &rst
  ixpk= 121, nxpk= 25, iat= 963, 951, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   60 ASN  HN           60 ASN  HA          2.80    (#    122:25  Preassigned    2.28, 2.28 A)
 &rst
  ixpk= 122, nxpk= 25, iat= 949, 951, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  25-3:123      1 MET  HA          3.50    (#    123:25  Single Ambig)
 &rst
  ixpk= 123, nxpk= 25, iat=  -1,   6, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   8,   9,   8,   9,
 &end
#
#    2 GLN  HN            1 MET  HA          3.50    (#    124:25  Preassigned    2.57, 2.60 A)
 &rst
  ixpk= 124, nxpk= 25, iat=  21,   6, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   63 LYS  HN           62 GLN  HA          3.50    (#    125:25  Preassigned    2.29, 2.31 A)
 &rst
  ixpk= 125, nxpk= 25, iat= 999, 984, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   62 GLN  HN           62 GLN  HA          3.50    (#    126:25  Preassigned    2.94, 2.94 A)
 &rst
  ixpk= 126, nxpk= 25, iat= 982, 984, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   62 GLN  HG-          62 GLN  HA          2.80    (#    127:25  Preassigned    2.62, 3.21 A)
 &rst
  ixpk= 127, nxpk= 25, iat=  -1, 984, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 989, 990,
 &end
#
#    0 AMB  25-3:128     62 GLN  HA          3.50    (#    128:25  Single Ambig)
 &rst
  ixpk= 128, nxpk= 25, iat=  -1, 984, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 986, 987, 986, 987,
 &end
#
#    1 MET  QE           62 GLN  HA          4.50    (#    129:25  Preassigned    3.23, 4.35 A)
 &rst
  ixpk= 129, nxpk= 25, iat=  -1, 984, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  15,  16,  17,
 &end
#
#    0 AMB  25-3:130     15 LEU  HA          3.50    (#    130:25  Single Ambig)
 &rst
  ixpk= 130, nxpk= 25, iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 247, 248, 249, 251, 252, 253, 247, 248, 249, 251,
       252, 253, 218, 219, 220, 278, 279, 280, 282, 283,
       284,
 &end
#
#   15 LEU  HB+          15 LEU  HA          4.50    (#    131:25  Preassigned    2.30, 2.44 A)
 &rst
  ixpk= 131, nxpk= 25, iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 242, 243,
 &end
#
#   16 GLU  HN           15 LEU  HA          3.50    (#    132:25  Preassigned    2.17, 2.18 A)
 &rst
  ixpk= 132, nxpk= 25, iat= 257, 240, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   37 PRO  HG+          37 PRO  HD+         3.50    (#    133:25  Preassigned    2.30, 2.58 A)
 &rst
  ixpk= 133, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 587, 588,
 igr2= 584, 585,
 &end
#
#   36 ILE  HA           37 PRO  HD+         3.50    (#    134:25  Preassigned    2.07, 2.17 A)
 &rst
  ixpk= 134, nxpk= 25, iat= 566,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 584, 585,
 &end
#
#   35 GLY  HN           35 GLY  HA-         3.50    (#    135:25  Preassigned    2.37, 2.66 A)
 &rst
  ixpk= 135, nxpk= 25, iat= 557,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 559, 560,
 &end
#
#   47 GLY  HN           47 GLY  HA-         3.50    (#    136:25  Preassigned    2.30, 2.59 A)
 &rst
  ixpk= 136, nxpk= 25, iat= 749,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 751, 752,
 &end
#
#    8 LEU  HA           10 GLY  HA-         5.50    (#    137:25  Unique         4.92, 5.64 A)
 &rst
  ixpk= 137, nxpk= 25, iat= 131,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 164, 165,
 &end
#
#   10 GLY  HN           10 GLY  HA-         3.50    (#    138:25  Preassigned    2.39, 2.68 A)
 &rst
  ixpk= 138, nxpk= 25, iat= 162,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 164, 165,
 &end
#
#   56 LEU  HN           55 THR  HB          3.50    (#    139:25  Preassigned    2.41, 2.48 A)
 &rst
  ixpk= 139, nxpk= 25, iat= 886, 876, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   55 THR  HA           55 THR  HB          3.50    (#    140:25  Preassigned    2.55, 2.57 A)
 &rst
  ixpk= 140, nxpk= 25, iat= 874, 876, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   55 THR  QG2          55 THR  HB          3.50    (#    141:25  Preassigned    2.27, 2.64 A)
 &rst
  ixpk= 141, nxpk= 25, iat=  -1, 876, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 878, 879, 880,
 &end
#
#    9 THR  QG2           9 THR  HB          3.50    (#    142:25  Preassigned    2.30, 2.64 A)
 &rst
  ixpk= 142, nxpk= 25, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 154, 155, 156,
 &end
#
#    9 THR  HA            9 THR  HB          3.50    (#    143:25  Preassigned    2.99, 3.00 A)
 &rst
  ixpk= 143, nxpk= 25, iat= 150, 152, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:144     38 PRO  HA          3.50    (#    144:25  Single Ambig)
 &rst
  ixpk= 144, nxpk= 25, iat=  -1, 607, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 425, 426, 428, 429,
 &end
#
#    0 AMB  25-3:145     38 PRO  HA          3.50    (#    145:25  Single Ambig)
 &rst
  ixpk= 145, nxpk= 25, iat=  -1, 607, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 604, 605, 422, 423,
 &end
#
#   38 PRO  HB+          38 PRO  HA          3.50    (#    146:25  Preassigned    2.30, 2.51 A)
 &rst
  ixpk= 146, nxpk= 25, iat=  -1, 607, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 604, 605,
 &end
#
#   20 SER  HA           20 SER  HB+         3.50    (#    147:25  Preassigned    2.24, 2.51 A)
 &rst
  ixpk= 147, nxpk= 25, iat= 319,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 321, 322,
 &end
#
#    0 AMB  25-3:148     24 GLU  HA          3.50    (#    148:25  Single Ambig)
 &rst
  ixpk= 148, nxpk= 25, iat=  -1, 375, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 377, 378, 377, 378,
 &end
#
#    0 AMB  25-3:149     24 GLU  HA          3.50    (#    149:25  Single Ambig)
 &rst
  ixpk= 149, nxpk= 25, iat=  -1, 375, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 380, 381, 380, 381,
 &end
#
#   31 GLN  HB-          31 GLN  HA          3.50    (#    150:25  Preassigned    2.44, 2.74 A)
 &rst
  ixpk= 150, nxpk= 25, iat=  -1, 493, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 495, 496,
 &end
#
#   31 GLN  HG-          31 GLN  HA          3.50    (#    151:25  Preassigned    2.50, 2.87 A)
 &rst
  ixpk= 151, nxpk= 25, iat=  -1, 493, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 498, 499,
 &end
#
#   36 ILE  HN           31 GLN  HA          3.50    (#    152:25  Preassigned    2.00, 2.03 A)
 &rst
  ixpk= 152, nxpk= 25, iat= 564, 493, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:153     31 GLN  HA          3.50    (#    153:25  Single Ambig)
 &rst
  ixpk= 153, nxpk= 25, iat=  -1, 493, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 557, 491,
 &end
#
#   61 ILE  QD1          56 LEU  HA          3.50    (#    154:25  Preassigned    1.92, 2.80 A)
 &rst
  ixpk= 154, nxpk= 25, iat=  -1, 888, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 976, 977, 978,
 &end
#
#   56 LEU  QD+          56 LEU  HA          3.50    (#    155:25  Unique         1.93, 3.64 A)
 &rst
  ixpk= 155, nxpk= 25, iat=  -1, 888, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 895, 896, 897, 899, 900, 901,
 &end
#
#    0 AMB  25-3:156     63 LYS  HA          4.50    (#    156:25  Single Ambig)
 &rst
  ixpk= 156, nxpk= 25, iat=  -1,1001, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1006,1007,1006,1007,
 &end
#
#   63 LYS  HB+          63 LYS  HA          3.50    (#    157:25  Preassigned    2.27, 2.60 A)
 &rst
  ixpk= 157, nxpk= 25, iat=  -1,1001, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1003,1004,
 &end
#
#   63 LYS  HN           63 LYS  HA          3.50    (#    159:25  Preassigned    2.27, 2.27 A)
 &rst
  ixpk= 159, nxpk= 25, iat= 999,1001, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:160     41 GLN  HA          3.50    (#    160:25  Single Ambig)
 &rst
  ixpk= 160, nxpk= 25, iat=  -1, 642, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1141,1142,1143,1145,1146,1147,1106,1107,1108,1110,
      1111,1112,
 &end
#
#   42 ARG  HN           41 GLN  HA          3.50    (#    161:25  Preassigned    2.17, 2.18 A)
 &rst
  ixpk= 161, nxpk= 25, iat= 657, 642, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   50 LEU  QD-          50 LEU  HA          3.50    (#    162:25  Preassigned    2.04, 4.02 A)
 &rst
  ixpk= 162, nxpk= 25, iat=  -1, 797, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 804, 805, 806, 808, 809, 810,
 &end
#
#    0 AMB  25-3:163     50 LEU  HA          3.50    (#    163:25  Single Ambig)
 &rst
  ixpk= 163, nxpk= 25, iat=  -1, 797, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 799, 800, 802,
 &end
#
#   51 GLU  HN           50 LEU  HA          3.50    (#    164:25  Preassigned    2.39, 2.46 A)
 &rst
  ixpk= 164, nxpk= 25, iat= 814, 797, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   46 ALA  HN           46 ALA  HA          3.50    (#    165:25  Preassigned    2.28, 2.28 A)
 &rst
  ixpk= 165, nxpk= 25, iat= 739, 741, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   47 GLY  HN           46 ALA  HA          3.50    (#    166:25  Preassigned    2.67, 2.71 A)
 &rst
  ixpk= 166, nxpk= 25, iat= 749, 741, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   46 ALA  QB           46 ALA  HA          2.80    (#    167:25  Preassigned    2.28, 2.63 A)
 &rst
  ixpk= 167, nxpk= 25, iat=  -1, 741, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 743, 744, 745,
 &end
#
#   38 PRO  HG-           0 AMB  25-1:168    3.50    (#    168:25  Single Ambig)
 &rst
  ixpk= 168, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 601, 602,
 igr2= 598, 599, 598, 599,
 &end
#
#    0 AMB  25-3:169      0 AMB  25-1:169    3.50    (#    169:25  Double Ambig)
 &rst
  ixpk= 169, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 495, 496, 498, 499, 498, 499,
 igr2= 598, 599, 598, 599, 598, 599,
 &end
#
#    0 AMB  25-3:170      0 AMB  25-1:170    3.50    (#    170:25  Double Ambig)
 &rst
  ixpk= 170, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 601, 602, 601, 602, 604, 605,
 igr2= 598, 599, 598, 599,
 &end
#
#    0 AMB  25-3:171      0 AMB  25-1:171    3.50    (#    171:25  Double Ambig)
 &rst
  ixpk= 171, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 590, 591, 590, 591,
 igr2= 598, 599, 598, 599,
 &end
#
#   37 PRO  HA            0 AMB  25-1:172    2.80    (#    172:25  Single Ambig)
 &rst
  ixpk= 172, nxpk= 25, iat= 593,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 598, 599, 598, 599,
 &end
#
#   36 ILE  QG2          37 PRO  HD-         3.50    (#    173:25  Preassigned    2.07, 3.50 A)
 &rst
  ixpk= 173, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 570, 571, 572,
 igr2= 584, 585,
 &end
#
#   37 PRO  HG+          37 PRO  HD-         3.50    (#    174:25  Preassigned    2.30, 2.58 A)
 &rst
  ixpk= 174, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 587, 588,
 igr2= 584, 585,
 &end
#
#   36 ILE  HA           37 PRO  HD-         3.50    (#    175:25  Preassigned    2.07, 2.17 A)
 &rst
  ixpk= 175, nxpk= 25, iat= 566,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 584, 585,
 &end
#
#   19 PRO  HG-          19 PRO  HD-         3.50    (#    176:25  Preassigned    2.30, 2.58 A)
 &rst
  ixpk= 176, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 307, 308,
 igr2= 304, 305,
 &end
#
#   19 PRO  HG+          19 PRO  HD-         3.50    (#    177:25  Preassigned    2.30, 2.58 A)
 &rst
  ixpk= 177, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 307, 308,
 igr2= 304, 305,
 &end
#
#   18 GLU  HA           19 PRO  HD-         3.50    (#    178:25  Preassigned    2.26, 2.30 A)
 &rst
  ixpk= 178, nxpk= 25, iat= 290,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 304, 305,
 &end
#
#   18 GLU  HA           19 PRO  HD+         3.50    (#    179:25  Preassigned    2.26, 2.30 A)
 &rst
  ixpk= 179, nxpk= 25, iat= 290,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 304, 305,
 &end
#
#   19 PRO  HG+          19 PRO  HD+         3.50    (#    180:25  Preassigned    2.30, 2.58 A)
 &rst
  ixpk= 180, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 307, 308,
 igr2= 304, 305,
 &end
#
#   19 PRO  HG-          19 PRO  HD+         3.50    (#    181:25  Preassigned    2.30, 2.58 A)
 &rst
  ixpk= 181, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 307, 308,
 igr2= 304, 305,
 &end
#
#   35 GLY  HN           35 GLY  HA+         3.50    (#    182:25  Preassigned    2.37, 2.66 A)
 &rst
  ixpk= 182, nxpk= 25, iat= 557,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 559, 560,
 &end
#
#   75 GLY  HN           75 GLY  HA-         3.50    (#    183:25  Preassigned    2.30, 2.71 A)
 &rst
  ixpk= 183, nxpk= 25, iat=1218,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1220,1221,
 &end
#
#   76 GLY  HN           75 GLY  HA-         3.50    (#    184:25  Preassigned    2.67, 3.21 A)
 &rst
  ixpk= 184, nxpk= 25, iat=1225,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1220,1221,
 &end
#
#   74 ARG  HA           75 GLY  HA-         4.50    (#    185:25  Preassigned    4.31, 4.48 A)
 &rst
  ixpk= 185, nxpk= 25, iat=1196,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1220,1221,
 &end
#
#   10 GLY  HN           10 GLY  HA+         3.50    (#    187:25  Preassigned    2.39, 2.68 A)
 &rst
  ixpk= 187, nxpk= 25, iat= 162,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 164, 165,
 &end
#
#   66 THR  HN           66 THR  HB          3.50    (#    188:25  Preassigned    2.45, 2.58 A)
 &rst
  ixpk= 188, nxpk= 25, iat=1047,1051, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   66 THR  QG2          66 THR  HB          2.80    (#    189:25  Preassigned    2.39, 2.64 A)
 &rst
  ixpk= 189, nxpk= 25, iat=  -1,1051, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1053,1054,1055,
 &end
#
#   12 THR  HN           12 THR  HB          3.50    (#    190:25  Preassigned    2.70, 2.87 A)
 &rst
  ixpk= 190, nxpk= 25, iat= 191, 195, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   12 THR  QG2          12 THR  HB          2.80    (#    191:25  Preassigned    2.23, 2.64 A)
 &rst
  ixpk= 191, nxpk= 25, iat=  -1, 195, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 197, 198, 199,
 &end
#
#   14 THR  HN           14 THR  HB          3.50    (#    192:25  Preassigned    2.65, 2.66 A)
 &rst
  ixpk= 192, nxpk= 25, iat= 224, 228, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   14 THR  QG2          14 THR  HB          3.50    (#    193:25  Preassigned    2.38, 2.64 A)
 &rst
  ixpk= 193, nxpk= 25, iat=  -1, 228, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 230, 231, 232,
 &end
#
#    1 MET  QE           19 PRO  HA          3.50    (#    194:25  Preassigned    1.97, 2.97 A)
 &rst
  ixpk= 194, nxpk= 25, iat=  -1, 313, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  15,  16,  17,
 &end
#
#   19 PRO  HG-          19 PRO  HA          3.50    (#    195:25  Preassigned    3.85, 3.94 A)
 &rst
  ixpk= 195, nxpk= 25, iat=  -1, 313, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 307, 308,
 &end
#
#   19 PRO  HB+          19 PRO  HA          3.50    (#    196:25  Preassigned    2.30, 2.51 A)
 &rst
  ixpk= 196, nxpk= 25, iat=  -1, 313, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 310, 311,
 &end
#
#   61 ILE  QG2          65 SER  HB-         3.50    (#    197:25  Preassigned    1.94, 2.77 A)
 &rst
  ixpk= 197, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 969, 970, 971,
 igr2=1040,1041,
 &end
#
#   65 SER  HN           65 SER  HB-         3.50    (#    198:25  Preassigned    2.32, 2.83 A)
 &rst
  ixpk= 198, nxpk= 25, iat=1036,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1040,1041,
 &end
#
#   20 SER  HN           20 SER  HB-         4.50    (#    199:25  Preassigned    3.36, 3.42 A)
 &rst
  ixpk= 199, nxpk= 25, iat= 317,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 321, 322,
 &end
#
#   20 SER  HA           20 SER  HB-         3.50    (#    200:25  Preassigned    2.24, 2.51 A)
 &rst
  ixpk= 200, nxpk= 25, iat= 319,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 321, 322,
 &end
#
#   57 SER  HN           57 SER  HB+         3.50    (#    201:25  Preassigned    2.17, 2.91 A)
 &rst
  ixpk= 201, nxpk= 25, iat= 905,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 909, 910,
 &end
#
#   57 SER  HN           57 SER  HB-         3.50    (#    202:25  Preassigned    2.17, 2.91 A)
 &rst
  ixpk= 202, nxpk= 25, iat= 905,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 909, 910,
 &end
#
#   57 SER  HA           57 SER  HB-         3.50    (#    203:25  Preassigned    2.44, 2.72 A)
 &rst
  ixpk= 203, nxpk= 25, iat= 907,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 909, 910,
 &end
#
#   57 SER  HA           57 SER  HB+         3.50    (#    204:25  Preassigned    2.44, 2.72 A)
 &rst
  ixpk= 204, nxpk= 25, iat= 907,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 909, 910,
 &end
#
#   23 ILE  QD1          23 ILE  HA          2.80    (#    205:25  Preassigned    1.92, 2.66 A)
 &rst
  ixpk= 205, nxpk= 25, iat=  -1, 356, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 367, 368, 369,
 &end
#
#    0 AMB  25-3:206     23 ILE  HA          3.50    (#    206:25  Single Ambig)
 &rst
  ixpk= 206, nxpk= 25, iat=  -1, 356, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 360, 361, 362, 895, 896, 897, 899, 900, 901, 690,
       691, 692, 694, 695, 696,
 &end
#
#   26 VAL  QG+          23 ILE  HA          3.50    (#    207:25  Preassigned    2.38, 4.04 A)
 &rst
  ixpk= 207, nxpk= 25, iat=  -1, 356, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 408, 409, 410, 412, 413, 414,
 &end
#
#   26 VAL  HB           23 ILE  HA          3.50    (#    208:25  Preassigned    2.38, 2.41 A)
 &rst
  ixpk= 208, nxpk= 25, iat= 406, 356, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:209     23 ILE  HA          3.50    (#    209:25  Single Ambig)
 &rst
  ixpk= 209, nxpk= 25, iat=  -1, 356, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 354, 418,
 &end
#
#    0 AMB  25-3:210     64 GLU  HA          3.50    (#    210:25  Single Ambig)
 &rst
  ixpk= 210, nxpk= 25, iat=  -1,1023, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1028,1029,1028,1029,
 &end
#
#   64 GLU  HB-          64 GLU  HA          3.50    (#    211:25  Preassigned    2.43, 2.74 A)
 &rst
  ixpk= 211, nxpk= 25, iat=  -1,1023, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1025,1026,
 &end
#
#   64 GLU  HB+          64 GLU  HA          3.50    (#    212:25  Preassigned    2.43, 2.74 A)
 &rst
  ixpk= 212, nxpk= 25, iat=  -1,1023, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1025,1026,
 &end
#
#    4 PHE  HE1          64 GLU  HA          3.50    (#    213:25  Preassigned    3.23, 3.26 A)
 &rst
  ixpk= 213, nxpk= 25, iat=  67,1023, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   64 GLU  HN           64 GLU  HA          3.50    (#    214:25  Preassigned    2.29, 2.31 A)
 &rst
  ixpk= 214, nxpk= 25, iat=1021,1023, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   47 GLY  HN           47 GLY  HA+         3.50    (#    215:25  Preassigned    2.30, 2.59 A)
 &rst
  ixpk= 215, nxpk= 25, iat= 749,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 751, 752,
 &end
#
#    0 AMB  25-3:216     42 ARG  HD-         3.50    (#    216:25  Single Ambig)
 &rst
  ixpk= 216, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 664, 665, 664, 665,
 igr2= 667, 668,
 &end
#
#    0 AMB  25-3:217      0 AMB  25-1:217    3.50    (#    217:25  Double Ambig)
 &rst
  ixpk= 217, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 664, 665, 664, 665,
 igr2= 667, 668, 667, 668,
 &end
#
#    0 AMB  25-3:218      0 AMB  25-1:218    3.50    (#    218:25  Double Ambig)
 &rst
  ixpk= 218, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 613, 625,
 igr2=1161,1162,1161,1162,1161,1162,
 &end
#
#    0 AMB  25-3:220      0 AMB  25-1:220    3.50    (#    220:25  Double Ambig)
 &rst
  ixpk= 220, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1=1155,1156,1198,1199,1198,1199,
 igr2=1161,1162,1161,1162,1204,1205,1204,1205,
 &end
#
#    0 AMB  25-3:221      0 AMB  25-1:221    2.80    (#    221:25  Double Ambig)
 &rst
  ixpk= 221, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 664, 665, 664, 665, 664, 665,
 igr2=1161,1162,1161,1162,1161,1162,
 &end
#
#    0 AMB  25-3:222      0 AMB  25-1:222    2.80    (#    222:25  Double Ambig)
 &rst
  ixpk= 222, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1179,1180,1179,1180,
 igr2=1204,1205,1204,1205,
 &end
#
#    0 AMB  25-3:224      0 AMB  25-1:224    3.50    (#    224:25  Double Ambig)
 &rst
  ixpk= 224, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1196,1153,
 igr2=1204,1205,1204,1205,1161,1162,
 &end
#
#   54 ARG  HG-          54 ARG  HD+         4.50    (#    225:25  Preassigned    2.26, 2.71 A)
 &rst
  ixpk= 225, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 855, 856,
 igr2= 858, 859,
 &end
#
#   54 ARG  HG-          54 ARG  HD-         4.50    (#    226:25  Preassigned    2.26, 2.71 A)
 &rst
  ixpk= 226, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 855, 856,
 igr2= 858, 859,
 &end
#
#   54 ARG  HG+          54 ARG  HD-         4.50    (#    227:25  Preassigned    2.26, 2.71 A)
 &rst
  ixpk= 227, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 855, 856,
 igr2= 858, 859,
 &end
#
#   54 ARG  HG+          54 ARG  HD+         4.50    (#    228:25  Preassigned    2.26, 2.71 A)
 &rst
  ixpk= 228, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 855, 856,
 igr2= 858, 859,
 &end
#
#   54 ARG  HB+          54 ARG  HD+         4.50    (#    229:25  Preassigned    2.00, 3.07 A)
 &rst
  ixpk= 229, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 852, 853,
 igr2= 858, 859,
 &end
#
#   54 ARG  HB+          54 ARG  HD-         4.50    (#    230:25  Preassigned    2.00, 3.07 A)
 &rst
  ixpk= 230, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 852, 853,
 igr2= 858, 859,
 &end
#
#   17 VAL  QG-          29 LYS  HE-         4.50    (#    231:25  Preassigned    2.72, 5.08 A)
 &rst
  ixpk= 231, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 278, 279, 280, 282, 283, 284,
 igr2= 463, 464,
 &end
#
#   29 LYS  HD-          29 LYS  HE-         3.50    (#    232:25  Preassigned    2.22, 2.68 A)
 &rst
  ixpk= 232, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 460, 461,
 igr2= 463, 464,
 &end
#
#   29 LYS  HG+          29 LYS  HE-         3.50    (#    233:25  Preassigned    2.22, 2.93 A)
 &rst
  ixpk= 233, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 457, 458,
 igr2= 463, 464,
 &end
#
#    0 AMB  25-3:234     29 LYS  HE-         3.50    (#    234:25  Single Ambig)
 &rst
  ixpk= 234, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 457, 458, 460, 461,
 igr2= 463, 464,
 &end
#
#    0 AMB  25-3:235      0 AMB  25-1:235    3.50    (#    235:25  Double Ambig)
 &rst
  ixpk= 235, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1= 218, 219, 220, 278, 279, 280, 282, 283, 284, 247,
       248, 249, 251, 252, 253, 247, 248, 249, 251, 252,
       253,
 igr2= 533, 534, 533, 534, 463, 464, 533, 534, 533, 534,
      
 &end
#
#   29 LYS  HD-          29 LYS  HE+         3.50    (#    236:25  Preassigned    2.22, 2.68 A)
 &rst
  ixpk= 236, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 460, 461,
 igr2= 463, 464,
 &end
#
#    0 AMB  25-3:237      0 AMB  25-1:237    3.50    (#    237:25  Double Ambig)
 &rst
  ixpk= 237, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr1= 457, 458, 527, 528, 527, 528, 527, 528,
 igr2= 463, 464, 533, 534, 533, 534, 533, 534,
 &end
#
#    0 AMB  25-3:238      0 AMB  25-1:238    3.50    (#    238:25  Double Ambig)
 &rst
  ixpk= 238, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 457, 458, 460, 461,
 igr2= 463, 464, 463, 464,
 &end
#
#    0 AMB  25-3:239      0 AMB  25-1:239    4.50    (#    239:25  Double Ambig)
 &rst
  ixpk= 239, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.75, r4= 9.25,
 igr1= 218, 219, 220, 247, 248, 249, 251, 252, 253,
 igr2= 533, 534, 533, 534, 533, 534,
 &end
#
#    0 AMB  25-3:240      0 AMB  25-1:240    3.50    (#    240:25  Double Ambig)
 &rst
  ixpk= 240, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 527, 528, 527, 528, 527, 528,
 igr2= 533, 534, 533, 534, 533, 534,
 &end
#
#    0 AMB  25-3:241      0 AMB  25-1:241    3.50    (#    241:25  Double Ambig)
 &rst
  ixpk= 241, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 530, 531, 530, 531, 530, 531,
 igr2= 533, 534, 533, 534, 533, 534,
 &end
#
#   13 ILE  QG2           0 AMB  25-1:242    4.50    (#    242:25  Single Ambig)
 &rst
  ixpk= 242, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 211, 212, 213,
 igr2= 533, 534, 533, 534,
 &end
#
#   33 LYS  HB-           0 AMB  25-1:243    3.50    (#    243:25  Single Ambig)
 &rst
  ixpk= 243, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 524, 525,
 igr2= 533, 534, 533, 534,
 &end
#
#    0 AMB  25-3:244      0 AMB  25-1:244    2.80    (#    244:25  Double Ambig)
 &rst
  ixpk= 244, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1006,1007,1006,1007,1006,1007,
 igr2=1012,1013,1012,1013,1012,1013,
 &end
#
#    0 AMB  25-3:245      0 AMB  25-1:245    2.80    (#    245:25  Double Ambig)
 &rst
  ixpk= 245, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1009,1010,1009,1010,
 igr2=1012,1013,1012,1013,
 &end
#
#    0 AMB  25-3:246      0 AMB  25-1:246    4.50    (#    246:25  Double Ambig)
 &rst
  ixpk= 246, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1003,1004,1003,1004,
 igr2=1012,1013,1012,1013,
 &end
#
#   63 LYS  HB-           0 AMB  25-1:247    4.50    (#    247:25  Single Ambig)
 &rst
  ixpk= 247, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1003,1004,
 igr2=1012,1013,1012,1013,
 &end
#
#    0 AMB  25-3:248      0 AMB  25-1:248    7.00    (#    248:25  Double Ambig)
 &rst
  ixpk= 248, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=14.00, r4=14.50,
 igr1=1028,1029,1028,1029,1028,1029, 989, 990,
 igr2=1012,1013,1012,1013,1012,1013,1012,1013,
 &end
#
#   11 LYS  HG-           0 AMB  25-1:249    3.50    (#    249:25  Single Ambig)
 &rst
  ixpk= 249, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 176, 177,
 igr2= 182, 183, 182, 183,
 &end
#
#    0 AMB  25-3:250      0 AMB  25-1:250    3.50    (#    250:25  Double Ambig)
 &rst
  ixpk= 250, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 176, 177, 176, 177,
 igr2= 182, 183, 182, 183,
 &end
#
#    0 AMB  25-3:251      0 AMB  25-1:251    3.50    (#    251:25  Double Ambig)
 &rst
  ixpk= 251, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 179, 180, 179, 180, 179, 180,
 igr2= 182, 183, 182, 183, 182, 183,
 &end
#
#   21 ASP  HN           21 ASP  HB-         4.50    (#    252:25  Preassigned    2.13, 2.85 A)
 &rst
  ixpk= 252, nxpk= 25, iat= 328,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 332, 333,
 &end
#
#   58 ASP  HN           58 ASP  HB+         4.50    (#    253:25  Preassigned    2.13, 2.57 A)
 &rst
  ixpk= 253, nxpk= 25, iat= 916,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 920, 921,
 &end
#
#    0 AMB  25-3:254     59 TYR  HB-         3.50    (#    254:25  Single Ambig)
 &rst
  ixpk= 254, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 936, 945, 928,
 igr2= 932, 933,
 &end
#
#   25 ASN  HA           25 ASN  HB+         4.50    (#    255:25  Preassigned    2.25, 2.49 A)
 &rst
  ixpk= 255, nxpk= 25, iat= 390,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 392, 393,
 &end
#
#   21 ASP  HB-          25 ASN  HB+         5.50    (#    256:25  Preassigned    3.30, 4.97 A)
 &rst
  ixpk= 256, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 332, 333,
 igr2= 392, 393,
 &end
#
#   25 ASN  HN           25 ASN  HB+         3.50    (#    257:25  Unique         2.10, 2.90 A)
 &rst
  ixpk= 257, nxpk= 25, iat= 388,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 392, 393,
 &end
#
#   60 ASN  HA           60 ASN  HB+         3.50    (#    258:25  Preassigned    2.24, 2.81 A)
 &rst
  ixpk= 258, nxpk= 25, iat= 951,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 953, 954,
 &end
#
#   60 ASN  HD2+         60 ASN  HB+         3.50    (#    259:25  Preassigned    2.43, 3.49 A)
 &rst
  ixpk= 259, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 958, 959,
 igr2= 953, 954,
 &end
#
#    0 AMB  25-3:260     26 VAL  HA          2.80    (#    260:25  Single Ambig)
 &rst
  ixpk= 260, nxpk= 25, iat=  -1, 404, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 408, 409, 410, 412, 413, 414, 278, 279, 280, 282,
       283, 284,
 &end
#
#   26 VAL  QG+          26 VAL  HA          3.50    (#    261:25  Preassigned    2.32, 3.11 A)
 &rst
  ixpk= 261, nxpk= 25, iat=  -1, 404, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 408, 409, 410, 412, 413, 414,
 &end
#
#   26 VAL  HN           26 VAL  HA          4.50    (#    262:25  Preassigned    2.79, 2.81 A)
 &rst
  ixpk= 262, nxpk= 25, iat= 402, 404, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 ILE  HG1+         30 ILE  HA          3.50    (#    263:25  Preassigned    3.53, 3.58 A)
 &rst
  ixpk= 263, nxpk= 25, iat=  -1, 474, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 482, 483,
 &end
#
#   30 ILE  QD1          30 ILE  HA          3.50    (#    264:25  Unique         1.93, 2.81 A)
 &rst
  ixpk= 264, nxpk= 25, iat=  -1, 474, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 485, 486, 487,
 &end
#
#    0 AMB  25-3:265     30 ILE  HA          2.80    (#    265:25  Single Ambig)
 &rst
  ixpk= 265, nxpk= 25, iat=  -1, 474, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 478, 479, 480, 218, 219, 220,
 &end
#
#   30 ILE  HN           30 ILE  HA          4.50    (#    266:25  Preassigned    2.79, 2.80 A)
 &rst
  ixpk= 266, nxpk= 25, iat= 472, 474, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   61 ILE  QG2          61 ILE  HA          3.50    (#    267:25  Preassigned    2.45, 3.15 A)
 &rst
  ixpk= 267, nxpk= 25, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 969, 970, 971,
 &end
#
#   61 ILE  HN           61 ILE  HA          3.50    (#    268:25  Preassigned    2.80, 2.90 A)
 &rst
  ixpk= 268, nxpk= 25, iat= 963, 965, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   62 GLN  HN           61 ILE  HA          2.80    (#    269:25  Preassigned    2.20, 2.22 A)
 &rst
  ixpk= 269, nxpk= 25, iat= 982, 965, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  25-3:270     45 PHE  HB-         3.50    (#    270:25  Single Ambig)
 &rst
  ixpk= 270, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 735, 727,
 igr2= 723, 724,
 &end
#
#   66 THR  QG2           0 AMB  25-1:271    4.50    (#    271:25  Single Ambig)
 &rst
  ixpk= 271, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1053,1054,1055,
 igr2= 106, 107, 106, 107,
 &end
#
#   12 THR  QG2           0 AMB  25-1:272    4.50    (#    272:25  Single Ambig)
 &rst
  ixpk= 272, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 197, 198, 199,
 igr2= 106, 107, 106, 107,
 &end
#
#    6 LYS  HG-           0 AMB  25-1:273    3.50    (#    273:25  Single Ambig)
 &rst
  ixpk= 273, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 100, 101,
 igr2= 106, 107, 106, 107,
 &end
#
#    0 AMB  25-3:274      0 AMB  25-1:274    3.50    (#    274:25  Double Ambig)
 &rst
  ixpk= 274, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 100, 101, 100, 101,
 igr2= 106, 107, 106, 107,
 &end
#
#    0 AMB  25-3:275      0 AMB  25-1:275    2.80    (#    275:25  Double Ambig)
 &rst
  ixpk= 275, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1=  97,  98, 103, 104, 103, 104, 103, 104,
 igr2= 106, 107, 106, 107, 106, 107, 106, 107,
 &end
#
#   32 ASP  HN           32 ASP  HB+         3.50    (#    276:25  Preassigned    2.14, 2.68 A)
 &rst
  ixpk= 276, nxpk= 25, iat= 508,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 512, 513,
 &end
#
#   32 ASP  HN           32 ASP  HB-         3.50    (#    277:25  Preassigned    2.14, 2.68 A)
 &rst
  ixpk= 277, nxpk= 25, iat= 508,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 512, 513,
 &end
#
#   33 LYS  HN           32 ASP  HB-         3.50    (#    278:25  Preassigned    3.41, 3.56 A)
 &rst
  ixpk= 278, nxpk= 25, iat= 520,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 512, 513,
 &end
#
#   33 LYS  HN           32 ASP  HB+         3.50    (#    279:25  Preassigned    3.41, 3.56 A)
 &rst
  ixpk= 279, nxpk= 25, iat= 520,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 512, 513,
 &end
#
#   32 ASP  HA           32 ASP  HB+         3.50    (#    280:25  Preassigned    2.77, 2.85 A)
 &rst
  ixpk= 280, nxpk= 25, iat= 510,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 512, 513,
 &end
#
#   32 ASP  HA           32 ASP  HB-         3.50    (#    281:25  Preassigned    2.77, 2.85 A)
 &rst
  ixpk= 281, nxpk= 25, iat= 510,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 512, 513,
 &end
#
#   29 LYS  HA           32 ASP  HB-         4.50    (#    282:25  Preassigned    2.98, 3.54 A)
 &rst
  ixpk= 282, nxpk= 25, iat= 452,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 512, 513,
 &end
#
#   29 LYS  HA           32 ASP  HB+         3.50    (#    283:25  Unique         2.98, 3.54 A)
 &rst
  ixpk= 283, nxpk= 25, iat= 452,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 512, 513,
 &end
#
#   12 THR  QG2           4 PHE  HB+         3.50    (#    284:25  Preassigned    2.07, 2.99 A)
 &rst
  ixpk= 284, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 197, 198, 199,
 igr2=  61,  62,
 &end
#
#   52 ASP  HN           52 ASP  HB-         3.50    (#    285:25  Preassigned    2.09, 2.90 A)
 &rst
  ixpk= 285, nxpk= 25, iat= 829,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 833, 834,
 &end
#
#   21 ASP  HN           21 ASP  HB+         3.50    (#    286:25  Preassigned    2.13, 2.85 A)
 &rst
  ixpk= 286, nxpk= 25, iat= 328,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 332, 333,
 &end
#
#   39 ASP  HN           39 ASP  HB+         3.50    (#    287:25  Preassigned    2.10, 2.99 A)
 &rst
  ixpk= 287, nxpk= 25, iat= 611,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 615, 616,
 &end
#
#   39 ASP  HN           39 ASP  HB-         3.50    (#    288:25  Preassigned    2.10, 2.99 A)
 &rst
  ixpk= 288, nxpk= 25, iat= 611,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 615, 616,
 &end
#
#   39 ASP  HA           39 ASP  HB+         3.50    (#    289:25  Preassigned    2.36, 2.70 A)
 &rst
  ixpk= 289, nxpk= 25, iat= 613,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 615, 616,
 &end
#
#   39 ASP  HA           39 ASP  HB-         3.50    (#    290:25  Preassigned    2.36, 2.70 A)
 &rst
  ixpk= 290, nxpk= 25, iat= 613,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 615, 616,
 &end
#
#   25 ASN  HN           25 ASN  HB-         3.50    (#    291:25  Unique         2.10, 2.90 A)
 &rst
  ixpk= 291, nxpk= 25, iat= 388,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 392, 393,
 &end
#
#   25 ASN  HA           25 ASN  HB-         3.50    (#    292:25  Preassigned    2.25, 2.49 A)
 &rst
  ixpk= 292, nxpk= 25, iat= 390,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 392, 393,
 &end
#
#   60 ASN  HN           60 ASN  HB-         4.50    (#    293:25  Preassigned    3.21, 3.65 A)
 &rst
  ixpk= 293, nxpk= 25, iat= 949,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 953, 954,
 &end
#
#   60 ASN  HA           60 ASN  HB-         3.50    (#    294:25  Preassigned    2.24, 2.81 A)
 &rst
  ixpk= 294, nxpk= 25, iat= 951,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 953, 954,
 &end
#
#    0 AMB  25-3:295      0 AMB  25-1:295    2.80    (#    295:25  Double Ambig)
 &rst
  ixpk= 295, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 478, 479, 480, 482, 483, 278, 279, 280, 282, 283,
       284,
 igr2= 476, 276,
 &end
#
#   30 ILE  HG1+         30 ILE  HB          2.80    (#    296:25  Preassigned    2.29, 2.48 A)
 &rst
  ixpk= 296, nxpk= 25, iat=  -1, 476, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 482, 483,
 &end
#
#   54 ARG  HB-          51 GLU  HG+         3.50    (#    297:25  Preassigned    2.06, 3.66 A)
 &rst
  ixpk= 297, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 852, 853,
 igr2= 821, 822,
 &end
#
#   51 GLU  HB+          51 GLU  HG+         3.50    (#    298:25  Preassigned    2.21, 2.71 A)
 &rst
  ixpk= 298, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 818, 819,
 igr2= 821, 822,
 &end
#
#   51 GLU  HB+          51 GLU  HG-         2.80    (#    299:25  Preassigned    2.21, 2.71 A)
 &rst
  ixpk= 299, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 818, 819,
 igr2= 821, 822,
 &end
#
#   51 GLU  HA           51 GLU  HG+         3.50    (#    301:25  Preassigned    3.49, 3.71 A)
 &rst
  ixpk= 301, nxpk= 25, iat= 816,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 821, 822,
 &end
#
#   51 GLU  HA           51 GLU  HG-         3.50    (#    302:25  Preassigned    3.49, 3.71 A)
 &rst
  ixpk= 302, nxpk= 25, iat= 816,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 821, 822,
 &end
#
#   17 VAL  HA           17 VAL  HB          3.50    (#    303:25  Preassigned    2.67, 2.70 A)
 &rst
  ixpk= 303, nxpk= 25, iat= 274, 276, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   18 GLU  HN           17 VAL  HB          3.50    (#    304:25  Preassigned    1.73, 1.75 A)
 &rst
  ixpk= 304, nxpk= 25, iat= 288, 276, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   17 VAL  QG+          17 VAL  HB          3.50    (#    305:25  Preassigned    2.36, 2.63 A)
 &rst
  ixpk= 305, nxpk= 25, iat=  -1, 276, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 278, 279, 280, 282, 283, 284,
 &end
#
#   18 GLU  HB-          18 GLU  HG-         3.50    (#    306:25  Preassigned    2.29, 2.66 A)
 &rst
  ixpk= 306, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 292, 293,
 igr2= 295, 296,
 &end
#
#   40 GLN  HB-           0 AMB  25-1:307    3.50    (#    307:25  Single Ambig)
 &rst
  ixpk= 307, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 627, 628,
 igr2= 630, 631, 630, 631,
 &end
#
#   37 PRO  HB-           0 AMB  25-1:308    4.50    (#    308:25  Single Ambig)
 &rst
  ixpk= 308, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 590, 591,
 igr2= 630, 631, 630, 631,
 &end
#
#   40 GLN  HA            0 AMB  25-1:309    3.50    (#    309:25  Single Ambig)
 &rst
  ixpk= 309, nxpk= 25, iat= 625,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 630, 631, 630, 631,
 &end
#
#    0 AMB  25-3:311      0 AMB  25-1:311    3.50    (#    311:25  Double Ambig)
 &rst
  ixpk= 311, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 635, 636, 635, 636,
 igr2= 630, 631, 630, 631,
 &end
#
#    0 AMB  25-3:312      0 AMB  25-1:312    3.50    (#    312:25  Double Ambig)
 &rst
  ixpk= 312, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 986, 987, 986, 987,
 igr2= 989, 990, 989, 990,
 &end
#
#   37 PRO  HA           37 PRO  HB+         3.50    (#    313:25  Preassigned    2.30, 2.51 A)
 &rst
  ixpk= 313, nxpk= 25, iat= 593,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 590, 591,
 &end
#
#   19 PRO  HA           19 PRO  HB+         3.50    (#    314:25  Preassigned    2.30, 2.51 A)
 &rst
  ixpk= 314, nxpk= 25, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 310, 311,
 &end
#
#    0 AMB  25-3:315      0 AMB  25-1:315    3.50    (#    315:25  Double Ambig)
 &rst
  ixpk= 315, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 909, 910, 598, 599, 598, 599,
 igr2= 310, 311, 590, 591, 590, 591,
 &end
#
#   19 PRO  HG+          19 PRO  HB+         3.50    (#    316:25  Preassigned    2.32, 2.58 A)
 &rst
  ixpk= 316, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 307, 308,
 igr2= 310, 311,
 &end
#
#    0 AMB  25-3:317      0 AMB  25-1:317    2.80    (#    317:25  Double Ambig)
 &rst
  ixpk= 317, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 307, 308, 587, 588,
 igr2= 310, 311, 590, 591,
 &end
#
#   17 VAL  QG+           1 MET  HG+         3.50    (#    318:25  Preassigned    3.53, 6.10 A)
 &rst
  ixpk= 318, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 278, 279, 280, 282, 283, 284,
 igr2=  11,  12,
 &end
#
#    1 MET  QE            1 MET  HG+         3.50    (#    319:25  Preassigned    2.22, 3.26 A)
 &rst
  ixpk= 319, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  15,  16,  17,
 igr2=  11,  12,
 &end
#
#    0 AMB  25-3:320      0 AMB  25-1:320    3.50    (#    320:25  Double Ambig)
 &rst
  ixpk= 320, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=   8,   9,   8,   9,
 igr2=  11,  12,  11,  12,
 &end
#
#   26 VAL  QG-          26 VAL  HB          3.50    (#    321:25  Preassigned    2.23, 2.63 A)
 &rst
  ixpk= 321, nxpk= 25, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 408, 409, 410, 412, 413, 414,
 &end
#
#   26 VAL  QG+          26 VAL  HB          3.50    (#    322:25  Preassigned    2.23, 2.63 A)
 &rst
  ixpk= 322, nxpk= 25, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 408, 409, 410, 412, 413, 414,
 &end
#
#   26 VAL  HN           26 VAL  HB          3.50    (#    323:25  Preassigned    2.51, 2.52 A)
 &rst
  ixpk= 323, nxpk= 25, iat= 402, 406, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:324      0 AMB  25-1:324    3.50    (#    324:25  Double Ambig)
 &rst
  ixpk= 324, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1028,1029,1028,1029,
 igr2=1025,1026,1025,1026,
 &end
#
#    0 AMB  25-3:325     64 GLU  HB-         3.50    (#    325:25  Single Ambig)
 &rst
  ixpk= 325, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1028,1029,1028,1029,
 igr2=1025,1026,
 &end
#
#    0 AMB  25-3:326      0 AMB  25-1:326    3.50    (#    326:25  Double Ambig)
 &rst
  ixpk= 326, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=  83,  84,  85,  87,  88,  89,1070,1071,1072,1074,
      1075,1076,1070,1071,1072,1074,1075,1076,
 igr2=1065,1066,1065,1066,1065,1066,
 &end
#
#   69 LEU  QD-           0 AMB  25-1:327    4.50    (#    327:25  Single Ambig)
 &rst
  ixpk= 327, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1106,1107,1108,1110,1111,1112,
 igr2= 133, 134, 133, 134,
 &end
#
#    0 AMB  25-3:328      0 AMB  25-1:328    3.50    (#    328:25  Double Ambig)
 &rst
  ixpk= 328, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 138, 139, 140, 142, 143, 144, 138, 139, 140, 142,
       143, 144,
 igr2= 133, 134, 133, 134,
 &end
#
#    8 LEU  QD-           0 AMB  25-1:329    3.50    (#    329:25  Single Ambig)
 &rst
  ixpk= 329, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 138, 139, 140, 142, 143, 144,
 igr2= 133, 134, 133, 134,
 &end
#
#    8 LEU  HG            0 AMB  25-1:330    2.80    (#    330:25  Single Ambig)
 &rst
  ixpk= 330, nxpk= 25, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 133, 134, 133, 134,
 &end
#
#    8 LEU  HA            0 AMB  25-1:331    3.50    (#    331:25  Single Ambig)
 &rst
  ixpk= 331, nxpk= 25, iat= 131,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 133, 134, 133, 134,
 &end
#
#    8 LEU  HN            0 AMB  25-1:332    3.50    (#    332:25  Single Ambig)
 &rst
  ixpk= 332, nxpk= 25, iat= 129,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 133, 134, 133, 134,
 &end
#
#    0 AMB  25-3:333      0 AMB  25-1:333    3.50    (#    333:25  Double Ambig)
 &rst
  ixpk= 333, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1141,1142,1143,1145,1146,1147,  48,  49,
 igr2=1136,1137,  42,
 &end
#
#    0 AMB  25-3:336      0 AMB  25-1:336    3.50    (#    336:25  Double Ambig)
 &rst
  ixpk= 336, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1175,  57,
 igr2=1136,1137,  42,
 &end
#
#    0 AMB  25-3:337      3 ILE  HB          2.80    (#    337:25  Single Ambig)
 &rst
  ixpk= 337, nxpk= 25, iat=  -1,  42, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=  44,  45,  46,  51,  52,  53,
 &end
#
#   44 ILE  QG2          44 ILE  HB          2.80    (#    338:25  Preassigned    2.28, 2.63 A)
 &rst
  ixpk= 338, nxpk= 25, iat=  -1, 704, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 706, 707, 708,
 &end
#
#   44 ILE  HN           44 ILE  HB          3.50    (#    339:25  Preassigned    2.36, 2.58 A)
 &rst
  ixpk= 339, nxpk= 25, iat= 700, 704, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   13 ILE  QD1          13 ILE  HB          3.50    (#    340:25  Preassigned    3.36, 3.74 A)
 &rst
  ixpk= 340, nxpk= 25, iat=  -1, 209, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 218, 219, 220,
 &end
#
#   13 ILE  QG2          13 ILE  HB          3.50    (#    341:25  Preassigned    2.40, 2.63 A)
 &rst
  ixpk= 341, nxpk= 25, iat=  -1, 209, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 211, 212, 213,
 &end
#
#    5 VAL  HB           13 ILE  HB          5.50    (#    342:25  Preassigned    4.77, 4.82 A)
 &rst
  ixpk= 342, nxpk= 25, iat=  81, 209, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 ILE  HN           13 ILE  HB          3.50    (#    343:25  Preassigned    3.18, 3.21 A)
 &rst
  ixpk= 343, nxpk= 25, iat= 205, 209, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   58 ASP  HN           58 ASP  HB-         3.50    (#    344:25  Preassigned    2.13, 2.57 A)
 &rst
  ixpk= 344, nxpk= 25, iat= 916,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 920, 921,
 &end
#
#   58 ASP  HA           58 ASP  HB-         3.50    (#    345:25  Preassigned    2.53, 2.82 A)
 &rst
  ixpk= 345, nxpk= 25, iat= 918,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 920, 921,
 &end
#
#    0 AMB  25-3:346      0 AMB  25-1:346    3.50    (#    346:25  Double Ambig)
 &rst
  ixpk= 346, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1006,1007,1006,1007,1006,1007,
 igr2=1028,1029,1028,1029,1028,1029,
 &end
#
#   63 LYS  HB-           0 AMB  25-1:347    7.00    (#    347:25  Single Ambig)
 &rst
  ixpk= 347, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
 igr1=1003,1004,
 igr2=1028,1029,1028,1029,
 &end
#
#   64 GLU  HB-           0 AMB  25-1:348    2.80    (#    348:25  Single Ambig)
 &rst
  ixpk= 348, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=1025,1026,
 igr2=1028,1029,1028,1029,
 &end
#
#    0 AMB  25-3:349      0 AMB  25-1:349    2.80    (#    349:25  Double Ambig)
 &rst
  ixpk= 349, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1025,1026,1025,1026,
 igr2=1028,1029,1028,1029,
 &end
#
#   64 GLU  HA            0 AMB  25-1:350    3.50    (#    350:25  Single Ambig)
 &rst
  ixpk= 350, nxpk= 25, iat=1023,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2=1028,1029,1028,1029,
 &end
#
#    4 PHE  HZ            0 AMB  25-1:351    3.50    (#    351:25  Single Ambig)
 &rst
  ixpk= 351, nxpk= 25, iat=  69,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2=1028,1029,1028,1029,
 &end
#
#   64 GLU  HN            0 AMB  25-1:352    3.50    (#    352:25  Single Ambig)
 &rst
  ixpk= 352, nxpk= 25, iat=1021,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2=1028,1029,1028,1029,
 &end
#
#   13 ILE  QD1          34 GLU  HG-         3.50    (#    353:25  Preassigned    2.94, 4.70 A)
 &rst
  ixpk= 353, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 218, 219, 220,
 igr2= 549, 550,
 &end
#
#   34 GLU  HB-          34 GLU  HG-         3.50    (#    354:25  Preassigned    2.21, 2.54 A)
 &rst
  ixpk= 354, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 546, 547,
 igr2= 549, 550,
 &end
#
#   34 GLU  HB+          34 GLU  HG-         3.50    (#    355:25  Preassigned    2.21, 2.54 A)
 &rst
  ixpk= 355, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 546, 547,
 igr2= 549, 550,
 &end
#
#   13 ILE  QD1          34 GLU  HG+         3.50    (#    356:25  Preassigned    2.94, 4.70 A)
 &rst
  ixpk= 356, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 218, 219, 220,
 igr2= 549, 550,
 &end
#
#   34 GLU  HB-          34 GLU  HG+         3.50    (#    357:25  Preassigned    2.21, 2.54 A)
 &rst
  ixpk= 357, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 546, 547,
 igr2= 549, 550,
 &end
#
#   33 LYS  HB-          34 GLU  HG+         4.50    (#    358:25  Unique         3.03, 4.48 A)
 &rst
  ixpk= 358, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 524, 525,
 igr2= 549, 550,
 &end
#
#    0 AMB  25-3:359      0 AMB  25-1:359    3.50    (#    359:25  Double Ambig)
 &rst
  ixpk= 359, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 377, 378, 377, 378, 377, 378,
 igr2= 380, 381, 380, 381, 380, 381,
 &end
#
#    0 AMB  25-3:360     16 GLU  HG-         2.80    (#    360:25  Single Ambig)
 &rst
  ixpk= 360, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=  25,  26, 261, 262,
 igr2= 264, 265,
 &end
#
#   16 GLU  HB-          16 GLU  HG+         2.80    (#    361:25  Preassigned    2.31, 2.72 A)
 &rst
  ixpk= 361, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 261, 262,
 igr2= 264, 265,
 &end
#
#   16 GLU  HB+          16 GLU  HG+         2.80    (#    362:25  Preassigned    2.31, 2.72 A)
 &rst
  ixpk= 362, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 261, 262,
 igr2= 264, 265,
 &end
#
#   44 ILE  QD1           0 AMB  25-1:363    3.50    (#    363:25  Single Ambig)
 &rst
  ixpk= 363, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 713, 714, 715,
 igr2= 785, 786, 785, 786,
 &end
#
#    0 AMB  25-3:364      0 AMB  25-1:364    3.50    (#    364:25  Double Ambig)
 &rst
  ixpk= 364, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=  25,  26, 292, 293,
 igr2= 264, 265, 295, 296,
 &end
#
#    0 AMB  25-3:365      0 AMB  25-1:365    2.80    (#    365:25  Double Ambig)
 &rst
  ixpk= 365, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 782, 783, 782, 783,
 igr2= 785, 786, 785, 786,
 &end
#
#   49 GLN  HA            0 AMB  25-1:366    3.50    (#    366:25  Single Ambig)
 &rst
  ixpk= 366, nxpk= 25, iat= 780,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 785, 786, 785, 786,
 &end
#
#   49 GLN  HE2-          0 AMB  25-1:367    4.50    (#    367:25  Single Ambig)
 &rst
  ixpk= 367, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 790, 791,
 igr2= 785, 786, 785, 786,
 &end
#
#    0 AMB  25-3:368      0 AMB  25-1:368    3.50    (#    368:25  Double Ambig)
 &rst
  ixpk= 368, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 288, 795,
 igr2= 295, 296, 785, 786, 785, 786,
 &end
#
#   49 GLN  HN            0 AMB  25-1:369    3.50    (#    369:25  Single Ambig)
 &rst
  ixpk= 369, nxpk= 25, iat= 778,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 785, 786, 785, 786,
 &end
#
#   49 GLN  HN            0 AMB  25-1:370    3.50    (#    370:25  Single Ambig)
 &rst
  ixpk= 370, nxpk= 25, iat= 778,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 760, 761, 760, 761,
 &end
#
#   48 LYS  HN            0 AMB  25-1:371    3.50    (#    371:25  Single Ambig)
 &rst
  ixpk= 371, nxpk= 25, iat= 756,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 760, 761, 760, 761,
 &end
#
#   48 LYS  HA            0 AMB  25-1:372    3.50    (#    372:25  Single Ambig)
 &rst
  ixpk= 372, nxpk= 25, iat= 758,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 760, 761, 760, 761,
 &end
#
#    0 AMB  25-3:373      0 AMB  25-1:373    2.80    (#    373:25  Double Ambig)
 &rst
  ixpk= 373, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 664, 665, 664, 665, 763, 764, 763, 764, 763, 764,
      
 igr2=1120, 760, 761, 760, 761, 760, 761,
 &end
#
#    0 AMB  25-3:374      0 AMB  25-1:374    3.50    (#    374:25  Double Ambig)
 &rst
  ixpk= 374, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 661, 662,  25,  26,
 igr2=1120,  28,  29,
 &end
#
#   70 VAL  QG+          70 VAL  HB          3.50    (#    375:25  Preassigned    2.22, 2.63 A)
 &rst
  ixpk= 375, nxpk= 25, iat=  -1,1120, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1122,1123,1124,1126,1127,1128,
 &end
#
#   70 VAL  QG-          70 VAL  HB          3.50    (#    376:25  Preassigned    2.22, 2.63 A)
 &rst
  ixpk= 376, nxpk= 25, iat=  -1,1120, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1122,1123,1124,1126,1127,1128,
 &end
#
#    0 AMB  25-3:377      0 AMB  25-1:377    3.50    (#    377:25  Double Ambig)
 &rst
  ixpk= 377, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 428, 429, 527, 528, 527, 528, 425, 426,
 igr2= 422, 423, 524, 525, 524, 525,
 &end
#
#    0 AMB  25-3:378      0 AMB  25-1:378    3.50    (#    378:25  Double Ambig)
 &rst
  ixpk= 378, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 530, 531, 530, 531,
 igr2= 524, 525, 524, 525,
 &end
#
#   33 LYS  HA           33 LYS  HB+         3.50    (#    379:25  Preassigned    2.40, 2.72 A)
 &rst
  ixpk= 379, nxpk= 25, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 524, 525,
 &end
#
#   33 LYS  HN           33 LYS  HB+         3.50    (#    380:25  Preassigned    2.59, 3.17 A)
 &rst
  ixpk= 380, nxpk= 25, iat= 520,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 524, 525,
 &end
#
#    0 AMB  25-3:381      5 VAL  HB          2.80    (#    381:25  Single Ambig)
 &rst
  ixpk= 381, nxpk= 25, iat=  -1,  81, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1=  83,  84,  85,  87,  88,  89,  83,  84,  85,  87,
        88,  89, 218, 219, 220,
 &end
#
#    2 GLN  HB+           2 GLN  HG+         4.50    (#    382:25  Preassigned    2.33, 2.60 A)
 &rst
  ixpk= 382, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  25,  26,
 igr2=  28,  29,
 &end
#
#   33 LYS  HN           33 LYS  HB-         3.50    (#    383:25  Preassigned    2.59, 3.17 A)
 &rst
  ixpk= 383, nxpk= 25, iat= 520,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 524, 525,
 &end
#
#   33 LYS  HA           33 LYS  HB-         3.50    (#    384:25  Preassigned    2.40, 2.72 A)
 &rst
  ixpk= 384, nxpk= 25, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 524, 525,
 &end
#
#    0 AMB  25-3:385     33 LYS  HB-         3.50    (#    385:25  Single Ambig)
 &rst
  ixpk= 385, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 530, 531, 530, 531,
 igr2= 524, 525,
 &end
#
#    0 AMB  25-3:386     33 LYS  HB-         2.80    (#    386:25  Single Ambig)
 &rst
  ixpk= 386, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 527, 528, 527, 528,
 igr2= 524, 525,
 &end
#
#   31 GLN  HB+          31 GLN  HG-         3.50    (#    387:25  Preassigned    2.21, 2.68 A)
 &rst
  ixpk= 387, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 495, 496,
 igr2= 498, 499,
 &end
#
#   37 PRO  HB-          31 GLN  HG-         3.50    (#    388:25  Preassigned    3.31, 4.69 A)
 &rst
  ixpk= 388, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 590, 591,
 igr2= 498, 499,
 &end
#
#    0 AMB  25-3:389     11 LYS  HB-         3.50    (#    389:25  Single Ambig)
 &rst
  ixpk= 389, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 176, 177, 154, 155, 156,
 igr2= 173, 174,
 &end
#
#    0 AMB  25-3:390     11 LYS  HB-         3.50    (#    390:25  Single Ambig)
 &rst
  ixpk= 390, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 179, 180, 179, 180,
 igr2= 173, 174,
 &end
#
#   11 LYS  HN           11 LYS  HB-         3.50    (#    391:25  Preassigned    2.22, 2.92 A)
 &rst
  ixpk= 391, nxpk= 25, iat= 169,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 173, 174,
 &end
#
#    0 AMB  25-3:392      0 AMB  25-1:392    3.50    (#    392:25  Double Ambig)
 &rst
  ixpk= 392, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 601, 602, 425, 426, 428, 429,
 igr2= 604, 605, 604, 605, 604, 605,
 &end
#
#   38 PRO  HA           38 PRO  HB+         3.50    (#    393:25  Preassigned    2.30, 2.51 A)
 &rst
  ixpk= 393, nxpk= 25, iat= 607,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 604, 605,
 &end
#
#   51 GLU  HN           54 ARG  HB-         3.50    (#    394:25  Preassigned    2.48, 3.33 A)
 &rst
  ixpk= 394, nxpk= 25, iat= 814,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 852, 853,
 &end
#
#   53 GLY  HA+          54 ARG  HB-         4.50    (#    395:25  Preassigned    5.18, 5.91 A)
 &rst
  ixpk= 395, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 843, 844,
 igr2= 852, 853,
 &end
#
#   27 LYS  HD+          38 PRO  HB-         3.50    (#    397:25  Preassigned    3.61, 4.04 A)
 &rst
  ixpk= 397, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 428, 429,
 igr2= 604, 605,
 &end
#
#    0 AMB  25-3:398      0 AMB  25-1:398    3.50    (#    398:25  Double Ambig)
 &rst
  ixpk= 398, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1009,1010, 855, 856, 601, 602,
 igr2=1003,1004, 852, 853, 604, 605,
 &end
#
#   50 LEU  HB+          54 ARG  HB-         3.50    (#    399:25  Preassigned    3.68, 5.02 A)
 &rst
  ixpk= 399, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 799, 800,
 igr2= 852, 853,
 &end
#
#    0 AMB  25-3:400      0 AMB  25-1:400    3.50    (#    400:25  Double Ambig)
 &rst
  ixpk= 400, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1006,1007,1006,1007,
 igr2=1003,1004,1003,1004,
 &end
#
#   63 LYS  HD+          63 LYS  HB+         3.50    (#    401:25  Preassigned    1.96, 3.20 A)
 &rst
  ixpk= 401, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1009,1010,
 igr2=1003,1004,
 &end
#
#   63 LYS  HA           63 LYS  HB+         3.50    (#    403:25  Preassigned    2.27, 2.60 A)
 &rst
  ixpk= 403, nxpk= 25, iat=1001,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1003,1004,
 &end
#
#   63 LYS  HN           63 LYS  HB+         3.50    (#    404:25  Preassigned    2.98, 3.81 A)
 &rst
  ixpk= 404, nxpk= 25, iat= 999,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1003,1004,
 &end
#
#    0 AMB  25-3:405      0 AMB  25-1:405    3.50    (#    405:25  Double Ambig)
 &rst
  ixpk= 405, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 611, 354,
 igr2= 604, 605, 852, 853,
 &end
#
#    1 MET  HA            1 MET  HB+         3.50    (#    406:25  Unique         2.26, 2.48 A)
 &rst
  ixpk= 406, nxpk= 25, iat=   6,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=   8,   9,
 &end
#
#   70 VAL  QG-           0 AMB  25-1:407    3.50    (#    407:25  Single Ambig)
 &rst
  ixpk= 407, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1122,1123,1124,1126,1127,1128,
 igr2= 133, 134, 133, 134,
 &end
#
#   68 HIS  HB+          44 ILE  HB          3.50    (#    409:25  Preassigned    1.85, 2.28 A)
 &rst
  ixpk= 409, nxpk= 25, iat=  -1, 704, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1084,1085,
 &end
#
#   13 ILE  HG1-         13 ILE  HB          4.50    (#    410:25  Preassigned    2.24, 2.52 A)
 &rst
  ixpk= 410, nxpk= 25, iat=  -1, 209, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 215, 216,
 &end
#
#   56 LEU  QD+          56 LEU  HB+         4.50    (#    411:25  Preassigned    2.23, 3.32 A)
 &rst
  ixpk= 411, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 895, 896, 897, 899, 900, 901,
 igr2= 890, 891,
 &end
#
#   56 LEU  QD-          56 LEU  HB+         4.50    (#    412:25  Preassigned    2.23, 3.32 A)
 &rst
  ixpk= 412, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 895, 896, 897, 899, 900, 901,
 igr2= 890, 891,
 &end
#
#    0 AMB  25-3:413      0 AMB  25-1:413    3.50    (#    413:25  Double Ambig)
 &rst
  ixpk= 413, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 313, 888,
 igr2= 890, 891, 890, 891,
 &end
#
#    0 AMB  25-3:414      0 AMB  25-1:414    3.50    (#    414:25  Double Ambig)
 &rst
  ixpk= 414, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1003,1004,1003,1004,  28,  29,
 igr2=1028,1029,1028,1029,
 &end
#
#    0 AMB  25-3:415      0 AMB  25-1:415    4.50    (#    415:25  Double Ambig)
 &rst
  ixpk= 415, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1009,1010,1009,1010,
 igr2=1028,1029,1028,1029,
 &end
#
#   16 GLU  HA           16 GLU  HG-         4.50    (#    416:25  Preassigned    2.19, 2.55 A)
 &rst
  ixpk= 416, nxpk= 25, iat= 259,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 264, 265,
 &end
#
#   16 GLU  HA           16 GLU  HG+         4.50    (#    417:25  Preassigned    2.19, 2.55 A)
 &rst
  ixpk= 417, nxpk= 25, iat= 259,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 264, 265,
 &end
#
#   18 GLU  HA           18 GLU  HG+         4.50    (#    418:25  Preassigned    2.47, 3.64 A)
 &rst
  ixpk= 418, nxpk= 25, iat= 290,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 295, 296,
 &end
#
#   14 THR  QG2           2 GLN  HG+         4.50    (#    419:25  Preassigned    2.12, 2.59 A)
 &rst
  ixpk= 419, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 230, 231, 232,
 igr2=  28,  29,
 &end
#
#    2 GLN  HA            2 GLN  HG+         4.50    (#    420:25  Preassigned    3.52, 3.86 A)
 &rst
  ixpk= 420, nxpk= 25, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  28,  29,
 &end
#
#    2 GLN  HN            2 GLN  HG+         4.50    (#    421:25  Preassigned    3.53, 3.93 A)
 &rst
  ixpk= 421, nxpk= 25, iat=  21,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  28,  29,
 &end
#
#   50 LEU  QD-           0 AMB  25-1:422    4.50    (#    422:25  Single Ambig)
 &rst
  ixpk= 422, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 804, 805, 806, 808, 809, 810,
 igr2= 760, 761, 760, 761,
 &end
#
#   34 GLU  HN           33 LYS  HB+         4.50    (#    423:25  Unique         3.04, 3.63 A)
 &rst
  ixpk= 423, nxpk= 25, iat= 542,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 524, 525,
 &end
#
#   13 ILE  QD1          33 LYS  HB+         4.50    (#    424:25  Unique         2.23, 3.21 A)
 &rst
  ixpk= 424, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 218, 219, 220,
 igr2= 524, 525,
 &end
#
#    0 AMB  25-3:425      0 AMB  25-1:425    2.80    (#    425:25  Double Ambig)
 &rst
  ixpk= 425, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr1= 976, 977, 978, 969, 970, 971,
 igr2= 895, 896, 897, 899, 900, 901, 895, 896, 897, 899,
       900, 901,
 &end
#
#   26 VAL  QG+          56 LEU  QD+         3.50    (#    426:25  Preassigned    1.98, 4.58 A)
 &rst
  ixpk= 426, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 408, 409, 410, 412, 413, 414,
 igr2= 895, 896, 897, 899, 900, 901,
 &end
#
#   56 LEU  HB-          56 LEU  QD+         3.50    (#    427:25  Preassigned    2.23, 3.32 A)
 &rst
  ixpk= 427, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 890, 891,
 igr2= 895, 896, 897, 899, 900, 901,
 &end
#
#   61 ILE  HB           56 LEU  QD+         3.50    (#    428:25  Preassigned    3.23, 4.54 A)
 &rst
  ixpk= 428, nxpk= 25, iat= 967,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 895, 896, 897, 899, 900, 901,
 &end
#
#   56 LEU  HG           56 LEU  QD+         3.50    (#    429:25  Preassigned    2.21, 2.63 A)
 &rst
  ixpk= 429, nxpk= 25, iat= 893,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 895, 896, 897, 899, 900, 901,
 &end
#
#   56 LEU  HB+          56 LEU  QD+         3.50    (#    430:25  Preassigned    2.23, 3.32 A)
 &rst
  ixpk= 430, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 890, 891,
 igr2= 895, 896, 897, 899, 900, 901,
 &end
#
#    0 AMB  25-3:431      0 AMB  25-1:431    4.50    (#    431:25  Double Ambig)
 &rst
  ixpk= 431, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 276, 406,
 igr2= 895, 896, 897, 899, 900, 901, 895, 896, 897, 899,
       900, 901,
 &end
#
#   21 ASP  HB+          56 LEU  QD+         4.50    (#    432:25  Preassigned    3.12, 5.36 A)
 &rst
  ixpk= 432, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 332, 333,
 igr2= 895, 896, 897, 899, 900, 901,
 &end
#
#    0 AMB  25-3:433      0 AMB  25-1:433    5.50    (#    433:25  Double Ambig)
 &rst
  ixpk= 433, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 404, 965,
 igr2= 895, 896, 897, 899, 900, 901, 895, 896, 897, 899,
       900, 901,
 &end
#
#   23 ILE  HA           56 LEU  QD+         4.50    (#    434:25  Preassigned    3.25, 5.45 A)
 &rst
  ixpk= 434, nxpk= 25, iat= 356,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 895, 896, 897, 899, 900, 901,
 &end
#
#   56 LEU  HA           56 LEU  QD+         3.50    (#    435:25  Preassigned    1.93, 3.64 A)
 &rst
  ixpk= 435, nxpk= 25, iat= 888,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 895, 896, 897, 899, 900, 901,
 &end
#
#   59 TYR  HN           56 LEU  QD+         5.50    (#    436:25  Preassigned    5.53, 7.12 A)
 &rst
  ixpk= 436, nxpk= 25, iat= 928,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 895, 896, 897, 899, 900, 901,
 &end
#
#   56 LEU  HN           56 LEU  QD+         3.50    (#    437:25  Preassigned    2.83, 4.14 A)
 &rst
  ixpk= 437, nxpk= 25, iat= 886,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 895, 896, 897, 899, 900, 901,
 &end
#
#   57 SER  HN           56 LEU  QD+         5.50    (#    438:25  Preassigned    4.73, 5.48 A)
 &rst
  ixpk= 438, nxpk= 25, iat= 905,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 895, 896, 897, 899, 900, 901,
 &end
#
#    5 VAL  HN            5 VAL  QG-         4.50    (#    439:25  Unique         2.19, 3.77 A)
 &rst
  ixpk= 439, nxpk= 25, iat=  77,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=  83,  84,  85,  87,  88,  89,
 &end
#
#    6 LYS  HN            5 VAL  QG-         3.50    (#    440:25  Preassigned    3.38, 4.86 A)
 &rst
  ixpk= 440, nxpk= 25, iat=  93,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=  83,  84,  85,  87,  88,  89,
 &end
#
#   69 LEU  HN            5 VAL  QG-         4.50    (#    441:25  Preassigned    3.09, 5.46 A)
 &rst
  ixpk= 441, nxpk= 25, iat=1097,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=  83,  84,  85,  87,  88,  89,
 &end
#
#    0 AMB  25-3:442      5 VAL  QG-         3.50    (#    442:25  Single Ambig)
 &rst
  ixpk= 442, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1082,1099,
 igr2=  83,  84,  85,  87,  88,  89,
 &end
#
#    5 VAL  HA            5 VAL  QG-         3.50    (#    443:25  Preassigned    2.28, 3.12 A)
 &rst
  ixpk= 443, nxpk= 25, iat=  79,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=  83,  84,  85,  87,  88,  89,
 &end
#
#   67 LEU  HG            5 VAL  QG-         3.50    (#    444:25  Preassigned    3.99, 5.26 A)
 &rst
  ixpk= 444, nxpk= 25, iat=1068,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=  83,  84,  85,  87,  88,  89,
 &end
#
#    5 VAL  HB            5 VAL  QG-         3.50    (#    445:25  Preassigned    2.22, 2.63 A)
 &rst
  ixpk= 445, nxpk= 25, iat=  81,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=  83,  84,  85,  87,  88,  89,
 &end
#
#   69 LEU  HB-           5 VAL  QG-         2.80    (#    446:25  Preassigned    2.34, 5.22 A)
 &rst
  ixpk= 446, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1101,1102,
 igr2=  83,  84,  85,  87,  88,  89,
 &end
#
#    0 AMB  25-3:447      5 VAL  QG-         3.50    (#    447:25  Single Ambig)
 &rst
  ixpk= 447, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 242, 243,1104,
 igr2=  83,  84,  85,  87,  88,  89,
 &end
#
#    0 AMB  25-3:448      5 VAL  QG-         3.50    (#    448:25  Single Ambig)
 &rst
  ixpk= 448, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 242, 243, 121, 122, 123,
 igr2=  83,  84,  85,  87,  88,  89,
 &end
#
#   69 LEU  HB+           5 VAL  QG-         3.50    (#    449:25  Unique         2.34, 5.22 A)
 &rst
  ixpk= 449, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1101,1102,
 igr2=  83,  84,  85,  87,  88,  89,
 &end
#
#   30 ILE  QD1           5 VAL  QG-         2.80    (#    450:25  Preassigned    2.10, 4.25 A)
 &rst
  ixpk= 450, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 485, 486, 487,
 igr2=  83,  84,  85,  87,  88,  89,
 &end
#
#    3 ILE  QD1           5 VAL  QG-         4.50    (#    451:25  Preassigned    2.32, 4.92 A)
 &rst
  ixpk= 451, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=  51,  52,  53,
 igr2=  83,  84,  85,  87,  88,  89,
 &end
#
#   69 LEU  HB+          70 VAL  QG-         4.50    (#    453:25  Preassigned    5.01, 7.16 A)
 &rst
  ixpk= 453, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1101,1102,
 igr2=1122,1123,1124,1126,1127,1128,
 &end
#
#    8 LEU  QD-          70 VAL  QG-         3.50    (#    454:25  Preassigned    1.90, 5.39 A)
 &rst
  ixpk= 454, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 138, 139, 140, 142, 143, 144,
 igr2=1122,1123,1124,1126,1127,1128,
 &end
#
#   44 ILE  QD1          70 VAL  QG-         2.80    (#    455:25  Unique         1.77, 4.02 A)
 &rst
  ixpk= 455, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 713, 714, 715,
 igr2=1122,1123,1124,1126,1127,1128,
 &end
#
#   42 ARG  HB-          70 VAL  QG-         3.50    (#    456:25  Unique         1.81, 4.60 A)
 &rst
  ixpk= 456, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 661, 662,
 igr2=1122,1123,1124,1126,1127,1128,
 &end
#
#   44 ILE  HB           70 VAL  QG-         4.50    (#    457:25  Unique         2.05, 4.38 A)
 &rst
  ixpk= 457, nxpk= 25, iat= 704,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1122,1123,1124,1126,1127,1128,
 &end
#
#   70 VAL  HB           70 VAL  QG-         2.80    (#    458:25  Preassigned    2.22, 2.63 A)
 &rst
  ixpk= 458, nxpk= 25, iat=1120,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1122,1123,1124,1126,1127,1128,
 &end
#
#    8 LEU  HG           70 VAL  QG-         4.50    (#    459:25  Preassigned    1.94, 4.36 A)
 &rst
  ixpk= 459, nxpk= 25, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1122,1123,1124,1126,1127,1128,
 &end
#
#   42 ARG  HD+          70 VAL  QG-         4.50    (#    460:25  Preassigned    2.16, 6.17 A)
 &rst
  ixpk= 460, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 667, 668,
 igr2=1122,1123,1124,1126,1127,1128,
 &end
#
#   70 VAL  HA           70 VAL  QG-         3.50    (#    462:25  Preassigned    2.06, 3.18 A)
 &rst
  ixpk= 462, nxpk= 25, iat=1118,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1122,1123,1124,1126,1127,1128,
 &end
#
#   68 HIS  HA           70 VAL  QG-         5.50    (#    463:25  Preassigned    4.98, 7.14 A)
 &rst
  ixpk= 463, nxpk= 25, iat=1082,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1122,1123,1124,1126,1127,1128,
 &end
#
#   71 LEU  HN           70 VAL  QG-         3.50    (#    464:25  Preassigned    1.79, 3.61 A)
 &rst
  ixpk= 464, nxpk= 25, iat=1132,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1122,1123,1124,1126,1127,1128,
 &end
#
#   70 VAL  HN           70 VAL  QG-         4.50    (#    465:25  Preassigned    2.28, 4.13 A)
 &rst
  ixpk= 465, nxpk= 25, iat=1116,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1122,1123,1124,1126,1127,1128,
 &end
#
#   27 LYS  HN           26 VAL  QG-         4.50    (#    466:25  Preassigned    3.35, 4.44 A)
 &rst
  ixpk= 466, nxpk= 25, iat= 418,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 408, 409, 410, 412, 413, 414,
 &end
#
#   26 VAL  HN           26 VAL  QG-         3.50    (#    467:25  Preassigned    2.18, 3.78 A)
 &rst
  ixpk= 467, nxpk= 25, iat= 402,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 408, 409, 410, 412, 413, 414,
 &end
#
#   23 ILE  HA           26 VAL  QG-         4.50    (#    468:25  Preassigned    2.38, 4.04 A)
 &rst
  ixpk= 468, nxpk= 25, iat= 356,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 408, 409, 410, 412, 413, 414,
 &end
#
#   30 ILE  HA           26 VAL  QG-         5.50    (#    469:25  Preassigned    5.81, 7.81 A)
 &rst
  ixpk= 469, nxpk= 25, iat= 474,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 408, 409, 410, 412, 413, 414,
 &end
#
#   26 VAL  HB           26 VAL  QG-         2.80    (#    470:25  Preassigned    2.23, 2.63 A)
 &rst
  ixpk= 470, nxpk= 25, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 408, 409, 410, 412, 413, 414,
 &end
#
#   70 VAL  HN           70 VAL  QG+         3.50    (#    471:25  Preassigned    2.28, 4.13 A)
 &rst
  ixpk= 471, nxpk= 25, iat=1116,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1122,1123,1124,1126,1127,1128,
 &end
#
#   71 LEU  HN           70 VAL  QG+         4.50    (#    472:25  Preassigned    1.79, 3.61 A)
 &rst
  ixpk= 472, nxpk= 25, iat=1132,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1122,1123,1124,1126,1127,1128,
 &end
#
#   69 LEU  HA           70 VAL  QG+         4.50    (#    473:25  Unique         3.44, 5.57 A)
 &rst
  ixpk= 473, nxpk= 25, iat=1099,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1122,1123,1124,1126,1127,1128,
 &end
#
#   70 VAL  HA           70 VAL  QG+         3.50    (#    474:25  Preassigned    2.06, 3.18 A)
 &rst
  ixpk= 474, nxpk= 25, iat=1118,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1122,1123,1124,1126,1127,1128,
 &end
#
#    8 LEU  HG           70 VAL  QG+         4.50    (#    475:25  Preassigned    1.94, 4.36 A)
 &rst
  ixpk= 475, nxpk= 25, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1122,1123,1124,1126,1127,1128,
 &end
#
#   70 VAL  HB           70 VAL  QG+         2.80    (#    476:25  Preassigned    2.22, 2.63 A)
 &rst
  ixpk= 476, nxpk= 25, iat=1120,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1122,1123,1124,1126,1127,1128,
 &end
#
#   44 ILE  HB           70 VAL  QG+         4.50    (#    477:25  Preassigned    2.05, 4.38 A)
 &rst
  ixpk= 477, nxpk= 25, iat= 704,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1122,1123,1124,1126,1127,1128,
 &end
#
#   42 ARG  HB-          70 VAL  QG+         4.50    (#    478:25  Unique         1.81, 4.60 A)
 &rst
  ixpk= 478, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 661, 662,
 igr2=1122,1123,1124,1126,1127,1128,
 &end
#
#    8 LEU  QD-          70 VAL  QG+         3.50    (#    479:25  Preassigned    1.90, 5.39 A)
 &rst
  ixpk= 479, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 138, 139, 140, 142, 143, 144,
 igr2=1122,1123,1124,1126,1127,1128,
 &end
#
#    8 LEU  QD+          70 VAL  QG+         3.50    (#    480:25  Preassigned    1.90, 5.39 A)
 &rst
  ixpk= 480, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 138, 139, 140, 142, 143, 144,
 igr2=1122,1123,1124,1126,1127,1128,
 &end
#
#   44 ILE  QD1          70 VAL  QG+         2.80    (#    481:25  Unique         1.77, 4.02 A)
 &rst
  ixpk= 481, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 713, 714, 715,
 igr2=1122,1123,1124,1126,1127,1128,
 &end
#
#   17 VAL  HN           17 VAL  QG-         4.50    (#    482:25  Preassigned    2.41, 3.76 A)
 &rst
  ixpk= 482, nxpk= 25, iat= 272,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 278, 279, 280, 282, 283, 284,
 &end
#
#   18 GLU  HN           17 VAL  QG-         3.50    (#    483:25  Preassigned    2.90, 3.91 A)
 &rst
  ixpk= 483, nxpk= 25, iat= 288,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 278, 279, 280, 282, 283, 284,
 &end
#
#   16 GLU  HN           17 VAL  QG-         4.50    (#    484:25  Preassigned    4.33, 5.60 A)
 &rst
  ixpk= 484, nxpk= 25, iat= 257,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 278, 279, 280, 282, 283, 284,
 &end
#
#   16 GLU  HA           17 VAL  QG-         4.50    (#    485:25  Preassigned    3.55, 4.99 A)
 &rst
  ixpk= 485, nxpk= 25, iat= 259,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 278, 279, 280, 282, 283, 284,
 &end
#
#   17 VAL  HA           17 VAL  QG-         3.50    (#    486:25  Preassigned    2.37, 3.32 A)
 &rst
  ixpk= 486, nxpk= 25, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 278, 279, 280, 282, 283, 284,
 &end
#
#   26 VAL  HA           17 VAL  QG-         4.50    (#    487:25  Preassigned    3.08, 4.83 A)
 &rst
  ixpk= 487, nxpk= 25, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 278, 279, 280, 282, 283, 284,
 &end
#
#   29 LYS  HE+          17 VAL  QG-         3.50    (#    488:25  Preassigned    2.72, 5.08 A)
 &rst
  ixpk= 488, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 463, 464,
 igr2= 278, 279, 280, 282, 283, 284,
 &end
#
#   29 LYS  HE-          17 VAL  QG-         4.50    (#    489:25  Preassigned    2.72, 5.08 A)
 &rst
  ixpk= 489, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 463, 464,
 igr2= 278, 279, 280, 282, 283, 284,
 &end
#
#   17 VAL  HB           17 VAL  QG-         3.50    (#    490:25  Preassigned    2.36, 2.63 A)
 &rst
  ixpk= 490, nxpk= 25, iat= 276,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 278, 279, 280, 282, 283, 284,
 &end
#
#   18 GLU  HG+          17 VAL  QG-         5.50    (#    491:25  Preassigned    3.80, 6.24 A)
 &rst
  ixpk= 491, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 295, 296,
 igr2= 278, 279, 280, 282, 283, 284,
 &end
#
#   29 LYS  HD+          17 VAL  QG-         3.50    (#    492:25  Preassigned    2.53, 5.00 A)
 &rst
  ixpk= 492, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 460, 461,
 igr2= 278, 279, 280, 282, 283, 284,
 &end
#
#    1 MET  QE           17 VAL  QG-         4.50    (#    493:25  Preassigned    3.03, 6.30 A)
 &rst
  ixpk= 493, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=  15,  16,  17,
 igr2= 278, 279, 280, 282, 283, 284,
 &end
#
#   15 LEU  HG           17 VAL  QG-         3.50    (#    494:25  Preassigned    2.17, 3.77 A)
 &rst
  ixpk= 494, nxpk= 25, iat= 245,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 278, 279, 280, 282, 283, 284,
 &end
#
#   15 LEU  HB+          17 VAL  QG-         3.50    (#    495:25  Preassigned    4.08, 5.56 A)
 &rst
  ixpk= 495, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 242, 243,
 igr2= 278, 279, 280, 282, 283, 284,
 &end
#
#   26 VAL  QG+          17 VAL  QG-         2.80    (#    496:25  Preassigned    2.81, 5.38 A)
 &rst
  ixpk= 496, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 408, 409, 410, 412, 413, 414,
 igr2= 278, 279, 280, 282, 283, 284,
 &end
#
#    3 ILE  QD1          17 VAL  QG-         3.50    (#    497:25  Unique         2.05, 4.58 A)
 &rst
  ixpk= 497, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  51,  52,  53,
 igr2= 278, 279, 280, 282, 283, 284,
 &end
#
#    0 AMB  25-3:498     12 THR  QG2         4.50    (#    498:25  Single Ambig)
 &rst
  ixpk= 498, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=  83,  84,  85,  87,  88,  89,  83,  84,  85,  87,
        88,  89,
 igr2= 197, 198, 199,
 &end
#
#   13 ILE  QG2          12 THR  QG2         5.50    (#    499:25  Preassigned    4.91, 6.48 A)
 &rst
  ixpk= 499, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 211, 212, 213,
 igr2= 197, 198, 199,
 &end
#
#   66 THR  QG2          12 THR  QG2         4.50    (#    500:25  Preassigned    3.31, 5.28 A)
 &rst
  ixpk= 500, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1053,1054,1055,
 igr2= 197, 198, 199,
 &end
#
#    0 AMB  25-3:502     12 THR  QG2         3.50    (#    502:25  Single Ambig)
 &rst
  ixpk= 502, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 100, 101,  97,  98,
 igr2= 197, 198, 199,
 &end
#
#    6 LYS  HG+          12 THR  QG2         4.50    (#    503:25  Unique         2.55, 4.70 A)
 &rst
  ixpk= 503, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 100, 101,
 igr2= 197, 198, 199,
 &end
#
#    0 AMB  25-3:504     12 THR  QG2         4.50    (#    504:25  Single Ambig)
 &rst
  ixpk= 504, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=  97,  98, 103, 104, 103, 104,
 igr2= 197, 198, 199,
 &end
#
#   13 ILE  HB           12 THR  QG2         5.50    (#    505:25  Preassigned    5.71, 6.85 A)
 &rst
  ixpk= 505, nxpk= 25, iat= 209,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 197, 198, 199,
 &end
#
#    4 PHE  HB+          12 THR  QG2         3.50    (#    506:25  Preassigned    2.07, 2.99 A)
 &rst
  ixpk= 506, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  61,  62,
 igr2= 197, 198, 199,
 &end
#
#    4 PHE  HB-          12 THR  QG2         3.50    (#    507:25  Preassigned    2.07, 2.99 A)
 &rst
  ixpk= 507, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  61,  62,
 igr2= 197, 198, 199,
 &end
#
#   12 THR  HB           12 THR  QG2         2.80    (#    508:25  Preassigned    2.23, 2.64 A)
 &rst
  ixpk= 508, nxpk= 25, iat= 195,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 197, 198, 199,
 &end
#
#   13 ILE  HA           12 THR  QG2         4.50    (#    509:25  Preassigned    4.25, 5.35 A)
 &rst
  ixpk= 509, nxpk= 25, iat= 207,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 197, 198, 199,
 &end
#
#   12 THR  HA           12 THR  QG2         3.50    (#    510:25  Preassigned    2.22, 2.96 A)
 &rst
  ixpk= 510, nxpk= 25, iat= 193,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 197, 198, 199,
 &end
#
#    6 LYS  HA           12 THR  QG2         4.50    (#    511:25  Preassigned    3.39, 4.16 A)
 &rst
  ixpk= 511, nxpk= 25, iat=  95,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 197, 198, 199,
 &end
#
#    4 PHE  HA           12 THR  QG2         4.50    (#    512:25  Preassigned    3.19, 3.99 A)
 &rst
  ixpk= 512, nxpk= 25, iat=  59,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 197, 198, 199,
 &end
#
#    4 PHE  HD2          12 THR  QG2         4.50    (#    513:25  Preassigned    4.02, 4.69 A)
 &rst
  ixpk= 513, nxpk= 25, iat=  73,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 197, 198, 199,
 &end
#
#    0 AMB  25-3:514     12 THR  QG2         5.50    (#    514:25  Single Ambig)
 &rst
  ixpk= 514, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=  71,  67,  69,
 igr2= 197, 198, 199,
 &end
#
#    0 AMB  25-3:515     12 THR  QG2         4.50    (#    515:25  Single Ambig)
 &rst
  ixpk= 515, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 191, 238,
 igr2= 197, 198, 199,
 &end
#
#    0 AMB  25-3:516     12 THR  QG2         4.50    (#    516:25  Single Ambig)
 &rst
  ixpk= 516, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 224, 115,
 igr2= 197, 198, 199,
 &end
#
#    5 VAL  HN           12 THR  QG2         3.50    (#    517:25  Preassigned    3.71, 4.72 A)
 &rst
  ixpk= 517, nxpk= 25, iat=  77,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 197, 198, 199,
 &end
#
#   13 ILE  HN           12 THR  QG2         3.50    (#    518:25  Preassigned    2.94, 4.07 A)
 &rst
  ixpk= 518, nxpk= 25, iat= 205,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 197, 198, 199,
 &end
#
#    6 LYS  HB+          66 THR  QG2         3.50    (#    520:25  Preassigned    2.66, 3.76 A)
 &rst
  ixpk= 520, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  97,  98,
 igr2=1053,1054,1055,
 &end
#
#    6 LYS  HG+          66 THR  QG2         4.50    (#    521:25  Preassigned    4.36, 5.66 A)
 &rst
  ixpk= 521, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 100, 101,
 igr2=1053,1054,1055,
 &end
#
#    0 AMB  25-3:522     66 THR  QG2         3.50    (#    522:25  Single Ambig)
 &rst
  ixpk= 522, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  97,  98, 103, 104, 103, 104,
 igr2=1053,1054,1055,
 &end
#
#    4 PHE  HB+          66 THR  QG2         3.50    (#    523:25  Preassigned    2.76, 4.52 A)
 &rst
  ixpk= 523, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  61,  62,
 igr2=1053,1054,1055,
 &end
#
#    4 PHE  HB-          66 THR  QG2         3.50    (#    524:25  Preassigned    2.76, 4.52 A)
 &rst
  ixpk= 524, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  61,  62,
 igr2=1053,1054,1055,
 &end
#
#   66 THR  HB           66 THR  QG2         3.50    (#    525:25  Preassigned    2.39, 2.64 A)
 &rst
  ixpk= 525, nxpk= 25, iat=1051,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1053,1054,1055,
 &end
#
#    5 VAL  HA           66 THR  QG2         4.50    (#    526:25  Preassigned    4.46, 5.32 A)
 &rst
  ixpk= 526, nxpk= 25, iat=  79,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1053,1054,1055,
 &end
#
#   67 LEU  HA           66 THR  QG2         4.50    (#    527:25  Preassigned    4.01, 5.10 A)
 &rst
  ixpk= 527, nxpk= 25, iat=1063,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1053,1054,1055,
 &end
#
#   66 THR  HA           66 THR  QG2         3.50    (#    528:25  Preassigned    2.57, 3.13 A)
 &rst
  ixpk= 528, nxpk= 25, iat=1049,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1053,1054,1055,
 &end
#
#    4 PHE  HD1          66 THR  QG2         4.50    (#    529:25  Unique         3.85, 4.71 A)
 &rst
  ixpk= 529, nxpk= 25, iat=  65,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1053,1054,1055,
 &end
#
#   68 HIS  HE1          66 THR  QG2         7.00    (#    530:25  Preassigned    3.87, 5.02 A)
 &rst
  ixpk= 530, nxpk= 25, iat=1089,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1053,1054,1055,
 &end
#
#    4 PHE  HN           66 THR  QG2         4.50    (#    531:25  Preassigned    5.12, 5.91 A)
 &rst
  ixpk= 531, nxpk= 25, iat=  57,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1053,1054,1055,
 &end
#
#   66 THR  HN           66 THR  QG2         4.50    (#    532:25  Preassigned    4.33, 4.61 A)
 &rst
  ixpk= 532, nxpk= 25, iat=1047,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1053,1054,1055,
 &end
#
#    6 LYS  HN           66 THR  QG2         4.50    (#    533:25  Preassigned    3.15, 3.97 A)
 &rst
  ixpk= 533, nxpk= 25, iat=  93,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1053,1054,1055,
 &end
#
#   67 LEU  HN           66 THR  QG2         3.50    (#    534:25  Preassigned    3.43, 4.14 A)
 &rst
  ixpk= 534, nxpk= 25, iat=1061,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1053,1054,1055,
 &end
#
#    5 VAL  HN            5 VAL  QG+         3.50    (#    535:25  Unique         2.19, 3.77 A)
 &rst
  ixpk= 535, nxpk= 25, iat=  77,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=  83,  84,  85,  87,  88,  89,
 &end
#
#    6 LYS  HN            5 VAL  QG+         4.50    (#    536:25  Preassigned    3.38, 4.86 A)
 &rst
  ixpk= 536, nxpk= 25, iat=  93,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=  83,  84,  85,  87,  88,  89,
 &end
#
#    4 PHE  HA            5 VAL  QG+         4.50    (#    537:25  Preassigned    3.88, 5.66 A)
 &rst
  ixpk= 537, nxpk= 25, iat=  59,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=  83,  84,  85,  87,  88,  89,
 &end
#
#   66 THR  HA            5 VAL  QG+         4.50    (#    538:25  Preassigned    5.06, 6.60 A)
 &rst
  ixpk= 538, nxpk= 25, iat=1049,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=  83,  84,  85,  87,  88,  89,
 &end
#
#    5 VAL  HA            5 VAL  QG+         3.50    (#    539:25  Preassigned    2.28, 3.12 A)
 &rst
  ixpk= 539, nxpk= 25, iat=  79,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=  83,  84,  85,  87,  88,  89,
 &end
#
#    5 VAL  HB            5 VAL  QG+         3.50    (#    540:25  Preassigned    2.22, 2.63 A)
 &rst
  ixpk= 540, nxpk= 25, iat=  81,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=  83,  84,  85,  87,  88,  89,
 &end
#
#   67 LEU  HG            5 VAL  QG+         3.50    (#    541:25  Preassigned    3.99, 5.26 A)
 &rst
  ixpk= 541, nxpk= 25, iat=1068,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=  83,  84,  85,  87,  88,  89,
 &end
#
#   67 LEU  HB+           5 VAL  QG+         3.50    (#    542:25  Preassigned    2.14, 3.66 A)
 &rst
  ixpk= 542, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1065,1066,
 igr2=  83,  84,  85,  87,  88,  89,
 &end
#
#    0 AMB  25-3:543      0 AMB  25-1:543    3.50    (#    543:25  Double Ambig)
 &rst
  ixpk= 543, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1=1065,1066,1101,1102,
 igr2=  83,  84,  85,  87,  88,  89,  83,  84,  85,  87,
        88,  89,
 &end
#
#   15 LEU  HG            5 VAL  QG+         3.50    (#    544:25  Preassigned    3.93, 5.93 A)
 &rst
  ixpk= 544, nxpk= 25, iat= 245,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=  83,  84,  85,  87,  88,  89,
 &end
#
#    0 AMB  25-3:545      0 AMB  25-1:545    4.50    (#    545:25  Double Ambig)
 &rst
  ixpk= 545, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 242, 243, 121, 122, 123,
 igr2=  83,  84,  85,  87,  88,  89,  83,  84,  85,  87,
        88,  89,
 &end
#
#   69 LEU  HB+           5 VAL  QG+         3.50    (#    546:25  Unique         2.34, 5.22 A)
 &rst
  ixpk= 546, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1101,1102,
 igr2=  83,  84,  85,  87,  88,  89,
 &end
#
#    0 AMB  25-3:547      0 AMB  25-1:547    3.50    (#    547:25  Double Ambig)
 &rst
  ixpk= 547, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 485, 486, 487, 211, 212, 213,
 igr2=  83,  84,  85,  87,  88,  89,  83,  84,  85,  87,
        88,  89,
 &end
#
#    0 AMB  25-3:548      0 AMB  25-1:548    2.80    (#    548:25  Double Ambig)
 &rst
  ixpk= 548, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1=  51,  52,  53, 895, 896, 897, 899, 900, 901,
 igr2= 278, 279, 280, 282, 283, 284, 278, 279, 280, 282,
       283, 284,
 &end
#
#    3 ILE  HG1+         17 VAL  QG+         3.50    (#    549:25  Preassigned    1.99, 4.09 A)
 &rst
  ixpk= 549, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=  48,  49,
 igr2= 278, 279, 280, 282, 283, 284,
 &end
#
#   15 LEU  HB+          17 VAL  QG+         4.50    (#    550:25  Preassigned    4.08, 5.56 A)
 &rst
  ixpk= 550, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 242, 243,
 igr2= 278, 279, 280, 282, 283, 284,
 &end
#
#   15 LEU  HG           17 VAL  QG+         4.50    (#    551:25  Unique         2.17, 3.77 A)
 &rst
  ixpk= 551, nxpk= 25, iat= 245,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 278, 279, 280, 282, 283, 284,
 &end
#
#   29 LYS  HD-          17 VAL  QG+         5.50    (#    552:25  Preassigned    2.53, 5.00 A)
 &rst
  ixpk= 552, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 460, 461,
 igr2= 278, 279, 280, 282, 283, 284,
 &end
#
#    1 MET  QE           17 VAL  QG+         3.50    (#    553:25  Preassigned    3.03, 6.30 A)
 &rst
  ixpk= 553, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  15,  16,  17,
 igr2= 278, 279, 280, 282, 283, 284,
 &end
#
#   29 LYS  HG-          17 VAL  QG+         4.50    (#    554:25  Unique         2.93, 5.43 A)
 &rst
  ixpk= 554, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 457, 458,
 igr2= 278, 279, 280, 282, 283, 284,
 &end
#
#    1 MET  HG-          17 VAL  QG+         3.50    (#    555:25  Preassigned    3.53, 6.10 A)
 &rst
  ixpk= 555, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=  11,  12,
 igr2= 278, 279, 280, 282, 283, 284,
 &end
#
#    0 AMB  25-3:556      0 AMB  25-1:556    4.50    (#    556:25  Double Ambig)
 &rst
  ixpk= 556, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1= 264, 265, 890, 891,
 igr2= 278, 279, 280, 282, 283, 284, 278, 279, 280, 282,
       283, 284,
 &end
#
#   17 VAL  HB           17 VAL  QG+         3.50    (#    557:25  Preassigned    2.36, 2.63 A)
 &rst
  ixpk= 557, nxpk= 25, iat= 276,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 278, 279, 280, 282, 283, 284,
 &end
#
#    1 MET  HG+          17 VAL  QG+         3.50    (#    558:25  Preassigned    3.53, 6.10 A)
 &rst
  ixpk= 558, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=  11,  12,
 igr2= 278, 279, 280, 282, 283, 284,
 &end
#
#    0 AMB  25-3:559      0 AMB  25-1:559    4.50    (#    559:25  Double Ambig)
 &rst
  ixpk= 559, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.75, r4= 9.25,
 igr1=  40, 313, 452,
 igr2= 278, 279, 280, 282, 283, 284, 278, 279, 280, 282,
       283, 284, 278, 279, 280, 282, 283, 284,
 &end
#
#   17 VAL  HA           17 VAL  QG+         3.50    (#    560:25  Preassigned    2.37, 3.32 A)
 &rst
  ixpk= 560, nxpk= 25, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 278, 279, 280, 282, 283, 284,
 &end
#
#   16 GLU  HA           17 VAL  QG+         4.50    (#    561:25  Preassigned    3.55, 4.99 A)
 &rst
  ixpk= 561, nxpk= 25, iat= 259,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 278, 279, 280, 282, 283, 284,
 &end
#
#    2 GLN  HA           17 VAL  QG+         4.50    (#    562:25  Preassigned    3.20, 4.96 A)
 &rst
  ixpk= 562, nxpk= 25, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 278, 279, 280, 282, 283, 284,
 &end
#
#    3 ILE  HN           17 VAL  QG+         4.50    (#    563:25  Preassigned    3.57, 5.31 A)
 &rst
  ixpk= 563, nxpk= 25, iat=  38,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 278, 279, 280, 282, 283, 284,
 &end
#
#   18 GLU  HN           17 VAL  QG+         3.50    (#    564:25  Preassigned    2.90, 3.91 A)
 &rst
  ixpk= 564, nxpk= 25, iat= 288,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 278, 279, 280, 282, 283, 284,
 &end
#
#   17 VAL  HN           17 VAL  QG+         3.50    (#    565:25  Preassigned    2.41, 3.76 A)
 &rst
  ixpk= 565, nxpk= 25, iat= 272,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 278, 279, 280, 282, 283, 284,
 &end
#
#   61 ILE  QG2           3 ILE  QG2         2.80    (#    566:25  Unique         2.02, 3.11 A)
 &rst
  ixpk= 566, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 969, 970, 971,
 igr2=  44,  45,  46,
 &end
#
#    3 ILE  HG1+          3 ILE  QG2         3.50    (#    567:25  Preassigned    2.02, 3.32 A)
 &rst
  ixpk= 567, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  48,  49,
 igr2=  44,  45,  46,
 &end
#
#   56 LEU  HB-           3 ILE  QG2         4.50    (#    568:25  Unique         4.16, 5.51 A)
 &rst
  ixpk= 568, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 890, 891,
 igr2=  44,  45,  46,
 &end
#
#    0 AMB  25-3:569      3 ILE  QG2         4.50    (#    569:25  Single Ambig)
 &rst
  ixpk= 569, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 967, 245,
 igr2=  44,  45,  46,
 &end
#
#    0 AMB  25-3:570      3 ILE  QG2         4.50    (#    570:25  Single Ambig)
 &rst
  ixpk= 570, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1006,1007,1006,1007,
 igr2=  44,  45,  46,
 &end
#
#    1 MET  QE            3 ILE  QG2         2.80    (#    571:25  Preassigned    2.43, 3.99 A)
 &rst
  ixpk= 571, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=  15,  16,  17,
 igr2=  44,  45,  46,
 &end
#
#    3 ILE  HB            3 ILE  QG2         2.80    (#    572:25  Preassigned    2.22, 2.63 A)
 &rst
  ixpk= 572, nxpk= 25, iat=  42,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=  44,  45,  46,
 &end
#
#    1 MET  HG-           3 ILE  QG2         3.50    (#    573:25  Preassigned    3.76, 5.16 A)
 &rst
  ixpk= 573, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  11,  12,
 igr2=  44,  45,  46,
 &end
#
#    0 AMB  25-3:574      3 ILE  QG2         4.50    (#    574:25  Single Ambig)
 &rst
  ixpk= 574, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 890, 891,   8,   9,
 igr2=  44,  45,  46,
 &end
#
#    0 AMB  25-3:575      3 ILE  QG2         4.50    (#    575:25  Single Ambig)
 &rst
  ixpk= 575, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=  28,  29,1028,1029,1028,1029,
 igr2=  44,  45,  46,
 &end
#
#    1 MET  HG+           3 ILE  QG2         4.50    (#    576:25  Preassigned    3.76, 5.16 A)
 &rst
  ixpk= 576, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  11,  12,
 igr2=  44,  45,  46,
 &end
#
#   64 GLU  HA            3 ILE  QG2         4.50    (#    577:25  Preassigned    4.01, 5.11 A)
 &rst
  ixpk= 577, nxpk= 25, iat=1023,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  44,  45,  46,
 &end
#
#   65 SER  HB-           3 ILE  QG2         4.50    (#    578:25  Preassigned    1.96, 2.84 A)
 &rst
  ixpk= 578, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1040,1041,
 igr2=  44,  45,  46,
 &end
#
#   65 SER  HB+           3 ILE  QG2         3.50    (#    579:25  Unique         1.96, 2.84 A)
 &rst
  ixpk= 579, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1040,1041,
 igr2=  44,  45,  46,
 &end
#
#    3 ILE  HA            3 ILE  QG2         3.50    (#    580:25  Preassigned    2.00, 2.83 A)
 &rst
  ixpk= 580, nxpk= 25, iat=  40,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  44,  45,  46,
 &end
#
#    0 AMB  25-3:581      3 ILE  QG2         4.50    (#    581:25  Single Ambig)
 &rst
  ixpk= 581, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  23,1049,
 igr2=  44,  45,  46,
 &end
#
#   65 SER  HN            3 ILE  QG2         3.50    (#    582:25  Preassigned    1.86, 2.89 A)
 &rst
  ixpk= 582, nxpk= 25, iat=1036,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  44,  45,  46,
 &end
#
#    3 ILE  HN            3 ILE  QG2         4.50    (#    583:25  Preassigned    3.83, 4.36 A)
 &rst
  ixpk= 583, nxpk= 25, iat=  38,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  44,  45,  46,
 &end
#
#    4 PHE  HN            3 ILE  QG2         3.50    (#    584:25  Preassigned    3.38, 4.13 A)
 &rst
  ixpk= 584, nxpk= 25, iat=  57,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  44,  45,  46,
 &end
#
#    0 AMB  25-3:585      3 ILE  QG2         5.50    (#    585:25  Single Ambig)
 &rst
  ixpk= 585, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  21, 272,
 igr2=  44,  45,  46,
 &end
#
#   64 GLU  HN            3 ILE  QG2         4.50    (#    586:25  Preassigned    3.68, 4.75 A)
 &rst
  ixpk= 586, nxpk= 25, iat=1021,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  44,  45,  46,
 &end
#
#   65 SER  HN           61 ILE  QG2         4.50    (#    587:25  Preassigned    4.05, 4.53 A)
 &rst
  ixpk= 587, nxpk= 25, iat=1036,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 969, 970, 971,
 &end
#
#   62 GLN  HN           61 ILE  QG2         3.50    (#    588:25  Preassigned    3.22, 4.26 A)
 &rst
  ixpk= 588, nxpk= 25, iat= 982,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 969, 970, 971,
 &end
#
#    0 AMB  25-3:589     61 ILE  QG2         4.50    (#    589:25  Single Ambig)
 &rst
  ixpk= 589, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 729, 731, 733,
 igr2= 969, 970, 971,
 &end
#
#    0 AMB  25-3:590     61 ILE  QG2         3.50    (#    590:25  Single Ambig)
 &rst
  ixpk= 590, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 963, 994, 995, 727,
 igr2= 969, 970, 971,
 &end
#
#   62 GLN  HA           61 ILE  QG2         5.50    (#    591:25  Preassigned    4.00, 4.84 A)
 &rst
  ixpk= 591, nxpk= 25, iat= 984,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 969, 970, 971,
 &end
#
#   56 LEU  HA           61 ILE  QG2         4.50    (#    592:25  Preassigned    3.73, 4.56 A)
 &rst
  ixpk= 592, nxpk= 25, iat= 888,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 969, 970, 971,
 &end
#
#   65 SER  HB+          61 ILE  QG2         3.50    (#    593:25  Preassigned    1.94, 2.77 A)
 &rst
  ixpk= 593, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1040,1041,
 igr2= 969, 970, 971,
 &end
#
#   65 SER  HB-          61 ILE  QG2         3.50    (#    594:25  Preassigned    1.94, 2.77 A)
 &rst
  ixpk= 594, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1040,1041,
 igr2= 969, 970, 971,
 &end
#
#   61 ILE  HA           61 ILE  QG2         3.50    (#    595:25  Preassigned    2.45, 3.15 A)
 &rst
  ixpk= 595, nxpk= 25, iat= 965,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 969, 970, 971,
 &end
#
#   62 GLN  HG-          61 ILE  QG2         4.50    (#    596:25  Preassigned    5.14, 6.70 A)
 &rst
  ixpk= 596, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 989, 990,
 igr2= 969, 970, 971,
 &end
#
#   56 LEU  HB+          61 ILE  QG2         4.50    (#    597:25  Preassigned    1.88, 3.74 A)
 &rst
  ixpk= 597, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 890, 891,
 igr2= 969, 970, 971,
 &end
#
#    0 AMB  25-3:598     61 ILE  QG2         4.50    (#    598:25  Single Ambig)
 &rst
  ixpk= 598, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 986, 987, 986, 987,1003,1004,
 igr2= 969, 970, 971,
 &end
#
#    0 AMB  25-3:599     61 ILE  QG2         4.50    (#    599:25  Single Ambig)
 &rst
  ixpk= 599, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  42, 893,
 igr2= 969, 970, 971,
 &end
#
#    1 MET  QE           61 ILE  QG2         3.50    (#    600:25  Preassigned    2.48, 3.89 A)
 &rst
  ixpk= 600, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  15,  16,  17,
 igr2= 969, 970, 971,
 &end
#
#   61 ILE  HB           61 ILE  QG2         3.50    (#    601:25  Preassigned    2.22, 2.63 A)
 &rst
  ixpk= 601, nxpk= 25, iat= 967,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 969, 970, 971,
 &end
#
#   61 ILE  HG1+         61 ILE  QG2         3.50    (#    602:25  Preassigned    2.11, 3.38 A)
 &rst
  ixpk= 602, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 973, 974,
 igr2= 969, 970, 971,
 &end
#
#    0 AMB  25-3:603     61 ILE  QG2         2.80    (#    603:25  Single Ambig)
 &rst
  ixpk= 603, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1=  44,  45,  46, 895, 896, 897, 899, 900, 901,
 igr2= 969, 970, 971,
 &end
#
#   61 ILE  HG1-         61 ILE  QG2         3.50    (#    604:25  Preassigned    2.11, 3.38 A)
 &rst
  ixpk= 604, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 973, 974,
 igr2= 969, 970, 971,
 &end
#
#   30 ILE  QD1          30 ILE  QG2         2.80    (#    605:25  Preassigned    2.52, 4.05 A)
 &rst
  ixpk= 605, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 485, 486, 487,
 igr2= 478, 479, 480,
 &end
#
#   69 LEU  HB+          30 ILE  QG2         4.50    (#    606:25  Unique         2.63, 4.22 A)
 &rst
  ixpk= 606, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1101,1102,
 igr2= 478, 479, 480,
 &end
#
#   36 ILE  HB           30 ILE  QG2         3.50    (#    607:25  Preassigned    3.77, 4.85 A)
 &rst
  ixpk= 607, nxpk= 25, iat= 568,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 478, 479, 480,
 &end
#
#    0 AMB  25-3:608     30 ILE  QG2         3.50    (#    608:25  Single Ambig)
 &rst
  ixpk= 608, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 546, 547, 647, 648,
 igr2= 478, 479, 480,
 &end
#
#    0 AMB  25-3:609     30 ILE  QG2         4.50    (#    609:25  Single Ambig)
 &rst
  ixpk= 609, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 524, 525, 644, 645, 644, 645,
 igr2= 478, 479, 480,
 &end
#
#   30 ILE  HG1+         30 ILE  QG2         3.50    (#    610:25  Preassigned    2.07, 3.35 A)
 &rst
  ixpk= 610, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 482, 483,
 igr2= 478, 479, 480,
 &end
#
#   30 ILE  HB           30 ILE  QG2         3.50    (#    611:25  Preassigned    2.28, 2.63 A)
 &rst
  ixpk= 611, nxpk= 25, iat= 476,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 478, 479, 480,
 &end
#
#   30 ILE  HA           30 ILE  QG2         3.50    (#    613:25  Preassigned    2.24, 2.99 A)
 &rst
  ixpk= 613, nxpk= 25, iat= 474,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 478, 479, 480,
 &end
#
#   27 LYS  HA           30 ILE  QG2         4.50    (#    614:25  Preassigned    4.68, 5.28 A)
 &rst
  ixpk= 614, nxpk= 25, iat= 420,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 478, 479, 480,
 &end
#
#   41 GLN  HE2+         30 ILE  QG2         4.50    (#    615:25  Preassigned    3.46, 4.61 A)
 &rst
  ixpk= 615, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 652, 653,
 igr2= 478, 479, 480,
 &end
#
#   41 GLN  HE2-         30 ILE  QG2         4.50    (#    616:25  Preassigned    3.46, 4.61 A)
 &rst
  ixpk= 616, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 652, 653,
 igr2= 478, 479, 480,
 &end
#
#   30 ILE  HN           30 ILE  QG2         4.50    (#    617:25  Preassigned    4.32, 4.51 A)
 &rst
  ixpk= 617, nxpk= 25, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 478, 479, 480,
 &end
#
#    0 AMB  25-3:618     30 ILE  QG2         4.50    (#    618:25  Single Ambig)
 &rst
  ixpk= 618, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 491, 557,
 igr2= 478, 479, 480,
 &end
#
#   51 GLU  HN           23 ILE  QG2         5.50    (#    619:25  Preassigned    3.37, 4.50 A)
 &rst
  ixpk= 619, nxpk= 25, iat= 814,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 360, 361, 362,
 &end
#
#    0 AMB  25-3:620     23 ILE  QG2         4.50    (#    620:25  Single Ambig)
 &rst
  ixpk= 620, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 829, 402,
 igr2= 360, 361, 362,
 &end
#
#   22 THR  HB           23 ILE  QG2         5.50    (#    621:25  Preassigned    6.16, 6.54 A)
 &rst
  ixpk= 621, nxpk= 25, iat= 344,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 360, 361, 362,
 &end
#
#   51 GLU  HA           23 ILE  QG2         5.50    (#    622:25  Preassigned    3.61, 4.58 A)
 &rst
  ixpk= 622, nxpk= 25, iat= 816,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 360, 361, 362,
 &end
#
#   52 ASP  HA           23 ILE  QG2         3.50    (#    623:25  Preassigned    2.71, 3.58 A)
 &rst
  ixpk= 623, nxpk= 25, iat= 831,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 360, 361, 362,
 &end
#
#    0 AMB  25-3:624     23 ILE  QG2         4.50    (#    624:25  Single Ambig)
 &rst
  ixpk= 624, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 797, 888,
 igr2= 360, 361, 362,
 &end
#
#   24 GLU  HA           23 ILE  QG2         4.50    (#    625:25  Preassigned    3.81, 4.81 A)
 &rst
  ixpk= 625, nxpk= 25, iat= 375,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 360, 361, 362,
 &end
#
#   23 ILE  HA           23 ILE  QG2         3.50    (#    626:25  Preassigned    2.33, 3.08 A)
 &rst
  ixpk= 626, nxpk= 25, iat= 356,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 360, 361, 362,
 &end
#
#   23 ILE  HB           23 ILE  QG2         2.80    (#    627:25  Preassigned    2.22, 2.63 A)
 &rst
  ixpk= 627, nxpk= 25, iat= 358,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 360, 361, 362,
 &end
#
#   26 VAL  HB           23 ILE  QG2         4.50    (#    628:25  Unique         2.87, 3.97 A)
 &rst
  ixpk= 628, nxpk= 25, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 360, 361, 362,
 &end
#
#    0 AMB  25-3:629     23 ILE  QG2         4.50    (#    629:25  Single Ambig)
 &rst
  ixpk= 629, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 852, 853, 818, 819, 604, 605,
 igr2= 360, 361, 362,
 &end
#
#   23 ILE  HG1+         23 ILE  QG2         3.50    (#    630:25  Preassigned    2.02, 3.34 A)
 &rst
  ixpk= 630, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 364, 365,
 igr2= 360, 361, 362,
 &end
#
#   50 LEU  HB+          23 ILE  QG2         3.50    (#    631:25  Unique         2.06, 3.63 A)
 &rst
  ixpk= 631, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 799, 800,
 igr2= 360, 361, 362,
 &end
#
#   23 ILE  HG1-         23 ILE  QG2         3.50    (#    632:25  Preassigned    2.02, 3.34 A)
 &rst
  ixpk= 632, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 364, 365,
 igr2= 360, 361, 362,
 &end
#
#   26 VAL  QG+          23 ILE  QG2         3.50    (#    633:25  Preassigned    4.14, 5.83 A)
 &rst
  ixpk= 633, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 408, 409, 410, 412, 413, 414,
 igr2= 360, 361, 362,
 &end
#
#   23 ILE  QD1          23 ILE  QG2         2.80    (#    634:25  Preassigned    2.51, 4.07 A)
 &rst
  ixpk= 634, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 367, 368, 369,
 igr2= 360, 361, 362,
 &end
#
#   40 GLN  HN           36 ILE  QG2         4.50    (#    635:25  Preassigned    4.18, 5.00 A)
 &rst
  ixpk= 635, nxpk= 25, iat= 623,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 570, 571, 572,
 &end
#
#   41 GLN  HN           36 ILE  QG2         4.50    (#    636:25  Preassigned    4.15, 4.79 A)
 &rst
  ixpk= 636, nxpk= 25, iat= 640,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 570, 571, 572,
 &end
#
#   41 GLN  HE2-         36 ILE  QG2         4.50    (#    637:25  Preassigned    3.37, 5.23 A)
 &rst
  ixpk= 637, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 652, 653,
 igr2= 570, 571, 572,
 &end
#
#   36 ILE  HN           36 ILE  QG2         4.50    (#    638:25  Preassigned    4.39, 4.63 A)
 &rst
  ixpk= 638, nxpk= 25, iat= 564,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 570, 571, 572,
 &end
#
#   41 GLN  HE2+         36 ILE  QG2         4.50    (#    639:25  Preassigned    3.37, 5.23 A)
 &rst
  ixpk= 639, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 652, 653,
 igr2= 570, 571, 572,
 &end
#
#   36 ILE  HA           36 ILE  QG2         3.50    (#    640:25  Preassigned    2.65, 3.08 A)
 &rst
  ixpk= 640, nxpk= 25, iat= 566,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 570, 571, 572,
 &end
#
#   41 GLN  HA           36 ILE  QG2         4.50    (#    641:25  Unique         2.75, 3.57 A)
 &rst
  ixpk= 641, nxpk= 25, iat= 642,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 570, 571, 572,
 &end
#
#   37 PRO  HD+          36 ILE  QG2         3.50    (#    642:25  Preassigned    2.07, 3.50 A)
 &rst
  ixpk= 642, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 584, 585,
 igr2= 570, 571, 572,
 &end
#
#   37 PRO  HD-          36 ILE  QG2         3.50    (#    643:25  Preassigned    2.07, 3.50 A)
 &rst
  ixpk= 643, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 584, 585,
 igr2= 570, 571, 572,
 &end
#
#   41 GLN  HG+          36 ILE  QG2         3.50    (#    644:25  Preassigned    2.51, 4.28 A)
 &rst
  ixpk= 644, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 647, 648,
 igr2= 570, 571, 572,
 &end
#
#    0 AMB  25-3:645     36 ILE  QG2         5.50    (#    645:25  Single Ambig)
 &rst
  ixpk= 645, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 498, 499, 546, 547,
 igr2= 570, 571, 572,
 &end
#
#    0 AMB  25-3:646     36 ILE  QG2         4.50    (#    646:25  Single Ambig)
 &rst
  ixpk= 646, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 590, 591, 498, 499, 495, 496,
 igr2= 570, 571, 572,
 &end
#
#   40 GLN  HB-          36 ILE  QG2         4.50    (#    647:25  Preassigned    3.71, 5.01 A)
 &rst
  ixpk= 647, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 627, 628,
 igr2= 570, 571, 572,
 &end
#
#    0 AMB  25-3:649     36 ILE  QG2         2.80    (#    649:25  Single Ambig)
 &rst
  ixpk= 649, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 574, 575, 568,
 igr2= 570, 571, 572,
 &end
#
#   36 ILE  HG1+         36 ILE  QG2         3.50    (#    650:25  Preassigned    2.28, 3.46 A)
 &rst
  ixpk= 650, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 574, 575,
 igr2= 570, 571, 572,
 &end
#
#   36 ILE  QD1          36 ILE  QG2         2.80    (#    651:25  Unique         2.14, 3.73 A)
 &rst
  ixpk= 651, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 577, 578, 579,
 igr2= 570, 571, 572,
 &end
#
#   13 ILE  HN           13 ILE  QG2         4.50    (#    652:25  Preassigned    1.92, 2.60 A)
 &rst
  ixpk= 652, nxpk= 25, iat= 205,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 211, 212, 213,
 &end
#
#    5 VAL  HN           13 ILE  QG2         4.50    (#    653:25  Preassigned    3.14, 4.23 A)
 &rst
  ixpk= 653, nxpk= 25, iat=  77,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 211, 212, 213,
 &end
#
#    0 AMB  25-3:654     13 ILE  QG2         3.50    (#    654:25  Single Ambig)
 &rst
  ixpk= 654, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 115, 224,
 igr2= 211, 212, 213,
 &end
#
#    0 AMB  25-3:655     13 ILE  QG2         4.50    (#    655:25  Single Ambig)
 &rst
  ixpk= 655, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 191, 542, 238,
 igr2= 211, 212, 213,
 &end
#
#    5 VAL  HA           13 ILE  QG2         4.50    (#    656:25  Preassigned    4.32, 5.18 A)
 &rst
  ixpk= 656, nxpk= 25, iat=  79,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 211, 212, 213,
 &end
#
#   13 ILE  HA           13 ILE  QG2         3.50    (#    657:25  Preassigned    3.57, 3.85 A)
 &rst
  ixpk= 657, nxpk= 25, iat= 207,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 211, 212, 213,
 &end
#
#   30 ILE  HA           13 ILE  QG2         4.50    (#    658:25  Preassigned    4.28, 5.18 A)
 &rst
  ixpk= 658, nxpk= 25, iat= 474,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 211, 212, 213,
 &end
#
#    0 AMB  25-3:659     13 ILE  QG2         4.50    (#    659:25  Single Ambig)
 &rst
  ixpk= 659, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 533, 534, 533, 534,
 igr2= 211, 212, 213,
 &end
#
#    0 AMB  25-3:660     13 ILE  QG2         4.50    (#    660:25  Single Ambig)
 &rst
  ixpk= 660, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 182, 183, 182, 183,
 igr2= 211, 212, 213,
 &end
#
#   34 GLU  HG-          13 ILE  QG2         4.50    (#    661:25  Preassigned    2.80, 4.04 A)
 &rst
  ixpk= 661, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 549, 550,
 igr2= 211, 212, 213,
 &end
#
#   30 ILE  HG1+         13 ILE  QG2         4.50    (#    662:25  Preassigned    5.39, 6.53 A)
 &rst
  ixpk= 662, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 482, 483,
 igr2= 211, 212, 213,
 &end
#
#   13 ILE  HB           13 ILE  QG2         2.80    (#    663:25  Preassigned    2.40, 2.63 A)
 &rst
  ixpk= 663, nxpk= 25, iat= 209,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 211, 212, 213,
 &end
#
#    0 AMB  25-3:664     13 ILE  QG2         3.50    (#    664:25  Single Ambig)
 &rst
  ixpk= 664, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 530, 531, 530, 531, 546, 547, 173, 174,
 igr2= 211, 212, 213,
 &end
#
#    0 AMB  25-3:665     13 ILE  QG2         3.50    (#    665:25  Single Ambig)
 &rst
  ixpk= 665, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 179, 180, 179, 180,
 igr2= 211, 212, 213,
 &end
#
#   13 ILE  HG1+         13 ILE  QG2         3.50    (#    666:25  Preassigned    3.06, 3.65 A)
 &rst
  ixpk= 666, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 215, 216,
 igr2= 211, 212, 213,
 &end
#
#    0 AMB  25-3:667     13 ILE  QG2         3.50    (#    667:25  Single Ambig)
 &rst
  ixpk= 667, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 121, 122, 123, 176, 177,
 igr2= 211, 212, 213,
 &end
#
#   13 ILE  HG1-         13 ILE  QG2         3.50    (#    668:25  Preassigned    3.06, 3.65 A)
 &rst
  ixpk= 668, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 215, 216,
 igr2= 211, 212, 213,
 &end
#
#   13 ILE  QD1          13 ILE  QG2         2.80    (#    669:25  Preassigned    1.99, 3.17 A)
 &rst
  ixpk= 669, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 218, 219, 220,
 igr2= 211, 212, 213,
 &end
#
#   50 LEU  QD+          44 ILE  QG2         4.50    (#    670:25  Preassigned    4.31, 7.14 A)
 &rst
  ixpk= 670, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 804, 805, 806, 808, 809, 810,
 igr2= 706, 707, 708,
 &end
#
#   44 ILE  HG1-         44 ILE  QG2         2.80    (#    671:25  Preassigned    2.58, 3.55 A)
 &rst
  ixpk= 671, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 710, 711,
 igr2= 706, 707, 708,
 &end
#
#   44 ILE  HG1+         44 ILE  QG2         3.50    (#    672:25  Preassigned    2.58, 3.55 A)
 &rst
  ixpk= 672, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 710, 711,
 igr2= 706, 707, 708,
 &end
#
#    0 AMB  25-3:673     44 ILE  QG2         4.50    (#    673:25  Single Ambig)
 &rst
  ixpk= 673, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
 igr1= 763, 764, 763, 764, 802, 664, 665,
 igr2= 706, 707, 708,
 &end
#
#   44 ILE  HB           44 ILE  QG2         2.80    (#    675:25  Preassigned    2.28, 2.63 A)
 &rst
  ixpk= 675, nxpk= 25, iat= 704,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 706, 707, 708,
 &end
#
#    0 AMB  25-3:676     44 ILE  QG2         3.50    (#    676:25  Single Ambig)
 &rst
  ixpk= 676, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 782, 783, 760, 761, 760, 761,1120,
 igr2= 706, 707, 708,
 &end
#
#   68 HIS  HB-          44 ILE  QG2         4.50    (#    678:25  Preassigned    1.98, 3.55 A)
 &rst
  ixpk= 678, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1084,1085,
 igr2= 706, 707, 708,
 &end
#
#   68 HIS  HB+          44 ILE  QG2         4.50    (#    679:25  Unique         1.98, 3.55 A)
 &rst
  ixpk= 679, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1084,1085,
 igr2= 706, 707, 708,
 &end
#
#   45 PHE  HB+          44 ILE  QG2         4.50    (#    680:25  Preassigned    4.80, 5.73 A)
 &rst
  ixpk= 680, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 723, 724,
 igr2= 706, 707, 708,
 &end
#
#   47 GLY  HA+          44 ILE  QG2         3.50    (#    681:25  Preassigned    3.15, 4.24 A)
 &rst
  ixpk= 681, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 751, 752,
 igr2= 706, 707, 708,
 &end
#
#   46 ALA  HA           44 ILE  QG2         4.50    (#    682:25  Preassigned    4.91, 5.56 A)
 &rst
  ixpk= 682, nxpk= 25, iat= 741,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 706, 707, 708,
 &end
#
#   47 GLY  HA-          44 ILE  QG2         4.50    (#    684:25  Preassigned    3.15, 4.24 A)
 &rst
  ixpk= 684, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 751, 752,
 igr2= 706, 707, 708,
 &end
#
#    0 AMB  25-3:685     44 ILE  QG2         4.50    (#    685:25  Single Ambig)
 &rst
  ixpk= 685, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 780, 758,
 igr2= 706, 707, 708,
 &end
#
#   44 ILE  HA           44 ILE  QG2         3.50    (#    686:25  Preassigned    2.57, 3.26 A)
 &rst
  ixpk= 686, nxpk= 25, iat= 702,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 706, 707, 708,
 &end
#
#   45 PHE  HA           44 ILE  QG2         4.50    (#    687:25  Preassigned    3.26, 4.25 A)
 &rst
  ixpk= 687, nxpk= 25, iat= 721,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 706, 707, 708,
 &end
#
#   48 LYS  HN           44 ILE  QG2         3.50    (#    688:25  Preassigned    2.84, 3.77 A)
 &rst
  ixpk= 688, nxpk= 25, iat= 756,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 706, 707, 708,
 &end
#
#   47 GLY  HN           44 ILE  QG2         3.50    (#    689:25  Preassigned    2.69, 3.18 A)
 &rst
  ixpk= 689, nxpk= 25, iat= 749,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 706, 707, 708,
 &end
#
#   45 PHE  HN           44 ILE  QG2         3.50    (#    690:25  Unique         2.27, 3.17 A)
 &rst
  ixpk= 690, nxpk= 25, iat= 719,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 706, 707, 708,
 &end
#
#   68 HIS  HN           44 ILE  QG2         4.50    (#    691:25  Preassigned    4.04, 5.23 A)
 &rst
  ixpk= 691, nxpk= 25, iat=1080,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 706, 707, 708,
 &end
#
#   44 ILE  HN           44 ILE  QG2         4.50    (#    692:25  Preassigned    3.98, 4.56 A)
 &rst
  ixpk= 692, nxpk= 25, iat= 700,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 706, 707, 708,
 &end
#
#    0 AMB  25-3:693     46 ALA  QB          4.50    (#    693:25  Single Ambig)
 &rst
  ixpk= 693, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 763, 764, 763, 764,
 igr2= 743, 744, 745,
 &end
#
#    0 AMB  25-3:694     46 ALA  QB          4.50    (#    694:25  Single Ambig)
 &rst
  ixpk= 694, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 760, 761, 760, 761, 766, 767,
 igr2= 743, 744, 745,
 &end
#
#    0 AMB  25-3:695     46 ALA  QB          4.50    (#    695:25  Single Ambig)
 &rst
  ixpk= 695, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 769, 770, 769, 770,
 igr2= 743, 744, 745,
 &end
#
#   46 ALA  HA           46 ALA  QB          2.80    (#    696:25  Preassigned    2.28, 2.63 A)
 &rst
  ixpk= 696, nxpk= 25, iat= 741,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 743, 744, 745,
 &end
#
#   45 PHE  HA           46 ALA  QB          4.50    (#    697:25  Preassigned    4.32, 4.97 A)
 &rst
  ixpk= 697, nxpk= 25, iat= 721,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 743, 744, 745,
 &end
#
#   45 PHE  HD2          46 ALA  QB          3.50    (#    698:25  Preassigned    3.68, 4.79 A)
 &rst
  ixpk= 698, nxpk= 25, iat= 735,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 743, 744, 745,
 &end
#
#    0 AMB  25-3:699     46 ALA  QB          4.50    (#    699:25  Single Ambig)
 &rst
  ixpk= 699, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 733, 729,
 igr2= 743, 744, 745,
 &end
#
#   48 LYS  HN           46 ALA  QB          4.50    (#    700:25  Preassigned    3.70, 4.38 A)
 &rst
  ixpk= 700, nxpk= 25, iat= 756,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 743, 744, 745,
 &end
#
#   47 GLY  HN           46 ALA  QB          4.50    (#    701:25  Preassigned    4.31, 4.47 A)
 &rst
  ixpk= 701, nxpk= 25, iat= 749,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 743, 744, 745,
 &end
#
#   46 ALA  HN           46 ALA  QB          3.50    (#    702:25  Preassigned    3.12, 3.52 A)
 &rst
  ixpk= 702, nxpk= 25, iat= 739,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 743, 744, 745,
 &end
#
#    0 AMB  25-3:703     30 ILE  QD1         2.80    (#    703:25  Single Ambig)
 &rst
  ixpk= 703, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1=  83,  84,  85,  87,  88,  89,  83,  84,  85,  87,
        88,  89, 482, 483, 247, 248, 249, 251, 252, 253,
       478, 479, 480, 218, 219, 220,
 igr2= 485, 486, 487,
 &end
#
#    0 AMB  25-3:704     30 ILE  QD1         3.50    (#    704:25  Single Ambig)
 &rst
  ixpk= 704, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 215, 216, 460, 461,
 igr2= 485, 486, 487,
 &end
#
#    0 AMB  25-3:705     30 ILE  QD1         3.50    (#    705:25  Single Ambig)
 &rst
  ixpk= 705, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 527, 528, 527, 528, 457, 458,1065,1066,
 igr2= 485, 486, 487,
 &end
#
#   30 ILE  HG1+         30 ILE  QD1         2.80    (#    706:25  Preassigned    2.25, 2.62 A)
 &rst
  ixpk= 706, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 482, 483,
 igr2= 485, 486, 487,
 &end
#
#   30 ILE  HB           30 ILE  QD1         3.50    (#    707:25  Preassigned    3.60, 3.86 A)
 &rst
  ixpk= 707, nxpk= 25, iat= 476,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 485, 486, 487,
 &end
#
#   27 LYS  HA           30 ILE  QD1         3.50    (#    709:25  Preassigned    4.19, 4.68 A)
 &rst
  ixpk= 709, nxpk= 25, iat= 420,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 485, 486, 487,
 &end
#
#   30 ILE  HN           30 ILE  QD1         3.50    (#    710:25  Preassigned    2.00, 2.91 A)
 &rst
  ixpk= 710, nxpk= 25, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 485, 486, 487,
 &end
#
#    0 AMB  25-3:711     30 ILE  QD1         4.50    (#    711:25  Single Ambig)
 &rst
  ixpk= 711, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 491, 418,
 igr2= 485, 486, 487,
 &end
#
#   36 ILE  QG2          36 ILE  QD1         2.80    (#    712:25  Preassigned    2.14, 3.73 A)
 &rst
  ixpk= 712, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 570, 571, 572,
 igr2= 577, 578, 579,
 &end
#
#   36 ILE  HG1+         36 ILE  QD1         2.80    (#    713:25  Preassigned    2.30, 2.62 A)
 &rst
  ixpk= 713, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 574, 575,
 igr2= 577, 578, 579,
 &end
#
#    7 THR  QG2          36 ILE  QD1         4.50    (#    714:25  Preassigned    4.16, 6.01 A)
 &rst
  ixpk= 714, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 121, 122, 123,
 igr2= 577, 578, 579,
 &end
#
#    0 AMB  25-3:715     36 ILE  QD1         2.80    (#    715:25  Single Ambig)
 &rst
  ixpk= 715, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 574, 575, 568,
 igr2= 577, 578, 579,
 &end
#
#   34 GLU  HB-          36 ILE  QD1         3.50    (#    716:25  Preassigned    2.80, 4.18 A)
 &rst
  ixpk= 716, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 546, 547,
 igr2= 577, 578, 579,
 &end
#
#   34 GLU  HG+          36 ILE  QD1         4.50    (#    718:25  Preassigned    3.81, 5.48 A)
 &rst
  ixpk= 718, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 549, 550,
 igr2= 577, 578, 579,
 &end
#
#   34 GLU  HG-          36 ILE  QD1         4.50    (#    719:25  Preassigned    3.81, 5.48 A)
 &rst
  ixpk= 719, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 549, 550,
 igr2= 577, 578, 579,
 &end
#
#   34 GLU  HB+          36 ILE  QD1         3.50    (#    720:25  Preassigned    2.80, 4.18 A)
 &rst
  ixpk= 720, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 546, 547,
 igr2= 577, 578, 579,
 &end
#
#    0 AMB  25-3:721     36 ILE  QD1         4.50    (#    721:25  Single Ambig)
 &rst
  ixpk= 721, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 630, 631, 630, 631,
 igr2= 577, 578, 579,
 &end
#
#   41 GLN  HG+          36 ILE  QD1         4.50    (#    722:25  Preassigned    3.50, 5.07 A)
 &rst
  ixpk= 722, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 647, 648,
 igr2= 577, 578, 579,
 &end
#
#   37 PRO  HD-          36 ILE  QD1         4.50    (#    723:25  Preassigned    5.00, 6.18 A)
 &rst
  ixpk= 723, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 584, 585,
 igr2= 577, 578, 579,
 &end
#
#   36 ILE  HA           36 ILE  QD1         4.50    (#    724:25  Unique         4.42, 4.68 A)
 &rst
  ixpk= 724, nxpk= 25, iat= 566,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 577, 578, 579,
 &end
#
#   34 GLU  HA           36 ILE  QD1         5.50    (#    725:25  Preassigned    5.24, 6.20 A)
 &rst
  ixpk= 725, nxpk= 25, iat= 544,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 577, 578, 579,
 &end
#
#   36 ILE  HN           36 ILE  QD1         3.50    (#    726:25  Preassigned    4.01, 4.62 A)
 &rst
  ixpk= 726, nxpk= 25, iat= 564,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 577, 578, 579,
 &end
#
#   70 VAL  QG-          44 ILE  QD1         2.80    (#    729:25  Preassigned    1.77, 4.02 A)
 &rst
  ixpk= 729, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=1122,1123,1124,1126,1127,1128,
 igr2= 713, 714, 715,
 &end
#
#   44 ILE  HG1+         44 ILE  QD1         2.80    (#    730:25  Preassigned    2.21, 2.62 A)
 &rst
  ixpk= 730, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 710, 711,
 igr2= 713, 714, 715,
 &end
#
#    0 AMB  25-3:731     44 ILE  QD1         3.50    (#    731:25  Single Ambig)
 &rst
  ixpk= 731, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 664, 665, 664, 665,
 igr2= 713, 714, 715,
 &end
#
#   42 ARG  HB-          44 ILE  QD1         4.50    (#    732:25  Preassigned    4.39, 6.52 A)
 &rst
  ixpk= 732, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 661, 662,
 igr2= 713, 714, 715,
 &end
#
#   44 ILE  HB           44 ILE  QD1         3.50    (#    733:25  Preassigned    2.52, 3.25 A)
 &rst
  ixpk= 733, nxpk= 25, iat= 704,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 713, 714, 715,
 &end
#
#    0 AMB  25-3:734     44 ILE  QD1         3.50    (#    734:25  Single Ambig)
 &rst
  ixpk= 734, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1=1120, 782, 783, 661, 662,
 igr2= 713, 714, 715,
 &end
#
#    0 AMB  25-3:735     44 ILE  QD1         3.50    (#    735:25  Single Ambig)
 &rst
  ixpk= 735, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 785, 786, 785, 786,
 igr2= 713, 714, 715,
 &end
#
#   68 HIS  HB-          44 ILE  QD1         4.50    (#    736:25  Preassigned    3.52, 5.05 A)
 &rst
  ixpk= 736, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1084,1085,
 igr2= 713, 714, 715,
 &end
#
#   49 GLN  HA           44 ILE  QD1         4.50    (#    738:25  Preassigned    4.20, 4.89 A)
 &rst
  ixpk= 738, nxpk= 25, iat= 780,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 713, 714, 715,
 &end
#
#   44 ILE  HA           44 ILE  QD1         4.50    (#    739:25  Preassigned    4.06, 4.47 A)
 &rst
  ixpk= 739, nxpk= 25, iat= 702,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 713, 714, 715,
 &end
#
#    0 AMB  25-3:740     44 ILE  QD1         5.50    (#    740:25  Single Ambig)
 &rst
  ixpk= 740, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1082,1099, 721,
 igr2= 713, 714, 715,
 &end
#
#   50 LEU  HN           44 ILE  QD1         5.50    (#    741:25  Preassigned    6.05, 6.55 A)
 &rst
  ixpk= 741, nxpk= 25, iat= 795,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 713, 714, 715,
 &end
#
#    0 AMB  25-3:742     44 ILE  QD1         4.50    (#    742:25  Single Ambig)
 &rst
  ixpk= 742, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 719, 681, 739,
 igr2= 713, 714, 715,
 &end
#
#   44 ILE  HN           44 ILE  QD1         4.50    (#    743:25  Preassigned    4.61, 5.31 A)
 &rst
  ixpk= 743, nxpk= 25, iat= 700,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 713, 714, 715,
 &end
#
#   15 LEU  HN            3 ILE  QD1         4.50    (#    744:25  Unique         4.19, 4.85 A)
 &rst
  ixpk= 744, nxpk= 25, iat= 238,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  51,  52,  53,
 &end
#
#    4 PHE  HN            3 ILE  QD1         4.50    (#    745:25  Preassigned    4.77, 5.60 A)
 &rst
  ixpk= 745, nxpk= 25, iat=  57,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  51,  52,  53,
 &end
#
#    3 ILE  HN            3 ILE  QD1         4.50    (#    746:25  Preassigned    4.21, 4.44 A)
 &rst
  ixpk= 746, nxpk= 25, iat=  38,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  51,  52,  53,
 &end
#
#    0 AMB  25-3:747      3 ILE  QD1         4.50    (#    747:25  Single Ambig)
 &rst
  ixpk= 747, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  23,1049,
 igr2=  51,  52,  53,
 &end
#
#    3 ILE  HA            3 ILE  QD1         4.50    (#    748:25  Preassigned    4.67, 5.04 A)
 &rst
  ixpk= 748, nxpk= 25, iat=  40,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  51,  52,  53,
 &end
#
#    0 AMB  25-3:749      3 ILE  QD1         4.50    (#    749:25  Single Ambig)
 &rst
  ixpk= 749, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 276, 406,
 igr2=  51,  52,  53,
 &end
#
#    0 AMB  25-3:750      3 ILE  QD1         4.50    (#    750:25  Single Ambig)
 &rst
  ixpk= 750, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=  81, 454, 455,
 igr2=  51,  52,  53,
 &end
#
#    0 AMB  25-3:751      3 ILE  QD1         3.50    (#    751:25  Single Ambig)
 &rst
  ixpk= 751, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1=1065,1066,  15,  16,  17, 457, 458,
 igr2=  51,  52,  53,
 &end
#
#    3 ILE  HB            3 ILE  QD1         3.50    (#    752:25  Preassigned    2.26, 2.91 A)
 &rst
  ixpk= 752, nxpk= 25, iat=  42,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  51,  52,  53,
 &end
#
#   15 LEU  HG            3 ILE  QD1         4.50    (#    753:25  Unique         2.40, 3.24 A)
 &rst
  ixpk= 753, nxpk= 25, iat= 245,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  51,  52,  53,
 &end
#
#    0 AMB  25-3:754      3 ILE  QD1         4.50    (#    754:25  Single Ambig)
 &rst
  ixpk= 754, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 242, 243, 890, 891,
 igr2=  51,  52,  53,
 &end
#
#    3 ILE  HG1+          3 ILE  QD1         2.80    (#    755:25  Preassigned    2.33, 2.62 A)
 &rst
  ixpk= 755, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=  48,  49,
 igr2=  51,  52,  53,
 &end
#
#    0 AMB  25-3:756      3 ILE  QD1         2.80    (#    756:25  Single Ambig)
 &rst
  ixpk= 756, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 247, 248, 249, 251, 252, 253, 278, 279, 280, 282,
       283, 284,  83,  84,  85,  87,  88,  89,  83,  84,
        85,  87,  88,  89, 408, 409, 410, 412, 413, 414,
      
 igr2=  51,  52,  53,
 &end
#
#   17 VAL  QG+           3 ILE  QD1         2.80    (#    757:25  Unique         2.05, 4.58 A)
 &rst
  ixpk= 757, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 278, 279, 280, 282, 283, 284,
 igr2=  51,  52,  53,
 &end
#
#   13 ILE  QG2          13 ILE  QD1         2.80    (#    758:25  Preassigned    1.99, 3.17 A)
 &rst
  ixpk= 758, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 211, 212, 213,
 igr2= 218, 219, 220,
 &end
#
#   13 ILE  HG1-         13 ILE  QD1         2.80    (#    759:25  Preassigned    2.37, 2.62 A)
 &rst
  ixpk= 759, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 215, 216,
 igr2= 218, 219, 220,
 &end
#
#   15 LEU  HB+          13 ILE  QD1         3.50    (#    760:25  Unique         2.42, 4.04 A)
 &rst
  ixpk= 760, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 242, 243,
 igr2= 218, 219, 220,
 &end
#
#   15 LEU  HB-          13 ILE  QD1         4.50    (#    761:25  Unique         2.42, 4.04 A)
 &rst
  ixpk= 761, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 242, 243,
 igr2= 218, 219, 220,
 &end
#
#   13 ILE  HG1+         13 ILE  QD1         3.50    (#    762:25  Preassigned    2.37, 2.62 A)
 &rst
  ixpk= 762, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 215, 216,
 igr2= 218, 219, 220,
 &end
#
#    0 AMB  25-3:763     13 ILE  QD1         3.50    (#    763:25  Single Ambig)
 &rst
  ixpk= 763, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 527, 528, 527, 528,
 igr2= 218, 219, 220,
 &end
#
#   13 ILE  HB           13 ILE  QD1         3.50    (#    764:25  Preassigned    3.36, 3.74 A)
 &rst
  ixpk= 764, nxpk= 25, iat= 209,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 218, 219, 220,
 &end
#
#    5 VAL  HB           13 ILE  QD1         3.50    (#    765:25  Preassigned    2.33, 3.37 A)
 &rst
  ixpk= 765, nxpk= 25, iat=  81,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 218, 219, 220,
 &end
#
#    0 AMB  25-3:766     13 ILE  QD1         3.50    (#    766:25  Single Ambig)
 &rst
  ixpk= 766, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 524, 525, 549, 550,
 igr2= 218, 219, 220,
 &end
#
#   34 GLU  HG-          13 ILE  QD1         3.50    (#    767:25  Preassigned    2.94, 4.70 A)
 &rst
  ixpk= 767, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 549, 550,
 igr2= 218, 219, 220,
 &end
#
#   34 GLU  HB+          13 ILE  QD1         4.50    (#    768:25  Preassigned    5.09, 6.59 A)
 &rst
  ixpk= 768, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 546, 547,
 igr2= 218, 219, 220,
 &end
#
#    0 AMB  25-3:769     13 ILE  QD1         4.50    (#    769:25  Single Ambig)
 &rst
  ixpk= 769, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 182, 183, 182, 183,
 igr2= 218, 219, 220,
 &end
#
#   30 ILE  HA           13 ILE  QD1         4.50    (#    770:25  Preassigned    2.81, 3.46 A)
 &rst
  ixpk= 770, nxpk= 25, iat= 474,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 218, 219, 220,
 &end
#
#   13 ILE  HA           13 ILE  QD1         4.50    (#    771:25  Preassigned    4.26, 4.66 A)
 &rst
  ixpk= 771, nxpk= 25, iat= 207,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 218, 219, 220,
 &end
#
#   12 THR  HA           13 ILE  QD1         5.50    (#    772:25  Preassigned    6.15, 6.96 A)
 &rst
  ixpk= 772, nxpk= 25, iat= 193,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 218, 219, 220,
 &end
#
#    0 AMB  25-3:774     13 ILE  QD1         5.50    (#    774:25  Single Ambig)
 &rst
  ixpk= 774, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 238, 542,
 igr2= 218, 219, 220,
 &end
#
#   14 THR  HN           13 ILE  QD1         4.50    (#    775:25  Preassigned    4.74, 5.29 A)
 &rst
  ixpk= 775, nxpk= 25, iat= 224,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 218, 219, 220,
 &end
#
#   13 ILE  HN           13 ILE  QD1         4.50    (#    776:25  Preassigned    4.06, 4.83 A)
 &rst
  ixpk= 776, nxpk= 25, iat= 205,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 218, 219, 220,
 &end
#
#   23 ILE  HN           23 ILE  QD1         3.50    (#    777:25  Preassigned    2.05, 3.01 A)
 &rst
  ixpk= 777, nxpk= 25, iat= 354,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 367, 368, 369,
 &end
#
#   56 LEU  HN           23 ILE  QD1         4.50    (#    778:25  Unique         3.10, 3.83 A)
 &rst
  ixpk= 778, nxpk= 25, iat= 886,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 367, 368, 369,
 &end
#
#   59 TYR  HD1          23 ILE  QD1         3.50    (#    779:25  Preassigned    2.20, 3.29 A)
 &rst
  ixpk= 779, nxpk= 25, iat= 936,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 367, 368, 369,
 &end
#
#   59 TYR  HE1          23 ILE  QD1         3.50    (#    780:25  Preassigned    2.28, 3.13 A)
 &rst
  ixpk= 780, nxpk= 25, iat= 938,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 367, 368, 369,
 &end
#
#   55 THR  HA           23 ILE  QD1         4.50    (#    781:25  Preassigned    2.30, 3.50 A)
 &rst
  ixpk= 781, nxpk= 25, iat= 874,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 367, 368, 369,
 &end
#
#   56 LEU  HA           23 ILE  QD1         3.50    (#    782:25  Preassigned    3.06, 3.55 A)
 &rst
  ixpk= 782, nxpk= 25, iat= 888,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 367, 368, 369,
 &end
#
#   23 ILE  HA           23 ILE  QD1         3.50    (#    783:25  Preassigned    1.92, 2.66 A)
 &rst
  ixpk= 783, nxpk= 25, iat= 356,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 367, 368, 369,
 &end
#
#    0 AMB  25-3:784     23 ILE  QD1         3.50    (#    784:25  Single Ambig)
 &rst
  ixpk= 784, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 358, 932, 933,
 igr2= 367, 368, 369,
 &end
#
#   26 VAL  HB           23 ILE  QD1         4.50    (#    785:25  Preassigned    3.50, 4.50 A)
 &rst
  ixpk= 785, nxpk= 25, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 367, 368, 369,
 &end
#
#   54 ARG  HB+          23 ILE  QD1         4.50    (#    786:25  Preassigned    3.99, 4.67 A)
 &rst
  ixpk= 786, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 852, 853,
 igr2= 367, 368, 369,
 &end
#
#   54 ARG  HB-          23 ILE  QD1         4.50    (#    787:25  Preassigned    3.99, 4.67 A)
 &rst
  ixpk= 787, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 852, 853,
 igr2= 367, 368, 369,
 &end
#
#   23 ILE  HG1+         23 ILE  QD1         3.50    (#    788:25  Preassigned    2.27, 2.62 A)
 &rst
  ixpk= 788, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 364, 365,
 igr2= 367, 368, 369,
 &end
#
#   56 LEU  HG           23 ILE  QD1         3.50    (#    789:25  Preassigned    3.95, 4.47 A)
 &rst
  ixpk= 789, nxpk= 25, iat= 893,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 367, 368, 369,
 &end
#
#   50 LEU  HB+          23 ILE  QD1         3.50    (#    790:25  Preassigned    2.92, 4.15 A)
 &rst
  ixpk= 790, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 799, 800,
 igr2= 367, 368, 369,
 &end
#
#   23 ILE  HG1-         23 ILE  QD1         3.50    (#    791:25  Preassigned    2.27, 2.62 A)
 &rst
  ixpk= 791, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 364, 365,
 igr2= 367, 368, 369,
 &end
#
#   26 VAL  QG+          23 ILE  QD1         3.50    (#    792:25  Preassigned    3.25, 5.35 A)
 &rst
  ixpk= 792, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 408, 409, 410, 412, 413, 414,
 igr2= 367, 368, 369,
 &end
#
#    0 AMB  25-3:793     23 ILE  QD1         2.80    (#    793:25  Single Ambig)
 &rst
  ixpk= 793, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 895, 896, 897, 899, 900, 901, 360, 361, 362, 690,
       691, 692, 694, 695, 696, 690, 691, 692, 694, 695,
       696,
 igr2= 367, 368, 369,
 &end
#
#   61 ILE  QD1          23 ILE  QD1         3.50    (#    794:25  Preassigned    3.59, 4.86 A)
 &rst
  ixpk= 794, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 976, 977, 978,
 igr2= 367, 368, 369,
 &end
#
#   50 LEU  QD-          23 ILE  QD1         4.50    (#    795:25  Preassigned    1.98, 5.10 A)
 &rst
  ixpk= 795, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 804, 805, 806, 808, 809, 810,
 igr2= 367, 368, 369,
 &end
#
#   43 LEU  HN           43 LEU  HB+         4.50    (#    796:25  Preassigned    2.15, 2.80 A)
 &rst
  ixpk= 796, nxpk= 25, iat= 681,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 685, 686,
 &end
#
#   43 LEU  HA           43 LEU  HB+         3.50    (#    797:25  Preassigned    2.80, 2.84 A)
 &rst
  ixpk= 797, nxpk= 25, iat= 683,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 685, 686,
 &end
#
#   67 LEU  HB+          43 LEU  HB+         5.50    (#    798:25  Preassigned    5.35, 6.47 A)
 &rst
  ixpk= 798, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1065,1066,
 igr2= 685, 686,
 &end
#
#    0 AMB  25-3:799      0 AMB  25-1:799    4.50    (#    799:25  Double Ambig)
 &rst
  ixpk= 799, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1=1070,1071,1072,1074,1075,1076,1070,1071,1072,1074,
      1075,1076,
 igr2= 685, 686, 685, 686,
 &end
#
#    0 AMB  25-3:800      0 AMB  25-1:800    3.50    (#    800:25  Double Ambig)
 &rst
  ixpk= 800, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 690, 691, 692, 694, 695, 696, 690, 691, 692, 694,
       695, 696, 360, 361, 362,
 igr2= 685, 686, 685, 686, 685, 686,
 &end
#
#   50 LEU  QD+          43 LEU  HB+         3.50    (#    801:25  Preassigned    1.87, 4.34 A)
 &rst
  ixpk= 801, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 804, 805, 806, 808, 809, 810,
 igr2= 685, 686,
 &end
#
#   69 LEU  HN           69 LEU  HB+         4.50    (#    802:25  Preassigned    2.22, 2.59 A)
 &rst
  ixpk= 802, nxpk= 25, iat=1097,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1101,1102,
 &end
#
#   69 LEU  HA           69 LEU  HB+         3.50    (#    803:25  Unique         2.30, 2.66 A)
 &rst
  ixpk= 803, nxpk= 25, iat=1099,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1101,1102,
 &end
#
#   69 LEU  HG           69 LEU  HB+         3.50    (#    804:25  Preassigned    2.30, 2.44 A)
 &rst
  ixpk= 804, nxpk= 25, iat=1104,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1101,1102,
 &end
#
#   69 LEU  QD+          69 LEU  HB+         3.50    (#    805:25  Unique         2.08, 3.47 A)
 &rst
  ixpk= 805, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1106,1107,1108,1110,1111,1112,
 igr2=1101,1102,
 &end
#
#    0 AMB  25-3:806      0 AMB  25-1:806    3.50    (#    806:25  Double Ambig)
 &rst
  ixpk= 806, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.22, r4= 8.72,
 igr1=1106,1107,1108,1110,1111,1112,  83,  84,  85,  87,
        88,  89,  83,  84,  85,  87,  88,  89, 478, 479,
       480,
 igr2=1101,1102,1101,1102,1101,1102,1101,1102,
 &end
#
#   50 LEU  HA           50 LEU  HB-         4.50    (#    807:25  Preassigned    2.28, 2.65 A)
 &rst
  ixpk= 807, nxpk= 25, iat= 797,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 799, 800,
 &end
#
#    0 AMB  25-3:808     50 LEU  HB-         4.50    (#    808:25  Single Ambig)
 &rst
  ixpk= 808, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 360, 361, 362, 690, 691, 692, 694, 695, 696,
 igr2= 799, 800,
 &end
#
#    0 AMB  25-3:809     50 LEU  HB-         3.50    (#    809:25  Single Ambig)
 &rst
  ixpk= 809, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 804, 805, 806, 808, 809, 810, 367, 368, 369,
 igr2= 799, 800,
 &end
#
#   50 LEU  QD-          50 LEU  HB-         4.50    (#    810:25  Preassigned    2.12, 3.28 A)
 &rst
  ixpk= 810, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 804, 805, 806, 808, 809, 810,
 igr2= 799, 800,
 &end
#
#   61 ILE  QG2          56 LEU  HB-         4.50    (#    811:25  Unique         1.88, 3.74 A)
 &rst
  ixpk= 811, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 969, 970, 971,
 igr2= 890, 891,
 &end
#
#   56 LEU  QD+          56 LEU  HB-         3.50    (#    812:25  Preassigned    2.23, 3.32 A)
 &rst
  ixpk= 812, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 895, 896, 897, 899, 900, 901,
 igr2= 890, 891,
 &end
#
#   56 LEU  QD-          56 LEU  HB-         3.50    (#    813:25  Preassigned    2.23, 3.32 A)
 &rst
  ixpk= 813, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 895, 896, 897, 899, 900, 901,
 igr2= 890, 891,
 &end
#
#   61 ILE  HB           56 LEU  HB-         4.50    (#    814:25  Preassigned    1.99, 2.76 A)
 &rst
  ixpk= 814, nxpk= 25, iat= 967,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 890, 891,
 &end
#
#    0 AMB  25-3:815     56 LEU  HB-         3.50    (#    815:25  Single Ambig)
 &rst
  ixpk= 815, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 313, 888,
 igr2= 890, 891,
 &end
#
#   56 LEU  HN           56 LEU  HB-         4.50    (#    816:25  Preassigned    2.42, 3.07 A)
 &rst
  ixpk= 816, nxpk= 25, iat= 886,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 890, 891,
 &end
#
#   64 GLU  HN            1 MET  HA          5.50    (#    817:25  Preassigned    4.90, 4.96 A)
 &rst
  ixpk= 817, nxpk= 25, iat=1021,   6, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    3 ILE  HN            1 MET  HA          7.00    (#    818:25  Preassigned    6.60, 6.62 A)
 &rst
  ixpk= 818, nxpk= 25, iat=  38,   6, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    2 GLN  HA            1 MET  HA          5.50    (#    819:25  Preassigned    4.51, 4.52 A)
 &rst
  ixpk= 819, nxpk= 25, iat=  23,   6, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   63 LYS  HA            1 MET  HA          5.50    (#    820:25  Preassigned    4.81, 4.86 A)
 &rst
  ixpk= 820, nxpk= 25, iat=1001,   6, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:821      1 MET  HA          5.50    (#    821:25  Single Ambig)
 &rst
  ixpk= 821, nxpk= 25, iat=  -1,   6, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1012,1013,1012,1013,
 &end
#
#    1 MET  HG+           1 MET  HA          4.50    (#    822:25  Preassigned    3.58, 3.64 A)
 &rst
  ixpk= 822, nxpk= 25, iat=  -1,   6, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  11,  12,
 &end
#
#    0 AMB  25-3:823      1 MET  HA          4.50    (#    823:25  Single Ambig)
 &rst
  ixpk= 823, nxpk= 25, iat=  -1,   6, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 264, 265,1028,1029,1028,1029,
 &end
#
#    0 AMB  25-3:824      1 MET  HA          4.50    (#    824:25  Single Ambig)
 &rst
  ixpk= 824, nxpk= 25, iat=  -1,   6, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=  25,  26,  15,  16,  17,
 &end
#
#    0 AMB  25-3:825      1 MET  HA          5.50    (#    825:25  Single Ambig)
 &rst
  ixpk= 825, nxpk= 25, iat=  -1,   6, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1006,1007,1006,1007,
 &end
#
#    3 ILE  QG2           1 MET  HA          7.00    (#    826:25  Preassigned    6.88, 7.94 A)
 &rst
  ixpk= 826, nxpk= 25, iat=  -1,   6, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=  44,  45,  46,
 &end
#
#    3 ILE  QG2           1 MET  HG+         4.50    (#    828:25  Preassigned    3.76, 5.16 A)
 &rst
  ixpk= 828, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  44,  45,  46,
 igr2=  11,  12,
 &end
#
#   17 VAL  QG-           1 MET  HG+         5.50    (#    829:25  Preassigned    3.53, 6.10 A)
 &rst
  ixpk= 829, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 278, 279, 280, 282, 283, 284,
 igr2=  11,  12,
 &end
#
#    3 ILE  HG1+          1 MET  HG+         7.00    (#    830:25  Preassigned    4.31, 5.17 A)
 &rst
  ixpk= 830, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=  48,  49,
 igr2=  11,  12,
 &end
#
#   56 LEU  HB-           1 MET  HG+         5.50    (#    831:25  Unique         6.32, 6.79 A)
 &rst
  ixpk= 831, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 890, 891,
 igr2=  11,  12,
 &end
#
#    0 AMB  25-3:832      0 AMB  25-1:832    5.50    (#    832:25  Double Ambig)
 &rst
  ixpk= 832, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=1006,1007,1006,1007,
 igr2=  11,  12,  11,  12,
 &end
#
#    0 AMB  25-3:833      0 AMB  25-1:833    5.50    (#    833:25  Double Ambig)
 &rst
  ixpk= 833, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=1009,1010,  42, 893,
 igr2=  11,  12,  11,  12,  11,  12,
 &end
#
#    0 AMB  25-3:834      0 AMB  25-1:834    5.50    (#    834:25  Double Ambig)
 &rst
  ixpk= 834, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.00, r4=11.50,
 igr1=  28,  29,1028,1029,1028,1029, 264, 265,
 igr2=  11,  12,  11,  12,  11,  12,  11,  12,
 &end
#
#   19 PRO  HD-           1 MET  HG+         5.50    (#    835:25  Preassigned    2.28, 4.43 A)
 &rst
  ixpk= 835, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 304, 305,
 igr2=  11,  12,
 &end
#
#   63 LYS  HA            1 MET  HG+         4.50    (#    836:25  Preassigned    1.96, 2.93 A)
 &rst
  ixpk= 836, nxpk= 25, iat=1001,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  11,  12,
 &end
#
#    1 MET  HA            1 MET  HG+         4.50    (#    837:25  Preassigned    3.58, 3.64 A)
 &rst
  ixpk= 837, nxpk= 25, iat=   6,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  11,  12,
 &end
#
#   18 GLU  HA            1 MET  HG+         5.50    (#    839:25  Preassigned    2.32, 3.80 A)
 &rst
  ixpk= 839, nxpk= 25, iat= 290,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  11,  12,
 &end
#
#    2 GLN  HA            1 MET  HG+         7.00    (#    840:25  Preassigned    3.31, 3.65 A)
 &rst
  ixpk= 840, nxpk= 25, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=  11,  12,
 &end
#
#    0 AMB  25-3:841      0 AMB  25-1:841    4.50    (#    841:25  Double Ambig)
 &rst
  ixpk= 841, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=  21, 272,
 igr2=  11,  12,  11,  12,
 &end
#
#   64 GLU  HN            1 MET  HG+         5.50    (#    842:25  Preassigned    3.12, 4.24 A)
 &rst
  ixpk= 842, nxpk= 25, iat=1021,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  11,  12,
 &end
#
#   18 GLU  HN           18 GLU  HB+         4.50    (#    843:25  Preassigned    2.41, 3.40 A)
 &rst
  ixpk= 843, nxpk= 25, iat= 288,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 292, 293,
 &end
#
#   21 ASP  HN           18 GLU  HB+         5.50    (#    844:25  Preassigned    2.87, 3.94 A)
 &rst
  ixpk= 844, nxpk= 25, iat= 328,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 292, 293,
 &end
#
#   20 SER  HN           18 GLU  HB+         4.50    (#    845:25  Preassigned    2.16, 3.02 A)
 &rst
  ixpk= 845, nxpk= 25, iat= 317,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 292, 293,
 &end
#
#   18 GLU  HA           18 GLU  HB+         3.50    (#    846:25  Preassigned    2.24, 2.55 A)
 &rst
  ixpk= 846, nxpk= 25, iat= 290,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 292, 293,
 &end
#
#    0 AMB  25-3:847      0 AMB  25-1:847    5.50    (#    847:25  Double Ambig)
 &rst
  ixpk= 847, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 274, 330,
 igr2= 292, 293, 292, 293,
 &end
#
#    0 AMB  25-3:848      0 AMB  25-1:848    5.50    (#    848:25  Double Ambig)
 &rst
  ixpk= 848, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 321, 322, 313,
 igr2= 292, 293, 292, 293,
 &end
#
#   19 PRO  HD-          18 GLU  HB+         4.50    (#    849:25  Preassigned    2.14, 3.37 A)
 &rst
  ixpk= 849, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 304, 305,
 igr2= 292, 293,
 &end
#
#   21 ASP  HB-          18 GLU  HB+         5.50    (#    850:25  Preassigned    3.37, 4.93 A)
 &rst
  ixpk= 850, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 332, 333,
 igr2= 292, 293,
 &end
#
#   18 GLU  HG-          18 GLU  HB+         3.50    (#    851:25  Preassigned    2.29, 2.66 A)
 &rst
  ixpk= 851, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 295, 296,
 igr2= 292, 293,
 &end
#
#   64 GLU  HN            1 MET  QE          5.50    (#    852:25  Preassigned    4.24, 5.30 A)
 &rst
  ixpk= 852, nxpk= 25, iat=1021,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  15,  16,  17,
 &end
#
#    0 AMB  25-3:853      1 MET  QE          4.50    (#    853:25  Single Ambig)
 &rst
  ixpk= 853, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 272,  21,
 igr2=  15,  16,  17,
 &end
#
#   18 GLU  HN            1 MET  QE          5.50    (#    854:25  Preassigned    4.30, 5.33 A)
 &rst
  ixpk= 854, nxpk= 25, iat= 288,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  15,  16,  17,
 &end
#
#   63 LYS  HN            1 MET  QE          3.50    (#    855:25  Unique         1.91, 2.74 A)
 &rst
  ixpk= 855, nxpk= 25, iat= 999,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  15,  16,  17,
 &end
#
#    0 AMB  25-3:856      0 AMB  25-1:856    4.50    (#    856:25  Double Ambig)
 &rst
  ixpk= 856, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 472,  38,
 igr2= 444, 445, 446,  15,  16,  17,
 &end
#
#    0 AMB  25-3:857     28 ALA  QB          4.50    (#    857:25  Single Ambig)
 &rst
  ixpk= 857, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 402, 508,
 igr2= 444, 445, 446,
 &end
#
#   28 ALA  HN           28 ALA  QB          2.80    (#    858:25  Preassigned    2.10, 2.88 A)
 &rst
  ixpk= 858, nxpk= 25, iat= 440,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 444, 445, 446,
 &end
#
#   65 SER  HN            1 MET  QE          5.50    (#    859:25  Preassigned    4.30, 5.47 A)
 &rst
  ixpk= 859, nxpk= 25, iat=1036,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  15,  16,  17,
 &end
#
#   62 GLN  HN            1 MET  QE          5.50    (#    860:25  Preassigned    4.84, 5.83 A)
 &rst
  ixpk= 860, nxpk= 25, iat= 982,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  15,  16,  17,
 &end
#
#   61 ILE  HN            1 MET  QE          5.50    (#    861:25  Preassigned    5.99, 6.85 A)
 &rst
  ixpk= 861, nxpk= 25, iat= 963,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  15,  16,  17,
 &end
#
#   20 SER  HN            1 MET  QE          5.50    (#    862:25  Preassigned    4.51, 5.61 A)
 &rst
  ixpk= 862, nxpk= 25, iat= 317,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  15,  16,  17,
 &end
#
#   41 GLN  HE2-         28 ALA  QB          7.00    (#    863:25  Preassigned    6.03, 6.70 A)
 &rst
  ixpk= 863, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 652, 653,
 igr2= 444, 445, 446,
 &end
#
#    2 GLN  HA            1 MET  QE          7.00    (#    864:25  Preassigned    4.46, 5.58 A)
 &rst
  ixpk= 864, nxpk= 25, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=  15,  16,  17,
 &end
#
#   18 GLU  HA            1 MET  QE          5.50    (#    865:25  Preassigned    3.36, 4.32 A)
 &rst
  ixpk= 865, nxpk= 25, iat= 290,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  15,  16,  17,
 &end
#
#   17 VAL  HA            1 MET  QE          5.50    (#    867:25  Preassigned    5.55, 6.72 A)
 &rst
  ixpk= 867, nxpk= 25, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  15,  16,  17,
 &end
#
#   25 ASN  HA           28 ALA  QB          3.50    (#    868:25  Preassigned    2.91, 3.91 A)
 &rst
  ixpk= 868, nxpk= 25, iat= 390,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 444, 445, 446,
 &end
#
#    0 AMB  25-3:869      0 AMB  25-1:869    2.80    (#    869:25  Double Ambig)
 &rst
  ixpk= 869, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 313, 442,
 igr2=  15,  16,  17, 444, 445, 446,
 &end
#
#   63 LYS  HA            1 MET  QE          4.50    (#    870:25  Unique         2.15, 3.32 A)
 &rst
  ixpk= 870, nxpk= 25, iat=1001,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  15,  16,  17,
 &end
#
#   19 PRO  HD-           1 MET  QE          4.50    (#    871:25  Preassigned    2.89, 4.30 A)
 &rst
  ixpk= 871, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 304, 305,
 igr2=  15,  16,  17,
 &end
#
#    0 AMB  25-3:872      0 AMB  25-1:872    5.50    (#    872:25  Double Ambig)
 &rst
  ixpk= 872, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 965, 404,1023,
 igr2=  15,  16,  17, 444, 445, 446,
 &end
#
#   25 ASN  HB+          28 ALA  QB          5.50    (#    873:25  Preassigned    4.75, 6.02 A)
 &rst
  ixpk= 873, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 392, 393,
 igr2= 444, 445, 446,
 &end
#
#    0 AMB  25-3:874      0 AMB  25-1:874    5.50    (#    874:25  Double Ambig)
 &rst
  ixpk= 874, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 463, 464, 332, 333,
 igr2= 444, 445, 446,  15,  16,  17,
 &end
#
#    0 AMB  25-3:875     28 ALA  QB          5.50    (#    875:25  Single Ambig)
 &rst
  ixpk= 875, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 392, 393, 512, 513,
 igr2= 444, 445, 446,
 &end
#
#   32 ASP  HB-          28 ALA  QB          5.50    (#    876:25  Preassigned    5.32, 6.94 A)
 &rst
  ixpk= 876, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 512, 513,
 igr2= 444, 445, 446,
 &end
#
#    1 MET  HG+           1 MET  QE          3.50    (#    877:25  Preassigned    2.22, 3.26 A)
 &rst
  ixpk= 877, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  11,  12,
 igr2=  15,  16,  17,
 &end
#
#   19 PRO  HG+           1 MET  QE          3.50    (#    878:25  Preassigned    4.00, 5.14 A)
 &rst
  ixpk= 878, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 307, 308,
 igr2=  15,  16,  17,
 &end
#
#   19 PRO  HG-           1 MET  QE          3.50    (#    879:25  Preassigned    4.00, 5.14 A)
 &rst
  ixpk= 879, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 307, 308,
 igr2=  15,  16,  17,
 &end
#
#    1 MET  HG-           1 MET  QE          3.50    (#    880:25  Preassigned    2.22, 3.26 A)
 &rst
  ixpk= 880, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  11,  12,
 igr2=  15,  16,  17,
 &end
#
#    0 AMB  25-3:881      0 AMB  25-1:881    3.50    (#    881:25  Double Ambig)
 &rst
  ixpk= 881, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 457, 458, 893,
 igr2= 444, 445, 446,  15,  16,  17,
 &end
#
#    0 AMB  25-3:882      1 MET  QE          4.50    (#    882:25  Single Ambig)
 &rst
  ixpk= 882, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1006,1007,1006,1007,
 igr2=  15,  16,  17,
 &end
#
#   61 ILE  HB            1 MET  QE          5.50    (#    883:25  Preassigned    4.16, 4.93 A)
 &rst
  ixpk= 883, nxpk= 25, iat= 967,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  15,  16,  17,
 &end
#
#    0 AMB  25-3:884     28 ALA  QB          4.50    (#    884:25  Single Ambig)
 &rst
  ixpk= 884, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 422, 423, 460, 461,
 igr2= 444, 445, 446,
 &end
#
#   56 LEU  HB-           1 MET  QE          4.50    (#    885:25  Preassigned    3.19, 4.00 A)
 &rst
  ixpk= 885, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 890, 891,
 igr2=  15,  16,  17,
 &end
#
#   56 LEU  QD-           1 MET  QE          3.50    (#    887:25  Preassigned    2.01, 4.64 A)
 &rst
  ixpk= 887, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 895, 896, 897, 899, 900, 901,
 igr2=  15,  16,  17,
 &end
#
#    0 AMB  25-3:888      1 MET  QE          3.50    (#    888:25  Single Ambig)
 &rst
  ixpk= 888, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1= 895, 896, 897, 899, 900, 901,  44,  45,  46,
 igr2=  15,  16,  17,
 &end
#
#    0 AMB  25-3:889      1 MET  QE          3.50    (#    889:25  Single Ambig)
 &rst
  ixpk= 889, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1= 969, 970, 971, 278, 279, 280, 282, 283, 284,
 igr2=  15,  16,  17,
 &end
#
#   13 ILE  HN            6 LYS  HA          4.50    (#    890:25  Preassigned    2.92, 3.01 A)
 &rst
  ixpk= 890, nxpk= 25, iat= 205,  95, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:891      0 AMB  25-1:891    5.50    (#    891:25  Double Ambig)
 &rst
  ixpk= 891, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1021,  77,
 igr2=  23,  95,
 &end
#
#    6 LYS  HN            6 LYS  HA          4.50    (#    892:25  Preassigned    2.86, 2.87 A)
 &rst
  ixpk= 892, nxpk= 25, iat=  93,  95, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:893      2 GLN  HA          4.50    (#    893:25  Single Ambig)
 &rst
  ixpk= 893, nxpk= 25, iat=  -1,  23, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 272,  21,
 &end
#
#    7 THR  HN            6 LYS  HA          3.50    (#    894:25  Preassigned    2.14, 2.15 A)
 &rst
  ixpk= 894, nxpk= 25, iat= 115,  95, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:895      0 AMB  25-1:895    4.50    (#    895:25  Double Ambig)
 &rst
  ixpk= 895, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 191, 238,
 igr2=  95,  23,
 &end
#
#    4 PHE  HN            2 GLN  HA          7.00    (#    896:25  Preassigned    6.40, 6.43 A)
 &rst
  ixpk= 896, nxpk= 25, iat=  57,  23, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    3 ILE  HN            2 GLN  HA          3.50    (#    897:25  Preassigned    2.35, 2.39 A)
 &rst
  ixpk= 897, nxpk= 25, iat=  38,  23, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:898      0 AMB  25-1:898    5.50    (#    898:25  Double Ambig)
 &rst
  ixpk= 898, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 257, 162,
 igr2=  23,  95,
 &end
#
#   11 LYS  HN            6 LYS  HA          7.00    (#    899:25  Preassigned    4.40, 4.55 A)
 &rst
  ixpk= 899, nxpk= 25, iat= 169,  95, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   12 THR  HA            6 LYS  HA          3.50    (#    900:25  Preassigned    1.86, 1.91 A)
 &rst
  ixpk= 900, nxpk= 25, iat= 193,  95, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   16 GLU  HA            2 GLN  HA          4.50    (#    901:25  Preassigned    1.86, 1.90 A)
 &rst
  ixpk= 901, nxpk= 25, iat= 259,  23, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:902      0 AMB  25-1:902    4.50    (#    902:25  Double Ambig)
 &rst
  ixpk= 902, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  79, 240,
 igr2=  95,  23,
 &end
#
#    3 ILE  HA            2 GLN  HA          5.50    (#    903:25  Preassigned    4.45, 4.46 A)
 &rst
  ixpk= 903, nxpk= 25, iat=  40,  23, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   63 LYS  HA            2 GLN  HA          7.00    (#    904:25  Preassigned    5.09, 5.16 A)
 &rst
  ixpk= 904, nxpk= 25, iat=1001,  23, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   64 GLU  HA            2 GLN  HA          7.00    (#    905:25  Preassigned    5.87, 5.90 A)
 &rst
  ixpk= 905, nxpk= 25, iat=1023,  23, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  25-3:906      6 LYS  HA          5.50    (#    906:25  Single Ambig)
 &rst
  ixpk= 906, nxpk= 25, iat=  -1,  95, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 106, 107, 106, 107,  61,  62,
 &end
#
#    1 MET  HG+           2 GLN  HA          7.00    (#    907:25  Preassigned    3.31, 3.65 A)
 &rst
  ixpk= 907, nxpk= 25, iat=  -1,  23, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=  11,  12,
 &end
#
#    0 AMB  25-3:908      2 GLN  HA          4.50    (#    908:25  Single Ambig)
 &rst
  ixpk= 908, nxpk= 25, iat=  -1,  23, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 264, 265,  28,  29,
 &end
#
#   16 GLU  HG+           2 GLN  HA          5.50    (#    909:25  Preassigned    3.35, 3.83 A)
 &rst
  ixpk= 909, nxpk= 25, iat=  -1,  23, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 264, 265,
 &end
#
#   17 VAL  QG+           2 GLN  HA          5.50    (#    910:25  Preassigned    3.20, 4.96 A)
 &rst
  ixpk= 910, nxpk= 25, iat=  -1,  23, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 278, 279, 280, 282, 283, 284,
 &end
#
#    0 AMB  25-3:911      0 AMB  25-1:911    3.50    (#    911:25  Double Ambig)
 &rst
  ixpk= 911, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=  25,  26,  97,  98, 179, 180,
 igr2=  23,  95,
 &end
#
#    6 LYS  HG+           6 LYS  HA          4.50    (#    912:25  Preassigned    2.25, 2.63 A)
 &rst
  ixpk= 912, nxpk= 25, iat=  -1,  95, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 100, 101,
 &end
#
#    0 AMB  25-3:913      6 LYS  HA          4.50    (#    913:25  Single Ambig)
 &rst
  ixpk= 913, nxpk= 25, iat=  -1,  95, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 100, 101,  97,  98,
 &end
#
#    0 AMB  25-3:914      6 LYS  HA          4.50    (#    914:25  Single Ambig)
 &rst
  ixpk= 914, nxpk= 25, iat=  -1,  95, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 176, 177, 121, 122, 123,
 &end
#
#    0 AMB  25-3:915      0 AMB  25-1:915    4.50    (#    915:25  Double Ambig)
 &rst
  ixpk= 915, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 197, 198, 199,  48,  49,
 igr2=  95,  23,
 &end
#
#   66 THR  QG2           6 LYS  HA          4.50    (#    916:25  Preassigned    4.94, 5.77 A)
 &rst
  ixpk= 916, nxpk= 25, iat=  -1,  95, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1053,1054,1055,
 &end
#
#    3 ILE  HG1-          2 GLN  HA          4.50    (#    917:25  Preassigned    3.52, 3.64 A)
 &rst
  ixpk= 917, nxpk= 25, iat=  -1,  23, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  48,  49,
 &end
#
#    3 ILE  QG2           2 GLN  HA          4.50    (#    918:25  Preassigned    4.34, 5.30 A)
 &rst
  ixpk= 918, nxpk= 25, iat=  -1,  23, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  44,  45,  46,
 &end
#
#   17 VAL  QG-           2 GLN  HA          4.50    (#    919:25  Preassigned    3.20, 4.96 A)
 &rst
  ixpk= 919, nxpk= 25, iat=  -1,  23, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 278, 279, 280, 282, 283, 284,
 &end
#
#    2 GLN  HB-           2 GLN  HA          3.50    (#    920:25  Unique         2.30, 2.46 A)
 &rst
  ixpk= 920, nxpk= 25, iat=  -1,  23, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  25,  26,
 &end
#
#    1 MET  HG+           2 GLN  HG+         7.00    (#    921:25  Preassigned    5.00, 6.26 A)
 &rst
  ixpk= 921, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=  11,  12,
 igr2=  28,  29,
 &end
#
#   14 THR  HB            2 GLN  HG+         5.50    (#    922:25  Preassigned    4.14, 4.55 A)
 &rst
  ixpk= 922, nxpk= 25, iat= 228,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  28,  29,
 &end
#
#    1 MET  HA            2 GLN  HG+         5.50    (#    923:25  Preassigned    5.74, 5.87 A)
 &rst
  ixpk= 923, nxpk= 25, iat=   6,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  28,  29,
 &end
#
#   16 GLU  HA            2 GLN  HG+         5.50    (#    924:25  Preassigned    4.58, 4.69 A)
 &rst
  ixpk= 924, nxpk= 25, iat= 259,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  28,  29,
 &end
#
#    2 GLN  HE2-          2 GLN  HG+         4.50    (#    925:25  Preassigned    2.36, 3.39 A)
 &rst
  ixpk= 925, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  33,  34,
 igr2=  28,  29,
 &end
#
#    0 AMB  25-3:926      0 AMB  25-1:926    5.50    (#    926:25  Double Ambig)
 &rst
  ixpk= 926, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=  71,  69,
 igr2=  28,  29,  28,  29,
 &end
#
#   65 SER  HN            2 GLN  HG+         4.50    (#    927:25  Preassigned    4.58, 5.51 A)
 &rst
  ixpk= 927, nxpk= 25, iat=1036,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  28,  29,
 &end
#
#    3 ILE  HN            2 GLN  HG+         4.50    (#    928:25  Preassigned    2.90, 3.56 A)
 &rst
  ixpk= 928, nxpk= 25, iat=  38,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  28,  29,
 &end
#
#   14 THR  HN            2 GLN  HG+         7.00    (#    929:25  Preassigned    6.55, 6.74 A)
 &rst
  ixpk= 929, nxpk= 25, iat= 224,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=  28,  29,
 &end
#
#    0 AMB  25-3:930      0 AMB  25-1:930    5.50    (#    930:25  Double Ambig)
 &rst
  ixpk= 930, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 164, 165, 164, 165,
 igr2= 106, 107, 106, 107,
 &end
#
#    0 AMB  25-3:931      0 AMB  25-1:931    5.50    (#    931:25  Double Ambig)
 &rst
  ixpk= 931, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 164, 165, 164, 165,
 igr2= 106, 107, 106, 107,
 &end
#
#   12 THR  HB            0 AMB  25-1:932    7.00    (#    932:25  Single Ambig)
 &rst
  ixpk= 932, nxpk= 25, iat= 195,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr2= 106, 107, 106, 107,
 &end
#
#    7 THR  HN            0 AMB  25-1:933    5.50    (#    933:25  Single Ambig)
 &rst
  ixpk= 933, nxpk= 25, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 106, 107, 106, 107,
 &end
#
#   68 HIS  HE1           0 AMB  25-1:934    7.00    (#    934:25  Single Ambig)
 &rst
  ixpk= 934, nxpk= 25, iat=1089,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr2= 106, 107, 106, 107,
 &end
#
#   68 HIS  HD2           0 AMB  25-1:935    7.00    (#    935:25  Single Ambig)
 &rst
  ixpk= 935, nxpk= 25, iat=1093,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr2= 106, 107, 106, 107,
 &end
#
#    6 LYS  HA            0 AMB  25-1:936    5.50    (#    936:25  Single Ambig)
 &rst
  ixpk= 936, nxpk= 25, iat=  95,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 106, 107, 106, 107,
 &end
#
#   12 THR  HA            0 AMB  25-1:937    5.50    (#    937:25  Single Ambig)
 &rst
  ixpk= 937, nxpk= 25, iat= 193,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 106, 107, 106, 107,
 &end
#
#   10 GLY  HA-           0 AMB  25-1:938    5.50    (#    938:25  Single Ambig)
 &rst
  ixpk= 938, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 164, 165,
 igr2= 106, 107, 106, 107,
 &end
#
#    0 AMB  25-3:939      0 AMB  25-1:939    5.50    (#    939:25  Double Ambig)
 &rst
  ixpk= 939, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 164, 165, 164, 165,
 igr2= 106, 107, 106, 107,
 &end
#
#   17 VAL  QG+          29 LYS  HB+         5.50    (#    940:25  Unique         4.50, 5.86 A)
 &rst
  ixpk= 940, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 278, 279, 280, 282, 283, 284,
 igr2= 454, 455,
 &end
#
#   64 GLU  HN            1 MET  HB+         5.50    (#    941:25  Unique         3.51, 4.44 A)
 &rst
  ixpk= 941, nxpk= 25, iat=1021,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=   8,   9,
 &end
#
#    2 GLN  HN            0 AMB  25-1:942    4.50    (#    942:25  Single Ambig)
 &rst
  ixpk= 942, nxpk= 25, iat=  21,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=   8,   9,   8,   9,
 &end
#
#   17 VAL  HA            0 AMB  25-1:944    7.00    (#    944:25  Single Ambig)
 &rst
  ixpk= 944, nxpk= 25, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr2=   8,   9, 454, 455,
 &end
#
#   19 PRO  HD-           1 MET  HB+         5.50    (#    945:25  Unique         3.24, 4.71 A)
 &rst
  ixpk= 945, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 304, 305,
 igr2=   8,   9,
 &end
#
#    0 AMB  25-3:946     54 ARG  HB-         3.50    (#    946:25  Single Ambig)
 &rst
  ixpk= 946, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 858, 859, 920, 921,
 igr2= 852, 853,
 &end
#
#    0 AMB  25-3:947      0 AMB  25-1:947    4.50    (#    947:25  Double Ambig)
 &rst
  ixpk= 947, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 559, 560, 375,
 igr2= 498, 499, 422, 423,
 &end
#
#    0 AMB  25-3:948      0 AMB  25-1:948    5.50    (#    948:25  Double Ambig)
 &rst
  ixpk= 948, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 613, 831,
 igr2= 604, 605, 852, 853,
 &end
#
#   27 LYS  HA           27 LYS  HB-         4.50    (#    949:25  Preassigned    2.40, 2.74 A)
 &rst
  ixpk= 949, nxpk= 25, iat= 420,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 422, 423,
 &end
#
#   59 TYR  HE1          54 ARG  HB-         4.50    (#    950:25  Preassigned    1.90, 2.12 A)
 &rst
  ixpk= 950, nxpk= 25, iat= 938,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 852, 853,
 &end
#
#   54 ARG  HN           54 ARG  HB-         4.50    (#    951:25  Preassigned    2.34, 2.99 A)
 &rst
  ixpk= 951, nxpk= 25, iat= 848,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 852, 853,
 &end
#
#   55 THR  HN           54 ARG  HB-         4.50    (#    952:25  Preassigned    2.05, 2.76 A)
 &rst
  ixpk= 952, nxpk= 25, iat= 872,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 852, 853,
 &end
#
#    2 GLN  HN            1 MET  HB-         4.50    (#    953:25  Preassigned    2.28, 3.11 A)
 &rst
  ixpk= 953, nxpk= 25, iat=  21,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=   8,   9,
 &end
#
#   64 GLU  HN           63 LYS  HB-         7.00    (#    954:25  Preassigned    2.65, 3.08 A)
 &rst
  ixpk= 954, nxpk= 25, iat=1021,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1003,1004,
 &end
#
#   62 GLN  HA            1 MET  HG+         7.00    (#    955:25  Preassigned    5.79, 6.23 A)
 &rst
  ixpk= 955, nxpk= 25, iat= 984,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=  11,  12,
 &end
#
#   63 LYS  HN            1 MET  HG+         7.00    (#    956:25  Preassigned    3.61, 4.22 A)
 &rst
  ixpk= 956, nxpk= 25, iat= 999,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=  11,  12,
 &end
#
#   17 VAL  QG+          18 GLU  HB+         7.00    (#    957:25  Preassigned    4.63, 7.01 A)
 &rst
  ixpk= 957, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1= 278, 279, 280, 282, 283, 284,
 igr2= 292, 293,
 &end
#
#    0 AMB  25-3:958      0 AMB  25-1:958    5.50    (#    958:25  Double Ambig)
 &rst
  ixpk= 958, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 307, 308, 310, 311,
 igr2= 292, 293, 292, 293,
 &end
#
#   19 PRO  HD+          18 GLU  HB+         4.50    (#    959:25  Preassigned    2.14, 3.37 A)
 &rst
  ixpk= 959, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 304, 305,
 igr2= 292, 293,
 &end
#
#   19 PRO  HB+          18 GLU  HB+         5.50    (#    960:25  Preassigned    5.43, 6.08 A)
 &rst
  ixpk= 960, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 310, 311,
 igr2= 292, 293,
 &end
#
#   13 ILE  HA            6 LYS  HA          7.00    (#    961:25  Preassigned    5.74, 5.83 A)
 &rst
  ixpk= 961, nxpk= 25, iat= 207,  95, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  25-3:962      0 AMB  25-1:962    5.50    (#    962:25  Double Ambig)
 &rst
  ixpk= 962, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.51, r4=12.01,
 igr1=  48,  49,1184,1185,1186,1188,1189,1190,1184,1185,
      1186,1188,1189,1190,
 igr2=  25,  26,1155,1156,1155,1156,
 &end
#
#   40 GLN  HA           40 GLN  HB-         4.50    (#    963:25  Preassigned    2.35, 2.70 A)
 &rst
  ixpk= 963, nxpk= 25, iat= 625,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 627, 628,
 &end
#
#   64 GLU  HN            2 GLN  HB-         7.00    (#    964:25  Preassigned    5.20, 5.42 A)
 &rst
  ixpk= 964, nxpk= 25, iat=1021,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=  25,  26,
 &end
#
#   64 GLU  HN            2 GLN  HB+         5.50    (#    965:25  Preassigned    5.20, 5.42 A)
 &rst
  ixpk= 965, nxpk= 25, iat=1021,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  25,  26,
 &end
#
#    2 GLN  HN            2 GLN  HB+         4.50    (#    966:25  Preassigned    2.99, 3.47 A)
 &rst
  ixpk= 966, nxpk= 25, iat=  21,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  25,  26,
 &end
#
#    3 ILE  HN            2 GLN  HB+         4.50    (#    967:25  Preassigned    2.55, 3.31 A)
 &rst
  ixpk= 967, nxpk= 25, iat=  38,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  25,  26,
 &end
#
#   21 ASP  HN           18 GLU  HB-         5.50    (#    968:25  Preassigned    2.87, 3.94 A)
 &rst
  ixpk= 968, nxpk= 25, iat= 328,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 292, 293,
 &end
#
#   65 SER  HN            2 GLN  HB+         7.00    (#    969:25  Preassigned    6.50, 6.74 A)
 &rst
  ixpk= 969, nxpk= 25, iat=1036,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=  25,  26,
 &end
#
#    0 AMB  25-3:970      0 AMB  25-1:970    5.50    (#    970:25  Double Ambig)
 &rst
  ixpk= 970, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=  71,  69,
 igr2=  25,  26,  25,  26,
 &end
#
#   20 SER  HN           18 GLU  HB-         4.50    (#    971:25  Preassigned    2.16, 3.02 A)
 &rst
  ixpk= 971, nxpk= 25, iat= 317,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 292, 293,
 &end
#
#    2 GLN  HA            2 GLN  HB+         3.50    (#    972:25  Preassigned    2.30, 2.46 A)
 &rst
  ixpk= 972, nxpk= 25, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  25,  26,
 &end
#
#   16 GLU  HA            2 GLN  HB+         5.50    (#    973:25  Preassigned    2.37, 2.61 A)
 &rst
  ixpk= 973, nxpk= 25, iat= 259,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  25,  26,
 &end
#
#   14 THR  QG2           2 GLN  HB+         3.50    (#    974:25  Unique         2.30, 3.76 A)
 &rst
  ixpk= 974, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 230, 231, 232,
 igr2=  25,  26,
 &end
#
#    0 AMB  25-3:975      0 AMB  25-1:975    3.50    (#    975:25  Double Ambig)
 &rst
  ixpk= 975, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 264, 265, 295, 296,  28,  29,
 igr2=  25,  26, 292, 293,  25,  26,
 &end
#
#    0 AMB  25-3:976     27 LYS  HD-         3.50    (#    976:25  Single Ambig)
 &rst
  ixpk= 976, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 422, 423, 425, 426,
 igr2= 428, 429,
 &end
#
#    4 PHE  HD2           2 GLN  HG+         5.50    (#    977:25  Unique         3.71, 4.00 A)
 &rst
  ixpk= 977, nxpk= 25, iat=  73,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  28,  29,
 &end
#
#   45 PHE  HN            0 AMB  25-1:978    5.50    (#    978:25  Single Ambig)
 &rst
  ixpk= 978, nxpk= 25, iat= 719,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 760, 761, 760, 761,
 &end
#
#    0 AMB  25-3:979      0 AMB  25-1:979    5.50    (#    979:25  Double Ambig)
 &rst
  ixpk= 979, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 557,1151, 491,1175,
 igr2= 524, 525,1120,
 &end
#
#    0 AMB  25-3:980      0 AMB  25-1:980    4.50    (#    980:25  Double Ambig)
 &rst
  ixpk= 980, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=  71, 945,
 igr2=  28,  29, 760, 761, 760, 761,
 &end
#
#   13 ILE  QG2          33 LYS  HB-         4.50    (#    981:25  Preassigned    3.71, 4.81 A)
 &rst
  ixpk= 981, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 211, 212, 213,
 igr2= 524, 525,
 &end
#
#   44 ILE  HG1+         70 VAL  HB          7.00    (#    982:25  Unique         1.96, 3.84 A)
 &rst
  ixpk= 982, nxpk= 25, iat=  -1,1120, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 710, 711,
 &end
#
#    0 AMB  25-3:983     33 LYS  HB-         4.50    (#    983:25  Single Ambig)
 &rst
  ixpk= 983, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 533, 534, 533, 534,
 igr2= 524, 525,
 &end
#
#   14 THR  HB            2 GLN  HG-         5.50    (#    984:25  Preassigned    4.14, 4.55 A)
 &rst
  ixpk= 984, nxpk= 25, iat= 228,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  28,  29,
 &end
#
#    2 GLN  HE2-          2 GLN  HG-         5.50    (#    985:25  Preassigned    2.36, 3.39 A)
 &rst
  ixpk= 985, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  33,  34,
 igr2=  28,  29,
 &end
#
#    0 AMB  25-3:986      0 AMB  25-1:986    5.50    (#    986:25  Double Ambig)
 &rst
  ixpk= 986, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 508, 257,
 igr2= 524, 525,  28,  29,
 &end
#
#   13 ILE  QD1          33 LYS  HB-         4.50    (#    987:25  Unique         2.23, 3.21 A)
 &rst
  ixpk= 987, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 218, 219, 220,
 igr2= 524, 525,
 &end
#
#   15 LEU  HG            3 ILE  HB          5.50    (#    988:25  Preassigned    4.34, 4.44 A)
 &rst
  ixpk= 988, nxpk= 25, iat= 245,  42, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:989      3 ILE  HB          5.50    (#    989:25  Single Ambig)
 &rst
  ixpk= 989, nxpk= 25, iat=  -1,  42, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  81,  11,  12,
 &end
#
#    5 VAL  HA            3 ILE  HB          7.00    (#    992:25  Unique         4.76, 4.80 A)
 &rst
  ixpk= 992, nxpk= 25, iat=  79,  42, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   14 THR  HA            3 ILE  HB          7.00    (#    993:25  Preassigned    5.01, 5.08 A)
 &rst
  ixpk= 993, nxpk= 25, iat= 226,  42, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  25-3:994      3 ILE  HB          7.00    (#    994:25  Single Ambig)
 &rst
  ixpk= 994, nxpk= 25, iat=  -1,  42, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1061,  77,
 &end
#
#   17 VAL  QG+           3 ILE  HG1-        4.50    (#    995:25  Preassigned    1.99, 4.09 A)
 &rst
  ixpk= 995, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 278, 279, 280, 282, 283, 284,
 igr2=  48,  49,
 &end
#
#    0 AMB  25-3:996      3 ILE  HG1-        3.50    (#    996:25  Single Ambig)
 &rst
  ixpk= 996, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=  44,  45,  46,  51,  52,  53, 895, 896, 897, 899,
       900, 901,
 igr2=  48,  49,
 &end
#
#   15 LEU  HB-           3 ILE  HG1-        5.50    (#    997:25  Preassigned    4.39, 5.35 A)
 &rst
  ixpk= 997, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 242, 243,
 igr2=  48,  49,
 &end
#
#    0 AMB  25-3:998      3 ILE  HG1-        7.00    (#    998:25  Single Ambig)
 &rst
  ixpk= 998, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.27, r4=10.77,
 igr1=  15,  16,  17,  25,  26,
 igr2=  48,  49,
 &end
#
#    3 ILE  HB            3 ILE  HG1-        4.50    (#    999:25  Preassigned    2.69, 2.83 A)
 &rst
  ixpk= 999, nxpk= 25, iat=  42,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  48,  49,
 &end
#
#   43 LEU  HA           43 LEU  QD+         3.50    (#   1000:25  Preassigned    2.23, 3.67 A)
 &rst
  ixpk= 1000, nxpk= 25, iat= 683,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 690, 691, 692, 694, 695, 696,
 &end
#
#    3 ILE  HN            3 ILE  HG1-        4.50    (#   1001:25  Preassigned    1.88, 2.46 A)
 &rst
  ixpk= 1001, nxpk= 25, iat=  38,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  48,  49,
 &end
#
#   15 LEU  HN            3 ILE  HG1-        7.00    (#   1002:25  Preassigned    2.94, 3.86 A)
 &rst
  ixpk= 1002, nxpk= 25, iat= 238,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=  48,  49,
 &end
#
#   18 GLU  HN            3 ILE  HG1+        5.50    (#   1003:25  Preassigned    5.56, 6.16 A)
 &rst
  ixpk= 1003, nxpk= 25, iat= 288,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  48,  49,
 &end
#
#    3 ILE  HN            3 ILE  HG1+        4.50    (#   1004:25  Preassigned    1.88, 2.46 A)
 &rst
  ixpk= 1004, nxpk= 25, iat=  38,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  48,  49,
 &end
#
#    2 GLN  HA            3 ILE  HG1+        5.50    (#   1005:25  Unique         3.52, 3.64 A)
 &rst
  ixpk= 1005, nxpk= 25, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  48,  49,
 &end
#
#    3 ILE  HA            3 ILE  HG1+        5.50    (#   1006:25  Preassigned    3.50, 3.62 A)
 &rst
  ixpk= 1006, nxpk= 25, iat=  40,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  48,  49,
 &end
#
#    3 ILE  HB            3 ILE  HG1+        5.50    (#   1007:25  Preassigned    2.69, 2.83 A)
 &rst
  ixpk= 1007, nxpk= 25, iat=  42,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  48,  49,
 &end
#
#   15 LEU  HB-           3 ILE  HG1+        4.50    (#   1008:25  Preassigned    4.39, 5.35 A)
 &rst
  ixpk= 1008, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 242, 243,
 igr2=  48,  49,
 &end
#
#    0 AMB  25-3:1009     0 AMB  25-1:1009   3.50    (#   1009:25  Double Ambig)
 &rst
  ixpk= 1009, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=  44,  45,  46,  51,  52,  53, 895, 896, 897, 899,
       900, 901,
 igr2=  48,  49,  48,  49,  48,  49,
 &end
#
#   17 VAL  QG+           3 ILE  HG1+        4.50    (#   1010:25  Preassigned    1.99, 4.09 A)
 &rst
  ixpk= 1010, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 278, 279, 280, 282, 283, 284,
 igr2=  48,  49,
 &end
#
#    0 AMB  25-3:1011     0 AMB  25-1:1011   7.00    (#   1011:25  Double Ambig)
 &rst
  ixpk= 1011, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
 igr1=  77,1061,
 igr2=  48,  49,  48,  49,
 &end
#
#   14 THR  HA            3 ILE  HG1+        7.00    (#   1012:25  Preassigned    4.59, 5.46 A)
 &rst
  ixpk= 1012, nxpk= 25, iat= 226,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=  48,  49,
 &end
#
#    0 AMB  25-3:1013     0 AMB  25-1:1013   7.00    (#   1013:25  Double Ambig)
 &rst
  ixpk= 1013, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
 igr1= 274,  79,
 igr2=  48,  49,  48,  49,
 &end
#
#   15 LEU  HB+           3 ILE  HG1+        4.50    (#   1014:25  Preassigned    4.39, 5.35 A)
 &rst
  ixpk= 1014, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 242, 243,
 igr2=  48,  49,
 &end
#
#    0 AMB  25-3:1015     0 AMB  25-1:1015   5.50    (#   1015:25  Double Ambig)
 &rst
  ixpk= 1015, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
 igr1=  15,  16,  17,  25,  26,
 igr2=  48,  49,  48,  49,
 &end
#
#   64 GLU  HB-           3 ILE  QG2         5.50    (#   1016:25  Preassigned    5.95, 7.06 A)
 &rst
  ixpk= 1016, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1025,1026,
 igr2=  44,  45,  46,
 &end
#
#    4 PHE  HB-           3 ILE  QG2         5.50    (#   1017:25  Preassigned    6.05, 7.28 A)
 &rst
  ixpk= 1017, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  61,  62,
 igr2=  44,  45,  46,
 &end
#
#   19 PRO  HD-           3 ILE  QG2         5.50    (#   1018:25  Preassigned    6.34, 7.97 A)
 &rst
  ixpk= 1018, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 304, 305,
 igr2=  44,  45,  46,
 &end
#
#   62 GLN  HA            3 ILE  QG2         5.50    (#   1019:25  Preassigned    6.25, 6.50 A)
 &rst
  ixpk= 1019, nxpk= 25, iat= 984,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  44,  45,  46,
 &end
#
#   65 SER  HA            3 ILE  QG2         5.50    (#   1020:25  Preassigned    3.86, 4.84 A)
 &rst
  ixpk= 1020, nxpk= 25, iat=1038,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  44,  45,  46,
 &end
#
#    5 VAL  HA            3 ILE  QG2         7.00    (#   1021:25  Unique         6.31, 7.09 A)
 &rst
  ixpk= 1021, nxpk= 25, iat=  79,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=  44,  45,  46,
 &end
#
#   16 GLU  HA            3 ILE  QG2         5.50    (#   1022:25  Preassigned    6.15, 7.03 A)
 &rst
  ixpk= 1022, nxpk= 25, iat= 259,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  44,  45,  46,
 &end
#
#   18 GLU  HA            3 ILE  QG2         7.00    (#   1023:25  Preassigned    6.45, 7.54 A)
 &rst
  ixpk= 1023, nxpk= 25, iat= 290,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=  44,  45,  46,
 &end
#
#    4 PHE  HA            3 ILE  QG2         7.00    (#   1024:25  Preassigned    5.96, 6.44 A)
 &rst
  ixpk= 1024, nxpk= 25, iat=  59,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=  44,  45,  46,
 &end
#
#    4 PHE  HD1           3 ILE  QG2         5.50    (#   1025:25  Preassigned    5.77, 6.73 A)
 &rst
  ixpk= 1025, nxpk= 25, iat=  65,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  44,  45,  46,
 &end
#
#   62 GLN  HN            3 ILE  QG2         5.50    (#   1026:25  Preassigned    5.94, 6.19 A)
 &rst
  ixpk= 1026, nxpk= 25, iat= 982,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  44,  45,  46,
 &end
#
#   63 LYS  HN            3 ILE  QG2         5.50    (#   1027:25  Preassigned    4.22, 4.67 A)
 &rst
  ixpk= 1027, nxpk= 25, iat= 999,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  44,  45,  46,
 &end
#
#    0 AMB  25-3:1028     3 ILE  QG2         5.50    (#   1028:25  Single Ambig)
 &rst
  ixpk= 1028, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1047, 238,
 igr2=  44,  45,  46,
 &end
#
#    4 PHE  HB+           3 ILE  QG2         7.00    (#   1029:25  Preassigned    6.05, 7.28 A)
 &rst
  ixpk= 1029, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=  61,  62,
 igr2=  44,  45,  46,
 &end
#
#    3 ILE  HG1-          3 ILE  QD1         2.80    (#   1030:25  Preassigned    2.33, 2.62 A)
 &rst
  ixpk= 1030, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=  48,  49,
 igr2=  51,  52,  53,
 &end
#
#   56 LEU  HB+           3 ILE  QD1         4.50    (#   1031:25  Preassigned    4.96, 6.53 A)
 &rst
  ixpk= 1031, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 890, 891,
 igr2=  51,  52,  53,
 &end
#
#    1 MET  HG+           3 ILE  QD1         5.50    (#   1032:25  Preassigned    6.47, 7.09 A)
 &rst
  ixpk= 1032, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  11,  12,
 igr2=  51,  52,  53,
 &end
#
#   21 ASP  HB-           3 ILE  QD1         5.50    (#   1034:25  Preassigned    6.33, 7.47 A)
 &rst
  ixpk= 1034, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 332, 333,
 igr2=  51,  52,  53,
 &end
#
#   26 VAL  HA            3 ILE  QD1         5.50    (#   1035:25  Unique         4.49, 5.29 A)
 &rst
  ixpk= 1035, nxpk= 25, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  51,  52,  53,
 &end
#
#   65 SER  HB-           3 ILE  QD1         5.50    (#   1036:25  Preassigned    5.11, 5.99 A)
 &rst
  ixpk= 1036, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1040,1041,
 igr2=  51,  52,  53,
 &end
#
#    0 AMB  25-3:1037     3 ILE  QD1         4.50    (#   1037:25  Single Ambig)
 &rst
  ixpk= 1037, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  79, 240,
 igr2=  51,  52,  53,
 &end
#
#    0 AMB  25-3:1038     3 ILE  QD1         5.50    (#   1038:25  Single Ambig)
 &rst
  ixpk= 1038, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 226, 259,
 igr2=  51,  52,  53,
 &end
#
#   67 LEU  HA            3 ILE  QD1         7.00    (#   1039:25  Preassigned    6.36, 7.09 A)
 &rst
  ixpk= 1039, nxpk= 25, iat=1063,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=  51,  52,  53,
 &end
#
#    4 PHE  HA            3 ILE  QD1         5.50    (#   1040:25  Preassigned    5.25, 6.30 A)
 &rst
  ixpk= 1040, nxpk= 25, iat=  59,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  51,  52,  53,
 &end
#
#   65 SER  HN            3 ILE  QD1         5.50    (#   1042:25  Preassigned    5.91, 6.34 A)
 &rst
  ixpk= 1042, nxpk= 25, iat=1036,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  51,  52,  53,
 &end
#
#    0 AMB  25-3:1043     3 ILE  QD1         5.50    (#   1043:25  Single Ambig)
 &rst
  ixpk= 1043, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 257, 402,
 igr2=  51,  52,  53,
 &end
#
#   17 VAL  HN            3 ILE  QD1         5.50    (#   1044:25  Preassigned    5.25, 6.00 A)
 &rst
  ixpk= 1044, nxpk= 25, iat= 272,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  51,  52,  53,
 &end
#
#    0 AMB  25-3:1045     3 ILE  QD1         4.50    (#   1045:25  Single Ambig)
 &rst
  ixpk= 1045, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  77,1061,
 igr2=  51,  52,  53,
 &end
#
#    0 AMB  25-3:1046     3 ILE  QD1         5.50    (#   1046:25  Single Ambig)
 &rst
  ixpk= 1046, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1040,1041,1001,
 igr2=  51,  52,  53,
 &end
#
#    0 AMB  25-3:1047     4 PHE  HA          5.50    (#   1047:25  Single Ambig)
 &rst
  ixpk= 1047, nxpk= 25, iat=  -1,  59, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  51,  52,  53,  44,  45,  46,
 &end
#
#    0 AMB  25-3:1048     4 PHE  HA          4.50    (#   1048:25  Single Ambig)
 &rst
  ixpk= 1048, nxpk= 25, iat=  -1,  59, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=  83,  84,  85,  87,  88,  89,  83,  84,  85,  87,
        88,  89, 247, 248, 249, 251, 252, 253, 247, 248,
       249, 251, 252, 253,
 &end
#
#   66 THR  QG2           4 PHE  HA          5.50    (#   1049:25  Preassigned    5.31, 6.42 A)
 &rst
  ixpk= 1049, nxpk= 25, iat=  -1,  59, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1053,1054,1055,
 &end
#
#   12 THR  QG2           4 PHE  HA          4.50    (#   1050:25  Unique         3.19, 3.99 A)
 &rst
  ixpk= 1050, nxpk= 25, iat=  -1,  59, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 197, 198, 199,
 &end
#
#    0 AMB  25-3:1051     4 PHE  HA          7.00    (#   1051:25  Single Ambig)
 &rst
  ixpk= 1051, nxpk= 25, iat=  -1,  59, r1= 1.30, r2= 1.80, r3= 9.68, r4=10.18,
 igr1= 242, 243, 245,  97,  98, 100, 101,
 &end
#
#   67 LEU  HB-           4 PHE  HA          7.00    (#   1052:25  Preassigned    5.73, 6.10 A)
 &rst
  ixpk= 1052, nxpk= 25, iat=  -1,  59, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1065,1066,
 &end
#
#    3 ILE  HB            4 PHE  HA          5.50    (#   1053:25  Preassigned    4.37, 4.43 A)
 &rst
  ixpk= 1053, nxpk= 25, iat=  42,  59, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 ILE  HB            4 PHE  HA          7.00    (#   1054:25  Unique         6.59, 6.67 A)
 &rst
  ixpk= 1054, nxpk= 25, iat= 209,  59, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    5 VAL  HB            4 PHE  HA          5.50    (#   1055:25  Preassigned    4.79, 4.90 A)
 &rst
  ixpk= 1055, nxpk= 25, iat=  81,  59, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    4 PHE  HB+           4 PHE  HA          3.50    (#   1056:25  Preassigned    2.31, 2.65 A)
 &rst
  ixpk= 1056, nxpk= 25, iat=  -1,  59, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  61,  62,
 &end
#
#    4 PHE  HB-           4 PHE  HA          3.50    (#   1057:25  Preassigned    2.31, 2.65 A)
 &rst
  ixpk= 1057, nxpk= 25, iat=  -1,  59, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  61,  62,
 &end
#
#   14 THR  HB            4 PHE  HA          5.50    (#   1058:25  Preassigned    4.49, 4.55 A)
 &rst
  ixpk= 1058, nxpk= 25, iat= 228,  59, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:1059     4 PHE  HA          5.50    (#   1059:25  Single Ambig)
 &rst
  ixpk= 1059, nxpk= 25, iat=  -1,  59, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  79, 240,
 &end
#
#   14 THR  HA            4 PHE  HA          4.50    (#   1060:25  Preassigned    2.07, 2.12 A)
 &rst
  ixpk= 1060, nxpk= 25, iat= 226,  59, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    4 PHE  HD2           4 PHE  HA          3.50    (#   1061:25  Preassigned    2.51, 2.57 A)
 &rst
  ixpk= 1061, nxpk= 25, iat=  73,  59, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:1062     4 PHE  HA          4.50    (#   1062:25  Single Ambig)
 &rst
  ixpk= 1062, nxpk= 25, iat=  -1,  59, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  71,  67,  69,
 &end
#
#    4 PHE  HN            4 PHE  HA          4.50    (#   1063:25  Preassigned    2.92, 2.93 A)
 &rst
  ixpk= 1063, nxpk= 25, iat=  57,  59, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 LEU  HN            4 PHE  HA          4.50    (#   1064:25  Preassigned    3.70, 3.74 A)
 &rst
  ixpk= 1064, nxpk= 25, iat= 238,  59, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    6 LYS  HN            4 PHE  HA          7.00    (#   1065:25  Preassigned    5.06, 5.10 A)
 &rst
  ixpk= 1065, nxpk= 25, iat=  93,  59, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    5 VAL  HN            4 PHE  HA          3.50    (#   1066:25  Preassigned    2.18, 2.19 A)
 &rst
  ixpk= 1066, nxpk= 25, iat=  77,  59, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   13 ILE  HN            4 PHE  HA          5.50    (#   1067:25  Preassigned    4.50, 4.58 A)
 &rst
  ixpk= 1067, nxpk= 25, iat= 205,  59, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   66 THR  QG2           4 PHE  HB-         4.50    (#   1068:25  Preassigned    2.76, 4.52 A)
 &rst
  ixpk= 1068, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1053,1054,1055,
 igr2=  61,  62,
 &end
#
#   12 THR  QG2           4 PHE  HB-         4.50    (#   1069:25  Preassigned    2.07, 2.99 A)
 &rst
  ixpk= 1069, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 197, 198, 199,
 igr2=  61,  62,
 &end
#
#   64 GLU  HA            4 PHE  HB-         7.00    (#   1071:25  Preassigned    5.79, 6.08 A)
 &rst
  ixpk= 1071, nxpk= 25, iat=1023,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=  61,  62,
 &end
#
#    3 ILE  HA            4 PHE  HB-         5.50    (#   1072:25  Preassigned    4.97, 5.28 A)
 &rst
  ixpk= 1072, nxpk= 25, iat=  40,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  61,  62,
 &end
#
#    0 AMB  25-3:1073     4 PHE  HB-         7.00    (#   1073:25  Single Ambig)
 &rst
  ixpk= 1073, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 193,1063,
 igr2=  61,  62,
 &end
#
#   66 THR  HA            4 PHE  HB-         4.50    (#   1074:25  Preassigned    2.05, 3.05 A)
 &rst
  ixpk= 1074, nxpk= 25, iat=1049,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  61,  62,
 &end
#
#    4 PHE  HA            4 PHE  HB-         4.50    (#   1075:25  Preassigned    2.31, 2.65 A)
 &rst
  ixpk= 1075, nxpk= 25, iat=  59,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  61,  62,
 &end
#
#    0 AMB  25-3:1076     4 PHE  HB-         3.50    (#   1076:25  Single Ambig)
 &rst
  ixpk= 1076, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  65,  73,
 igr2=  61,  62,
 &end
#
#    0 AMB  25-3:1077     4 PHE  HB-         4.50    (#   1077:25  Single Ambig)
 &rst
  ixpk= 1077, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  67,  71,  69,
 igr2=  61,  62,
 &end
#
#    4 PHE  HN            4 PHE  HB-         4.50    (#   1078:25  Preassigned    2.81, 3.26 A)
 &rst
  ixpk= 1078, nxpk= 25, iat=  57,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  61,  62,
 &end
#
#    0 AMB  25-3:1079     4 PHE  HB-         7.00    (#   1079:25  Single Ambig)
 &rst
  ixpk= 1079, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1047, 238,
 igr2=  61,  62,
 &end
#
#    0 AMB  25-3:1080     4 PHE  HB-         4.50    (#   1080:25  Single Ambig)
 &rst
  ixpk= 1080, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1061,  77,
 igr2=  61,  62,
 &end
#
#   17 VAL  QG+          21 ASP  HB-         5.50    (#   1081:25  Preassigned    4.15, 5.42 A)
 &rst
  ixpk= 1081, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 278, 279, 280, 282, 283, 284,
 igr2= 332, 333,
 &end
#
#   56 LEU  QD+          21 ASP  HB-         4.50    (#   1082:25  Preassigned    3.12, 5.36 A)
 &rst
  ixpk= 1082, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 895, 896, 897, 899, 900, 901,
 igr2= 332, 333,
 &end
#
#   56 LEU  QD-          21 ASP  HB-         3.50    (#   1083:25  Preassigned    3.12, 5.36 A)
 &rst
  ixpk= 1083, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 895, 896, 897, 899, 900, 901,
 igr2= 332, 333,
 &end
#
#   26 VAL  QG+          21 ASP  HB-         4.50    (#   1084:25  Preassigned    2.89, 5.66 A)
 &rst
  ixpk= 1084, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 408, 409, 410, 412, 413, 414,
 igr2= 332, 333,
 &end
#
#   56 LEU  HG           21 ASP  HB-         4.50    (#   1085:25  Preassigned    2.92, 3.75 A)
 &rst
  ixpk= 1085, nxpk= 25, iat= 893,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 332, 333,
 &end
#
#    0 AMB  25-3:1086    21 ASP  HB-         4.50    (#   1086:25  Single Ambig)
 &rst
  ixpk= 1086, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 292, 293, 890, 891,
 igr2= 332, 333,
 &end
#
#   17 VAL  HB           21 ASP  HB-         3.50    (#   1087:25  Preassigned    3.31, 3.75 A)
 &rst
  ixpk= 1087, nxpk= 25, iat= 276,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 332, 333,
 &end
#
#   25 ASN  HB+          21 ASP  HB-         5.50    (#   1088:25  Preassigned    3.30, 4.97 A)
 &rst
  ixpk= 1088, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 392, 393,
 igr2= 332, 333,
 &end
#
#   21 ASP  HA           21 ASP  HB-         3.50    (#   1089:25  Preassigned    2.34, 2.74 A)
 &rst
  ixpk= 1089, nxpk= 25, iat= 330,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 332, 333,
 &end
#
#   20 SER  HN           21 ASP  HB-         5.50    (#   1090:25  Preassigned    3.83, 4.74 A)
 &rst
  ixpk= 1090, nxpk= 25, iat= 317,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 332, 333,
 &end
#
#   22 THR  HN           21 ASP  HB-         4.50    (#   1091:25  Preassigned    2.99, 3.80 A)
 &rst
  ixpk= 1091, nxpk= 25, iat= 340,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 332, 333,
 &end
#
#   18 GLU  HN           21 ASP  HB-         4.50    (#   1092:25  Preassigned    2.55, 3.37 A)
 &rst
  ixpk= 1092, nxpk= 25, iat= 288,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 332, 333,
 &end
#
#   56 LEU  HN           21 ASP  HB-         7.00    (#   1093:25  Preassigned    4.22, 4.84 A)
 &rst
  ixpk= 1093, nxpk= 25, iat= 886,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 332, 333,
 &end
#
#   18 GLU  HA           21 ASP  HB-         7.00    (#   1094:25  Preassigned    4.52, 5.57 A)
 &rst
  ixpk= 1094, nxpk= 25, iat= 290,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 332, 333,
 &end
#
#   22 THR  HB           21 ASP  HB-         7.00    (#   1095:25  Preassigned    6.05, 6.77 A)
 &rst
  ixpk= 1095, nxpk= 25, iat= 344,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 332, 333,
 &end
#
#    0 AMB  25-3:1096    21 ASP  HB-         7.00    (#   1096:25  Single Ambig)
 &rst
  ixpk= 1096, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 876, 390,
 igr2= 332, 333,
 &end
#
#   26 VAL  HA           21 ASP  HB-         7.00    (#   1097:25  Preassigned    4.97, 5.69 A)
 &rst
  ixpk= 1097, nxpk= 25, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 332, 333,
 &end
#
#   56 LEU  HB-          21 ASP  HB-         5.50    (#   1098:25  Preassigned    4.49, 5.82 A)
 &rst
  ixpk= 1098, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 890, 891,
 igr2= 332, 333,
 &end
#
#    0 AMB  25-3:1099     0 AMB  25-1:1099   4.50    (#   1099:25  Double Ambig)
 &rst
  ixpk= 1099, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1=  83,  84,  85,  87,  88,  89,  83,  84,  85,  87,
        88,  89,
 igr2=  61,  62,  61,  62,
 &end
#
#   66 THR  QG2           4 PHE  HB+         3.50    (#   1100:25  Preassigned    2.76, 4.52 A)
 &rst
  ixpk= 1100, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1053,1054,1055,
 igr2=  61,  62,
 &end
#
#    0 AMB  25-3:1101     0 AMB  25-1:1101   4.50    (#   1101:25  Double Ambig)
 &rst
  ixpk= 1101, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 495, 496, 454, 455, 524, 525,
 igr2= 512, 513, 512, 513, 512, 513,
 &end
#
#    0 AMB  25-3:1102     0 AMB  25-1:1102   4.50    (#   1102:25  Double Ambig)
 &rst
  ixpk= 1102, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 530, 531, 530, 531,  42,
 igr2= 512, 513, 512, 513,  61,  62,
 &end
#
#    0 AMB  25-3:1103     0 AMB  25-1:1103   4.50    (#   1103:25  Double Ambig)
 &rst
  ixpk= 1103, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 527, 528, 527, 528,  97,  98,
 igr2= 512, 513, 512, 513,  61,  62,
 &end
#
#    0 AMB  25-3:1104     0 AMB  25-1:1104   5.50    (#   1104:25  Double Ambig)
 &rst
  ixpk= 1104, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 498, 499,  28,  29,
 igr2= 512, 513,  61,  62,
 &end
#
#   31 GLN  HB+          32 ASP  HB+         5.50    (#   1105:25  Preassigned    4.02, 5.62 A)
 &rst
  ixpk= 1105, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 495, 496,
 igr2= 512, 513,
 &end
#
#   66 THR  HA            4 PHE  HB+         4.50    (#   1106:25  Preassigned    2.05, 3.05 A)
 &rst
  ixpk= 1106, nxpk= 25, iat=1049,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  61,  62,
 &end
#
#    4 PHE  HA            4 PHE  HB+         3.50    (#   1107:25  Preassigned    2.31, 2.65 A)
 &rst
  ixpk= 1107, nxpk= 25, iat=  59,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  61,  62,
 &end
#
#    0 AMB  25-3:1108     0 AMB  25-1:1108   5.50    (#   1108:25  Double Ambig)
 &rst
  ixpk= 1108, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=  67,  71,  69,
 igr2=  61,  62,  61,  62,  61,  62,
 &end
#
#   29 LYS  HN           32 ASP  HB+         5.50    (#   1109:25  Preassigned    5.32, 6.03 A)
 &rst
  ixpk= 1109, nxpk= 25, iat= 450,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 512, 513,
 &end
#
#    0 AMB  25-3:1110     0 AMB  25-1:1110   5.50    (#   1110:25  Double Ambig)
 &rst
  ixpk= 1110, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 472,  38,
 igr2= 512, 513,  61,  62,
 &end
#
#    4 PHE  HN            4 PHE  HB+         4.50    (#   1111:25  Preassigned    2.81, 3.26 A)
 &rst
  ixpk= 1111, nxpk= 25, iat=  57,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  61,  62,
 &end
#
#    0 AMB  25-3:1112     0 AMB  25-1:1112   4.50    (#   1112:25  Double Ambig)
 &rst
  ixpk= 1112, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1047, 542, 238,
 igr2=  61,  62, 512, 513,  61,  62,
 &end
#
#    0 AMB  25-3:1113     0 AMB  25-1:1113   4.50    (#   1113:25  Double Ambig)
 &rst
  ixpk= 1113, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1061,  77,
 igr2=  61,  62,  61,  62,
 &end
#
#   34 GLU  HN           32 ASP  HB-         5.50    (#   1114:25  Preassigned    5.23, 5.34 A)
 &rst
  ixpk= 1114, nxpk= 25, iat= 542,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 512, 513,
 &end
#
#    0 AMB  25-3:1115    32 ASP  HB-         5.50    (#   1115:25  Single Ambig)
 &rst
  ixpk= 1115, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 491, 557,
 igr2= 512, 513,
 &end
#
#   29 LYS  HN           32 ASP  HB-         5.50    (#   1116:25  Preassigned    5.32, 6.03 A)
 &rst
  ixpk= 1116, nxpk= 25, iat= 450,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 512, 513,
 &end
#
#   31 GLN  HB+          32 ASP  HB-         5.50    (#   1117:25  Preassigned    4.02, 5.62 A)
 &rst
  ixpk= 1117, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 495, 496,
 igr2= 512, 513,
 &end
#
#   31 GLN  HG-          32 ASP  HB-         5.50    (#   1119:25  Preassigned    5.45, 6.61 A)
 &rst
  ixpk= 1119, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 498, 499,
 igr2= 512, 513,
 &end
#
#   29 LYS  HB+          32 ASP  HB-         5.50    (#   1120:25  Preassigned    4.92, 5.66 A)
 &rst
  ixpk= 1120, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 454, 455,
 igr2= 512, 513,
 &end
#
#    0 AMB  25-3:1121    32 ASP  HB-         4.50    (#   1121:25  Single Ambig)
 &rst
  ixpk= 1121, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 495, 496, 454, 455, 524, 525,
 igr2= 512, 513,
 &end
#
#   33 LYS  HB-          32 ASP  HB-         5.50    (#   1122:25  Preassigned    5.19, 5.81 A)
 &rst
  ixpk= 1122, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 524, 525,
 igr2= 512, 513,
 &end
#
#    0 AMB  25-3:1123    32 ASP  HB-         5.50    (#   1123:25  Single Ambig)
 &rst
  ixpk= 1123, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 530, 531, 530, 531,
 igr2= 512, 513,
 &end
#
#    0 AMB  25-3:1124    32 ASP  HB-         4.50    (#   1124:25  Single Ambig)
 &rst
  ixpk= 1124, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 527, 528, 527, 528,
 igr2= 512, 513,
 &end
#
#   13 ILE  QD1          32 ASP  HB-         5.50    (#   1125:25  Unique         6.79, 7.81 A)
 &rst
  ixpk= 1125, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 218, 219, 220,
 igr2= 512, 513,
 &end
#
#   30 ILE  HN           32 ASP  HB-         5.50    (#   1126:25  Preassigned    5.43, 5.97 A)
 &rst
  ixpk= 1126, nxpk= 25, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 512, 513,
 &end
#
#   31 GLN  HA           32 ASP  HB-         7.00    (#   1128:25  Preassigned    5.52, 5.96 A)
 &rst
  ixpk= 1128, nxpk= 25, iat= 493,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 512, 513,
 &end
#
#   30 ILE  HA           32 ASP  HB-         5.50    (#   1129:25  Preassigned    5.64, 5.87 A)
 &rst
  ixpk= 1129, nxpk= 25, iat= 474,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 512, 513,
 &end
#
#   29 LYS  HD-          32 ASP  HB-         7.00    (#   1130:25  Preassigned    5.39, 6.45 A)
 &rst
  ixpk= 1130, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 460, 461,
 igr2= 512, 513,
 &end
#
#    0 AMB  25-3:1131     5 VAL  HA          3.50    (#   1131:25  Single Ambig)
 &rst
  ixpk= 1131, nxpk= 25, iat=  -1,  79, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=  83,  84,  85,  87,  88,  89,  83,  84,  85,  87,
        88,  89,
 &end
#
#   67 LEU  HB-           5 VAL  HA          4.50    (#   1132:25  Preassigned    2.35, 2.70 A)
 &rst
  ixpk= 1132, nxpk= 25, iat=  -1,  79, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1065,1066,
 &end
#
#    6 LYS  HN            5 VAL  HA          3.50    (#   1133:25  Preassigned    2.23, 2.24 A)
 &rst
  ixpk= 1133, nxpk= 25, iat=  93,  79, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:1134     5 VAL  HA          4.50    (#   1134:25  Single Ambig)
 &rst
  ixpk= 1134, nxpk= 25, iat=  -1,  79, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1061,  77,
 &end
#
#    8 LEU  QD-          70 VAL  HB          5.50    (#   1135:25  Preassigned    3.34, 6.38 A)
 &rst
  ixpk= 1135, nxpk= 25, iat=  -1,1120, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#   42 ARG  HD+          70 VAL  HB          5.50    (#   1136:25  Preassigned    3.96, 5.39 A)
 &rst
  ixpk= 1136, nxpk= 25, iat=  -1,1120, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 667, 668,
 &end
#
#   70 VAL  HA           70 VAL  HB          4.50    (#   1137:25  Preassigned    2.46, 2.91 A)
 &rst
  ixpk= 1137, nxpk= 25, iat=1118,1120, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   42 ARG  HN           70 VAL  HB          5.50    (#   1138:25  Preassigned    3.28, 3.71 A)
 &rst
  ixpk= 1138, nxpk= 25, iat= 657,1120, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   71 LEU  HN           70 VAL  HB          4.50    (#   1139:25  Preassigned    2.12, 3.32 A)
 &rst
  ixpk= 1139, nxpk= 25, iat=1132,1120, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   42 ARG  HA           70 VAL  HB          7.00    (#   1140:25  Preassigned    4.00, 4.73 A)
 &rst
  ixpk= 1140, nxpk= 25, iat= 659,1120, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   13 ILE  HN            5 VAL  HB          4.50    (#   1141:25  Preassigned    3.55, 3.60 A)
 &rst
  ixpk= 1141, nxpk= 25, iat= 205,  81, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    5 VAL  HN            5 VAL  HB          3.50    (#   1142:25  Preassigned    2.60, 2.72 A)
 &rst
  ixpk= 1142, nxpk= 25, iat=  77,  81, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   29 LYS  HN           29 LYS  HB-         4.50    (#   1143:25  Preassigned    2.73, 3.16 A)
 &rst
  ixpk= 1143, nxpk= 25, iat= 450,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 454, 455,
 &end
#
#    5 VAL  HA            5 VAL  HB          4.50    (#   1144:25  Preassigned    2.99, 3.01 A)
 &rst
  ixpk= 1144, nxpk= 25, iat=  79,  81, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:1145     5 VAL  HB          5.50    (#   1145:25  Single Ambig)
 &rst
  ixpk= 1145, nxpk= 25, iat=  -1,  81, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1= 121, 122, 123, 242, 243, 176, 177,
 &end
#
#   13 ILE  QG2           5 VAL  HB          3.50    (#   1146:25  Preassigned    1.78, 2.74 A)
 &rst
  ixpk= 1146, nxpk= 25, iat=  -1,  81, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 211, 212, 213,
 &end
#
#   29 LYS  HD-          29 LYS  HB-         3.50    (#   1147:25  Preassigned    2.19, 2.94 A)
 &rst
  ixpk= 1147, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 460, 461,
 igr2= 454, 455,
 &end
#
#   30 ILE  HA            5 VAL  HB          7.00    (#   1148:25  Preassigned    5.06, 5.14 A)
 &rst
  ixpk= 1148, nxpk= 25, iat= 474,  81, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   14 THR  HA            5 VAL  HB          7.00    (#   1149:25  Preassigned    4.84, 5.08 A)
 &rst
  ixpk= 1149, nxpk= 25, iat= 226,  81, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   12 THR  HA            5 VAL  HB          5.50    (#   1150:25  Preassigned    5.19, 5.24 A)
 &rst
  ixpk= 1150, nxpk= 25, iat= 193,  81, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:1151     5 VAL  HB          7.00    (#   1151:25  Single Ambig)
 &rst
  ixpk= 1151, nxpk= 25, iat=  -1,  81, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=  95,1049,
 &end
#
#    4 PHE  HA            5 VAL  HB          5.50    (#   1152:25  Preassigned    4.79, 4.90 A)
 &rst
  ixpk= 1152, nxpk= 25, iat=  59,  81, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    4 PHE  HB+           5 VAL  QG-         5.50    (#   1153:25  Preassigned    5.54, 7.12 A)
 &rst
  ixpk= 1153, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  61,  62,
 igr2=  83,  84,  85,  87,  88,  89,
 &end
#
#    4 PHE  HB-           5 VAL  QG-         5.50    (#   1154:25  Preassigned    5.54, 7.12 A)
 &rst
  ixpk= 1154, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  61,  62,
 igr2=  83,  84,  85,  87,  88,  89,
 &end
#
#   27 LYS  HA            5 VAL  QG-         5.50    (#   1155:25  Preassigned    5.98, 6.96 A)
 &rst
  ixpk= 1155, nxpk= 25, iat= 420,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=  83,  84,  85,  87,  88,  89,
 &end
#
#    0 AMB  25-3:1156     5 VAL  QG-         4.50    (#   1156:25  Single Ambig)
 &rst
  ixpk= 1156, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1063, 193,
 igr2=  83,  84,  85,  87,  88,  89,
 &end
#
#    0 AMB  25-3:1157     5 VAL  QG-         5.50    (#   1157:25  Single Ambig)
 &rst
  ixpk= 1157, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 115, 224,
 igr2=  83,  84,  85,  87,  88,  89,
 &end
#
#   13 ILE  HN            5 VAL  QG-         5.50    (#   1158:25  Preassigned    4.86, 5.60 A)
 &rst
  ixpk= 1158, nxpk= 25, iat= 205,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=  83,  84,  85,  87,  88,  89,
 &end
#
#    3 ILE  QD1           5 VAL  QG+         3.50    (#   1159:25  Preassigned    2.32, 4.92 A)
 &rst
  ixpk= 1159, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  51,  52,  53,
 igr2=  83,  84,  85,  87,  88,  89,
 &end
#
#    4 PHE  HB+           5 VAL  QG+         5.50    (#   1160:25  Preassigned    5.54, 7.12 A)
 &rst
  ixpk= 1160, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  61,  62,
 igr2=  83,  84,  85,  87,  88,  89,
 &end
#
#   13 ILE  HA            5 VAL  QG+         5.50    (#   1161:25  Preassigned    5.73, 7.30 A)
 &rst
  ixpk= 1161, nxpk= 25, iat= 207,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=  83,  84,  85,  87,  88,  89,
 &end
#
#    0 AMB  25-3:1162     0 AMB  25-1:1162   5.50    (#   1162:25  Double Ambig)
 &rst
  ixpk= 1162, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=1063, 193,
 igr2=  83,  84,  85,  87,  88,  89,  83,  84,  85,  87,
        88,  89,
 &end
#
#   30 ILE  HN            5 VAL  QG+         5.50    (#   1163:25  Preassigned    5.59, 6.66 A)
 &rst
  ixpk= 1163, nxpk= 25, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=  83,  84,  85,  87,  88,  89,
 &end
#
#    4 PHE  HN            5 VAL  QG+         5.50    (#   1164:25  Preassigned    4.39, 6.41 A)
 &rst
  ixpk= 1164, nxpk= 25, iat=  57,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=  83,  84,  85,  87,  88,  89,
 &end
#
#   15 LEU  HN            5 VAL  QG+         5.50    (#   1165:25  Preassigned    3.67, 5.93 A)
 &rst
  ixpk= 1165, nxpk= 25, iat= 238,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=  83,  84,  85,  87,  88,  89,
 &end
#
#   13 ILE  HN            5 VAL  QG+         5.50    (#   1166:25  Preassigned    4.86, 5.60 A)
 &rst
  ixpk= 1166, nxpk= 25, iat= 205,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=  83,  84,  85,  87,  88,  89,
 &end
#
#   65 SER  HN            2 GLN  HA          7.00    (#   1167:25  Preassigned    5.87, 5.90 A)
 &rst
  ixpk= 1167, nxpk= 25, iat=1036,  23, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  25-3:1168     6 LYS  HB-         5.50    (#   1168:25  Single Ambig)
 &rst
  ixpk= 1168, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=  83,  84,  85,  87,  88,  89,  83,  84,  85,  87,
        88,  89,
 igr2=  97,  98,
 &end
#
#   66 THR  QG2           6 LYS  HB-         3.50    (#   1169:25  Preassigned    2.66, 3.76 A)
 &rst
  ixpk= 1169, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1053,1054,1055,
 igr2=  97,  98,
 &end
#
#   12 THR  QG2           6 LYS  HB-         4.50    (#   1170:25  Preassigned    2.73, 4.70 A)
 &rst
  ixpk= 1170, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 197, 198, 199,
 igr2=  97,  98,
 &end
#
#    7 THR  QG2           6 LYS  HB-         5.50    (#   1171:25  Preassigned    5.73, 7.03 A)
 &rst
  ixpk= 1171, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 121, 122, 123,
 igr2=  97,  98,
 &end
#
#    6 LYS  HG+           6 LYS  HB-         3.50    (#   1172:25  Preassigned    2.34, 2.73 A)
 &rst
  ixpk= 1172, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 100, 101,
 igr2=  97,  98,
 &end
#
#    0 AMB  25-3:1173     6 LYS  HB-         4.50    (#   1173:25  Single Ambig)
 &rst
  ixpk= 1173, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 106, 107, 106, 107,
 igr2=  97,  98,
 &end
#
#    5 VAL  HA            6 LYS  HB-         4.50    (#   1174:25  Preassigned    4.40, 4.75 A)
 &rst
  ixpk= 1174, nxpk= 25, iat=  79,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  97,  98,
 &end
#
#   12 THR  HA            6 LYS  HB-         5.50    (#   1175:25  Unique         3.24, 4.03 A)
 &rst
  ixpk= 1175, nxpk= 25, iat= 193,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  97,  98,
 &end
#
#    6 LYS  HA            6 LYS  HB-         3.50    (#   1176:25  Preassigned    2.46, 2.81 A)
 &rst
  ixpk= 1176, nxpk= 25, iat=  95,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  97,  98,
 &end
#
#   68 HIS  HD2           6 LYS  HB-         7.00    (#   1177:25  Preassigned    4.40, 6.06 A)
 &rst
  ixpk= 1177, nxpk= 25, iat=1093,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=  97,  98,
 &end
#
#   69 LEU  HN            6 LYS  HB-         5.50    (#   1178:25  Preassigned    4.33, 5.03 A)
 &rst
  ixpk= 1178, nxpk= 25, iat=1097,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  97,  98,
 &end
#
#    7 THR  HN            6 LYS  HB-         4.50    (#   1179:25  Preassigned    3.73, 4.16 A)
 &rst
  ixpk= 1179, nxpk= 25, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  97,  98,
 &end
#
#    6 LYS  HN            6 LYS  HB-         4.50    (#   1180:25  Preassigned    2.23, 2.58 A)
 &rst
  ixpk= 1180, nxpk= 25, iat=  93,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  97,  98,
 &end
#
#    0 AMB  25-3:1181     6 LYS  HB-         7.00    (#   1181:25  Single Ambig)
 &rst
  ixpk= 1181, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1061,  77,
 igr2=  97,  98,
 &end
#
#    0 AMB  25-3:1182     0 AMB  25-1:1182   5.50    (#   1182:25  Double Ambig)
 &rst
  ixpk= 1182, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
 igr1=  83,  84,  85,  87,  88,  89,  83,  84,  85,  87,
        88,  89,
 igr2=  97,  98,  97,  98,
 &end
#
#   66 THR  QG2           6 LYS  HB+         3.50    (#   1183:25  Preassigned    2.66, 3.76 A)
 &rst
  ixpk= 1183, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1053,1054,1055,
 igr2=  97,  98,
 &end
#
#   12 THR  QG2           6 LYS  HB+         4.50    (#   1184:25  Preassigned    2.73, 4.70 A)
 &rst
  ixpk= 1184, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 197, 198, 199,
 igr2=  97,  98,
 &end
#
#    7 THR  QG2           6 LYS  HB+         5.50    (#   1185:25  Preassigned    5.73, 7.03 A)
 &rst
  ixpk= 1185, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 121, 122, 123,
 igr2=  97,  98,
 &end
#
#    6 LYS  HG+           6 LYS  HB+         3.50    (#   1186:25  Preassigned    2.34, 2.73 A)
 &rst
  ixpk= 1186, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 100, 101,
 igr2=  97,  98,
 &end
#
#   67 LEU  HG            6 LYS  HB+         7.00    (#   1187:25  Preassigned    7.29, 7.89 A)
 &rst
  ixpk= 1187, nxpk= 25, iat=1068,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=  97,  98,
 &end
#
#   68 HIS  HB-           6 LYS  HB+         7.00    (#   1188:25  Preassigned    5.06, 6.20 A)
 &rst
  ixpk= 1188, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1084,1085,
 igr2=  97,  98,
 &end
#
#    0 AMB  25-3:1189     0 AMB  25-1:1189   4.50    (#   1189:25  Double Ambig)
 &rst
  ixpk= 1189, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 106, 107, 106, 107,
 igr2=  97,  98,  97,  98,
 &end
#
#   66 THR  HB            6 LYS  HB+         7.00    (#   1190:25  Preassigned    5.36, 5.99 A)
 &rst
  ixpk= 1190, nxpk= 25, iat=1051,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=  97,  98,
 &end
#
#    5 VAL  HA            6 LYS  HB+         4.50    (#   1191:25  Preassigned    4.40, 4.75 A)
 &rst
  ixpk= 1191, nxpk= 25, iat=  79,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  97,  98,
 &end
#
#   12 THR  HA            6 LYS  HB+         5.50    (#   1192:25  Unique         3.24, 4.03 A)
 &rst
  ixpk= 1192, nxpk= 25, iat= 193,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  97,  98,
 &end
#
#    6 LYS  HA            6 LYS  HB+         3.50    (#   1193:25  Preassigned    2.46, 2.81 A)
 &rst
  ixpk= 1193, nxpk= 25, iat=  95,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  97,  98,
 &end
#
#   68 HIS  HD2           6 LYS  HB+         7.00    (#   1194:25  Preassigned    4.40, 6.06 A)
 &rst
  ixpk= 1194, nxpk= 25, iat=1093,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=  97,  98,
 &end
#
#   69 LEU  HN            6 LYS  HB+         5.50    (#   1195:25  Preassigned    4.33, 5.03 A)
 &rst
  ixpk= 1195, nxpk= 25, iat=1097,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  97,  98,
 &end
#
#    7 THR  HN            6 LYS  HB+         4.50    (#   1196:25  Preassigned    3.73, 4.16 A)
 &rst
  ixpk= 1196, nxpk= 25, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  97,  98,
 &end
#
#    6 LYS  HN            6 LYS  HB+         4.50    (#   1197:25  Preassigned    2.23, 2.58 A)
 &rst
  ixpk= 1197, nxpk= 25, iat=  93,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  97,  98,
 &end
#
#    0 AMB  25-3:1198     0 AMB  25-1:1198   5.50    (#   1198:25  Double Ambig)
 &rst
  ixpk= 1198, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1061,  77,
 igr2=  97,  98,  97,  98,
 &end
#
#   13 ILE  HN            6 LYS  HB+         7.00    (#   1199:25  Preassigned    4.85, 5.43 A)
 &rst
  ixpk= 1199, nxpk= 25, iat= 205,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=  97,  98,
 &end
#
#   66 THR  QG2           6 LYS  HG+         4.50    (#   1200:25  Preassigned    4.36, 5.66 A)
 &rst
  ixpk= 1200, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1053,1054,1055,
 igr2= 100, 101,
 &end
#
#   12 THR  QG2           6 LYS  HG+         4.50    (#   1201:25  Preassigned    2.55, 4.70 A)
 &rst
  ixpk= 1201, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 197, 198, 199,
 igr2= 100, 101,
 &end
#
#    0 AMB  25-3:1202     0 AMB  25-1:1202   3.50    (#   1202:25  Double Ambig)
 &rst
  ixpk= 1202, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 103, 104, 103, 104,  97,  98,
 igr2= 100, 101, 100, 101, 100, 101,
 &end
#
#    0 AMB  25-3:1205     0 AMB  25-1:1205   4.50    (#   1205:25  Double Ambig)
 &rst
  ixpk= 1205, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 106, 107, 106, 107,
 igr2= 100, 101, 100, 101,
 &end
#
#    4 PHE  HB-           6 LYS  HG+         5.50    (#   1206:25  Preassigned    5.39, 6.61 A)
 &rst
  ixpk= 1206, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  61,  62,
 igr2= 100, 101,
 &end
#
#   12 THR  HB            6 LYS  HG+         7.00    (#   1208:25  Preassigned    3.81, 4.98 A)
 &rst
  ixpk= 1208, nxpk= 25, iat= 195,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 100, 101,
 &end
#
#    7 THR  HB            6 LYS  HG+         5.50    (#   1210:25  Preassigned    5.51, 6.48 A)
 &rst
  ixpk= 1210, nxpk= 25, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 100, 101,
 &end
#
#   12 THR  HA            6 LYS  HG+         5.50    (#   1211:25  Preassigned    2.22, 3.29 A)
 &rst
  ixpk= 1211, nxpk= 25, iat= 193,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 100, 101,
 &end
#
#    6 LYS  HA            6 LYS  HG+         4.50    (#   1212:25  Preassigned    2.25, 2.63 A)
 &rst
  ixpk= 1212, nxpk= 25, iat=  95,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 100, 101,
 &end
#
#   69 LEU  HN            6 LYS  HG+         7.00    (#   1213:25  Preassigned    4.92, 6.07 A)
 &rst
  ixpk= 1213, nxpk= 25, iat=1097,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 100, 101,
 &end
#
#    7 THR  HN            6 LYS  HG+         5.50    (#   1214:25  Preassigned    2.81, 3.33 A)
 &rst
  ixpk= 1214, nxpk= 25, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 100, 101,
 &end
#
#    0 AMB  25-3:1215     0 AMB  25-1:1215   5.50    (#   1215:25  Double Ambig)
 &rst
  ixpk= 1215, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=  93, 129,
 igr2= 100, 101, 100, 101,
 &end
#
#    0 AMB  25-3:1216     6 LYS  HG-         7.00    (#   1216:25  Single Ambig)
 &rst
  ixpk= 1216, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=  77,1061,
 igr2= 100, 101,
 &end
#
#    0 AMB  25-3:1217     6 LYS  HG-         4.50    (#   1217:25  Single Ambig)
 &rst
  ixpk= 1217, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  93, 129,
 igr2= 100, 101,
 &end
#
#    7 THR  HN            6 LYS  HG-         4.50    (#   1218:25  Preassigned    2.81, 3.33 A)
 &rst
  ixpk= 1218, nxpk= 25, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 100, 101,
 &end
#
#   69 LEU  HN            6 LYS  HG-         7.00    (#   1219:25  Preassigned    4.92, 6.07 A)
 &rst
  ixpk= 1219, nxpk= 25, iat=1097,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 100, 101,
 &end
#
#   10 GLY  HN            6 LYS  HG-         7.00    (#   1220:25  Preassigned    3.66, 4.54 A)
 &rst
  ixpk= 1220, nxpk= 25, iat= 162,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 100, 101,
 &end
#
#   68 HIS  HD2           6 LYS  HG-         7.00    (#   1221:25  Preassigned    5.64, 7.14 A)
 &rst
  ixpk= 1221, nxpk= 25, iat=1093,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 100, 101,
 &end
#
#    6 LYS  HA            6 LYS  HG-         4.50    (#   1222:25  Preassigned    2.25, 2.63 A)
 &rst
  ixpk= 1222, nxpk= 25, iat=  95,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 100, 101,
 &end
#
#   12 THR  HA            6 LYS  HG-         5.50    (#   1223:25  Preassigned    2.22, 3.29 A)
 &rst
  ixpk= 1223, nxpk= 25, iat= 193,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 100, 101,
 &end
#
#    0 AMB  25-3:1224     6 LYS  HG-         5.50    (#   1224:25  Single Ambig)
 &rst
  ixpk= 1224, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  79, 150,
 igr2= 100, 101,
 &end
#
#   10 GLY  HA-           6 LYS  HG-         5.50    (#   1225:25  Preassigned    3.28, 4.72 A)
 &rst
  ixpk= 1225, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 164, 165,
 igr2= 100, 101,
 &end
#
#   10 GLY  HA+           6 LYS  HG-         5.50    (#   1227:25  Preassigned    3.28, 4.72 A)
 &rst
  ixpk= 1227, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 164, 165,
 igr2= 100, 101,
 &end
#
#    0 AMB  25-3:1228     6 LYS  HG-         4.50    (#   1228:25  Single Ambig)
 &rst
  ixpk= 1228, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 106, 107, 106, 107,
 igr2= 100, 101,
 &end
#
#    0 AMB  25-3:1229     6 LYS  HG-         2.80    (#   1229:25  Single Ambig)
 &rst
  ixpk= 1229, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 103, 104, 103, 104,  97,  98,
 igr2= 100, 101,
 &end
#
#   12 THR  QG2           6 LYS  HG-         4.50    (#   1230:25  Preassigned    2.55, 4.70 A)
 &rst
  ixpk= 1230, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 197, 198, 199,
 igr2= 100, 101,
 &end
#
#   66 THR  QG2           6 LYS  HG-         4.50    (#   1231:25  Preassigned    4.36, 5.66 A)
 &rst
  ixpk= 1231, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1053,1054,1055,
 igr2= 100, 101,
 &end
#
#    6 LYS  HN            0 AMB  25-1:1232   5.50    (#   1232:25  Single Ambig)
 &rst
  ixpk= 1232, nxpk= 25, iat=  93,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 103, 104, 103, 104,
 &end
#
#    7 THR  HN            0 AMB  25-1:1233   5.50    (#   1233:25  Single Ambig)
 &rst
  ixpk= 1233, nxpk= 25, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 179, 180, 179, 180,
 &end
#
#   11 LYS  HN            0 AMB  25-1:1234   4.50    (#   1234:25  Single Ambig)
 &rst
  ixpk= 1234, nxpk= 25, iat= 169,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 179, 180, 179, 180, 103, 104,
 &end
#
#   68 HIS  HD2           0 AMB  25-1:1235   7.00    (#   1235:25  Single Ambig)
 &rst
  ixpk= 1235, nxpk= 25, iat=1093,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr2= 103, 104, 103, 104,
 &end
#
#    0 AMB  25-3:1236     0 AMB  25-1:1236   4.50    (#   1236:25  Double Ambig)
 &rst
  ixpk= 1236, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=  95,1049,
 igr2= 103, 104, 103, 104, 103, 104,
 &end
#
#   12 THR  HA            0 AMB  25-1:1237   5.50    (#   1237:25  Single Ambig)
 &rst
  ixpk= 1237, nxpk= 25, iat= 193,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 103, 104, 103, 104,
 &end
#
#    0 AMB  25-3:1239     0 AMB  25-1:1239   4.50    (#   1239:25  Double Ambig)
 &rst
  ixpk= 1239, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 207, 171,
 igr2= 179, 180, 179, 180, 179, 180,
 &end
#
#   66 THR  HB            0 AMB  25-1:1240   5.50    (#   1240:25  Single Ambig)
 &rst
  ixpk= 1240, nxpk= 25, iat=1051,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 103, 104, 103, 104,
 &end
#
#    0 AMB  25-3:1241     0 AMB  25-1:1241   3.50    (#   1241:25  Double Ambig)
 &rst
  ixpk= 1241, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 106, 107, 106, 107, 106, 107,
 igr2= 103, 104, 103, 104, 103, 104,
 &end
#
#    0 AMB  25-3:1242     0 AMB  25-1:1242   2.80    (#   1242:25  Double Ambig)
 &rst
  ixpk= 1242, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 100, 101,  97,  98,  97,  98,
 igr2= 103, 104, 103, 104, 103, 104,
 &end
#
#   12 THR  QG2           0 AMB  25-1:1243   3.50    (#   1243:25  Single Ambig)
 &rst
  ixpk= 1243, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 197, 198, 199,
 igr2= 103, 104, 103, 104,
 &end
#
#   66 THR  QG2           0 AMB  25-1:1244   3.50    (#   1244:25  Single Ambig)
 &rst
  ixpk= 1244, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1053,1054,1055,
 igr2= 103, 104, 103, 104,
 &end
#
#    8 LEU  HN            7 THR  HA          7.00    (#   1245:25  Preassigned    2.29, 2.36 A)
 &rst
  ixpk= 1245, nxpk= 25, iat= 129, 117, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  25-3:1246     0 AMB  25-1:1246   4.50    (#   1246:25  Double Ambig)
 &rst
  ixpk= 1246, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 115, 872,
 igr2= 117, 874,
 &end
#
#   69 LEU  HN            7 THR  HA          3.50    (#   1247:25  Unique         2.27, 2.34 A)
 &rst
  ixpk= 1247, nxpk= 25, iat=1097, 117, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   22 THR  HB           55 THR  HA          4.50    (#   1248:25  Preassigned    4.27, 4.30 A)
 &rst
  ixpk= 1248, nxpk= 25, iat= 344, 874, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:1249     7 THR  HA          7.00    (#   1249:25  Single Ambig)
 &rst
  ixpk= 1249, nxpk= 25, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 133, 134, 133, 134,
 &end
#
#    6 LYS  HG+           7 THR  HA          7.00    (#   1250:25  Preassigned    4.32, 5.45 A)
 &rst
  ixpk= 1250, nxpk= 25, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 100, 101,
 &end
#
#    7 THR  QG2           7 THR  HA          3.50    (#   1251:25  Preassigned    2.44, 3.04 A)
 &rst
  ixpk= 1251, nxpk= 25, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 121, 122, 123,
 &end
#
#   26 VAL  QG+          55 THR  HA          4.50    (#   1252:25  Preassigned    4.90, 6.99 A)
 &rst
  ixpk= 1252, nxpk= 25, iat=  -1, 874, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 408, 409, 410, 412, 413, 414,
 &end
#
#    0 AMB  25-3:1253    55 THR  HA          3.50    (#   1253:25  Single Ambig)
 &rst
  ixpk= 1253, nxpk= 25, iat=  -1, 874, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 895, 896, 897, 899, 900, 901, 408, 409, 410, 412,
       413, 414,
 &end
#
#   56 LEU  HG           55 THR  HA          5.50    (#   1254:25  Preassigned    4.22, 4.25 A)
 &rst
  ixpk= 1254, nxpk= 25, iat= 893, 874, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:1255     0 AMB  25-1:1255   5.50    (#   1255:25  Double Ambig)
 &rst
  ixpk= 1255, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 136, 890, 891,
 igr2= 117, 874,
 &end
#
#   58 ASP  HA           55 THR  HA          7.00    (#   1256:25  Preassigned    6.72, 6.74 A)
 &rst
  ixpk= 1256, nxpk= 25, iat= 918, 874, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  25-3:1257    55 THR  HA          4.50    (#   1257:25  Single Ambig)
 &rst
  ixpk= 1257, nxpk= 25, iat=  -1, 874, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 850, 330,
 &end
#
#    9 THR  HN            7 THR  HA          5.50    (#   1258:25  Preassigned    3.82, 3.87 A)
 &rst
  ixpk= 1258, nxpk= 25, iat= 148, 117, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   11 LYS  HN            7 THR  HA          7.00    (#   1259:25  Preassigned    4.81, 4.89 A)
 &rst
  ixpk= 1259, nxpk= 25, iat= 169, 117, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  25-3:1260    55 THR  HA          5.50    (#   1260:25  Single Ambig)
 &rst
  ixpk= 1260, nxpk= 25, iat=  -1, 874, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 319, 831,
 &end
#
#   53 GLY  HA+          55 THR  HA          7.00    (#   1261:25  Preassigned    6.82, 7.18 A)
 &rst
  ixpk= 1261, nxpk= 25, iat=  -1, 874, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 843, 844,
 &end
#
#   23 ILE  HA           55 THR  HA          5.50    (#   1262:25  Preassigned    4.34, 4.42 A)
 &rst
  ixpk= 1262, nxpk= 25, iat= 356, 874, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   69 LEU  QD-           7 THR  QG2         2.80    (#   1263:25  Unique         2.27, 4.70 A)
 &rst
  ixpk= 1263, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=1106,1107,1108,1110,1111,1112,
 igr2= 121, 122, 123,
 &end
#
#    0 AMB  25-3:1264     7 THR  QG2         3.50    (#   1264:25  Single Ambig)
 &rst
  ixpk= 1264, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1=1106,1107,1108,1110,1111,1112, 211, 212, 213,
 igr2= 121, 122, 123,
 &end
#
#   13 ILE  HG1-          7 THR  QG2         5.50    (#   1265:25  Preassigned    6.29, 7.17 A)
 &rst
  ixpk= 1265, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 215, 216,
 igr2= 121, 122, 123,
 &end
#
#   69 LEU  HB+           7 THR  QG2         4.50    (#   1266:25  Preassigned    1.94, 3.21 A)
 &rst
  ixpk= 1266, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1101,1102,
 igr2= 121, 122, 123,
 &end
#
#    0 AMB  25-3:1267     7 THR  QG2         4.50    (#   1267:25  Single Ambig)
 &rst
  ixpk= 1267, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 100, 101, 215, 216,
 igr2= 121, 122, 123,
 &end
#
#    0 AMB  25-3:1268     7 THR  QG2         3.50    (#   1268:25  Single Ambig)
 &rst
  ixpk= 1268, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1101,1102, 179, 180, 179, 180,
 igr2= 121, 122, 123,
 &end
#
#   11 LYS  HB+           7 THR  QG2         3.50    (#   1269:25  Preassigned    3.34, 5.18 A)
 &rst
  ixpk= 1269, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 173, 174,
 igr2= 121, 122, 123,
 &end
#
#   11 LYS  HB-           7 THR  QG2         3.50    (#   1270:25  Preassigned    3.34, 5.18 A)
 &rst
  ixpk= 1270, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 173, 174,
 igr2= 121, 122, 123,
 &end
#
#    0 AMB  25-3:1271     0 AMB  25-1:1271   3.50    (#   1271:25  Double Ambig)
 &rst
  ixpk= 1271, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 377, 378, 377, 378, 852, 853, 133, 134, 133, 134,
       482, 483,
 igr2= 346, 347, 348, 121, 122, 123,
 &end
#
#   52 ASP  HB+          22 THR  QG2         5.50    (#   1273:25  Unique         6.30, 7.64 A)
 &rst
  ixpk= 1273, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 833, 834,
 igr2= 346, 347, 348,
 &end
#
#    0 AMB  25-3:1275     7 THR  QG2         4.50    (#   1275:25  Single Ambig)
 &rst
  ixpk= 1275, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 182, 183, 182, 183,
 igr2= 121, 122, 123,
 &end
#
#   53 GLY  HA-          22 THR  QG2         4.50    (#   1276:25  Unique         3.91, 5.29 A)
 &rst
  ixpk= 1276, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 843, 844,
 igr2= 346, 347, 348,
 &end
#
#    0 AMB  25-3:1277     0 AMB  25-1:1277   5.50    (#   1277:25  Double Ambig)
 &rst
  ixpk= 1277, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1118, 131,
 igr2= 121, 122, 123, 154, 155, 156,
 &end
#
#    7 THR  HB            7 THR  QG2         3.50    (#   1278:25  Preassigned    2.25, 2.64 A)
 &rst
  ixpk= 1278, nxpk= 25, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 121, 122, 123,
 &end
#
#   12 THR  HA            7 THR  QG2         4.50    (#   1279:25  Preassigned    4.63, 5.81 A)
 &rst
  ixpk= 1279, nxpk= 25, iat= 193,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 121, 122, 123,
 &end
#
#    6 LYS  HA            7 THR  QG2         4.50    (#   1280:25  Preassigned    3.74, 4.90 A)
 &rst
  ixpk= 1280, nxpk= 25, iat=  95,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 121, 122, 123,
 &end
#
#    7 THR  HA            7 THR  QG2         2.80    (#   1281:25  Preassigned    2.44, 3.04 A)
 &rst
  ixpk= 1281, nxpk= 25, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 121, 122, 123,
 &end
#
#   11 LYS  HN            0 AMB  25-1:1282   4.50    (#   1282:25  Single Ambig)
 &rst
  ixpk= 1282, nxpk= 25, iat= 169,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 154, 155, 156, 121, 122, 123,
 &end
#
#    9 THR  HN            9 THR  QG2         3.50    (#   1283:25  Preassigned    3.99, 4.48 A)
 &rst
  ixpk= 1283, nxpk= 25, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 154, 155, 156,
 &end
#
#   10 GLY  HN            0 AMB  25-1:1284   4.50    (#   1284:25  Single Ambig)
 &rst
  ixpk= 1284, nxpk= 25, iat= 162,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 154, 155, 156, 121, 122, 123,
 &end
#
#   69 LEU  HN            7 THR  QG2         4.50    (#   1285:25  Preassigned    3.81, 4.71 A)
 &rst
  ixpk= 1285, nxpk= 25, iat=1097,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 121, 122, 123,
 &end
#
#    7 THR  HN            7 THR  QG2         3.50    (#   1286:25  Preassigned    2.36, 3.32 A)
 &rst
  ixpk= 1286, nxpk= 25, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 121, 122, 123,
 &end
#
#    8 LEU  HN            7 THR  QG2         3.50    (#   1287:25  Unique         3.92, 4.51 A)
 &rst
  ixpk= 1287, nxpk= 25, iat= 129,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 121, 122, 123,
 &end
#
#   13 ILE  HN            7 THR  QG2         5.50    (#   1288:25  Preassigned    4.07, 5.17 A)
 &rst
  ixpk= 1288, nxpk= 25, iat= 205,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 121, 122, 123,
 &end
#
#    5 VAL  HN            7 THR  QG2         7.00    (#   1289:25  Preassigned    6.47, 7.52 A)
 &rst
  ixpk= 1289, nxpk= 25, iat=  77,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 121, 122, 123,
 &end
#
#   34 GLU  HB+           7 THR  QG2         5.50    (#   1290:25  Preassigned    3.86, 5.00 A)
 &rst
  ixpk= 1290, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 546, 547,
 igr2= 121, 122, 123,
 &end
#
#   69 LEU  HG            7 THR  QG2         3.50    (#   1291:25  Unique         2.00, 3.06 A)
 &rst
  ixpk= 1291, nxpk= 25, iat=1104,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 121, 122, 123,
 &end
#
#   11 LYS  HG+           7 THR  QG2         4.50    (#   1292:25  Preassigned    2.24, 3.60 A)
 &rst
  ixpk= 1292, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 176, 177,
 igr2= 121, 122, 123,
 &end
#
#    8 LEU  HN            8 LEU  HA          4.50    (#   1293:25  Preassigned    2.78, 2.82 A)
 &rst
  ixpk= 1293, nxpk= 25, iat= 129, 131, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:1294     8 LEU  HA          5.50    (#   1294:25  Single Ambig)
 &rst
  ixpk= 1294, nxpk= 25, iat=  -1, 131, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1106,1107,1108,1110,1111,1112, 713, 714, 715,
 &end
#
#    9 THR  HN            8 LEU  HA          4.50    (#   1295:25  Preassigned    3.07, 3.25 A)
 &rst
  ixpk= 1295, nxpk= 25, iat= 148, 131, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:1296     8 LEU  HA          5.50    (#   1296:25  Single Ambig)
 &rst
  ixpk= 1296, nxpk= 25, iat=  -1, 131, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 106, 107, 106, 107,
 &end
#
#   10 GLY  HN            8 LEU  HA          4.50    (#   1297:25  Preassigned    3.60, 3.74 A)
 &rst
  ixpk= 1297, nxpk= 25, iat= 162, 131, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   59 TYR  HN           58 ASP  HA          4.50    (#   1298:25  Preassigned    3.32, 3.34 A)
 &rst
  ixpk= 1298, nxpk= 25, iat= 928, 918, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:1299     0 AMB  25-1:1299   5.50    (#   1299:25  Double Ambig)
 &rst
  ixpk= 1299, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 103, 104, 103, 104,  97,  98, 855, 856,
 igr2= 131, 918,
 &end
#
#    0 AMB  25-3:1300     8 LEU  HA          7.00    (#   1300:25  Single Ambig)
 &rst
  ixpk= 1300, nxpk= 25, iat=  -1, 131, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 100, 101,1101,1102,
 &end
#
#    7 THR  HB            0 AMB  25-1:1302   4.50    (#   1302:25  Single Ambig)
 &rst
  ixpk= 1302, nxpk= 25, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 133, 134, 133, 134,
 &end
#
#    7 THR  HA            0 AMB  25-1:1303   4.50    (#   1303:25  Single Ambig)
 &rst
  ixpk= 1303, nxpk= 25, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 133, 134, 133, 134,
 &end
#
#    9 THR  HN            0 AMB  25-1:1304   4.50    (#   1304:25  Single Ambig)
 &rst
  ixpk= 1304, nxpk= 25, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 133, 134, 133, 134,
 &end
#
#   11 LYS  HN            0 AMB  25-1:1305   5.50    (#   1305:25  Single Ambig)
 &rst
  ixpk= 1305, nxpk= 25, iat= 169,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 133, 134, 133, 134,
 &end
#
#   71 LEU  HB-           0 AMB  25-1:1308   5.50    (#   1308:25  Single Ambig)
 &rst
  ixpk= 1308, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1136,1137,
 igr2= 133, 134, 133, 134,
 &end
#
#   71 LEU  HN            0 AMB  25-1:1310   5.50    (#   1310:25  Single Ambig)
 &rst
  ixpk= 1310, nxpk= 25, iat=1132,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 133, 134, 133, 134,
 &end
#
#   10 GLY  HN            0 AMB  25-1:1311   5.50    (#   1311:25  Single Ambig)
 &rst
  ixpk= 1311, nxpk= 25, iat= 162,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 133, 134, 133, 134,
 &end
#
#   69 LEU  QD-           8 LEU  HG          4.50    (#   1312:25  Preassigned    3.92, 5.67 A)
 &rst
  ixpk= 1312, nxpk= 25, iat=  -1, 136, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1106,1107,1108,1110,1111,1112,
 &end
#
#   70 VAL  QG-           8 LEU  HG          3.50    (#   1313:25  Preassigned    1.94, 4.36 A)
 &rst
  ixpk= 1313, nxpk= 25, iat=  -1, 136, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1122,1123,1124,1126,1127,1128,
 &end
#
#    8 LEU  QD+           8 LEU  HG          3.50    (#   1314:25  Preassigned    2.21, 2.63 A)
 &rst
  ixpk= 1314, nxpk= 25, iat=  -1, 136, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#    8 LEU  QD-           8 LEU  HG          3.50    (#   1315:25  Preassigned    2.21, 2.63 A)
 &rst
  ixpk= 1315, nxpk= 25, iat=  -1, 136, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#    0 AMB  25-3:1316     0 AMB  25-1:1316   2.80    (#   1316:25  Double Ambig)
 &rst
  ixpk= 1316, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 133, 134, 133, 134, 590, 591,
 igr2= 136, 587, 588,
 &end
#
#    0 AMB  25-3:1317     8 LEU  HG          3.50    (#   1317:25  Single Ambig)
 &rst
  ixpk= 1317, nxpk= 25, iat=  -1, 136, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 131,1118,
 &end
#
#    8 LEU  HN            8 LEU  HG          4.50    (#   1318:25  Preassigned    2.75, 2.90 A)
 &rst
  ixpk= 1318, nxpk= 25, iat= 129, 136, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    7 THR  HB            8 LEU  HG          5.50    (#   1319:25  Preassigned    5.08, 5.35 A)
 &rst
  ixpk= 1319, nxpk= 25, iat= 119, 136, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    7 THR  HA            8 LEU  HG          5.50    (#   1320:25  Preassigned    4.30, 4.54 A)
 &rst
  ixpk= 1320, nxpk= 25, iat= 117, 136, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   71 LEU  HN            8 LEU  HG          5.50    (#   1321:25  Preassigned    4.72, 5.30 A)
 &rst
  ixpk= 1321, nxpk= 25, iat=1132, 136, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:1322     0 AMB  25-1:1322   5.50    (#   1322:25  Double Ambig)
 &rst
  ixpk= 1322, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 640, 148,
 igr2= 587, 588, 136,
 &end
#
#   31 GLN  HE2-         37 PRO  HG+         7.00    (#   1323:25  Preassigned    4.96, 6.10 A)
 &rst
  ixpk= 1323, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 503, 504,
 igr2= 587, 588,
 &end
#
#   41 GLN  HE2-         37 PRO  HG+         7.00    (#   1324:25  Preassigned    5.66, 7.15 A)
 &rst
  ixpk= 1324, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 652, 653,
 igr2= 587, 588,
 &end
#
#   36 ILE  HG1-         71 LEU  QD-         4.50    (#   1325:25  Unique         2.93, 5.57 A)
 &rst
  ixpk= 1325, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 574, 575,
 igr2=1141,1142,1143,1145,1146,1147,
 &end
#
#    8 LEU  HN            8 LEU  QD-         4.50    (#   1335:25  Preassigned    2.97, 4.62 A)
 &rst
  ixpk= 1335, nxpk= 25, iat= 129,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#   71 LEU  HN            8 LEU  QD-         4.50    (#   1336:25  Preassigned    3.98, 6.37 A)
 &rst
  ixpk= 1336, nxpk= 25, iat=1132,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#    8 LEU  HA            8 LEU  QD-         3.50    (#   1340:25  Preassigned    1.87, 3.53 A)
 &rst
  ixpk= 1340, nxpk= 25, iat= 131,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#   68 HIS  HB+           8 LEU  QD-         4.50    (#   1342:25  Preassigned    3.20, 6.28 A)
 &rst
  ixpk= 1342, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1084,1085,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#    8 LEU  HG            8 LEU  QD-         3.50    (#   1343:25  Preassigned    2.21, 2.63 A)
 &rst
  ixpk= 1343, nxpk= 25, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#    0 AMB  25-3:1344     8 LEU  QD-         2.80    (#   1344:25  Single Ambig)
 &rst
  ixpk= 1344, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 133, 134, 133, 134,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#   44 ILE  HB            8 LEU  QD-         4.50    (#   1345:25  Unique         4.71, 6.19 A)
 &rst
  ixpk= 1345, nxpk= 25, iat= 704,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#   70 VAL  QG-           8 LEU  QD-         3.50    (#   1348:25  Preassigned    1.90, 5.39 A)
 &rst
  ixpk= 1348, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1122,1123,1124,1126,1127,1128,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#   44 ILE  QD1           8 LEU  QD-         3.50    (#   1350:25  Unique         3.47, 5.82 A)
 &rst
  ixpk= 1350, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 713, 714, 715,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#    7 THR  HA            8 LEU  QD-         5.50    (#   1353:25  Preassigned    4.19, 6.31 A)
 &rst
  ixpk= 1353, nxpk= 25, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#   68 HIS  HD2           8 LEU  QD-         5.50    (#   1354:25  Unique         1.88, 4.08 A)
 &rst
  ixpk= 1354, nxpk= 25, iat=1093,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#    9 THR  HN            8 LEU  QD-         5.50    (#   1356:25  Preassigned    4.85, 6.05 A)
 &rst
  ixpk= 1356, nxpk= 25, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#   10 GLY  HN            8 LEU  QD-         5.50    (#   1357:25  Preassigned    5.30, 7.03 A)
 &rst
  ixpk= 1357, nxpk= 25, iat= 162,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#    9 THR  HN            9 THR  HB          5.50    (#   1358:25  Preassigned    2.33, 2.39 A)
 &rst
  ixpk= 1358, nxpk= 25, iat= 148, 152, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   10 GLY  HN            9 THR  HB          5.50    (#   1359:25  Preassigned    3.20, 3.29 A)
 &rst
  ixpk= 1359, nxpk= 25, iat= 162, 152, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   11 LYS  HN            9 THR  HB          7.00    (#   1360:25  Preassigned    3.17, 3.39 A)
 &rst
  ixpk= 1360, nxpk= 25, iat= 169, 152, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   10 GLY  HA+           9 THR  HB          5.50    (#   1362:25  Preassigned    4.93, 5.19 A)
 &rst
  ixpk= 1362, nxpk= 25, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 164, 165,
 &end
#
#   11 LYS  HB-           9 THR  HB          5.50    (#   1363:25  Preassigned    3.20, 4.18 A)
 &rst
  ixpk= 1363, nxpk= 25, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 173, 174,
 &end
#
#   30 ILE  HB            7 THR  QG2         7.00    (#   1364:25  Unique         6.81, 7.50 A)
 &rst
  ixpk= 1364, nxpk= 25, iat= 476,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 121, 122, 123,
 &end
#
#   20 SER  HB-          22 THR  QG2         5.50    (#   1366:25  Preassigned    6.18, 7.76 A)
 &rst
  ixpk= 1366, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 321, 322,
 igr2= 346, 347, 348,
 &end
#
#    9 THR  HN           10 GLY  HA-         5.50    (#   1367:25  Preassigned    4.36, 4.79 A)
 &rst
  ixpk= 1367, nxpk= 25, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 164, 165,
 &end
#
#   11 LYS  HN           10 GLY  HA-         4.50    (#   1368:25  Preassigned    2.99, 3.26 A)
 &rst
  ixpk= 1368, nxpk= 25, iat= 169,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 164, 165,
 &end
#
#    9 THR  HA           10 GLY  HA-         4.50    (#   1369:25  Preassigned    4.48, 4.75 A)
 &rst
  ixpk= 1369, nxpk= 25, iat= 150,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 164, 165,
 &end
#
#    0 AMB  25-3:1370    10 GLY  HA-         4.50    (#   1370:25  Single Ambig)
 &rst
  ixpk= 1370, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 106, 107, 106, 107,
 igr2= 164, 165,
 &end
#
#    0 AMB  25-3:1372    10 GLY  HA-         4.50    (#   1372:25  Single Ambig)
 &rst
  ixpk= 1372, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 103, 104, 103, 104,
 igr2= 164, 165,
 &end
#
#    6 LYS  HG-          10 GLY  HA-         5.50    (#   1373:25  Preassigned    3.28, 4.72 A)
 &rst
  ixpk= 1373, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 100, 101,
 igr2= 164, 165,
 &end
#
#    9 THR  QG2          10 GLY  HA-         5.50    (#   1374:25  Unique         3.76, 5.27 A)
 &rst
  ixpk= 1374, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 154, 155, 156,
 igr2= 164, 165,
 &end
#
#    7 THR  HN           10 GLY  HA+         7.00    (#   1375:25  Preassigned    4.96, 5.66 A)
 &rst
  ixpk= 1375, nxpk= 25, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 164, 165,
 &end
#
#    9 THR  HN           10 GLY  HA+         5.50    (#   1376:25  Preassigned    4.36, 4.79 A)
 &rst
  ixpk= 1376, nxpk= 25, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 164, 165,
 &end
#
#   11 LYS  HN           10 GLY  HA+         4.50    (#   1377:25  Preassigned    2.99, 3.26 A)
 &rst
  ixpk= 1377, nxpk= 25, iat= 169,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 164, 165,
 &end
#
#    9 THR  HA           10 GLY  HA+         4.50    (#   1378:25  Preassigned    4.48, 4.75 A)
 &rst
  ixpk= 1378, nxpk= 25, iat= 150,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 164, 165,
 &end
#
#    8 LEU  HA           10 GLY  HA+         5.50    (#   1379:25  Preassigned    4.92, 5.64 A)
 &rst
  ixpk= 1379, nxpk= 25, iat= 131,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 164, 165,
 &end
#
#    0 AMB  25-3:1380     0 AMB  25-1:1380   4.50    (#   1380:25  Double Ambig)
 &rst
  ixpk= 1380, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 106, 107, 106, 107,
 igr2= 164, 165, 164, 165,
 &end
#
#    0 AMB  25-3:1383     0 AMB  25-1:1383   4.50    (#   1383:25  Double Ambig)
 &rst
  ixpk= 1383, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 103, 104, 103, 104,
 igr2= 164, 165, 164, 165,
 &end
#
#    6 LYS  HG-          10 GLY  HA+         5.50    (#   1384:25  Preassigned    3.28, 4.72 A)
 &rst
  ixpk= 1384, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 100, 101,
 igr2= 164, 165,
 &end
#
#    9 THR  QG2          10 GLY  HA+         5.50    (#   1385:25  Unique         3.76, 5.27 A)
 &rst
  ixpk= 1385, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 154, 155, 156,
 igr2= 164, 165,
 &end
#
#    0 AMB  25-3:1386     0 AMB  25-1:1386   5.50    (#   1386:25  Double Ambig)
 &rst
  ixpk= 1386, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1= 799, 800, 197, 198, 199,
 igr2= 831, 171,
 &end
#
#   11 LYS  HG-          11 LYS  HA          4.50    (#   1387:25  Preassigned    2.79, 3.71 A)
 &rst
  ixpk= 1387, nxpk= 25, iat=  -1, 171, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 176, 177,
 &end
#
#    0 AMB  25-3:1388    11 LYS  HA          5.50    (#   1388:25  Single Ambig)
 &rst
  ixpk= 1388, nxpk= 25, iat=  -1, 171, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 182, 183, 182, 183,
 &end
#
#   42 ARG  HB-          72 ARG  HA          5.50    (#   1389:25  Unique         1.59, 2.36 A)
 &rst
  ixpk= 1389, nxpk= 25, iat=  -1,1153, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 661, 662,
 &end
#
#    0 AMB  25-3:1390     0 AMB  25-1:1390   5.50    (#   1390:25  Double Ambig)
 &rst
  ixpk= 1390, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
 igr1= 195, 843, 844,1220,1221,
 igr2= 171, 831,1153,
 &end
#
#   22 THR  HB           52 ASP  HA          5.50    (#   1391:25  Preassigned    3.93, 4.02 A)
 &rst
  ixpk= 1391, nxpk= 25, iat= 344, 831, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:1392     0 AMB  25-1:1392   5.50    (#   1392:25  Double Ambig)
 &rst
  ixpk= 1392, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1134, 193,
 igr2=1153, 171,
 &end
#
#   13 ILE  QG2          11 LYS  HB-         5.50    (#   1394:25  Preassigned    5.14, 6.62 A)
 &rst
  ixpk= 1394, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 211, 212, 213,
 igr2= 173, 174,
 &end
#
#   11 LYS  HG+          11 LYS  HB-         3.50    (#   1395:25  Preassigned    2.21, 2.66 A)
 &rst
  ixpk= 1395, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 176, 177,
 igr2= 173, 174,
 &end
#
#    0 AMB  25-3:1396    11 LYS  HB-         4.50    (#   1396:25  Single Ambig)
 &rst
  ixpk= 1396, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 182, 183, 182, 183,
 igr2= 173, 174,
 &end
#
#   10 GLY  HA+          11 LYS  HB-         7.00    (#   1397:25  Preassigned    4.88, 5.52 A)
 &rst
  ixpk= 1397, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 164, 165,
 igr2= 173, 174,
 &end
#
#   11 LYS  HA           11 LYS  HB-         3.50    (#   1398:25  Preassigned    2.23, 2.54 A)
 &rst
  ixpk= 1398, nxpk= 25, iat= 171,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 173, 174,
 &end
#
#    7 THR  HB           11 LYS  HB-         4.50    (#   1399:25  Preassigned    4.33, 5.25 A)
 &rst
  ixpk= 1399, nxpk= 25, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 173, 174,
 &end
#
#   12 THR  HA           11 LYS  HB-         7.00    (#   1400:25  Preassigned    5.18, 5.40 A)
 &rst
  ixpk= 1400, nxpk= 25, iat= 193,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 173, 174,
 &end
#
#    7 THR  HA           11 LYS  HB-         5.50    (#   1401:25  Preassigned    5.42, 6.46 A)
 &rst
  ixpk= 1401, nxpk= 25, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 173, 174,
 &end
#
#   10 GLY  HN           11 LYS  HB-         5.50    (#   1402:25  Preassigned    4.02, 4.79 A)
 &rst
  ixpk= 1402, nxpk= 25, iat= 162,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 173, 174,
 &end
#
#   12 THR  HN           11 LYS  HB-         4.50    (#   1403:25  Preassigned    3.01, 3.68 A)
 &rst
  ixpk= 1403, nxpk= 25, iat= 191,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 173, 174,
 &end
#
#    7 THR  HN           11 LYS  HB-         5.50    (#   1404:25  Preassigned    3.45, 4.40 A)
 &rst
  ixpk= 1404, nxpk= 25, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 173, 174,
 &end
#
#   35 GLY  HN           34 GLU  HB-         4.50    (#   1405:25  Preassigned    2.70, 3.28 A)
 &rst
  ixpk= 1405, nxpk= 25, iat= 557,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 546, 547,
 &end
#
#   36 ILE  HN           34 GLU  HB-         5.50    (#   1406:25  Preassigned    2.67, 3.14 A)
 &rst
  ixpk= 1406, nxpk= 25, iat= 564,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 546, 547,
 &end
#
#   34 GLU  HA           34 GLU  HB-         3.50    (#   1407:25  Preassigned    2.48, 2.76 A)
 &rst
  ixpk= 1407, nxpk= 25, iat= 544,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 546, 547,
 &end
#
#   34 GLU  HG-          34 GLU  HB-         3.50    (#   1408:25  Preassigned    2.21, 2.54 A)
 &rst
  ixpk= 1408, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 549, 550,
 igr2= 546, 547,
 &end
#
#   34 GLU  HG+          34 GLU  HB-         3.50    (#   1409:25  Preassigned    2.21, 2.54 A)
 &rst
  ixpk= 1409, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 549, 550,
 igr2= 546, 547,
 &end
#
#   36 ILE  HG1+         34 GLU  HB-         4.50    (#   1410:25  Preassigned    2.93, 4.07 A)
 &rst
  ixpk= 1410, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 574, 575,
 igr2= 546, 547,
 &end
#
#    0 AMB  25-3:1411     0 AMB  25-1:1411   3.50    (#   1411:25  Double Ambig)
 &rst
  ixpk= 1411, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1106,1107,1108,1110,1111,1112, 478, 479, 480,
 igr2= 647, 648, 546, 547,
 &end
#
#    0 AMB  25-3:1412     0 AMB  25-1:1412   5.50    (#   1412:25  Double Ambig)
 &rst
  ixpk= 1412, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 474, 584, 585,
 igr2= 546, 547, 647, 648,
 &end
#
#   31 GLN  HA           34 GLU  HB-         7.00    (#   1413:25  Unique         3.30, 4.09 A)
 &rst
  ixpk= 1413, nxpk= 25, iat= 493,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 546, 547,
 &end
#
#   41 GLN  HN           41 GLN  HG-         5.50    (#   1414:25  Preassigned    4.35, 4.60 A)
 &rst
  ixpk= 1414, nxpk= 25, iat= 640,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 647, 648,
 &end
#
#   34 GLU  HN           34 GLU  HB-         3.50    (#   1415:25  Preassigned    2.56, 3.17 A)
 &rst
  ixpk= 1415, nxpk= 25, iat= 542,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 546, 547,
 &end
#
#   12 THR  HN           11 LYS  HG+         4.50    (#   1416:25  Preassigned    2.29, 3.58 A)
 &rst
  ixpk= 1416, nxpk= 25, iat= 191,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 176, 177,
 &end
#
#   11 LYS  HN           11 LYS  HG+         4.50    (#   1417:25  Preassigned    3.39, 3.71 A)
 &rst
  ixpk= 1417, nxpk= 25, iat= 169,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 176, 177,
 &end
#
#   11 LYS  HA           11 LYS  HG+         3.50    (#   1418:25  Preassigned    2.79, 3.71 A)
 &rst
  ixpk= 1418, nxpk= 25, iat= 171,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 176, 177,
 &end
#
#    0 AMB  25-3:1419     0 AMB  25-1:1419   3.50    (#   1419:25  Double Ambig)
 &rst
  ixpk= 1419, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 182, 183, 182, 183,
 igr2= 176, 177, 176, 177,
 &end
#
#   11 LYS  HB-          11 LYS  HG+         3.50    (#   1420:25  Preassigned    2.21, 2.66 A)
 &rst
  ixpk= 1420, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 173, 174,
 igr2= 176, 177,
 &end
#
#    0 AMB  25-3:1421     0 AMB  25-1:1421   2.80    (#   1421:25  Double Ambig)
 &rst
  ixpk= 1421, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 179, 180, 179, 180,
 igr2= 176, 177, 176, 177,
 &end
#
#    0 AMB  25-3:1422     0 AMB  25-1:1422   5.50    (#   1422:25  Double Ambig)
 &rst
  ixpk= 1422, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.25, r4=10.75,
 igr1= 197, 198, 199,1101,1102, 215, 216,
 igr2= 176, 177, 176, 177, 176, 177,
 &end
#
#   10 GLY  HA-          11 LYS  HG+         5.50    (#   1423:25  Preassigned    6.12, 6.73 A)
 &rst
  ixpk= 1423, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 164, 165,
 igr2= 176, 177,
 &end
#
#    7 THR  HB           11 LYS  HG+         7.00    (#   1424:25  Preassigned    4.00, 4.60 A)
 &rst
  ixpk= 1424, nxpk= 25, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 176, 177,
 &end
#
#   12 THR  HA           11 LYS  HG+         7.00    (#   1425:25  Preassigned    3.14, 4.12 A)
 &rst
  ixpk= 1425, nxpk= 25, iat= 193,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 176, 177,
 &end
#
#   10 GLY  HN           11 LYS  HG+         7.00    (#   1426:25  Preassigned    5.24, 5.49 A)
 &rst
  ixpk= 1426, nxpk= 25, iat= 162,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 176, 177,
 &end
#
#   69 LEU  QD-          11 LYS  HG-         7.00    (#   1427:25  Preassigned    5.59, 7.94 A)
 &rst
  ixpk= 1427, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1=1106,1107,1108,1110,1111,1112,
 igr2= 176, 177,
 &end
#
#    0 AMB  25-3:1428    11 LYS  HG-         5.50    (#   1428:25  Single Ambig)
 &rst
  ixpk= 1428, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
 igr1= 197, 198, 199,1101,1102, 215, 216,
 igr2= 176, 177,
 &end
#
#    0 AMB  25-3:1429    11 LYS  HG-         3.50    (#   1429:25  Single Ambig)
 &rst
  ixpk= 1429, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 179, 180, 179, 180,
 igr2= 176, 177,
 &end
#
#   11 LYS  HB-          11 LYS  HG-         3.50    (#   1430:25  Preassigned    2.21, 2.66 A)
 &rst
  ixpk= 1430, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 173, 174,
 igr2= 176, 177,
 &end
#
#    0 AMB  25-3:1431    11 LYS  HG-         3.50    (#   1431:25  Single Ambig)
 &rst
  ixpk= 1431, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 182, 183, 182, 183,
 igr2= 176, 177,
 &end
#
#   13 ILE  HA           11 LYS  HG-         4.50    (#   1432:25  Preassigned    4.43, 5.30 A)
 &rst
  ixpk= 1432, nxpk= 25, iat= 207,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 176, 177,
 &end
#
#   11 LYS  HN           11 LYS  HG-         5.50    (#   1433:25  Preassigned    3.39, 3.71 A)
 &rst
  ixpk= 1433, nxpk= 25, iat= 169,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 176, 177,
 &end
#
#   12 THR  HN           11 LYS  HG-         4.50    (#   1434:25  Preassigned    2.29, 3.58 A)
 &rst
  ixpk= 1434, nxpk= 25, iat= 191,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 176, 177,
 &end
#
#   13 ILE  HN           11 LYS  HG-         5.50    (#   1435:25  Preassigned    3.26, 4.06 A)
 &rst
  ixpk= 1435, nxpk= 25, iat= 205,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 176, 177,
 &end
#
#    7 THR  HN           11 LYS  HG-         7.00    (#   1436:25  Unique         2.45, 3.23 A)
 &rst
  ixpk= 1436, nxpk= 25, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 176, 177,
 &end
#
#   12 THR  HA           11 LYS  HG-         5.50    (#   1437:25  Preassigned    3.14, 4.12 A)
 &rst
  ixpk= 1437, nxpk= 25, iat= 193,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 176, 177,
 &end
#
#   33 LYS  HB+          11 LYS  HG-         7.00    (#   1439:25  Unique         7.30, 7.64 A)
 &rst
  ixpk= 1439, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 524, 525,
 igr2= 176, 177,
 &end
#
#   11 LYS  HG-           0 AMB  25-1:1440   3.50    (#   1440:25  Single Ambig)
 &rst
  ixpk= 1440, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 176, 177,
 igr2= 179, 180, 179, 180,
 &end
#
#    0 AMB  25-3:1441     0 AMB  25-1:1441   3.50    (#   1441:25  Double Ambig)
 &rst
  ixpk= 1441, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 182, 183, 182, 183, 182, 183,
 igr2= 179, 180, 179, 180, 179, 180,
 &end
#
#    0 AMB  25-3:1442     0 AMB  25-1:1442   4.50    (#   1442:25  Double Ambig)
 &rst
  ixpk= 1442, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 207, 171,
 igr2= 179, 180, 179, 180, 179, 180,
 &end
#
#   13 ILE  QD1           0 AMB  25-1:1443   4.50    (#   1443:25  Single Ambig)
 &rst
  ixpk= 1443, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 218, 219, 220,
 igr2= 179, 180, 179, 180,
 &end
#
#   13 ILE  QD1           0 AMB  25-1:1444   4.50    (#   1444:25  Single Ambig)
 &rst
  ixpk= 1444, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 218, 219, 220,
 igr2= 182, 183, 182, 183,
 &end
#
#   13 ILE  QG2           0 AMB  25-1:1445   4.50    (#   1445:25  Single Ambig)
 &rst
  ixpk= 1445, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 211, 212, 213,
 igr2= 182, 183, 182, 183,
 &end
#
#   13 ILE  HG1-          0 AMB  25-1:1446   4.50    (#   1446:25  Single Ambig)
 &rst
  ixpk= 1446, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 215, 216,
 igr2= 182, 183, 182, 183,
 &end
#
#   13 ILE  HB            0 AMB  25-1:1447   4.50    (#   1447:25  Single Ambig)
 &rst
  ixpk= 1447, nxpk= 25, iat= 209,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 182, 183, 182, 183,
 &end
#
#   13 ILE  HA            0 AMB  25-1:1448   4.50    (#   1448:25  Single Ambig)
 &rst
  ixpk= 1448, nxpk= 25, iat= 207,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 182, 183, 182, 183,
 &end
#
#    7 THR  HB            0 AMB  25-1:1449   4.50    (#   1449:25  Single Ambig)
 &rst
  ixpk= 1449, nxpk= 25, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 182, 183, 182, 183,
 &end
#
#   12 THR  HN            0 AMB  25-1:1450   5.50    (#   1450:25  Single Ambig)
 &rst
  ixpk= 1450, nxpk= 25, iat= 191,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 182, 183, 182, 183,
 &end
#
#    0 AMB  25-3:1451     0 AMB  25-1:1451   5.50    (#   1451:25  Double Ambig)
 &rst
  ixpk= 1451, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 549, 550, 549, 550,
 igr2= 182, 183, 182, 183,
 &end
#
#   34 GLU  HG-           0 AMB  25-1:1452   5.50    (#   1452:25  Single Ambig)
 &rst
  ixpk= 1452, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 549, 550,
 igr2= 182, 183, 182, 183,
 &end
#
#    0 AMB  25-3:1453     0 AMB  25-1:1453   7.00    (#   1453:25  Double Ambig)
 &rst
  ixpk= 1453, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.11, r4=11.61,
 igr1= 546, 547, 546, 547,
 igr2= 182, 183, 182, 183,
 &end
#
#   34 GLU  HA            0 AMB  25-1:1455   5.50    (#   1455:25  Single Ambig)
 &rst
  ixpk= 1455, nxpk= 25, iat= 544,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 182, 183, 182, 183,
 &end
#
#   11 LYS  HN            0 AMB  25-1:1456   5.50    (#   1456:25  Single Ambig)
 &rst
  ixpk= 1456, nxpk= 25, iat= 169,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 182, 183, 182, 183,
 &end
#
#   14 THR  HN            0 AMB  25-1:1457   5.50    (#   1457:25  Single Ambig)
 &rst
  ixpk= 1457, nxpk= 25, iat= 224,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 182, 183, 182, 183,
 &end
#
#   13 ILE  HN           12 THR  HA          3.50    (#   1458:25  Preassigned    2.15, 2.16 A)
 &rst
  ixpk= 1458, nxpk= 25, iat= 205, 193, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    5 VAL  HN           12 THR  HA          4.50    (#   1459:25  Preassigned    4.69, 4.73 A)
 &rst
  ixpk= 1459, nxpk= 25, iat=  77, 193, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    6 LYS  HN           12 THR  HA          5.50    (#   1460:25  Preassigned    3.97, 4.02 A)
 &rst
  ixpk= 1460, nxpk= 25, iat=  93, 193, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    7 THR  HN           12 THR  HA          4.50    (#   1461:25  Preassigned    3.32, 3.43 A)
 &rst
  ixpk= 1461, nxpk= 25, iat= 115, 193, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 THR  HN           12 THR  HA          5.50    (#   1462:25  Preassigned    2.94, 2.95 A)
 &rst
  ixpk= 1462, nxpk= 25, iat= 191, 193, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    6 LYS  HA           12 THR  HA          3.50    (#   1463:25  Preassigned    1.86, 1.91 A)
 &rst
  ixpk= 1463, nxpk= 25, iat=  95, 193, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    5 VAL  HA           12 THR  HA          5.50    (#   1464:25  Preassigned    5.24, 5.27 A)
 &rst
  ixpk= 1464, nxpk= 25, iat=  79, 193, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 ILE  HA           12 THR  HA          4.50    (#   1465:25  Preassigned    4.40, 4.41 A)
 &rst
  ixpk= 1465, nxpk= 25, iat= 207, 193, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 THR  HB           12 THR  HA          4.50    (#   1466:25  Preassigned    2.98, 3.01 A)
 &rst
  ixpk= 1466, nxpk= 25, iat= 195, 193, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:1467    12 THR  HA          4.50    (#   1467:25  Single Ambig)
 &rst
  ixpk= 1467, nxpk= 25, iat=  -1, 193, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 209, 173, 174,
 &end
#
#    0 AMB  25-3:1468    12 THR  HA          4.50    (#   1468:25  Single Ambig)
 &rst
  ixpk= 1468, nxpk= 25, iat=  -1, 193, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 179, 180, 179, 180,  97,  98, 103, 104,
 &end
#
#    6 LYS  HG+          12 THR  HA          4.50    (#   1469:25  Unique         2.22, 3.29 A)
 &rst
  ixpk= 1469, nxpk= 25, iat=  -1, 193, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 100, 101,
 &end
#
#    6 LYS  HG-          12 THR  HA          4.50    (#   1470:25  Unique         2.22, 3.29 A)
 &rst
  ixpk= 1470, nxpk= 25, iat=  -1, 193, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 100, 101,
 &end
#
#   11 LYS  HG-          12 THR  HA          4.50    (#   1471:25  Unique         3.14, 4.12 A)
 &rst
  ixpk= 1471, nxpk= 25, iat=  -1, 193, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 176, 177,
 &end
#
#   12 THR  QG2          12 THR  HA          3.50    (#   1472:25  Preassigned    2.22, 2.96 A)
 &rst
  ixpk= 1472, nxpk= 25, iat=  -1, 193, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 197, 198, 199,
 &end
#
#   13 ILE  QG2          12 THR  HA          5.50    (#   1473:25  Preassigned    3.66, 4.50 A)
 &rst
  ixpk= 1473, nxpk= 25, iat=  -1, 193, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 211, 212, 213,
 &end
#
#    0 AMB  25-3:1474    12 THR  HA          4.50    (#   1474:25  Single Ambig)
 &rst
  ixpk= 1474, nxpk= 25, iat=  -1, 193, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=  83,  84,  85,  87,  88,  89,  83,  84,  85,  87,
        88,  89, 218, 219, 220,
 &end
#
#   13 ILE  HN           12 THR  HB          4.50    (#   1475:25  Preassigned    4.19, 4.26 A)
 &rst
  ixpk= 1475, nxpk= 25, iat= 205, 195, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    5 VAL  HN           12 THR  HB          7.00    (#   1476:25  Preassigned    6.04, 6.23 A)
 &rst
  ixpk= 1476, nxpk= 25, iat=  77, 195, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    6 LYS  HA           12 THR  HB          5.50    (#   1477:25  Preassigned    4.71, 4.79 A)
 &rst
  ixpk= 1477, nxpk= 25, iat=  95, 195, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 THR  HA           12 THR  HB          4.50    (#   1478:25  Preassigned    2.98, 3.01 A)
 &rst
  ixpk= 1478, nxpk= 25, iat= 193, 195, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:1479    12 THR  HB          4.50    (#   1479:25  Single Ambig)
 &rst
  ixpk= 1479, nxpk= 25, iat=  -1, 195, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 207, 171,
 &end
#
#    0 AMB  25-3:1480    12 THR  HB          5.50    (#   1480:25  Single Ambig)
 &rst
  ixpk= 1480, nxpk= 25, iat=  -1, 195, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  61,  62, 106, 107, 106, 107,
 &end
#
#    0 AMB  25-3:1481    12 THR  HB          5.50    (#   1481:25  Single Ambig)
 &rst
  ixpk= 1481, nxpk= 25, iat=  -1, 195, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 173, 174, 209,
 &end
#
#    0 AMB  25-3:1482    12 THR  HB          5.50    (#   1482:25  Single Ambig)
 &rst
  ixpk= 1482, nxpk= 25, iat=  -1, 195, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 103, 104, 103, 104, 179, 180, 179, 180,
 &end
#
#   11 LYS  HG+          12 THR  HB          5.50    (#   1483:25  Preassigned    4.65, 5.95 A)
 &rst
  ixpk= 1483, nxpk= 25, iat=  -1, 195, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 176, 177,
 &end
#
#    6 LYS  HN           12 THR  QG2         5.50    (#   1484:25  Preassigned    3.89, 4.64 A)
 &rst
  ixpk= 1484, nxpk= 25, iat=  93,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 197, 198, 199,
 &end
#
#    4 PHE  HN           12 THR  QG2         5.50    (#   1485:25  Preassigned    5.46, 5.83 A)
 &rst
  ixpk= 1485, nxpk= 25, iat=  57,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 197, 198, 199,
 &end
#
#   14 THR  HA           12 THR  QG2         4.50    (#   1487:25  Preassigned    4.40, 5.39 A)
 &rst
  ixpk= 1487, nxpk= 25, iat= 226,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 197, 198, 199,
 &end
#
#   13 ILE  HN           13 ILE  HA          4.50    (#   1489:25  Preassigned    2.94, 2.94 A)
 &rst
  ixpk= 1489, nxpk= 25, iat= 205, 207, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    5 VAL  HN           13 ILE  HA          5.50    (#   1490:25  Preassigned    4.78, 4.81 A)
 &rst
  ixpk= 1490, nxpk= 25, iat=  77, 207, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    6 LYS  HA           13 ILE  HA          7.00    (#   1491:25  Preassigned    5.74, 5.83 A)
 &rst
  ixpk= 1491, nxpk= 25, iat=  95, 207, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   12 THR  HA           13 ILE  HA          5.50    (#   1492:25  Preassigned    4.40, 4.41 A)
 &rst
  ixpk= 1492, nxpk= 25, iat= 193, 207, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   14 THR  HA           13 ILE  HA          5.50    (#   1493:25  Preassigned    4.42, 4.43 A)
 &rst
  ixpk= 1493, nxpk= 25, iat= 226, 207, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   14 THR  HB           13 ILE  HA          4.50    (#   1494:25  Preassigned    4.80, 4.80 A)
 &rst
  ixpk= 1494, nxpk= 25, iat= 228, 207, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    5 VAL  HB           13 ILE  HA          5.50    (#   1495:25  Preassigned    5.25, 5.33 A)
 &rst
  ixpk= 1495, nxpk= 25, iat=  81, 207, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 ILE  HB           13 ILE  HA          4.50    (#   1496:25  Preassigned    2.31, 2.31 A)
 &rst
  ixpk= 1496, nxpk= 25, iat= 209, 207, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:1497    13 ILE  HA          5.50    (#   1497:25  Single Ambig)
 &rst
  ixpk= 1497, nxpk= 25, iat=  -1, 207, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 530, 531, 530, 531,
 &end
#
#    0 AMB  25-3:1498    13 ILE  HA          5.50    (#   1498:25  Single Ambig)
 &rst
  ixpk= 1498, nxpk= 25, iat=  -1, 207, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 179, 180, 179, 180,
 &end
#
#   13 ILE  HG1+         13 ILE  HA          4.50    (#   1499:25  Preassigned    2.66, 3.05 A)
 &rst
  ixpk= 1499, nxpk= 25, iat=  -1, 207, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 215, 216,
 &end
#
#    5 VAL  HN           13 ILE  HB          5.50    (#   1500:25  Preassigned    5.46, 5.53 A)
 &rst
  ixpk= 1500, nxpk= 25, iat=  77, 209, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   14 THR  HN           13 ILE  HB          4.50    (#   1501:25  Preassigned    4.22, 4.27 A)
 &rst
  ixpk= 1501, nxpk= 25, iat= 224, 209, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:1502    13 ILE  HB          7.00    (#   1502:25  Single Ambig)
 &rst
  ixpk= 1502, nxpk= 25, iat=  -1, 209, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 191, 542, 238,
 &end
#
#    4 PHE  HA           13 ILE  HB          7.00    (#   1503:25  Preassigned    6.59, 6.67 A)
 &rst
  ixpk= 1503, nxpk= 25, iat=  59, 209, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    6 LYS  HA           13 ILE  HB          7.00    (#   1504:25  Preassigned    5.66, 5.85 A)
 &rst
  ixpk= 1504, nxpk= 25, iat=  95, 209, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  25-3:1505    13 ILE  HB          7.00    (#   1505:25  Single Ambig)
 &rst
  ixpk= 1505, nxpk= 25, iat=  -1, 209, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=  79, 240,
 &end
#
#   13 ILE  HA           13 ILE  HB          4.50    (#   1506:25  Preassigned    2.31, 2.31 A)
 &rst
  ixpk= 1506, nxpk= 25, iat= 207, 209, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:1507    13 ILE  HB          4.50    (#   1507:25  Single Ambig)
 &rst
  ixpk= 1507, nxpk= 25, iat=  -1, 209, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 179, 180, 179, 180,
 &end
#
#    0 AMB  25-3:1508    13 ILE  HB          4.50    (#   1508:25  Single Ambig)
 &rst
  ixpk= 1508, nxpk= 25, iat=  -1, 209, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 176, 177, 121, 122, 123,
 &end
#
#   13 ILE  HN           13 ILE  HG1+        4.50    (#   1509:25  Preassigned    4.27, 4.56 A)
 &rst
  ixpk= 1509, nxpk= 25, iat= 205,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 215, 216,
 &end
#
#    5 VAL  HN           13 ILE  HG1+        5.50    (#   1510:25  Preassigned    4.52, 5.23 A)
 &rst
  ixpk= 1510, nxpk= 25, iat=  77,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 215, 216,
 &end
#
#   44 ILE  HN           43 LEU  HG          5.50    (#   1511:25  Preassigned    3.20, 3.39 A)
 &rst
  ixpk= 1511, nxpk= 25, iat= 700, 688, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   14 THR  HN           13 ILE  HG1+        4.50    (#   1512:25  Unique         2.99, 3.80 A)
 &rst
  ixpk= 1512, nxpk= 25, iat= 224,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 215, 216,
 &end
#
#   43 LEU  HA           43 LEU  HG          4.50    (#   1513:25  Preassigned    2.68, 2.71 A)
 &rst
  ixpk= 1513, nxpk= 25, iat= 683, 688, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:1514     0 AMB  25-1:1514   5.50    (#   1514:25  Double Ambig)
 &rst
  ixpk= 1514, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1063, 193,
 igr2= 688, 215, 216,
 &end
#
#   13 ILE  HA           13 ILE  HG1+        3.50    (#   1515:25  Preassigned    2.66, 3.05 A)
 &rst
  ixpk= 1515, nxpk= 25, iat= 207,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 215, 216,
 &end
#
#    0 AMB  25-3:1516     0 AMB  25-1:1516   5.50    (#   1516:25  Double Ambig)
 &rst
  ixpk= 1516, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 228, 797,
 igr2= 215, 216, 688,
 &end
#
#   30 ILE  HA           13 ILE  HG1+        7.00    (#   1517:25  Preassigned    4.75, 5.20 A)
 &rst
  ixpk= 1517, nxpk= 25, iat= 474,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 215, 216,
 &end
#
#    0 AMB  25-3:1518     0 AMB  25-1:1518   5.50    (#   1518:25  Double Ambig)
 &rst
  ixpk= 1518, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 182, 183, 182, 183,
 igr2= 215, 216, 215, 216,
 &end
#
#   50 LEU  QD+          43 LEU  HG          5.50    (#   1519:25  Preassigned    3.09, 5.01 A)
 &rst
  ixpk= 1519, nxpk= 25, iat=  -1, 688, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 804, 805, 806, 808, 809, 810,
 &end
#
#    0 AMB  25-3:1520     0 AMB  25-1:1520   2.80    (#   1520:25  Double Ambig)
 &rst
  ixpk= 1520, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=1070,1071,1072,1074,1075,1076, 218, 219, 220,  83,
        84,  85,  87,  88,  89,  83,  84,  85,  87,  88,
        89,
 igr2= 688, 215, 216,
 &end
#
#    0 AMB  25-3:1521    43 LEU  HG          3.50    (#   1521:25  Single Ambig)
 &rst
  ixpk= 1521, nxpk= 25, iat=  -1, 688, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 690, 691, 692, 694, 695, 696, 690, 691, 692, 694,
       695, 696,
 &end
#
#   15 LEU  HB+          13 ILE  HG1+        3.50    (#   1522:25  Unique         3.56, 4.75 A)
 &rst
  ixpk= 1522, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 242, 243,
 igr2= 215, 216,
 &end
#
#   13 ILE  HB           13 ILE  HG1+        3.50    (#   1523:25  Preassigned    2.24, 2.52 A)
 &rst
  ixpk= 1523, nxpk= 25, iat= 209,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 215, 216,
 &end
#
#   13 ILE  QD1          13 ILE  HG1-        2.80    (#   1524:25  Unique         2.37, 2.62 A)
 &rst
  ixpk= 1524, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 218, 219, 220,
 igr2= 215, 216,
 &end
#
#    0 AMB  25-3:1525     0 AMB  25-1:1525   3.50    (#   1525:25  Double Ambig)
 &rst
  ixpk= 1525, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1141,1142,1143,1145,1146,1147, 211, 212, 213,
 igr2= 574, 575, 215, 216,
 &end
#
#   15 LEU  HB+          13 ILE  HG1-        4.50    (#   1526:25  Unique         3.56, 4.75 A)
 &rst
  ixpk= 1526, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 242, 243,
 igr2= 215, 216,
 &end
#
#    0 AMB  25-3:1527    13 ILE  HG1-        3.50    (#   1527:25  Single Ambig)
 &rst
  ixpk= 1527, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 527, 528, 527, 528, 179, 180,
 igr2= 215, 216,
 &end
#
#   13 ILE  HB           13 ILE  HG1-        3.50    (#   1528:25  Preassigned    2.24, 2.52 A)
 &rst
  ixpk= 1528, nxpk= 25, iat= 209,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 215, 216,
 &end
#
#    0 AMB  25-3:1529     0 AMB  25-1:1529   4.50    (#   1529:25  Double Ambig)
 &rst
  ixpk= 1529, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 549, 550, 549, 550, 587, 588,
 igr2= 215, 216, 574, 575, 574, 575,
 &end
#
#    5 VAL  HB           13 ILE  HG1-        4.50    (#   1530:25  Preassigned    4.45, 4.84 A)
 &rst
  ixpk= 1530, nxpk= 25, iat=  81,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 215, 216,
 &end
#
#   34 GLU  HG-           0 AMB  25-1:1531   4.50    (#   1531:25  Single Ambig)
 &rst
  ixpk= 1531, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 549, 550,
 igr2= 215, 216, 574, 575,
 &end
#
#    0 AMB  25-3:1532    13 ILE  HG1-        4.50    (#   1532:25  Single Ambig)
 &rst
  ixpk= 1532, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 182, 183, 182, 183,
 igr2= 215, 216,
 &end
#
#    0 AMB  25-3:1533    13 ILE  HG1-        5.50    (#   1533:25  Single Ambig)
 &rst
  ixpk= 1533, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 533, 534, 533, 534,
 igr2= 215, 216,
 &end
#
#    0 AMB  25-3:1534     0 AMB  25-1:1534   3.50    (#   1534:25  Double Ambig)
 &rst
  ixpk= 1534, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 566, 207,
 igr2= 574, 575, 215, 216,
 &end
#
#   12 THR  HA           13 ILE  HG1-        7.00    (#   1535:25  Preassigned    6.30, 6.60 A)
 &rst
  ixpk= 1535, nxpk= 25, iat= 193,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 215, 216,
 &end
#
#    0 AMB  25-3:1536     0 AMB  25-1:1536   7.00    (#   1536:25  Double Ambig)
 &rst
  ixpk= 1536, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
 igr1= 238, 542,
 igr2= 215, 216, 574, 575,
 &end
#
#   14 THR  HN           13 ILE  HG1-        5.50    (#   1537:25  Preassigned    2.99, 3.80 A)
 &rst
  ixpk= 1537, nxpk= 25, iat= 224,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 215, 216,
 &end
#
#    5 VAL  HN           13 ILE  HG1-        5.50    (#   1538:25  Preassigned    4.52, 5.23 A)
 &rst
  ixpk= 1538, nxpk= 25, iat=  77,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 215, 216,
 &end
#
#   13 ILE  HN           13 ILE  HG1-        4.50    (#   1539:25  Preassigned    4.27, 4.56 A)
 &rst
  ixpk= 1539, nxpk= 25, iat= 205,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 215, 216,
 &end
#
#   14 THR  HB           13 ILE  QG2         7.00    (#   1540:25  Unique         6.97, 7.63 A)
 &rst
  ixpk= 1540, nxpk= 25, iat= 228,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 211, 212, 213,
 &end
#
#   14 THR  HA           13 ILE  QG2         5.50    (#   1541:25  Preassigned    4.83, 5.77 A)
 &rst
  ixpk= 1541, nxpk= 25, iat= 226,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 211, 212, 213,
 &end
#
#   12 THR  HA           13 ILE  QG2         5.50    (#   1542:25  Preassigned    3.66, 4.50 A)
 &rst
  ixpk= 1542, nxpk= 25, iat= 193,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 211, 212, 213,
 &end
#
#    7 THR  HA           13 ILE  QG2         7.00    (#   1543:25  Preassigned    5.18, 5.80 A)
 &rst
  ixpk= 1543, nxpk= 25, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 211, 212, 213,
 &end
#
#    6 LYS  HA           13 ILE  QG2         5.50    (#   1544:25  Preassigned    3.64, 4.60 A)
 &rst
  ixpk= 1544, nxpk= 25, iat=  95,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 211, 212, 213,
 &end
#
#   33 LYS  HN           13 ILE  QG2         5.50    (#   1545:25  Unique         6.01, 7.05 A)
 &rst
  ixpk= 1545, nxpk= 25, iat= 520,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 211, 212, 213,
 &end
#
#   34 GLU  HA           13 ILE  QD1         5.50    (#   1546:25  Preassigned    5.47, 6.53 A)
 &rst
  ixpk= 1546, nxpk= 25, iat= 544,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 218, 219, 220,
 &end
#
#    6 LYS  HA           13 ILE  QD1         7.00    (#   1547:25  Unique         6.41, 7.24 A)
 &rst
  ixpk= 1547, nxpk= 25, iat=  95,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 218, 219, 220,
 &end
#
#   31 GLN  HN           13 ILE  QD1         5.50    (#   1548:25  Preassigned    6.28, 6.88 A)
 &rst
  ixpk= 1548, nxpk= 25, iat= 491,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 218, 219, 220,
 &end
#
#    3 ILE  QD1          14 THR  HA          5.50    (#   1549:25  Preassigned    5.31, 6.20 A)
 &rst
  ixpk= 1549, nxpk= 25, iat=  -1, 226, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  51,  52,  53,
 &end
#
#    0 AMB  25-3:1550    14 THR  HA          5.50    (#   1550:25  Single Ambig)
 &rst
  ixpk= 1550, nxpk= 25, iat=  -1, 226, r1= 1.30, r2= 1.80, r3= 9.14, r4= 9.64,
 igr1=  83,  84,  85,  87,  88,  89,  83,  84,  85,  87,
        88,  89, 247, 248, 249, 251, 252, 253, 218, 219,
       220,
 &end
#
#   14 THR  QG2          14 THR  HA          3.50    (#   1551:25  Preassigned    2.33, 3.01 A)
 &rst
  ixpk= 1551, nxpk= 25, iat=  -1, 226, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 230, 231, 232,
 &end
#
#   14 THR  HB           14 THR  HA          4.50    (#   1552:25  Preassigned    3.02, 3.02 A)
 &rst
  ixpk= 1552, nxpk= 25, iat= 228, 226, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    4 PHE  HA           14 THR  HA          3.50    (#   1553:25  Preassigned    2.07, 2.12 A)
 &rst
  ixpk= 1553, nxpk= 25, iat=  59, 226, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   15 LEU  HN           14 THR  HA          3.50    (#   1554:25  Preassigned    2.15, 2.16 A)
 &rst
  ixpk= 1554, nxpk= 25, iat= 238, 226, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    5 VAL  HN           14 THR  HA          4.50    (#   1555:25  Preassigned    2.82, 2.89 A)
 &rst
  ixpk= 1555, nxpk= 25, iat=  77, 226, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   13 ILE  QD1          14 THR  HB          5.50    (#   1556:25  Unique         6.46, 6.96 A)
 &rst
  ixpk= 1556, nxpk= 25, iat=  -1, 228, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 218, 219, 220,
 &end
#
#   15 LEU  HG           14 THR  HB          7.00    (#   1557:25  Preassigned    6.60, 6.68 A)
 &rst
  ixpk= 1557, nxpk= 25, iat= 245, 228, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    2 GLN  HG-          14 THR  HB          5.50    (#   1558:25  Preassigned    4.14, 4.55 A)
 &rst
  ixpk= 1558, nxpk= 25, iat=  -1, 228, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  28,  29,
 &end
#
#    2 GLN  HG+          14 THR  HB          5.50    (#   1559:25  Preassigned    4.14, 4.55 A)
 &rst
  ixpk= 1559, nxpk= 25, iat=  -1, 228, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  28,  29,
 &end
#
#   13 ILE  HA           14 THR  HB          4.50    (#   1560:25  Preassigned    4.80, 4.80 A)
 &rst
  ixpk= 1560, nxpk= 25, iat= 207, 228, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   14 THR  HA           14 THR  HB          4.50    (#   1562:25  Preassigned    3.02, 3.02 A)
 &rst
  ixpk= 1562, nxpk= 25, iat= 226, 228, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    4 PHE  HA           14 THR  HB          5.50    (#   1563:25  Preassigned    4.49, 4.55 A)
 &rst
  ixpk= 1563, nxpk= 25, iat=  59, 228, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    4 PHE  HE2          14 THR  HB          5.50    (#   1564:25  Unique         4.49, 4.60 A)
 &rst
  ixpk= 1564, nxpk= 25, iat=  71, 228, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 LEU  HN           14 THR  HB          4.50    (#   1565:25  Preassigned    4.02, 4.07 A)
 &rst
  ixpk= 1565, nxpk= 25, iat= 238, 228, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:1566    14 THR  QG2         5.50    (#   1566:25  Single Ambig)
 &rst
  ixpk= 1566, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.37, r4=10.87,
 igr1= 247, 248, 249, 251, 252, 253, 247, 248, 249, 251,
       252, 253, 218, 219, 220,
 igr2= 230, 231, 232,
 &end
#
#   13 ILE  HG1+         14 THR  QG2         5.50    (#   1567:25  Preassigned    6.00, 7.25 A)
 &rst
  ixpk= 1567, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 215, 216,
 igr2= 230, 231, 232,
 &end
#
#    2 GLN  HB+          14 THR  QG2         3.50    (#   1568:25  Preassigned    2.30, 3.76 A)
 &rst
  ixpk= 1568, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  25,  26,
 igr2= 230, 231, 232,
 &end
#
#    2 GLN  HG-          14 THR  QG2         3.50    (#   1569:25  Preassigned    2.12, 2.59 A)
 &rst
  ixpk= 1569, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  28,  29,
 igr2= 230, 231, 232,
 &end
#
#   56 LEU  HB+          55 THR  QG2         5.50    (#   1570:25  Preassigned    5.51, 6.98 A)
 &rst
  ixpk= 1570, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 890, 891,
 igr2= 878, 879, 880,
 &end
#
#    2 GLN  HG+          14 THR  QG2         3.50    (#   1571:25  Preassigned    2.12, 2.59 A)
 &rst
  ixpk= 1571, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  28,  29,
 igr2= 230, 231, 232,
 &end
#
#    4 PHE  HB-          14 THR  QG2         5.50    (#   1572:25  Preassigned    4.29, 5.59 A)
 &rst
  ixpk= 1572, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  61,  62,
 igr2= 230, 231, 232,
 &end
#
#   14 THR  HB           14 THR  QG2         2.80    (#   1573:25  Preassigned    2.38, 2.64 A)
 &rst
  ixpk= 1573, nxpk= 25, iat= 228,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 230, 231, 232,
 &end
#
#   15 LEU  HA           14 THR  QG2         4.50    (#   1574:25  Preassigned    3.93, 4.92 A)
 &rst
  ixpk= 1574, nxpk= 25, iat= 240,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 230, 231, 232,
 &end
#
#   14 THR  HA           14 THR  QG2         3.50    (#   1575:25  Preassigned    2.33, 3.01 A)
 &rst
  ixpk= 1575, nxpk= 25, iat= 226,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 230, 231, 232,
 &end
#
#    2 GLN  HA           14 THR  QG2         4.50    (#   1576:25  Preassigned    4.32, 4.99 A)
 &rst
  ixpk= 1576, nxpk= 25, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 230, 231, 232,
 &end
#
#    4 PHE  HA           14 THR  QG2         4.50    (#   1577:25  Preassigned    2.96, 3.97 A)
 &rst
  ixpk= 1577, nxpk= 25, iat=  59,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 230, 231, 232,
 &end
#
#    2 GLN  HE2-         14 THR  QG2         4.50    (#   1578:25  Preassigned    4.73, 5.47 A)
 &rst
  ixpk= 1578, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  33,  34,
 igr2= 230, 231, 232,
 &end
#
#    4 PHE  HD2          14 THR  QG2         3.50    (#   1579:25  Preassigned    1.98, 2.64 A)
 &rst
  ixpk= 1579, nxpk= 25, iat=  73,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 230, 231, 232,
 &end
#
#    4 PHE  HE2          14 THR  QG2         3.50    (#   1580:25  Preassigned    2.15, 3.05 A)
 &rst
  ixpk= 1580, nxpk= 25, iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 230, 231, 232,
 &end
#
#   65 SER  HN           14 THR  QG2         5.50    (#   1581:25  Unique         5.51, 6.35 A)
 &rst
  ixpk= 1581, nxpk= 25, iat=1036,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 230, 231, 232,
 &end
#
#   15 LEU  HN           14 THR  QG2         3.50    (#   1582:25  Unique         2.91, 3.48 A)
 &rst
  ixpk= 1582, nxpk= 25, iat= 238,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 230, 231, 232,
 &end
#
#   14 THR  HN           14 THR  QG2         4.50    (#   1583:25  Preassigned    4.44, 4.57 A)
 &rst
  ixpk= 1583, nxpk= 25, iat= 224,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 230, 231, 232,
 &end
#
#   64 GLU  HB-          14 THR  QG2         5.50    (#   1584:25  Unique         6.70, 7.71 A)
 &rst
  ixpk= 1584, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1025,1026,
 igr2= 230, 231, 232,
 &end
#
#    0 AMB  25-3:1586    55 THR  QG2         5.50    (#   1586:25  Single Ambig)
 &rst
  ixpk= 1586, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 321, 322, 909, 910,
 igr2= 878, 879, 880,
 &end
#
#   16 GLU  HN           14 THR  QG2         5.50    (#   1587:25  Unique         4.67, 5.76 A)
 &rst
  ixpk= 1587, nxpk= 25, iat= 257,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 230, 231, 232,
 &end
#
#    5 VAL  HN           14 THR  QG2         5.50    (#   1588:25  Preassigned    4.63, 5.59 A)
 &rst
  ixpk= 1588, nxpk= 25, iat=  77,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 230, 231, 232,
 &end
#
#   15 LEU  HN           15 LEU  HB-         4.50    (#   1589:25  Preassigned    2.83, 3.36 A)
 &rst
  ixpk= 1589, nxpk= 25, iat= 238,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 242, 243,
 &end
#
#    3 ILE  HN           15 LEU  HB-         5.50    (#   1590:25  Preassigned    4.88, 5.09 A)
 &rst
  ixpk= 1590, nxpk= 25, iat=  38,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 242, 243,
 &end
#
#   16 GLU  HN           15 LEU  HB-         4.50    (#   1591:25  Preassigned    3.12, 3.73 A)
 &rst
  ixpk= 1591, nxpk= 25, iat= 257,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 242, 243,
 &end
#
#    2 GLN  HA           15 LEU  HB-         5.50    (#   1592:25  Preassigned    5.83, 6.14 A)
 &rst
  ixpk= 1592, nxpk= 25, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 242, 243,
 &end
#
#   14 THR  HA           15 LEU  HB-         5.50    (#   1593:25  Preassigned    4.24, 4.94 A)
 &rst
  ixpk= 1593, nxpk= 25, iat= 226,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 242, 243,
 &end
#
#   15 LEU  HA           15 LEU  HB-         4.50    (#   1594:25  Preassigned    2.30, 2.44 A)
 &rst
  ixpk= 1594, nxpk= 25, iat= 240,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 242, 243,
 &end
#
#   29 LYS  HB+          15 LEU  HB-         7.00    (#   1595:25  Preassigned    3.35, 4.08 A)
 &rst
  ixpk= 1595, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 454, 455,
 igr2= 242, 243,
 &end
#
#    0 AMB  25-3:1596    15 LEU  HB-         5.50    (#   1596:25  Single Ambig)
 &rst
  ixpk= 1596, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 454, 455,  81,
 igr2= 242, 243,
 &end
#
#    0 AMB  25-3:1597    15 LEU  HB-         5.50    (#   1597:25  Single Ambig)
 &rst
  ixpk= 1597, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 460, 461, 457, 458, 261, 262,
 igr2= 242, 243,
 &end
#
#    0 AMB  25-3:1598    15 LEU  HB-         5.50    (#   1598:25  Single Ambig)
 &rst
  ixpk= 1598, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 527, 528, 527, 528, 457, 458,
 igr2= 242, 243,
 &end
#
#    3 ILE  HG1+         15 LEU  HB-         4.50    (#   1599:25  Preassigned    4.39, 5.35 A)
 &rst
  ixpk= 1599, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  48,  49,
 igr2= 242, 243,
 &end
#
#    0 AMB  25-3:1600    15 LEU  HB-         3.50    (#   1600:25  Single Ambig)
 &rst
  ixpk= 1600, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 247, 248, 249, 251, 252, 253, 247, 248, 249, 251,
       252, 253, 218, 219, 220,
 igr2= 242, 243,
 &end
#
#    3 ILE  QD1          15 LEU  HB-         4.50    (#   1601:25  Unique         4.63, 5.52 A)
 &rst
  ixpk= 1601, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  51,  52,  53,
 igr2= 242, 243,
 &end
#
#   17 VAL  QG+          15 LEU  HB-         5.50    (#   1602:25  Preassigned    4.08, 5.56 A)
 &rst
  ixpk= 1602, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 278, 279, 280, 282, 283, 284,
 igr2= 242, 243,
 &end
#
#   17 VAL  HN           15 LEU  HB+         7.00    (#   1603:25  Preassigned    5.71, 6.32 A)
 &rst
  ixpk= 1603, nxpk= 25, iat= 272,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 242, 243,
 &end
#
#   15 LEU  HN           15 LEU  HB+         4.50    (#   1604:25  Preassigned    2.83, 3.36 A)
 &rst
  ixpk= 1604, nxpk= 25, iat= 238,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 242, 243,
 &end
#
#    3 ILE  HN           15 LEU  HB+         5.50    (#   1605:25  Preassigned    4.88, 5.09 A)
 &rst
  ixpk= 1605, nxpk= 25, iat=  38,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 242, 243,
 &end
#
#   16 GLU  HN           15 LEU  HB+         4.50    (#   1606:25  Preassigned    3.12, 3.73 A)
 &rst
  ixpk= 1606, nxpk= 25, iat= 257,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 242, 243,
 &end
#
#    0 AMB  25-3:1607     0 AMB  25-1:1607   5.50    (#   1607:25  Double Ambig)
 &rst
  ixpk= 1607, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 226, 259,
 igr2= 242, 243, 242, 243,
 &end
#
#   15 LEU  HA           15 LEU  HB+         3.50    (#   1608:25  Preassigned    2.30, 2.44 A)
 &rst
  ixpk= 1608, nxpk= 25, iat= 240,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 242, 243,
 &end
#
#   29 LYS  HB+          15 LEU  HB+         5.50    (#   1609:25  Preassigned    3.35, 4.08 A)
 &rst
  ixpk= 1609, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 454, 455,
 igr2= 242, 243,
 &end
#
#    0 AMB  25-3:1610     0 AMB  25-1:1610   4.50    (#   1610:25  Double Ambig)
 &rst
  ixpk= 1610, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 454, 455,  81,
 igr2= 242, 243, 242, 243,
 &end
#
#    0 AMB  25-3:1611     0 AMB  25-1:1611   4.50    (#   1611:25  Double Ambig)
 &rst
  ixpk= 1611, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 460, 461, 457, 458, 261, 262,
 igr2= 242, 243, 242, 243, 242, 243,
 &end
#
#    0 AMB  25-3:1612     0 AMB  25-1:1612   5.50    (#   1612:25  Double Ambig)
 &rst
  ixpk= 1612, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 527, 528, 527, 528, 457, 458,
 igr2= 242, 243, 242, 243, 242, 243,
 &end
#
#    3 ILE  HG1+         15 LEU  HB+         4.50    (#   1613:25  Preassigned    4.39, 5.35 A)
 &rst
  ixpk= 1613, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  48,  49,
 igr2= 242, 243,
 &end
#
#    3 ILE  QD1          15 LEU  HB+         4.50    (#   1614:25  Unique         4.63, 5.52 A)
 &rst
  ixpk= 1614, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  51,  52,  53,
 igr2= 242, 243,
 &end
#
#   17 VAL  QG+          15 LEU  HB+         5.50    (#   1615:25  Preassigned    4.08, 5.56 A)
 &rst
  ixpk= 1615, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 278, 279, 280, 282, 283, 284,
 igr2= 242, 243,
 &end
#
#    0 AMB  25-3:1616     0 AMB  25-1:1616   2.80    (#   1616:25  Double Ambig)
 &rst
  ixpk= 1616, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 247, 248, 249, 251, 252, 253, 247, 248, 249, 251,
       252, 253, 218, 219, 220,
 igr2= 242, 243, 242, 243, 242, 243,
 &end
#
#   69 LEU  HA           43 LEU  HG          5.50    (#   1617:25  Preassigned    4.14, 4.29 A)
 &rst
  ixpk= 1617, nxpk= 25, iat=1099, 688, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   27 LYS  HE-          43 LEU  HG          5.50    (#   1618:25  Preassigned    3.96, 4.51 A)
 &rst
  ixpk= 1618, nxpk= 25, iat=  -1, 688, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 431, 432,
 &end
#
#    0 AMB  25-3:1619    56 LEU  QD-         2.80    (#   1619:25  Single Ambig)
 &rst
  ixpk= 1619, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr1= 976, 977, 978, 969, 970, 971, 278, 279, 280, 282,
       283, 284,
 igr2= 895, 896, 897, 899, 900, 901,
 &end
#
#   26 VAL  QG+          56 LEU  QD-         3.50    (#   1620:25  Preassigned    1.98, 4.58 A)
 &rst
  ixpk= 1620, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 408, 409, 410, 412, 413, 414,
 igr2= 895, 896, 897, 899, 900, 901,
 &end
#
#   56 LEU  HB-          56 LEU  QD-         3.50    (#   1621:25  Preassigned    2.23, 3.32 A)
 &rst
  ixpk= 1621, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 890, 891,
 igr2= 895, 896, 897, 899, 900, 901,
 &end
#
#   56 LEU  HG           56 LEU  QD-         3.50    (#   1622:25  Preassigned    2.21, 2.63 A)
 &rst
  ixpk= 1622, nxpk= 25, iat= 893,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 895, 896, 897, 899, 900, 901,
 &end
#
#   56 LEU  HB+          56 LEU  QD-         3.50    (#   1623:25  Preassigned    2.23, 3.32 A)
 &rst
  ixpk= 1623, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 890, 891,
 igr2= 895, 896, 897, 899, 900, 901,
 &end
#
#    0 AMB  25-3:1624    56 LEU  QD-         3.50    (#   1624:25  Single Ambig)
 &rst
  ixpk= 1624, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 276, 406,
 igr2= 895, 896, 897, 899, 900, 901,
 &end
#
#   21 ASP  HB+          56 LEU  QD-         4.50    (#   1625:25  Preassigned    3.12, 5.36 A)
 &rst
  ixpk= 1625, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 332, 333,
 igr2= 895, 896, 897, 899, 900, 901,
 &end
#
#   21 ASP  HB-          56 LEU  QD-         4.50    (#   1626:25  Preassigned    3.12, 5.36 A)
 &rst
  ixpk= 1626, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 332, 333,
 igr2= 895, 896, 897, 899, 900, 901,
 &end
#
#    0 AMB  25-3:1627    56 LEU  QD-         4.50    (#   1627:25  Single Ambig)
 &rst
  ixpk= 1627, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 888, 313,
 igr2= 895, 896, 897, 899, 900, 901,
 &end
#
#   55 THR  HB           56 LEU  QD-         4.50    (#   1628:25  Preassigned    5.25, 6.37 A)
 &rst
  ixpk= 1628, nxpk= 25, iat= 876,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 895, 896, 897, 899, 900, 901,
 &end
#
#    0 AMB  25-3:1629    56 LEU  QD-         4.50    (#   1629:25  Single Ambig)
 &rst
  ixpk= 1629, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 274, 330,
 igr2= 895, 896, 897, 899, 900, 901,
 &end
#
#   55 THR  HA           56 LEU  QD-         4.50    (#   1630:25  Preassigned    4.03, 5.94 A)
 &rst
  ixpk= 1630, nxpk= 25, iat= 874,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 895, 896, 897, 899, 900, 901,
 &end
#
#   21 ASP  HN           56 LEU  QD-         4.50    (#   1631:25  Preassigned    3.98, 5.41 A)
 &rst
  ixpk= 1631, nxpk= 25, iat= 328,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 895, 896, 897, 899, 900, 901,
 &end
#
#   56 LEU  HN           56 LEU  QD-         3.50    (#   1632:25  Preassigned    2.83, 4.14 A)
 &rst
  ixpk= 1632, nxpk= 25, iat= 886,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 895, 896, 897, 899, 900, 901,
 &end
#
#   57 SER  HN           56 LEU  QD-         4.50    (#   1633:25  Preassigned    4.73, 5.48 A)
 &rst
  ixpk= 1633, nxpk= 25, iat= 905,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 895, 896, 897, 899, 900, 901,
 &end
#
#   18 GLU  HN           56 LEU  QD-         4.50    (#   1634:25  Preassigned    3.39, 5.63 A)
 &rst
  ixpk= 1634, nxpk= 25, iat= 288,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 895, 896, 897, 899, 900, 901,
 &end
#
#   17 VAL  HN           56 LEU  QD-         5.50    (#   1635:25  Preassigned    5.31, 7.02 A)
 &rst
  ixpk= 1635, nxpk= 25, iat= 272,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 895, 896, 897, 899, 900, 901,
 &end
#
#    0 AMB  25-3:1636    56 LEU  QD-         5.50    (#   1636:25  Single Ambig)
 &rst
  ixpk= 1636, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 404, 965,
 igr2= 895, 896, 897, 899, 900, 901,
 &end
#
#    0 AMB  25-3:1637     0 AMB  25-1:1637   2.80    (#   1637:25  Double Ambig)
 &rst
  ixpk= 1637, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 763, 764, 763, 764, 763, 764,
 igr2= 766, 767, 766, 767, 766, 767,
 &end
#
#    0 AMB  25-3:1638     0 AMB  25-1:1638   3.50    (#   1638:25  Double Ambig)
 &rst
  ixpk= 1638, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 769, 770, 769, 770, 769, 770,
 igr2= 766, 767, 766, 767, 766, 767,
 &end
#
#   48 LYS  HA            0 AMB  25-1:1639   4.50    (#   1639:25  Single Ambig)
 &rst
  ixpk= 1639, nxpk= 25, iat= 758,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 766, 767, 766, 767,
 &end
#
#   59 TYR  HE2           0 AMB  25-1:1640   4.50    (#   1640:25  Single Ambig)
 &rst
  ixpk= 1640, nxpk= 25, iat= 943,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 766, 767, 766, 767,
 &end
#
#   59 TYR  HD2           0 AMB  25-1:1641   4.50    (#   1641:25  Single Ambig)
 &rst
  ixpk= 1641, nxpk= 25, iat= 945,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 766, 767, 766, 767,
 &end
#
#   50 LEU  QD-           0 AMB  25-1:1642   5.50    (#   1642:25  Single Ambig)
 &rst
  ixpk= 1642, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 804, 805, 806, 808, 809, 810,
 igr2= 766, 767, 766, 767,
 &end
#
#   46 ALA  QB            0 AMB  25-1:1643   5.50    (#   1643:25  Single Ambig)
 &rst
  ixpk= 1643, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 743, 744, 745,
 igr2= 766, 767, 766, 767,
 &end
#
#   48 LYS  HN            0 AMB  25-1:1644   4.50    (#   1644:25  Single Ambig)
 &rst
  ixpk= 1644, nxpk= 25, iat= 756,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 766, 767, 766, 767,
 &end
#
#   49 GLN  HN            0 AMB  25-1:1645   5.50    (#   1645:25  Single Ambig)
 &rst
  ixpk= 1645, nxpk= 25, iat= 778,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 766, 767, 766, 767,
 &end
#
#   45 PHE  HD2           0 AMB  25-1:1646   7.00    (#   1646:25  Single Ambig)
 &rst
  ixpk= 1646, nxpk= 25, iat= 735,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr2= 766, 767, 766, 767,
 &end
#
#   50 LEU  HA            0 AMB  25-1:1647   7.00    (#   1647:25  Single Ambig)
 &rst
  ixpk= 1647, nxpk= 25, iat= 797,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr2= 766, 767, 766, 767,
 &end
#
#    0 AMB  25-3:1648     0 AMB  25-1:1648   7.00    (#   1648:25  Double Ambig)
 &rst
  ixpk= 1648, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=13.34, r4=13.84,
 igr1= 804, 805, 806, 808, 809, 810, 804, 805, 806, 808,
       809, 810,
 igr2= 766, 767, 766, 767,
 &end
#
#   17 VAL  QG+          16 GLU  HG-         5.50    (#   1649:25  Preassigned    5.70, 7.27 A)
 &rst
  ixpk= 1649, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 278, 279, 280, 282, 283, 284,
 igr2= 264, 265,
 &end
#
#   17 VAL  QG-          16 GLU  HG-         5.50    (#   1651:25  Preassigned    5.70, 7.27 A)
 &rst
  ixpk= 1651, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 278, 279, 280, 282, 283, 284,
 igr2= 264, 265,
 &end
#
#   15 LEU  HB+          16 GLU  HG-         5.50    (#   1652:25  Preassigned    6.36, 7.11 A)
 &rst
  ixpk= 1652, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 242, 243,
 igr2= 264, 265,
 &end
#
#   15 LEU  HA           16 GLU  HG-         4.50    (#   1653:25  Preassigned    4.77, 5.27 A)
 &rst
  ixpk= 1653, nxpk= 25, iat= 240,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 264, 265,
 &end
#
#    2 GLN  HA           16 GLU  HG-         5.50    (#   1654:25  Preassigned    3.35, 3.83 A)
 &rst
  ixpk= 1654, nxpk= 25, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 264, 265,
 &end
#
#   16 GLU  HN           16 GLU  HG-         4.50    (#   1655:25  Preassigned    3.29, 3.70 A)
 &rst
  ixpk= 1655, nxpk= 25, iat= 257,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 264, 265,
 &end
#
#    0 AMB  25-3:1656    16 GLU  HG-         4.50    (#   1656:25  Single Ambig)
 &rst
  ixpk= 1656, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 272,  21,
 igr2= 264, 265,
 &end
#
#   17 VAL  QG+          16 GLU  HG+         5.50    (#   1657:25  Preassigned    5.70, 7.27 A)
 &rst
  ixpk= 1657, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 278, 279, 280, 282, 283, 284,
 igr2= 264, 265,
 &end
#
#   17 VAL  QG-          16 GLU  HG+         5.50    (#   1658:25  Preassigned    5.70, 7.27 A)
 &rst
  ixpk= 1658, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 278, 279, 280, 282, 283, 284,
 igr2= 264, 265,
 &end
#
#   14 THR  QG2          16 GLU  HG+         5.50    (#   1659:25  Unique         4.59, 5.85 A)
 &rst
  ixpk= 1659, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 230, 231, 232,
 igr2= 264, 265,
 &end
#
#    2 GLN  HB+          16 GLU  HG+         4.50    (#   1660:25  Preassigned    2.21, 2.86 A)
 &rst
  ixpk= 1660, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  25,  26,
 igr2= 264, 265,
 &end
#
#   15 LEU  HA           16 GLU  HG+         4.50    (#   1661:25  Preassigned    4.77, 5.27 A)
 &rst
  ixpk= 1661, nxpk= 25, iat= 240,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 264, 265,
 &end
#
#    2 GLN  HA           16 GLU  HG+         5.50    (#   1662:25  Preassigned    3.35, 3.83 A)
 &rst
  ixpk= 1662, nxpk= 25, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 264, 265,
 &end
#
#   16 GLU  HN           16 GLU  HG+         4.50    (#   1663:25  Preassigned    3.29, 3.70 A)
 &rst
  ixpk= 1663, nxpk= 25, iat= 257,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 264, 265,
 &end
#
#    0 AMB  25-3:1665     0 AMB  25-1:1665   4.50    (#   1665:25  Double Ambig)
 &rst
  ixpk= 1665, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 272,  21,
 igr2= 264, 265, 264, 265,
 &end
#
#    0 AMB  25-3:1666     0 AMB  25-1:1666   4.50    (#   1666:25  Double Ambig)
 &rst
  ixpk= 1666, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 769, 770, 769, 770, 463, 464,
 igr2= 930, 274,
 &end
#
#   16 GLU  HA           17 VAL  HA          4.50    (#   1667:25  Preassigned    4.39, 4.39 A)
 &rst
  ixpk= 1667, nxpk= 25, iat= 259, 274, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   17 VAL  HN           17 VAL  HA          4.50    (#   1668:25  Preassigned    2.90, 2.91 A)
 &rst
  ixpk= 1668, nxpk= 25, iat= 272, 274, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:1669    17 VAL  HA          5.50    (#   1669:25  Single Ambig)
 &rst
  ixpk= 1669, nxpk= 25, iat=  -1, 274, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 460, 461, 457, 458,
 &end
#
#    0 AMB  25-3:1670    17 VAL  HA          5.50    (#   1670:25  Single Ambig)
 &rst
  ixpk= 1670, nxpk= 25, iat=  -1, 274, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 292, 293, 457, 458,
 &end
#
#   54 ARG  HG-          51 GLU  HG-         3.50    (#   1671:25  Unique         1.80, 2.86 A)
 &rst
  ixpk= 1671, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 855, 856,
 igr2= 821, 822,
 &end
#
#   54 ARG  HG+          51 GLU  HG-         4.50    (#   1672:25  Preassigned    1.80, 2.86 A)
 &rst
  ixpk= 1672, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 855, 856,
 igr2= 821, 822,
 &end
#
#   27 LYS  HE-          30 ILE  HB          7.00    (#   1673:25  Preassigned    6.06, 6.34 A)
 &rst
  ixpk= 1673, nxpk= 25, iat=  -1, 476, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 431, 432,
 &end
#
#   30 ILE  HA           30 ILE  HB          4.50    (#   1674:25  Preassigned    3.01, 3.01 A)
 &rst
  ixpk= 1674, nxpk= 25, iat= 474, 476, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 GLY  HA-          51 GLU  HG-         4.50    (#   1675:25  Unique         2.52, 3.83 A)
 &rst
  ixpk= 1675, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 843, 844,
 igr2= 821, 822,
 &end
#
#    0 AMB  25-3:1676     0 AMB  25-1:1676   7.00    (#   1676:25  Double Ambig)
 &rst
  ixpk= 1676, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.10, r4=10.60,
 igr1= 938, 397, 398,
 igr2= 821, 822, 276,
 &end
#
#   52 ASP  HN           51 GLU  HG-         4.50    (#   1677:25  Preassigned    3.67, 4.08 A)
 &rst
  ixpk= 1677, nxpk= 25, iat= 829,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 821, 822,
 &end
#
#   51 GLU  HN           51 GLU  HG-         4.50    (#   1678:25  Preassigned    2.54, 3.26 A)
 &rst
  ixpk= 1678, nxpk= 25, iat= 814,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 821, 822,
 &end
#
#   17 VAL  HN           17 VAL  HB          5.50    (#   1679:25  Preassigned    3.62, 3.70 A)
 &rst
  ixpk= 1679, nxpk= 25, iat= 272, 276, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    1 MET  HG+          17 VAL  QG-         5.50    (#   1680:25  Preassigned    3.53, 6.10 A)
 &rst
  ixpk= 1680, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  11,  12,
 igr2= 278, 279, 280, 282, 283, 284,
 &end
#
#    3 ILE  HA           17 VAL  QG-         5.50    (#   1681:25  Preassigned    5.29, 7.28 A)
 &rst
  ixpk= 1681, nxpk= 25, iat=  40,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 278, 279, 280, 282, 283, 284,
 &end
#
#   19 PRO  HD+          17 VAL  QG-         7.00    (#   1682:25  Preassigned    5.82, 7.79 A)
 &rst
  ixpk= 1682, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1= 304, 305,
 igr2= 278, 279, 280, 282, 283, 284,
 &end
#
#   18 GLU  HA           17 VAL  QG-         5.50    (#   1683:25  Preassigned    4.75, 5.96 A)
 &rst
  ixpk= 1683, nxpk= 25, iat= 290,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 278, 279, 280, 282, 283, 284,
 &end
#
#    2 GLN  HA           17 VAL  QG-         5.50    (#   1684:25  Preassigned    3.20, 4.96 A)
 &rst
  ixpk= 1684, nxpk= 25, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 278, 279, 280, 282, 283, 284,
 &end
#
#   29 LYS  HN           17 VAL  QG-         5.50    (#   1685:25  Unique         5.68, 7.32 A)
 &rst
  ixpk= 1685, nxpk= 25, iat= 450,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 278, 279, 280, 282, 283, 284,
 &end
#
#    3 ILE  HN           17 VAL  QG-         4.50    (#   1686:25  Preassigned    3.57, 5.31 A)
 &rst
  ixpk= 1686, nxpk= 25, iat=  38,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 278, 279, 280, 282, 283, 284,
 &end
#
#   16 GLU  HN           17 VAL  QG+         5.50    (#   1688:25  Preassigned    4.33, 5.60 A)
 &rst
  ixpk= 1688, nxpk= 25, iat= 257,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 278, 279, 280, 282, 283, 284,
 &end
#
#   19 PRO  HD+          17 VAL  QG+         5.50    (#   1689:25  Unique         5.82, 7.79 A)
 &rst
  ixpk= 1689, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 304, 305,
 igr2= 278, 279, 280, 282, 283, 284,
 &end
#
#   19 PRO  HD-          17 VAL  QG+         5.50    (#   1690:25  Preassigned    5.82, 7.79 A)
 &rst
  ixpk= 1690, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 304, 305,
 igr2= 278, 279, 280, 282, 283, 284,
 &end
#
#   26 VAL  HA           17 VAL  QG+         5.50    (#   1691:25  Preassigned    3.08, 4.83 A)
 &rst
  ixpk= 1691, nxpk= 25, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 278, 279, 280, 282, 283, 284,
 &end
#
#   29 LYS  HE+          17 VAL  QG+         5.50    (#   1692:25  Preassigned    2.72, 5.08 A)
 &rst
  ixpk= 1692, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 463, 464,
 igr2= 278, 279, 280, 282, 283, 284,
 &end
#
#   29 LYS  HE-          17 VAL  QG+         5.50    (#   1693:25  Preassigned    2.72, 5.08 A)
 &rst
  ixpk= 1693, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 463, 464,
 igr2= 278, 279, 280, 282, 283, 284,
 &end
#
#   17 VAL  QG+          18 GLU  HA          5.50    (#   1694:25  Preassigned    4.75, 5.96 A)
 &rst
  ixpk= 1694, nxpk= 25, iat=  -1, 290, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 278, 279, 280, 282, 283, 284,
 &end
#
#    0 AMB  25-3:1695    18 GLU  HA          5.50    (#   1695:25  Single Ambig)
 &rst
  ixpk= 1695, nxpk= 25, iat=  -1, 290, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 895, 896, 897, 899, 900, 901, 278, 279, 280, 282,
       283, 284,
 &end
#
#   18 GLU  HB-          18 GLU  HA          3.50    (#   1696:25  Preassigned    2.24, 2.55 A)
 &rst
  ixpk= 1696, nxpk= 25, iat=  -1, 290, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 292, 293,
 &end
#
#   56 LEU  HG           18 GLU  HA          7.00    (#   1697:25  Preassigned    6.17, 6.24 A)
 &rst
  ixpk= 1697, nxpk= 25, iat= 893, 290, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   18 GLU  HG+          18 GLU  HA          3.50    (#   1698:25  Unique         2.47, 3.64 A)
 &rst
  ixpk= 1698, nxpk= 25, iat=  -1, 290, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 295, 296,
 &end
#
#   18 GLU  HG-          18 GLU  HA          3.50    (#   1699:25  Unique         2.47, 3.64 A)
 &rst
  ixpk= 1699, nxpk= 25, iat=  -1, 290, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 295, 296,
 &end
#
#    1 MET  HG+          18 GLU  HA          5.50    (#   1700:25  Preassigned    2.32, 3.80 A)
 &rst
  ixpk= 1700, nxpk= 25, iat=  -1, 290, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  11,  12,
 &end
#
#   21 ASP  HB-          18 GLU  HA          5.50    (#   1701:25  Unique         4.52, 5.57 A)
 &rst
  ixpk= 1701, nxpk= 25, iat=  -1, 290, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 332, 333,
 &end
#
#   19 PRO  HD-          18 GLU  HA          3.50    (#   1702:25  Preassigned    2.26, 2.30 A)
 &rst
  ixpk= 1702, nxpk= 25, iat=  -1, 290, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 304, 305,
 &end
#
#   19 PRO  HA           18 GLU  HA          5.50    (#   1703:25  Preassigned    4.39, 4.39 A)
 &rst
  ixpk= 1703, nxpk= 25, iat= 313, 290, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   19 PRO  HD+          18 GLU  HA          3.50    (#   1704:25  Preassigned    2.26, 2.30 A)
 &rst
  ixpk= 1704, nxpk= 25, iat=  -1, 290, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 304, 305,
 &end
#
#   17 VAL  HA           18 GLU  HA          5.50    (#   1705:25  Preassigned    4.44, 4.45 A)
 &rst
  ixpk= 1705, nxpk= 25, iat= 274, 290, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   20 SER  HN           18 GLU  HA          5.50    (#   1706:25  Preassigned    3.79, 3.84 A)
 &rst
  ixpk= 1706, nxpk= 25, iat= 317, 290, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   21 ASP  HN           18 GLU  HA          5.50    (#   1707:25  Preassigned    4.64, 4.72 A)
 &rst
  ixpk= 1707, nxpk= 25, iat= 328, 290, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   18 GLU  HN           18 GLU  HA          4.50    (#   1708:25  Preassigned    2.95, 2.95 A)
 &rst
  ixpk= 1708, nxpk= 25, iat= 288, 290, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   57 SER  HN           19 PRO  HA          5.50    (#   1709:25  Preassigned    3.24, 3.32 A)
 &rst
  ixpk= 1709, nxpk= 25, iat= 905, 313, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   56 LEU  HN           19 PRO  HA          5.50    (#   1710:25  Preassigned    4.32, 4.40 A)
 &rst
  ixpk= 1710, nxpk= 25, iat= 886, 313, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   21 ASP  HN           19 PRO  HA          5.50    (#   1711:25  Preassigned    3.74, 3.75 A)
 &rst
  ixpk= 1711, nxpk= 25, iat= 328, 313, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   20 SER  HN           19 PRO  HA          4.50    (#   1712:25  Preassigned    3.36, 3.39 A)
 &rst
  ixpk= 1712, nxpk= 25, iat= 317, 313, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   18 GLU  HA           19 PRO  HA          5.50    (#   1713:25  Preassigned    4.39, 4.39 A)
 &rst
  ixpk= 1713, nxpk= 25, iat= 290, 313, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   55 THR  HB           19 PRO  HA          5.50    (#   1714:25  Preassigned    5.15, 5.27 A)
 &rst
  ixpk= 1714, nxpk= 25, iat= 876, 313, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   20 SER  HA           19 PRO  HA          5.50    (#   1715:25  Preassigned    4.57, 4.59 A)
 &rst
  ixpk= 1715, nxpk= 25, iat= 319, 313, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:1716    19 PRO  HA          4.50    (#   1716:25  Single Ambig)
 &rst
  ixpk= 1716, nxpk= 25, iat=  -1, 313, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 304, 305, 909, 910,
 &end
#
#   19 PRO  HG+          19 PRO  HA          4.50    (#   1717:25  Preassigned    3.85, 3.94 A)
 &rst
  ixpk= 1717, nxpk= 25, iat=  -1, 313, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 307, 308,
 &end
#
#   56 LEU  HG           19 PRO  HA          5.50    (#   1718:25  Preassigned    3.71, 3.80 A)
 &rst
  ixpk= 1718, nxpk= 25, iat= 893, 313, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   56 LEU  HB-          19 PRO  HA          4.50    (#   1719:25  Preassigned    1.95, 2.44 A)
 &rst
  ixpk= 1719, nxpk= 25, iat=  -1, 313, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 890, 891,
 &end
#
#   56 LEU  QD-          19 PRO  HA          4.50    (#   1720:25  Preassigned    2.49, 4.47 A)
 &rst
  ixpk= 1720, nxpk= 25, iat=  -1, 313, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 895, 896, 897, 899, 900, 901,
 &end
#
#   56 LEU  QD+          19 PRO  HA          5.50    (#   1721:25  Preassigned    2.49, 4.47 A)
 &rst
  ixpk= 1721, nxpk= 25, iat=  -1, 313, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 895, 896, 897, 899, 900, 901,
 &end
#
#    0 AMB  25-3:1722    19 PRO  HA          5.50    (#   1722:25  Single Ambig)
 &rst
  ixpk= 1722, nxpk= 25, iat=  -1, 313, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 969, 970, 971, 278, 279, 280, 282, 283, 284,
 &end
#
#   56 LEU  QD-          19 PRO  HB+         5.50    (#   1723:25  Preassigned    4.20, 6.67 A)
 &rst
  ixpk= 1723, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 895, 896, 897, 899, 900, 901,
 igr2= 310, 311,
 &end
#
#   56 LEU  HB-          19 PRO  HB+         5.50    (#   1724:25  Preassigned    4.02, 4.40 A)
 &rst
  ixpk= 1724, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 890, 891,
 igr2= 310, 311,
 &end
#
#    1 MET  QE           19 PRO  HB+         4.50    (#   1725:25  Unique         2.21, 4.02 A)
 &rst
  ixpk= 1725, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  15,  16,  17,
 igr2= 310, 311,
 &end
#
#   19 PRO  HD+          19 PRO  HB+         4.50    (#   1726:25  Preassigned    2.98, 3.70 A)
 &rst
  ixpk= 1726, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 304, 305,
 igr2= 310, 311,
 &end
#
#   18 GLU  HA           19 PRO  HB+         5.50    (#   1727:25  Unique         4.83, 5.20 A)
 &rst
  ixpk= 1727, nxpk= 25, iat= 290,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 310, 311,
 &end
#
#   20 SER  HN           19 PRO  HB+         4.50    (#   1728:25  Preassigned    3.72, 4.10 A)
 &rst
  ixpk= 1728, nxpk= 25, iat= 317,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 310, 311,
 &end
#
#   57 SER  HN           19 PRO  HB+         5.50    (#   1729:25  Preassigned    3.71, 4.18 A)
 &rst
  ixpk= 1729, nxpk= 25, iat= 905,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 310, 311,
 &end
#
#   57 SER  HN           19 PRO  HB-         3.50    (#   1730:25  Preassigned    3.71, 4.18 A)
 &rst
  ixpk= 1730, nxpk= 25, iat= 905,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 310, 311,
 &end
#
#    0 AMB  25-3:1731    19 PRO  HB-         5.50    (#   1731:25  Single Ambig)
 &rst
  ixpk= 1731, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 886, 949,
 igr2= 310, 311,
 &end
#
#   20 SER  HN           19 PRO  HB-         4.50    (#   1732:25  Preassigned    3.72, 4.10 A)
 &rst
  ixpk= 1732, nxpk= 25, iat= 317,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 310, 311,
 &end
#
#   18 GLU  HA           19 PRO  HB-         5.50    (#   1733:25  Preassigned    4.83, 5.20 A)
 &rst
  ixpk= 1733, nxpk= 25, iat= 290,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 310, 311,
 &end
#
#   19 PRO  HA           19 PRO  HB-         3.50    (#   1734:25  Preassigned    2.30, 2.51 A)
 &rst
  ixpk= 1734, nxpk= 25, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 310, 311,
 &end
#
#   19 PRO  HD-          19 PRO  HB-         3.50    (#   1735:25  Preassigned    2.98, 3.70 A)
 &rst
  ixpk= 1735, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 304, 305,
 igr2= 310, 311,
 &end
#
#   37 PRO  HA           38 PRO  HG+         4.50    (#   1737:25  Unique         4.44, 4.48 A)
 &rst
  ixpk= 1737, nxpk= 25, iat= 593,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 601, 602,
 &end
#
#   41 GLN  HE2+         38 PRO  HG+         5.50    (#   1738:25  Preassigned    5.46, 6.17 A)
 &rst
  ixpk= 1738, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 652, 653,
 igr2= 601, 602,
 &end
#
#   39 ASP  HN           38 PRO  HG+         4.50    (#   1739:25  Unique         2.22, 3.02 A)
 &rst
  ixpk= 1739, nxpk= 25, iat= 611,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 601, 602,
 &end
#
#    0 AMB  25-3:1740     0 AMB  25-1:1740   3.50    (#   1740:25  Double Ambig)
 &rst
  ixpk= 1740, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 598, 599, 598, 599, 304, 305,
 igr2= 601, 602, 601, 602, 307, 308,
 &end
#
#    1 MET  QE           19 PRO  HG-         4.50    (#   1741:25  Preassigned    4.00, 5.14 A)
 &rst
  ixpk= 1741, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  15,  16,  17,
 igr2= 307, 308,
 &end
#
#   19 PRO  HD-          19 PRO  HG-         3.50    (#   1742:25  Preassigned    2.30, 2.58 A)
 &rst
  ixpk= 1742, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 304, 305,
 igr2= 307, 308,
 &end
#
#   19 PRO  HD+          19 PRO  HG-         3.50    (#   1743:25  Preassigned    2.30, 2.58 A)
 &rst
  ixpk= 1743, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 304, 305,
 igr2= 307, 308,
 &end
#
#   19 PRO  HA           19 PRO  HG-         4.50    (#   1744:25  Preassigned    3.85, 3.94 A)
 &rst
  ixpk= 1744, nxpk= 25, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 307, 308,
 &end
#
#   18 GLU  HA           19 PRO  HG-         4.50    (#   1745:25  Preassigned    4.40, 4.44 A)
 &rst
  ixpk= 1745, nxpk= 25, iat= 290,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 307, 308,
 &end
#
#   20 SER  HN           19 PRO  HG-         5.50    (#   1746:25  Preassigned    2.92, 3.71 A)
 &rst
  ixpk= 1746, nxpk= 25, iat= 317,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 307, 308,
 &end
#
#    0 AMB  25-3:1747     0 AMB  25-1:1747   2.80    (#   1747:25  Double Ambig)
 &rst
  ixpk= 1747, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 310, 311, 590, 591,
 igr2= 307, 308, 587, 588,
 &end
#
#   18 GLU  HN           19 PRO  HD+         5.50    (#   1748:25  Preassigned    4.82, 4.89 A)
 &rst
  ixpk= 1748, nxpk= 25, iat= 288,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 304, 305,
 &end
#
#   21 ASP  HN           19 PRO  HD+         7.00    (#   1749:25  Preassigned    4.63, 5.06 A)
 &rst
  ixpk= 1749, nxpk= 25, iat= 328,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 304, 305,
 &end
#
#   20 SER  HN           19 PRO  HD+         4.50    (#   1750:25  Preassigned    2.78, 3.39 A)
 &rst
  ixpk= 1750, nxpk= 25, iat= 317,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 304, 305,
 &end
#
#   19 PRO  HA           19 PRO  HD+         4.50    (#   1751:25  Unique         3.60, 3.85 A)
 &rst
  ixpk= 1751, nxpk= 25, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 304, 305,
 &end
#
#    1 MET  HG+          19 PRO  HD+         5.50    (#   1752:25  Preassigned    2.28, 4.43 A)
 &rst
  ixpk= 1752, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  11,  12,
 igr2= 304, 305,
 &end
#
#   19 PRO  HB+          19 PRO  HD+         4.50    (#   1753:25  Preassigned    2.98, 3.70 A)
 &rst
  ixpk= 1753, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 310, 311,
 igr2= 304, 305,
 &end
#
#   18 GLU  HG-          19 PRO  HD+         4.50    (#   1754:25  Unique         2.00, 4.97 A)
 &rst
  ixpk= 1754, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 295, 296,
 igr2= 304, 305,
 &end
#
#   63 LYS  HB+          19 PRO  HD+         5.50    (#   1755:25  Preassigned    4.74, 6.79 A)
 &rst
  ixpk= 1755, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1003,1004,
 igr2= 304, 305,
 &end
#
#    0 AMB  25-3:1756     0 AMB  25-1:1756   4.50    (#   1756:25  Double Ambig)
 &rst
  ixpk= 1756, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 292, 293,  15,  16,  17,
 igr2= 304, 305, 304, 305,
 &end
#
#   17 VAL  QG+          19 PRO  HD+         7.00    (#   1757:25  Preassigned    5.82, 7.79 A)
 &rst
  ixpk= 1757, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1= 278, 279, 280, 282, 283, 284,
 igr2= 304, 305,
 &end
#
#   17 VAL  QG+          19 PRO  HD-         5.50    (#   1758:25  Preassigned    5.82, 7.79 A)
 &rst
  ixpk= 1758, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 278, 279, 280, 282, 283, 284,
 igr2= 304, 305,
 &end
#
#    0 AMB  25-3:1759    19 PRO  HD-         7.00    (#   1759:25  Single Ambig)
 &rst
  ixpk= 1759, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.89, r4=12.39,
 igr1= 895, 896, 897, 899, 900, 901, 278, 279, 280, 282,
       283, 284,
 igr2= 304, 305,
 &end
#
#    0 AMB  25-3:1760    19 PRO  HD-         4.50    (#   1760:25  Single Ambig)
 &rst
  ixpk= 1760, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 292, 293,  15,  16,  17,
 igr2= 304, 305,
 &end
#
#   18 GLU  HG-          19 PRO  HD-         4.50    (#   1761:25  Unique         2.00, 4.97 A)
 &rst
  ixpk= 1761, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 295, 296,
 igr2= 304, 305,
 &end
#
#   19 PRO  HB+          19 PRO  HD-         4.50    (#   1762:25  Preassigned    2.98, 3.70 A)
 &rst
  ixpk= 1762, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 310, 311,
 igr2= 304, 305,
 &end
#
#    1 MET  HG+          19 PRO  HD-         5.50    (#   1763:25  Preassigned    2.28, 4.43 A)
 &rst
  ixpk= 1763, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  11,  12,
 igr2= 304, 305,
 &end
#
#   19 PRO  HA           19 PRO  HD-         4.50    (#   1764:25  Unique         3.60, 3.85 A)
 &rst
  ixpk= 1764, nxpk= 25, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 304, 305,
 &end
#
#   20 SER  HN           19 PRO  HD-         4.50    (#   1765:25  Preassigned    2.78, 3.39 A)
 &rst
  ixpk= 1765, nxpk= 25, iat= 317,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 304, 305,
 &end
#
#   18 GLU  HN           19 PRO  HD-         5.50    (#   1766:25  Preassigned    4.82, 4.89 A)
 &rst
  ixpk= 1766, nxpk= 25, iat= 288,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 304, 305,
 &end
#
#   19 PRO  HD+          20 SER  HA          5.50    (#   1767:25  Preassigned    5.50, 6.00 A)
 &rst
  ixpk= 1767, nxpk= 25, iat=  -1, 319, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 304, 305,
 &end
#
#   21 ASP  HA           20 SER  HA          4.50    (#   1768:25  Preassigned    4.68, 4.71 A)
 &rst
  ixpk= 1768, nxpk= 25, iat= 330, 319, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   55 THR  HA           20 SER  HA          5.50    (#   1769:25  Preassigned    5.36, 5.39 A)
 &rst
  ixpk= 1769, nxpk= 25, iat= 874, 319, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   21 ASP  HN           20 SER  HA          4.50    (#   1770:25  Preassigned    3.20, 3.23 A)
 &rst
  ixpk= 1770, nxpk= 25, iat= 328, 319, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   57 SER  HN           20 SER  HA          4.50    (#   1771:25  Preassigned    3.56, 3.64 A)
 &rst
  ixpk= 1771, nxpk= 25, iat= 905, 319, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   55 THR  QG2          20 SER  HB+         4.50    (#   1772:25  Preassigned    4.53, 5.64 A)
 &rst
  ixpk= 1772, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 878, 879, 880,
 igr2= 321, 322,
 &end
#
#   18 GLU  HB-          20 SER  HB+         5.50    (#   1773:25  Preassigned    4.20, 5.34 A)
 &rst
  ixpk= 1773, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 292, 293,
 igr2= 321, 322,
 &end
#
#   19 PRO  HG-          20 SER  HB+         5.50    (#   1774:25  Preassigned    4.31, 5.73 A)
 &rst
  ixpk= 1774, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 307, 308,
 igr2= 321, 322,
 &end
#
#    0 AMB  25-3:1775     0 AMB  25-1:1775   5.50    (#   1775:25  Double Ambig)
 &rst
  ixpk= 1775, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 295, 296, 307, 308,
 igr2= 321, 322, 321, 322,
 &end
#
#   19 PRO  HB+          20 SER  HB+         7.00    (#   1776:25  Preassigned    5.00, 6.30 A)
 &rst
  ixpk= 1776, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 310, 311,
 igr2= 321, 322,
 &end
#
#   55 THR  HB           20 SER  HB+         4.50    (#   1777:25  Preassigned    5.06, 5.14 A)
 &rst
  ixpk= 1777, nxpk= 25, iat= 876,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 321, 322,
 &end
#
#   21 ASP  HA           20 SER  HB+         5.50    (#   1778:25  Preassigned    4.24, 4.97 A)
 &rst
  ixpk= 1778, nxpk= 25, iat= 330,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 321, 322,
 &end
#
#   20 SER  HN           20 SER  HB+         4.50    (#   1780:25  Preassigned    3.36, 3.42 A)
 &rst
  ixpk= 1780, nxpk= 25, iat= 317,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 321, 322,
 &end
#
#   21 ASP  HN           20 SER  HB+         5.50    (#   1781:25  Preassigned    3.87, 4.27 A)
 &rst
  ixpk= 1781, nxpk= 25, iat= 328,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 321, 322,
 &end
#
#   56 LEU  HN           20 SER  HB+         7.00    (#   1782:25  Preassigned    6.65, 6.72 A)
 &rst
  ixpk= 1782, nxpk= 25, iat= 886,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 321, 322,
 &end
#
#   55 THR  QG2          20 SER  HB-         4.50    (#   1783:25  Preassigned    4.53, 5.64 A)
 &rst
  ixpk= 1783, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 878, 879, 880,
 igr2= 321, 322,
 &end
#
#   19 PRO  HB-          20 SER  HB-         5.50    (#   1784:25  Preassigned    5.00, 6.30 A)
 &rst
  ixpk= 1784, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 310, 311,
 igr2= 321, 322,
 &end
#
#    0 AMB  25-3:1785    20 SER  HB-         5.50    (#   1785:25  Single Ambig)
 &rst
  ixpk= 1785, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 295, 296, 307, 308,
 igr2= 321, 322,
 &end
#
#   19 PRO  HB+          20 SER  HB-         7.00    (#   1786:25  Preassigned    5.00, 6.30 A)
 &rst
  ixpk= 1786, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 310, 311,
 igr2= 321, 322,
 &end
#
#   19 PRO  HD+          20 SER  HB-         5.50    (#   1787:25  Preassigned    5.35, 6.23 A)
 &rst
  ixpk= 1787, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 304, 305,
 igr2= 321, 322,
 &end
#
#   55 THR  HB           20 SER  HB-         4.50    (#   1788:25  Preassigned    5.06, 5.14 A)
 &rst
  ixpk= 1788, nxpk= 25, iat= 876,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 321, 322,
 &end
#
#   21 ASP  HA           20 SER  HB-         5.50    (#   1789:25  Preassigned    4.24, 4.97 A)
 &rst
  ixpk= 1789, nxpk= 25, iat= 330,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 321, 322,
 &end
#
#   21 ASP  HN           20 SER  HB-         4.50    (#   1791:25  Preassigned    3.87, 4.27 A)
 &rst
  ixpk= 1791, nxpk= 25, iat= 328,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 321, 322,
 &end
#
#   20 SER  HN           21 ASP  HA          5.50    (#   1792:25  Preassigned    4.61, 4.64 A)
 &rst
  ixpk= 1792, nxpk= 25, iat= 317, 330, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   25 ASN  HD2+         21 ASP  HA          5.50    (#   1793:25  Preassigned    3.40, 4.16 A)
 &rst
  ixpk= 1793, nxpk= 25, iat=  -1, 330, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 397, 398,
 &end
#
#   25 ASN  HB+          21 ASP  HA          4.50    (#   1794:25  Preassigned    4.70, 5.29 A)
 &rst
  ixpk= 1794, nxpk= 25, iat=  -1, 330, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 392, 393,
 &end
#
#   22 THR  QG2          21 ASP  HA          4.50    (#   1795:25  Preassigned    4.20, 5.22 A)
 &rst
  ixpk= 1795, nxpk= 25, iat=  -1, 330, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 346, 347, 348,
 &end
#
#   26 VAL  QG+          21 ASP  HA          5.50    (#   1796:25  Preassigned    5.41, 7.58 A)
 &rst
  ixpk= 1796, nxpk= 25, iat=  -1, 330, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 408, 409, 410, 412, 413, 414,
 &end
#
#    0 AMB  25-3:1797    21 ASP  HA          5.50    (#   1797:25  Single Ambig)
 &rst
  ixpk= 1797, nxpk= 25, iat=  -1, 330, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 408, 409, 410, 412, 413, 414, 895, 896, 897, 899,
       900, 901, 278, 279, 280, 282, 283, 284,
 &end
#
#   17 VAL  QG+          21 ASP  HB+         7.00    (#   1798:25  Preassigned    4.15, 5.42 A)
 &rst
  ixpk= 1798, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1= 278, 279, 280, 282, 283, 284,
 igr2= 332, 333,
 &end
#
#   56 LEU  QD+          21 ASP  HB+         5.50    (#   1799:25  Preassigned    3.12, 5.36 A)
 &rst
  ixpk= 1799, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 895, 896, 897, 899, 900, 901,
 igr2= 332, 333,
 &end
#
#   56 LEU  QD-          21 ASP  HB+         3.50    (#   1800:25  Preassigned    3.12, 5.36 A)
 &rst
  ixpk= 1800, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 895, 896, 897, 899, 900, 901,
 igr2= 332, 333,
 &end
#
#   26 VAL  QG+          21 ASP  HB+         4.50    (#   1801:25  Preassigned    2.89, 5.66 A)
 &rst
  ixpk= 1801, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 408, 409, 410, 412, 413, 414,
 igr2= 332, 333,
 &end
#
#    0 AMB  25-3:1802     0 AMB  25-1:1802   5.50    (#   1802:25  Double Ambig)
 &rst
  ixpk= 1802, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
 igr1= 890, 891, 346, 347, 348,
 igr2= 332, 333, 332, 333,
 &end
#
#    0 AMB  25-3:1803     0 AMB  25-1:1803   5.50    (#   1803:25  Double Ambig)
 &rst
  ixpk= 1803, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 425, 426, 428, 429, 292, 293,
 igr2= 833, 834, 332, 333,
 &end
#
#   56 LEU  HG           21 ASP  HB+         5.50    (#   1804:25  Preassigned    2.92, 3.75 A)
 &rst
  ixpk= 1804, nxpk= 25, iat= 893,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 332, 333,
 &end
#
#   18 GLU  HG-          21 ASP  HB+         4.50    (#   1805:25  Unique         1.90, 3.94 A)
 &rst
  ixpk= 1805, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 295, 296,
 igr2= 332, 333,
 &end
#
#   25 ASN  HB+          21 ASP  HB+         4.50    (#   1806:25  Preassigned    3.30, 4.97 A)
 &rst
  ixpk= 1806, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 392, 393,
 igr2= 332, 333,
 &end
#
#   24 GLU  HA           52 ASP  HB-         7.00    (#   1807:25  Preassigned    1.87, 2.65 A)
 &rst
  ixpk= 1807, nxpk= 25, iat= 375,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 833, 834,
 &end
#
#   53 GLY  HA-          52 ASP  HB-         5.50    (#   1808:25  Preassigned    4.13, 5.47 A)
 &rst
  ixpk= 1808, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 843, 844,
 igr2= 833, 834,
 &end
#
#   52 ASP  HA           52 ASP  HB-         3.50    (#   1809:25  Preassigned    2.25, 2.50 A)
 &rst
  ixpk= 1809, nxpk= 25, iat= 831,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 833, 834,
 &end
#
#    0 AMB  25-3:1810     0 AMB  25-1:1810   4.50    (#   1810:25  Double Ambig)
 &rst
  ixpk= 1810, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 816, 876, 390,
 igr2= 833, 834, 332, 333, 332, 333,
 &end
#
#   21 ASP  HA           21 ASP  HB+         3.50    (#   1811:25  Preassigned    2.34, 2.74 A)
 &rst
  ixpk= 1811, nxpk= 25, iat= 330,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 332, 333,
 &end
#
#   22 THR  HB            0 AMB  25-1:1812   7.00    (#   1812:25  Single Ambig)
 &rst
  ixpk= 1812, nxpk= 25, iat= 344,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr2= 833, 834, 332, 333,
 &end
#
#   22 THR  HN           21 ASP  HB+         4.50    (#   1813:25  Preassigned    2.99, 3.80 A)
 &rst
  ixpk= 1813, nxpk= 25, iat= 340,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 332, 333,
 &end
#
#   18 GLU  HN           21 ASP  HB+         4.50    (#   1814:25  Preassigned    2.55, 3.37 A)
 &rst
  ixpk= 1814, nxpk= 25, iat= 288,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 332, 333,
 &end
#
#    9 THR  HB            9 THR  QG2         2.80    (#   1815:25  Preassigned    2.30, 2.64 A)
 &rst
  ixpk= 1815, nxpk= 25, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 154, 155, 156,
 &end
#
#   10 GLY  HA-           9 THR  QG2         5.50    (#   1816:25  Unique         3.76, 5.27 A)
 &rst
  ixpk= 1816, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 164, 165,
 igr2= 154, 155, 156,
 &end
#
#   12 THR  HN            7 THR  QG2         7.00    (#   1817:25  Preassigned    5.49, 6.62 A)
 &rst
  ixpk= 1817, nxpk= 25, iat= 191,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 121, 122, 123,
 &end
#
#   26 VAL  HN           23 ILE  HA          3.50    (#   1818:25  Preassigned    3.27, 3.30 A)
 &rst
  ixpk= 1818, nxpk= 25, iat= 402, 356, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:1819    23 ILE  HA          4.50    (#   1819:25  Single Ambig)
 &rst
  ixpk= 1819, nxpk= 25, iat=  -1, 356, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 388, 340,
 &end
#
#   55 THR  HA           23 ILE  HA          7.00    (#   1820:25  Preassigned    4.34, 4.42 A)
 &rst
  ixpk= 1820, nxpk= 25, iat= 874, 356, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   22 THR  HB           23 ILE  HA          5.50    (#   1821:25  Preassigned    4.86, 4.90 A)
 &rst
  ixpk= 1821, nxpk= 25, iat= 344, 356, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:1822    23 ILE  HA          7.00    (#   1822:25  Single Ambig)
 &rst
  ixpk= 1822, nxpk= 25, iat=  -1, 356, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 330, 850,
 &end
#
#    0 AMB  25-3:1823    23 ILE  HA          7.00    (#   1823:25  Single Ambig)
 &rst
  ixpk= 1823, nxpk= 25, iat=  -1, 356, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 390, 876,
 &end
#
#   52 ASP  HA           23 ILE  HA          5.50    (#   1824:25  Preassigned    4.02, 4.05 A)
 &rst
  ixpk= 1824, nxpk= 25, iat= 831, 356, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:1825    23 ILE  HA          7.00    (#   1825:25  Single Ambig)
 &rst
  ixpk= 1825, nxpk= 25, iat=  -1, 356, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 888, 797,
 &end
#
#   24 GLU  HA           23 ILE  HA          7.00    (#   1826:25  Preassigned    4.86, 4.88 A)
 &rst
  ixpk= 1826, nxpk= 25, iat= 375, 356, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   26 VAL  HA           23 ILE  HA          5.50    (#   1827:25  Preassigned    5.06, 5.09 A)
 &rst
  ixpk= 1827, nxpk= 25, iat= 404, 356, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   25 ASN  HB-          23 ILE  HA          5.50    (#   1828:25  Preassigned    5.88, 6.55 A)
 &rst
  ixpk= 1828, nxpk= 25, iat=  -1, 356, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 392, 393,
 &end
#
#   23 ILE  HB           23 ILE  HA          4.50    (#   1829:25  Preassigned    3.02, 3.02 A)
 &rst
  ixpk= 1829, nxpk= 25, iat= 358, 356, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:1830    23 ILE  HA          5.50    (#   1830:25  Single Ambig)
 &rst
  ixpk= 1830, nxpk= 25, iat=  -1, 356, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 377, 378, 377, 378, 852, 853,
 &end
#
#   23 ILE  HG1+         23 ILE  HA          4.50    (#   1831:25  Preassigned    3.44, 3.49 A)
 &rst
  ixpk= 1831, nxpk= 25, iat=  -1, 356, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 364, 365,
 &end
#
#   56 LEU  HG           23 ILE  HA          5.50    (#   1832:25  Preassigned    4.60, 4.82 A)
 &rst
  ixpk= 1832, nxpk= 25, iat= 893, 356, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:1833    23 ILE  HA          7.00    (#   1833:25  Single Ambig)
 &rst
  ixpk= 1833, nxpk= 25, iat=  -1, 356, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 428, 429, 428, 429,
 &end
#
#    0 AMB  25-3:1834    23 ILE  HA          5.50    (#   1834:25  Single Ambig)
 &rst
  ixpk= 1834, nxpk= 25, iat=  -1, 356, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 425, 426, 685, 686,
 &end
#
#    0 AMB  25-3:1835    23 ILE  HA          5.50    (#   1835:25  Single Ambig)
 &rst
  ixpk= 1835, nxpk= 25, iat=  -1, 356, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 799, 800, 422, 423,
 &end
#
#   23 ILE  HG1-         23 ILE  HA          4.50    (#   1836:25  Preassigned    3.44, 3.49 A)
 &rst
  ixpk= 1836, nxpk= 25, iat=  -1, 356, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 364, 365,
 &end
#
#   23 ILE  QD1          23 ILE  HB          4.50    (#   1837:25  Preassigned    3.63, 3.86 A)
 &rst
  ixpk= 1837, nxpk= 25, iat=  -1, 358, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 367, 368, 369,
 &end
#
#   23 ILE  HG1-         23 ILE  HB          4.50    (#   1838:25  Preassigned    2.28, 2.48 A)
 &rst
  ixpk= 1838, nxpk= 25, iat=  -1, 358, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 364, 365,
 &end
#
#    0 AMB  25-3:1839    23 ILE  HB          5.50    (#   1839:25  Single Ambig)
 &rst
  ixpk= 1839, nxpk= 25, iat=  -1, 358, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 799, 800, 422, 423,
 &end
#
#   23 ILE  HG1+         23 ILE  HB          5.50    (#   1840:25  Preassigned    2.28, 2.48 A)
 &rst
  ixpk= 1840, nxpk= 25, iat=  -1, 358, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 364, 365,
 &end
#
#    0 AMB  25-3:1841    23 ILE  HB          5.50    (#   1841:25  Single Ambig)
 &rst
  ixpk= 1841, nxpk= 25, iat=  -1, 358, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 852, 853, 377, 378, 377, 378,
 &end
#
#   54 ARG  HD+          23 ILE  HB          7.00    (#   1842:25  Preassigned    6.55, 7.56 A)
 &rst
  ixpk= 1842, nxpk= 25, iat=  -1, 358, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 858, 859,
 &end
#
#   23 ILE  HA           23 ILE  HB          5.50    (#   1843:25  Preassigned    3.02, 3.02 A)
 &rst
  ixpk= 1843, nxpk= 25, iat= 356, 358, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   52 ASP  HA           23 ILE  HB          4.50    (#   1844:25  Preassigned    1.66, 1.69 A)
 &rst
  ixpk= 1844, nxpk= 25, iat= 831, 358, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   22 THR  HB           23 ILE  HB          5.50    (#   1845:25  Preassigned    4.32, 4.37 A)
 &rst
  ixpk= 1845, nxpk= 25, iat= 344, 358, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   22 THR  HA           23 ILE  HB          5.50    (#   1846:25  Preassigned    4.82, 4.85 A)
 &rst
  ixpk= 1846, nxpk= 25, iat= 342, 358, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   55 THR  HA           23 ILE  HB          7.00    (#   1847:25  Preassigned    5.13, 5.16 A)
 &rst
  ixpk= 1847, nxpk= 25, iat= 874, 358, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   59 TYR  HE1          23 ILE  HB          7.00    (#   1848:25  Preassigned    4.24, 4.30 A)
 &rst
  ixpk= 1848, nxpk= 25, iat= 938, 358, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   54 ARG  HN           23 ILE  HB          5.50    (#   1849:25  Preassigned    3.41, 3.52 A)
 &rst
  ixpk= 1849, nxpk= 25, iat= 848, 358, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   52 ASP  HN           23 ILE  HB          5.50    (#   1850:25  Preassigned    3.35, 3.40 A)
 &rst
  ixpk= 1850, nxpk= 25, iat= 829, 358, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   23 ILE  HN           23 ILE  HB          4.50    (#   1851:25  Preassigned    2.68, 2.71 A)
 &rst
  ixpk= 1851, nxpk= 25, iat= 354, 358, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:1852    69 LEU  HG          5.50    (#   1852:25  Single Ambig)
 &rst
  ixpk= 1852, nxpk= 25, iat=  -1,1104, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1116, 129,
 &end
#
#   51 GLU  HN           23 ILE  HG1-        4.50    (#   1853:25  Unique         2.44, 2.84 A)
 &rst
  ixpk= 1853, nxpk= 25, iat= 814,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 364, 365,
 &end
#
#   23 ILE  HN           23 ILE  HG1-        4.50    (#   1854:25  Preassigned    2.13, 2.95 A)
 &rst
  ixpk= 1854, nxpk= 25, iat= 354,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 364, 365,
 &end
#
#    0 AMB  25-3:1855    23 ILE  HG1-        5.50    (#   1855:25  Single Ambig)
 &rst
  ixpk= 1855, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 829, 886, 402,
 igr2= 364, 365,
 &end
#
#   54 ARG  HN           23 ILE  HG1-        7.00    (#   1856:25  Preassigned    2.90, 3.66 A)
 &rst
  ixpk= 1856, nxpk= 25, iat= 848,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 364, 365,
 &end
#
#   59 TYR  HD1          23 ILE  HG1-        5.50    (#   1857:25  Unique         3.81, 4.00 A)
 &rst
  ixpk= 1857, nxpk= 25, iat= 936,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 364, 365,
 &end
#
#   59 TYR  HE1          23 ILE  HG1-        4.50    (#   1858:25  Preassigned    2.10, 2.27 A)
 &rst
  ixpk= 1858, nxpk= 25, iat= 938,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 364, 365,
 &end
#
#    0 AMB  25-3:1859     0 AMB  25-1:1859   4.50    (#   1859:25  Double Ambig)
 &rst
  ixpk= 1859, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 874,1099,
 igr2= 364, 365,1104,
 &end
#
#    0 AMB  25-3:1860     0 AMB  25-1:1860   5.50    (#   1860:25  Double Ambig)
 &rst
  ixpk= 1860, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 119, 344,
 igr2=1104, 364, 365,
 &end
#
#   52 ASP  HA           23 ILE  HG1-        5.50    (#   1861:25  Unique         3.71, 4.06 A)
 &rst
  ixpk= 1861, nxpk= 25, iat= 831,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 364, 365,
 &end
#
#    0 AMB  25-3:1862    23 ILE  HG1-        5.50    (#   1862:25  Single Ambig)
 &rst
  ixpk= 1862, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 797, 888,
 igr2= 364, 365,
 &end
#
#   23 ILE  HA           23 ILE  HG1-        5.50    (#   1863:25  Preassigned    3.44, 3.49 A)
 &rst
  ixpk= 1863, nxpk= 25, iat= 356,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 364, 365,
 &end
#
#   54 ARG  HD+          23 ILE  HG1-        5.50    (#   1864:25  Preassigned    5.27, 6.14 A)
 &rst
  ixpk= 1864, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 858, 859,
 igr2= 364, 365,
 &end
#
#   23 ILE  HB           23 ILE  HG1-        4.50    (#   1865:25  Preassigned    2.28, 2.48 A)
 &rst
  ixpk= 1865, nxpk= 25, iat= 358,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 364, 365,
 &end
#
#   30 ILE  HB           69 LEU  HG          5.50    (#   1866:25  Preassigned    4.94, 5.25 A)
 &rst
  ixpk= 1866, nxpk= 25, iat= 476,1104, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   54 ARG  HB+          23 ILE  HG1-        5.50    (#   1867:25  Preassigned    2.40, 3.41 A)
 &rst
  ixpk= 1867, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 852, 853,
 igr2= 364, 365,
 &end
#
#   54 ARG  HB-          23 ILE  HG1-        5.50    (#   1868:25  Preassigned    2.40, 3.41 A)
 &rst
  ixpk= 1868, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 852, 853,
 igr2= 364, 365,
 &end
#
#   56 LEU  HG           23 ILE  HG1-        5.50    (#   1869:25  Preassigned    6.22, 6.60 A)
 &rst
  ixpk= 1869, nxpk= 25, iat= 893,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 364, 365,
 &end
#
#    0 AMB  25-3:1870    23 ILE  HG1-        3.50    (#   1870:25  Single Ambig)
 &rst
  ixpk= 1870, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 802, 685, 686,
 igr2= 364, 365,
 &end
#
#    0 AMB  25-3:1871     0 AMB  25-1:1871   3.50    (#   1871:25  Double Ambig)
 &rst
  ixpk= 1871, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 799, 800,1101,1102,
 igr2= 364, 365,1104,
 &end
#
#   69 LEU  QD+          69 LEU  HG          3.50    (#   1872:25  Preassigned    2.22, 2.63 A)
 &rst
  ixpk= 1872, nxpk= 25, iat=  -1,1104, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1106,1107,1108,1110,1111,1112,
 &end
#
#   69 LEU  QD-          69 LEU  HG          3.50    (#   1873:25  Preassigned    2.22, 2.63 A)
 &rst
  ixpk= 1873, nxpk= 25, iat=  -1,1104, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1106,1107,1108,1110,1111,1112,
 &end
#
#   23 ILE  QD1          23 ILE  HG1-        3.50    (#   1874:25  Preassigned    2.27, 2.62 A)
 &rst
  ixpk= 1874, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 367, 368, 369,
 igr2= 364, 365,
 &end
#
#   50 LEU  QD-          23 ILE  HG1-        5.50    (#   1875:25  Preassigned    2.60, 5.13 A)
 &rst
  ixpk= 1875, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 804, 805, 806, 808, 809, 810,
 igr2= 364, 365,
 &end
#
#    0 AMB  25-3:1876     0 AMB  25-1:1876   3.50    (#   1876:25  Double Ambig)
 &rst
  ixpk= 1876, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 354, 491,
 igr2= 364, 365, 495, 496,
 &end
#
#   59 TYR  HE1          23 ILE  HG1+        4.50    (#   1877:25  Preassigned    2.10, 2.27 A)
 &rst
  ixpk= 1877, nxpk= 25, iat= 938,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 364, 365,
 &end
#
#   22 THR  HA           23 ILE  HG1+        5.50    (#   1878:25  Preassigned    4.05, 4.94 A)
 &rst
  ixpk= 1878, nxpk= 25, iat= 342,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 364, 365,
 &end
#
#   22 THR  HB           23 ILE  HG1+        5.50    (#   1879:25  Preassigned    4.66, 5.55 A)
 &rst
  ixpk= 1879, nxpk= 25, iat= 344,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 364, 365,
 &end
#
#    0 AMB  25-3:1880     0 AMB  25-1:1880   5.50    (#   1880:25  Double Ambig)
 &rst
  ixpk= 1880, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 831, 566,
 igr2= 364, 365, 495, 496,
 &end
#
#   23 ILE  HA           23 ILE  HG1+        4.50    (#   1881:25  Preassigned    3.44, 3.49 A)
 &rst
  ixpk= 1881, nxpk= 25, iat= 356,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 364, 365,
 &end
#
#   54 ARG  HB+          23 ILE  HG1+        4.50    (#   1882:25  Unique         2.40, 3.41 A)
 &rst
  ixpk= 1882, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 852, 853,
 igr2= 364, 365,
 &end
#
#   50 LEU  HB+          23 ILE  HG1+        5.50    (#   1883:25  Preassigned    1.78, 3.02 A)
 &rst
  ixpk= 1883, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 799, 800,
 igr2= 364, 365,
 &end
#
#   50 LEU  HB-          23 ILE  HG1+        4.50    (#   1884:25  Preassigned    1.78, 3.02 A)
 &rst
  ixpk= 1884, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 799, 800,
 igr2= 364, 365,
 &end
#
#   23 ILE  QG2          23 ILE  HG1+        3.50    (#   1885:25  Preassigned    2.02, 3.34 A)
 &rst
  ixpk= 1885, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 360, 361, 362,
 igr2= 364, 365,
 &end
#
#   23 ILE  QD1          23 ILE  HG1+        3.50    (#   1886:25  Preassigned    2.27, 2.62 A)
 &rst
  ixpk= 1886, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 367, 368, 369,
 igr2= 364, 365,
 &end
#
#   50 LEU  QD-          23 ILE  QG2         5.50    (#   1887:25  Preassigned    2.69, 5.69 A)
 &rst
  ixpk= 1887, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 804, 805, 806, 808, 809, 810,
 igr2= 360, 361, 362,
 &end
#
#   27 LYS  HA           23 ILE  QG2         5.50    (#   1888:25  Unique         4.52, 5.36 A)
 &rst
  ixpk= 1888, nxpk= 25, iat= 420,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 360, 361, 362,
 &end
#
#   22 THR  HA           23 ILE  QG2         5.50    (#   1889:25  Preassigned    6.37, 6.64 A)
 &rst
  ixpk= 1889, nxpk= 25, iat= 342,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 360, 361, 362,
 &end
#
#   59 TYR  HE1          23 ILE  QG2         5.50    (#   1890:25  Preassigned    4.25, 5.16 A)
 &rst
  ixpk= 1890, nxpk= 25, iat= 938,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 360, 361, 362,
 &end
#
#   59 TYR  HD1          23 ILE  QG2         7.00    (#   1891:25  Preassigned    5.32, 6.44 A)
 &rst
  ixpk= 1891, nxpk= 25, iat= 936,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 360, 361, 362,
 &end
#
#   54 ARG  HN           23 ILE  QG2         5.50    (#   1892:25  Preassigned    5.27, 5.78 A)
 &rst
  ixpk= 1892, nxpk= 25, iat= 848,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 360, 361, 362,
 &end
#
#    0 AMB  25-3:1893    23 ILE  QG2         5.50    (#   1893:25  Single Ambig)
 &rst
  ixpk= 1893, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 388, 440,
 igr2= 360, 361, 362,
 &end
#
#    0 AMB  25-3:1894    23 ILE  QG2         3.50    (#   1894:25  Single Ambig)
 &rst
  ixpk= 1894, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 418, 354,
 igr2= 360, 361, 362,
 &end
#
#   43 LEU  HN           23 ILE  QG2         5.50    (#   1895:25  Preassigned    3.82, 4.69 A)
 &rst
  ixpk= 1895, nxpk= 25, iat= 681,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 360, 361, 362,
 &end
#
#   55 THR  HN           23 ILE  QD1         5.50    (#   1897:25  Unique         4.02, 4.85 A)
 &rst
  ixpk= 1897, nxpk= 25, iat= 872,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 367, 368, 369,
 &end
#
#    0 AMB  25-3:1898    23 ILE  QD1         5.50    (#   1898:25  Single Ambig)
 &rst
  ixpk= 1898, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 814, 905,
 igr2= 367, 368, 369,
 &end
#
#    0 AMB  25-3:1899    23 ILE  QD1         5.50    (#   1899:25  Single Ambig)
 &rst
  ixpk= 1899, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 916, 340, 388,
 igr2= 367, 368, 369,
 &end
#
#   54 ARG  HN           23 ILE  QD1         5.50    (#   1900:25  Preassigned    4.87, 5.49 A)
 &rst
  ixpk= 1900, nxpk= 25, iat= 848,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 367, 368, 369,
 &end
#
#   22 THR  HB           23 ILE  QD1         5.50    (#   1901:25  Preassigned    4.94, 5.88 A)
 &rst
  ixpk= 1901, nxpk= 25, iat= 344,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 367, 368, 369,
 &end
#
#   54 ARG  HA           23 ILE  QD1         5.50    (#   1902:25  Preassigned    5.36, 6.14 A)
 &rst
  ixpk= 1902, nxpk= 25, iat= 850,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 367, 368, 369,
 &end
#
#   55 THR  HB           23 ILE  QD1         5.50    (#   1903:25  Preassigned    4.55, 5.58 A)
 &rst
  ixpk= 1903, nxpk= 25, iat= 876,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 367, 368, 369,
 &end
#
#   52 ASP  HA           23 ILE  QD1         5.50    (#   1904:25  Preassigned    5.05, 5.39 A)
 &rst
  ixpk= 1904, nxpk= 25, iat= 831,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 367, 368, 369,
 &end
#
#   24 GLU  HA           23 ILE  QD1         7.00    (#   1905:25  Preassigned    6.59, 7.10 A)
 &rst
  ixpk= 1905, nxpk= 25, iat= 375,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 367, 368, 369,
 &end
#
#   59 TYR  HB-          23 ILE  QD1         5.50    (#   1906:25  Preassigned    4.17, 5.77 A)
 &rst
  ixpk= 1906, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 932, 933,
 igr2= 367, 368, 369,
 &end
#
#   26 VAL  HA           23 ILE  QD1         7.00    (#   1907:25  Preassigned    6.26, 7.13 A)
 &rst
  ixpk= 1907, nxpk= 25, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 367, 368, 369,
 &end
#
#   45 PHE  HB+          23 ILE  QD1         5.50    (#   1908:25  Preassigned    6.07, 7.45 A)
 &rst
  ixpk= 1908, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 723, 724,
 igr2= 367, 368, 369,
 &end
#
#   58 ASP  HB+          23 ILE  QD1         5.50    (#   1909:25  Preassigned    4.85, 6.00 A)
 &rst
  ixpk= 1909, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 920, 921,
 igr2= 367, 368, 369,
 &end
#
#    0 AMB  25-3:1910    25 ASN  HA          5.50    (#   1910:25  Single Ambig)
 &rst
  ixpk= 1910, nxpk= 25, iat=  -1, 390, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 463, 464, 332, 333,
 &end
#
#   26 VAL  HA           25 ASN  HA          5.50    (#   1911:25  Preassigned    4.80, 4.81 A)
 &rst
  ixpk= 1911, nxpk= 25, iat= 404, 390, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   24 GLU  HA           25 ASN  HA          5.50    (#   1912:25  Preassigned    4.76, 4.77 A)
 &rst
  ixpk= 1912, nxpk= 25, iat= 375, 390, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:1913    25 ASN  HA          5.50    (#   1913:25  Single Ambig)
 &rst
  ixpk= 1913, nxpk= 25, iat=  -1, 390, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 442, 452,
 &end
#
#   25 ASN  HD2+         25 ASN  HA          4.50    (#   1914:25  Preassigned    3.93, 4.51 A)
 &rst
  ixpk= 1914, nxpk= 25, iat=  -1, 390, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 397, 398,
 &end
#
#   26 VAL  HN           25 ASN  HA          4.50    (#   1915:25  Preassigned    3.53, 3.53 A)
 &rst
  ixpk= 1915, nxpk= 25, iat= 402, 390, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:1916     0 AMB  25-1:1916   5.50    (#   1916:25  Double Ambig)
 &rst
  ixpk= 1916, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 418, 354,
 igr2= 392, 393, 392, 393,
 &end
#
#   26 VAL  HN           25 ASN  HB+         4.50    (#   1917:25  Preassigned    3.40, 3.76 A)
 &rst
  ixpk= 1917, nxpk= 25, iat= 402,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 392, 393,
 &end
#
#   25 ASN  HD2+         25 ASN  HB+         5.50    (#   1918:25  Preassigned    2.36, 3.40 A)
 &rst
  ixpk= 1918, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 397, 398,
 igr2= 392, 393,
 &end
#
#   22 THR  HB           25 ASN  HB+         5.50    (#   1920:25  Preassigned    4.90, 5.95 A)
 &rst
  ixpk= 1920, nxpk= 25, iat= 344,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 392, 393,
 &end
#
#   21 ASP  HA           25 ASN  HB+         4.50    (#   1921:25  Preassigned    4.70, 5.29 A)
 &rst
  ixpk= 1921, nxpk= 25, iat= 330,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 392, 393,
 &end
#
#   24 GLU  HA           25 ASN  HB+         7.00    (#   1922:25  Preassigned    5.61, 6.14 A)
 &rst
  ixpk= 1922, nxpk= 25, iat= 375,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 392, 393,
 &end
#
#   23 ILE  HA           25 ASN  HB+         5.50    (#   1923:25  Preassigned    5.88, 6.55 A)
 &rst
  ixpk= 1923, nxpk= 25, iat= 356,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 392, 393,
 &end
#
#   21 ASP  HB+          25 ASN  HB+         4.50    (#   1924:25  Preassigned    3.30, 4.97 A)
 &rst
  ixpk= 1924, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 332, 333,
 igr2= 392, 393,
 &end
#
#    0 AMB  25-3:1925     0 AMB  25-1:1925   4.50    (#   1925:25  Double Ambig)
 &rst
  ixpk= 1925, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 380, 381, 380, 381,
 igr2= 392, 393, 392, 393,
 &end
#
#    0 AMB  25-3:1926     0 AMB  25-1:1926   4.50    (#   1926:25  Double Ambig)
 &rst
  ixpk= 1926, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 377, 378, 377, 378,
 igr2= 392, 393, 392, 393,
 &end
#
#    0 AMB  25-3:1927     0 AMB  25-1:1927   5.50    (#   1927:25  Double Ambig)
 &rst
  ixpk= 1927, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
 igr1= 457, 458, 444, 445, 446,
 igr2= 392, 393, 392, 393,
 &end
#
#   22 THR  QG2          25 ASN  HB+         5.50    (#   1928:25  Preassigned    5.86, 7.24 A)
 &rst
  ixpk= 1928, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 346, 347, 348,
 igr2= 392, 393,
 &end
#
#   26 VAL  QG+          25 ASN  HB+         5.50    (#   1929:25  Preassigned    4.13, 6.75 A)
 &rst
  ixpk= 1929, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 408, 409, 410, 412, 413, 414,
 igr2= 392, 393,
 &end
#
#   26 VAL  QG-          25 ASN  HB+         5.50    (#   1930:25  Preassigned    4.13, 6.75 A)
 &rst
  ixpk= 1930, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 408, 409, 410, 412, 413, 414,
 igr2= 392, 393,
 &end
#
#   26 VAL  QG-          25 ASN  HB-         4.50    (#   1931:25  Preassigned    4.13, 6.75 A)
 &rst
  ixpk= 1931, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 408, 409, 410, 412, 413, 414,
 igr2= 392, 393,
 &end
#
#   26 VAL  QG+          25 ASN  HB-         4.50    (#   1932:25  Preassigned    4.13, 6.75 A)
 &rst
  ixpk= 1932, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 408, 409, 410, 412, 413, 414,
 igr2= 392, 393,
 &end
#
#   22 THR  QG2          25 ASN  HB-         5.50    (#   1933:25  Preassigned    5.86, 7.24 A)
 &rst
  ixpk= 1933, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 346, 347, 348,
 igr2= 392, 393,
 &end
#
#    0 AMB  25-3:1934    25 ASN  HB-         4.50    (#   1934:25  Single Ambig)
 &rst
  ixpk= 1934, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 457, 458, 444, 445, 446,
 igr2= 392, 393,
 &end
#
#    0 AMB  25-3:1935    25 ASN  HB-         5.50    (#   1935:25  Single Ambig)
 &rst
  ixpk= 1935, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 457, 458, 460, 461,
 igr2= 392, 393,
 &end
#
#    0 AMB  25-3:1936    25 ASN  HB-         5.50    (#   1936:25  Single Ambig)
 &rst
  ixpk= 1936, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 377, 378, 377, 378,
 igr2= 392, 393,
 &end
#
#    0 AMB  25-3:1937    25 ASN  HB-         5.50    (#   1937:25  Single Ambig)
 &rst
  ixpk= 1937, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 380, 381, 380, 381,
 igr2= 392, 393,
 &end
#
#   21 ASP  HB+          25 ASN  HB-         4.50    (#   1938:25  Preassigned    3.30, 4.97 A)
 &rst
  ixpk= 1938, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 332, 333,
 igr2= 392, 393,
 &end
#
#   23 ILE  HA           25 ASN  HB-         5.50    (#   1939:25  Preassigned    5.88, 6.55 A)
 &rst
  ixpk= 1939, nxpk= 25, iat= 356,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 392, 393,
 &end
#
#   21 ASP  HA           25 ASN  HB-         4.50    (#   1940:25  Preassigned    4.70, 5.29 A)
 &rst
  ixpk= 1940, nxpk= 25, iat= 330,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 392, 393,
 &end
#
#   22 THR  HB           25 ASN  HB-         5.50    (#   1941:25  Preassigned    4.90, 5.95 A)
 &rst
  ixpk= 1941, nxpk= 25, iat= 344,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 392, 393,
 &end
#
#   25 ASN  HD2+         25 ASN  HB-         5.50    (#   1942:25  Preassigned    2.36, 3.40 A)
 &rst
  ixpk= 1942, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 397, 398,
 igr2= 392, 393,
 &end
#
#   26 VAL  HN           25 ASN  HB-         4.50    (#   1943:25  Preassigned    3.40, 3.76 A)
 &rst
  ixpk= 1943, nxpk= 25, iat= 402,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 392, 393,
 &end
#
#    0 AMB  25-3:1944    25 ASN  HB-         5.50    (#   1944:25  Single Ambig)
 &rst
  ixpk= 1944, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 418, 354,
 igr2= 392, 393,
 &end
#
#   27 LYS  HN           26 VAL  HA          4.50    (#   1945:25  Preassigned    3.54, 3.55 A)
 &rst
  ixpk= 1945, nxpk= 25, iat= 418, 404, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 ILE  HN           26 VAL  HA          5.50    (#   1946:25  Preassigned    4.48, 4.53 A)
 &rst
  ixpk= 1946, nxpk= 25, iat= 472, 404, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   29 LYS  HN           26 VAL  HA          4.50    (#   1947:25  Preassigned    3.55, 3.56 A)
 &rst
  ixpk= 1947, nxpk= 25, iat= 450, 404, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   25 ASN  HA           26 VAL  HA          5.50    (#   1948:25  Preassigned    4.80, 4.81 A)
 &rst
  ixpk= 1948, nxpk= 25, iat= 390, 404, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   29 LYS  HA           26 VAL  HA          5.50    (#   1949:25  Preassigned    5.53, 5.58 A)
 &rst
  ixpk= 1949, nxpk= 25, iat= 452, 404, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   23 ILE  HA           26 VAL  HA          5.50    (#   1950:25  Preassigned    5.06, 5.09 A)
 &rst
  ixpk= 1950, nxpk= 25, iat= 356, 404, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:1951    26 VAL  HA          4.50    (#   1951:25  Single Ambig)
 &rst
  ixpk= 1951, nxpk= 25, iat=  -1, 404, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 463, 464, 392, 393,
 &end
#
#    0 AMB  25-3:1952    26 VAL  HA          4.50    (#   1952:25  Single Ambig)
 &rst
  ixpk= 1952, nxpk= 25, iat=  -1, 404, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 463, 464, 332, 333,
 &end
#
#   25 ASN  HB-          26 VAL  HA          5.50    (#   1953:25  Preassigned    4.13, 5.13 A)
 &rst
  ixpk= 1953, nxpk= 25, iat=  -1, 404, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 392, 393,
 &end
#
#   21 ASP  HB+          26 VAL  HA          5.50    (#   1954:25  Preassigned    4.97, 5.69 A)
 &rst
  ixpk= 1954, nxpk= 25, iat=  -1, 404, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 332, 333,
 &end
#
#   26 VAL  HB           26 VAL  HA          3.50    (#   1955:25  Preassigned    3.02, 3.02 A)
 &rst
  ixpk= 1955, nxpk= 25, iat= 406, 404, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   29 LYS  HB+          26 VAL  HA          4.50    (#   1956:25  Preassigned    3.27, 3.99 A)
 &rst
  ixpk= 1956, nxpk= 25, iat=  -1, 404, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 454, 455,
 &end
#
#   29 LYS  HB-          26 VAL  HA          4.50    (#   1957:25  Preassigned    3.27, 3.99 A)
 &rst
  ixpk= 1957, nxpk= 25, iat=  -1, 404, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 454, 455,
 &end
#
#   29 LYS  HG-          26 VAL  HA          4.50    (#   1958:25  Unique         2.07, 2.86 A)
 &rst
  ixpk= 1958, nxpk= 25, iat=  -1, 404, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 457, 458,
 &end
#
#   29 LYS  HG+          26 VAL  HA          4.50    (#   1959:25  Preassigned    2.07, 2.86 A)
 &rst
  ixpk= 1959, nxpk= 25, iat=  -1, 404, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 457, 458,
 &end
#
#   15 LEU  HB+          26 VAL  HA          5.50    (#   1960:25  Preassigned    6.19, 6.44 A)
 &rst
  ixpk= 1960, nxpk= 25, iat=  -1, 404, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 242, 243,
 &end
#
#    0 AMB  25-3:1961    26 VAL  HA          5.50    (#   1961:25  Single Ambig)
 &rst
  ixpk= 1961, nxpk= 25, iat=  -1, 404, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  51,  52,  53, 367, 368, 369,
 &end
#
#   17 VAL  QG+          26 VAL  HA          7.00    (#   1962:25  Preassigned    3.08, 4.83 A)
 &rst
  ixpk= 1962, nxpk= 25, iat=  -1, 404, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 278, 279, 280, 282, 283, 284,
 &end
#
#   23 ILE  QD1          26 VAL  HB          4.50    (#   1963:25  Preassigned    3.50, 4.50 A)
 &rst
  ixpk= 1963, nxpk= 25, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 367, 368, 369,
 &end
#
#    0 AMB  25-3:1964    26 VAL  HB          4.50    (#   1964:25  Single Ambig)
 &rst
  ixpk= 1964, nxpk= 25, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 422, 423, 688, 799, 800,
 &end
#
#    0 AMB  25-3:1965    26 VAL  HB          5.50    (#   1965:25  Single Ambig)
 &rst
  ixpk= 1965, nxpk= 25, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 893, 428, 429,
 &end
#
#    0 AMB  25-3:1966    26 VAL  HB          5.50    (#   1966:25  Single Ambig)
 &rst
  ixpk= 1966, nxpk= 25, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 422, 423, 482, 483,
 &end
#
#   26 VAL  HA           26 VAL  HB          4.50    (#   1967:25  Preassigned    3.02, 3.02 A)
 &rst
  ixpk= 1967, nxpk= 25, iat= 404, 406, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   23 ILE  HA           26 VAL  HB          3.50    (#   1968:25  Preassigned    2.38, 2.41 A)
 &rst
  ixpk= 1968, nxpk= 25, iat= 356, 406, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   25 ASN  HA           26 VAL  HB          5.50    (#   1969:25  Preassigned    5.77, 5.81 A)
 &rst
  ixpk= 1969, nxpk= 25, iat= 390, 406, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:1970    26 VAL  HB          4.50    (#   1970:25  Single Ambig)
 &rst
  ixpk= 1970, nxpk= 25, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 388, 440, 450,
 &end
#
#   27 LYS  HN           26 VAL  HB          4.50    (#   1971:25  Preassigned    2.43, 2.52 A)
 &rst
  ixpk= 1971, nxpk= 25, iat= 418, 406, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 ILE  HN           26 VAL  QG-         4.50    (#   1972:25  Preassigned    4.27, 6.12 A)
 &rst
  ixpk= 1972, nxpk= 25, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 408, 409, 410, 412, 413, 414,
 &end
#
#    0 AMB  25-3:1973    26 VAL  QG-         4.50    (#   1973:25  Single Ambig)
 &rst
  ixpk= 1973, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 388, 340, 450,
 igr2= 408, 409, 410, 412, 413, 414,
 &end
#
#   27 LYS  HA           26 VAL  QG-         4.50    (#   1974:25  Preassigned    3.33, 5.48 A)
 &rst
  ixpk= 1974, nxpk= 25, iat= 420,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 408, 409, 410, 412, 413, 414,
 &end
#
#   26 VAL  HA           26 VAL  QG-         3.50    (#   1975:25  Preassigned    2.32, 3.11 A)
 &rst
  ixpk= 1975, nxpk= 25, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 408, 409, 410, 412, 413, 414,
 &end
#
#   21 ASP  HB+          26 VAL  QG-         5.50    (#   1976:25  Preassigned    2.89, 5.66 A)
 &rst
  ixpk= 1976, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 332, 333,
 igr2= 408, 409, 410, 412, 413, 414,
 &end
#
#   29 LYS  HB+          26 VAL  QG-         4.50    (#   1977:25  Preassigned    3.92, 6.07 A)
 &rst
  ixpk= 1977, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 454, 455,
 igr2= 408, 409, 410, 412, 413, 414,
 &end
#
#   30 ILE  HG1+         26 VAL  QG-         4.50    (#   1978:25  Preassigned    2.85, 5.48 A)
 &rst
  ixpk= 1978, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 482, 483,
 igr2= 408, 409, 410, 412, 413, 414,
 &end
#
#    0 AMB  25-3:1979    26 VAL  QG-         4.50    (#   1979:25  Single Ambig)
 &rst
  ixpk= 1979, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 893, 457, 458,
 igr2= 408, 409, 410, 412, 413, 414,
 &end
#
#    0 AMB  25-3:1980    26 VAL  QG-         4.50    (#   1980:25  Single Ambig)
 &rst
  ixpk= 1980, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 457, 458, 425, 426,1065,1066,
 igr2= 408, 409, 410, 412, 413, 414,
 &end
#
#    0 AMB  25-3:1981    26 VAL  QG-         4.50    (#   1981:25  Single Ambig)
 &rst
  ixpk= 1981, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.39, r4= 8.89,
 igr1= 425, 426, 245, 422, 423, 460, 461,
 igr2= 408, 409, 410, 412, 413, 414,
 &end
#
#    0 AMB  25-3:1982    26 VAL  QG-         4.50    (#   1982:25  Single Ambig)
 &rst
  ixpk= 1982, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 890, 891, 242, 243,
 igr2= 408, 409, 410, 412, 413, 414,
 &end
#
#   17 VAL  QG+          26 VAL  QG-         5.50    (#   1983:25  Preassigned    2.81, 5.38 A)
 &rst
  ixpk= 1983, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 278, 279, 280, 282, 283, 284,
 igr2= 408, 409, 410, 412, 413, 414,
 &end
#
#   17 VAL  QG+          26 VAL  QG+         4.50    (#   1984:25  Preassigned    2.81, 5.38 A)
 &rst
  ixpk= 1984, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 278, 279, 280, 282, 283, 284,
 igr2= 408, 409, 410, 412, 413, 414,
 &end
#
#   29 LYS  HD-          26 VAL  QG+         4.50    (#   1985:25  Preassigned    5.09, 7.04 A)
 &rst
  ixpk= 1985, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 460, 461,
 igr2= 408, 409, 410, 412, 413, 414,
 &end
#
#    0 AMB  25-3:1986     0 AMB  25-1:1986   4.50    (#   1986:25  Double Ambig)
 &rst
  ixpk= 1986, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1= 457, 458, 425, 426,
 igr2= 408, 409, 410, 412, 413, 414, 408, 409, 410, 412,
       413, 414,
 &end
#
#    0 AMB  25-3:1987     0 AMB  25-1:1987   4.50    (#   1987:25  Double Ambig)
 &rst
  ixpk= 1987, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 893, 457, 458,
 igr2= 408, 409, 410, 412, 413, 414, 408, 409, 410, 412,
       413, 414,
 &end
#
#   56 LEU  HB+          26 VAL  QG+         4.50    (#   1988:25  Preassigned    5.08, 6.70 A)
 &rst
  ixpk= 1988, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 890, 891,
 igr2= 408, 409, 410, 412, 413, 414,
 &end
#
#   26 VAL  HB           26 VAL  QG+         3.50    (#   1989:25  Preassigned    2.23, 2.63 A)
 &rst
  ixpk= 1989, nxpk= 25, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 408, 409, 410, 412, 413, 414,
 &end
#
#   21 ASP  HB+          26 VAL  QG+         3.50    (#   1990:25  Preassigned    2.89, 5.66 A)
 &rst
  ixpk= 1990, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 332, 333,
 igr2= 408, 409, 410, 412, 413, 414,
 &end
#
#   21 ASP  HB-          26 VAL  QG+         4.50    (#   1991:25  Preassigned    2.89, 5.66 A)
 &rst
  ixpk= 1991, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 332, 333,
 igr2= 408, 409, 410, 412, 413, 414,
 &end
#
#   25 ASN  HB+          26 VAL  QG+         4.50    (#   1992:25  Preassigned    4.13, 6.75 A)
 &rst
  ixpk= 1992, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 392, 393,
 igr2= 408, 409, 410, 412, 413, 414,
 &end
#
#   26 VAL  HA           26 VAL  QG+         3.50    (#   1993:25  Preassigned    2.32, 3.11 A)
 &rst
  ixpk= 1993, nxpk= 25, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 408, 409, 410, 412, 413, 414,
 &end
#
#   23 ILE  HA           26 VAL  QG+         4.50    (#   1994:25  Preassigned    2.38, 4.04 A)
 &rst
  ixpk= 1994, nxpk= 25, iat= 356,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 408, 409, 410, 412, 413, 414,
 &end
#
#   25 ASN  HA           26 VAL  QG+         5.50    (#   1995:25  Preassigned    5.53, 6.82 A)
 &rst
  ixpk= 1995, nxpk= 25, iat= 390,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 408, 409, 410, 412, 413, 414,
 &end
#
#    0 AMB  25-3:1996     0 AMB  25-1:1996   5.50    (#   1996:25  Double Ambig)
 &rst
  ixpk= 1996, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 330, 274,
 igr2= 408, 409, 410, 412, 413, 414, 408, 409, 410, 412,
       413, 414,
 &end
#
#    0 AMB  25-3:1997     0 AMB  25-1:1997   4.50    (#   1997:25  Double Ambig)
 &rst
  ixpk= 1997, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.75, r4= 9.25,
 igr1= 388, 340, 450,
 igr2= 408, 409, 410, 412, 413, 414, 408, 409, 410, 412,
       413, 414, 408, 409, 410, 412, 413, 414,
 &end
#
#   26 VAL  HN           26 VAL  QG+         3.50    (#   1998:25  Preassigned    2.18, 3.78 A)
 &rst
  ixpk= 1998, nxpk= 25, iat= 402,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 408, 409, 410, 412, 413, 414,
 &end
#
#   27 LYS  HN           26 VAL  QG+         4.50    (#   1999:25  Preassigned    3.35, 4.44 A)
 &rst
  ixpk= 1999, nxpk= 25, iat= 418,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 408, 409, 410, 412, 413, 414,
 &end
#
#    0 AMB  25-3:2000     0 AMB  25-1:2000   3.50    (#   2000:25  Double Ambig)
 &rst
  ixpk= 2000, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=  51,  52,  53, 367, 368, 369,
 igr2= 408, 409, 410, 412, 413, 414, 408, 409, 410, 412,
       413, 414,
 &end
#
#   27 LYS  HG+          27 LYS  HA          4.50    (#   2001:25  Preassigned    2.11, 3.02 A)
 &rst
  ixpk= 2001, nxpk= 25, iat=  -1, 420, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 425, 426,
 &end
#
#   38 PRO  HB+          27 LYS  HA          4.50    (#   2002:25  Preassigned    4.56, 5.36 A)
 &rst
  ixpk= 2002, nxpk= 25, iat=  -1, 420, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 604, 605,
 &end
#
#    0 AMB  25-3:2003    27 LYS  HA          5.50    (#   2003:25  Single Ambig)
 &rst
  ixpk= 2003, nxpk= 25, iat=  -1, 420, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 607, 442,
 &end
#
#   41 GLN  HE2+         27 LYS  HA          4.50    (#   2004:25  Preassigned    2.79, 3.55 A)
 &rst
  ixpk= 2004, nxpk= 25, iat=  -1, 420, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 652, 653,
 &end
#
#   41 GLN  HE2-         27 LYS  HA          4.50    (#   2005:25  Preassigned    2.79, 3.55 A)
 &rst
  ixpk= 2005, nxpk= 25, iat=  -1, 420, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 652, 653,
 &end
#
#   28 ALA  HN           27 LYS  HA          4.50    (#   2006:25  Preassigned    3.56, 3.56 A)
 &rst
  ixpk= 2006, nxpk= 25, iat= 440, 420, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 ILE  HN           27 LYS  HA          4.50    (#   2007:25  Preassigned    3.39, 3.46 A)
 &rst
  ixpk= 2007, nxpk= 25, iat= 472, 420, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   27 LYS  HN           27 LYS  HB+         4.50    (#   2008:25  Preassigned    2.07, 3.07 A)
 &rst
  ixpk= 2008, nxpk= 25, iat= 418,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 422, 423,
 &end
#
#   28 ALA  HN           27 LYS  HB+         4.50    (#   2009:25  Preassigned    2.36, 2.97 A)
 &rst
  ixpk= 2009, nxpk= 25, iat= 440,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 422, 423,
 &end
#
#   27 LYS  HA           27 LYS  HB+         4.50    (#   2010:25  Preassigned    2.40, 2.74 A)
 &rst
  ixpk= 2010, nxpk= 25, iat= 420,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 422, 423,
 &end
#
#   38 PRO  HA           27 LYS  HB+         4.50    (#   2011:25  Preassigned    2.52, 3.20 A)
 &rst
  ixpk= 2011, nxpk= 25, iat= 607,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 422, 423,
 &end
#
#   24 GLU  HA           27 LYS  HB+         5.50    (#   2012:25  Preassigned    3.11, 3.94 A)
 &rst
  ixpk= 2012, nxpk= 25, iat= 375,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 422, 423,
 &end
#
#   27 LYS  HE+          27 LYS  HB+         4.50    (#   2013:25  Preassigned    3.47, 4.28 A)
 &rst
  ixpk= 2013, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 431, 432,
 igr2= 422, 423,
 &end
#
#   38 PRO  HB+          27 LYS  HB+         4.50    (#   2014:25  Preassigned    1.92, 3.10 A)
 &rst
  ixpk= 2014, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 604, 605,
 igr2= 422, 423,
 &end
#
#    0 AMB  25-3:2015     0 AMB  25-1:2015   3.50    (#   2015:25  Double Ambig)
 &rst
  ixpk= 2015, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 428, 429, 425, 426,
 igr2= 422, 423, 422, 423,
 &end
#
#    0 AMB  25-3:2016     0 AMB  25-1:2016   4.50    (#   2016:25  Double Ambig)
 &rst
  ixpk= 2016, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 360, 361, 362, 690, 691, 692, 694, 695, 696,
 igr2= 422, 423, 422, 423,
 &end
#
#   32 ASP  HB-           0 AMB  25-1:2017   5.50    (#   2017:25  Single Ambig)
 &rst
  ixpk= 2017, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 512, 513,
 igr2= 524, 525, 498, 499,
 &end
#
#    0 AMB  25-3:2018     0 AMB  25-1:2018   5.50    (#   2018:25  Double Ambig)
 &rst
  ixpk= 2018, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 512, 513, 512, 513,
 igr2= 524, 525, 498, 499,
 &end
#
#    0 AMB  25-3:2019     0 AMB  25-1:2019   4.50    (#   2019:25  Double Ambig)
 &rst
  ixpk= 2019, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 533, 534, 533, 534,
 igr2= 524, 525, 524, 525,
 &end
#
#   30 ILE  HA           33 LYS  HB+         4.50    (#   2020:25  Preassigned    2.53, 3.45 A)
 &rst
  ixpk= 2020, nxpk= 25, iat= 474,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 524, 525,
 &end
#
#    0 AMB  25-3:2021     0 AMB  25-1:2021   4.50    (#   2021:25  Double Ambig)
 &rst
  ixpk= 2021, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 607, 559, 560,
 igr2= 422, 423, 498, 499,
 &end
#
#    0 AMB  25-3:2022     0 AMB  25-1:2022   4.50    (#   2022:25  Double Ambig)
 &rst
  ixpk= 2022, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 593, 420,
 igr2= 498, 499, 422, 423,
 &end
#
#   28 ALA  HN           27 LYS  HB-         4.50    (#   2023:25  Preassigned    2.36, 2.97 A)
 &rst
  ixpk= 2023, nxpk= 25, iat= 440,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 422, 423,
 &end
#
#    0 AMB  25-3:2024     0 AMB  25-1:2024   5.50    (#   2024:25  Double Ambig)
 &rst
  ixpk= 2024, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 508, 402,
 igr2= 498, 499, 422, 423, 524, 525,
 &end
#
#   27 LYS  HN           27 LYS  HB-         4.50    (#   2025:25  Preassigned    2.07, 3.07 A)
 &rst
  ixpk= 2025, nxpk= 25, iat= 418,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 422, 423,
 &end
#
#   70 VAL  HN           70 VAL  HB          4.50    (#   2026:25  Preassigned    2.59, 2.95 A)
 &rst
  ixpk= 2026, nxpk= 25, iat=1116,1120, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 LEU  HB+          15 LEU  HG          3.50    (#   2027:25  Preassigned    2.80, 2.84 A)
 &rst
  ixpk= 2027, nxpk= 25, iat=  -1, 245, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 242, 243,
 &end
#
#   15 LEU  HA           15 LEU  HG          4.50    (#   2028:25  Preassigned    3.60, 3.60 A)
 &rst
  ixpk= 2028, nxpk= 25, iat= 240, 245, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   27 LYS  HA           27 LYS  HG-         4.50    (#   2029:25  Preassigned    2.11, 3.02 A)
 &rst
  ixpk= 2029, nxpk= 25, iat= 420,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 425, 426,
 &end
#
#    0 AMB  25-3:2030     0 AMB  25-1:2030   4.50    (#   2030:25  Double Ambig)
 &rst
  ixpk= 2030, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 257, 402, 657,
 igr2= 245, 425, 426,
 &end
#
#   30 ILE  HN           27 LYS  HG-         7.00    (#   2031:25  Preassigned    5.43, 6.23 A)
 &rst
  ixpk= 2031, nxpk= 25, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 425, 426,
 &end
#
#   15 LEU  HN           15 LEU  HG          4.50    (#   2032:25  Unique         2.61, 2.75 A)
 &rst
  ixpk= 2032, nxpk= 25, iat= 238, 245, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   27 LYS  HB-          27 LYS  HG-         4.50    (#   2033:25  Preassigned    2.22, 2.70 A)
 &rst
  ixpk= 2033, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 422, 423,
 igr2= 425, 426,
 &end
#
#   29 LYS  HN           29 LYS  HG+         4.50    (#   2034:25  Preassigned    1.92, 2.35 A)
 &rst
  ixpk= 2034, nxpk= 25, iat= 450,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 457, 458,
 &end
#
#   29 LYS  HA           29 LYS  HG+         3.50    (#   2035:25  Preassigned    2.70, 3.28 A)
 &rst
  ixpk= 2035, nxpk= 25, iat= 452,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 457, 458,
 &end
#
#   26 VAL  HA           29 LYS  HG+         5.50    (#   2036:25  Preassigned    2.07, 2.86 A)
 &rst
  ixpk= 2036, nxpk= 25, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 457, 458,
 &end
#
#   29 LYS  HE-          29 LYS  HG+         4.50    (#   2037:25  Preassigned    2.22, 2.93 A)
 &rst
  ixpk= 2037, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 463, 464,
 igr2= 457, 458,
 &end
#
#   29 LYS  HB+          29 LYS  HG+         4.50    (#   2038:25  Preassigned    2.21, 2.67 A)
 &rst
  ixpk= 2038, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 454, 455,
 igr2= 457, 458,
 &end
#
#   29 LYS  HB-          29 LYS  HG+         3.50    (#   2039:25  Preassigned    2.21, 2.67 A)
 &rst
  ixpk= 2039, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 454, 455,
 igr2= 457, 458,
 &end
#
#    0 AMB  25-3:2040     0 AMB  25-1:2040   4.50    (#   2040:25  Double Ambig)
 &rst
  ixpk= 2040, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.82, r4=10.32,
 igr1= 247, 248, 249, 251, 252, 253, 247, 248, 249, 251,
       252, 253, 278, 279, 280, 282, 283, 284,
 igr2= 457, 458, 457, 458, 457, 458,
 &end
#
#   27 LYS  HA           27 LYS  HD+         5.50    (#   2041:25  Preassigned    3.65, 4.22 A)
 &rst
  ixpk= 2041, nxpk= 25, iat= 420,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 428, 429,
 &end
#
#   38 PRO  HA           27 LYS  HD+         5.50    (#   2042:25  Preassigned    2.74, 3.53 A)
 &rst
  ixpk= 2042, nxpk= 25, iat= 607,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 428, 429,
 &end
#
#   24 GLU  HA           27 LYS  HD+         5.50    (#   2043:25  Preassigned    3.35, 4.29 A)
 &rst
  ixpk= 2043, nxpk= 25, iat= 375,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 428, 429,
 &end
#
#    0 AMB  25-3:2044     0 AMB  25-1:2044   5.50    (#   2044:25  Double Ambig)
 &rst
  ixpk= 2044, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=1161,1162,1161,1162,
 igr2= 428, 429, 428, 429,
 &end
#
#   27 LYS  HE+          27 LYS  HD+         4.50    (#   2045:25  Preassigned    2.22, 2.69 A)
 &rst
  ixpk= 2045, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 431, 432,
 igr2= 428, 429,
 &end
#
#   38 PRO  HB+          27 LYS  HD+         5.50    (#   2046:25  Preassigned    3.61, 4.04 A)
 &rst
  ixpk= 2046, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 604, 605,
 igr2= 428, 429,
 &end
#
#   27 LYS  HB-          27 LYS  HD+         4.50    (#   2047:25  Unique         1.95, 2.90 A)
 &rst
  ixpk= 2047, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 422, 423,
 igr2= 428, 429,
 &end
#
#    0 AMB  25-3:2048     0 AMB  25-1:2048   3.50    (#   2048:25  Double Ambig)
 &rst
  ixpk= 2048, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr1= 664, 665, 664, 665, 799, 800, 688,
 igr2= 428, 429, 428, 429, 428, 429, 428, 429,
 &end
#
#    0 AMB  25-3:2049     0 AMB  25-1:2049   4.50    (#   2049:25  Double Ambig)
 &rst
  ixpk= 2049, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 360, 361, 362, 690, 691, 692, 694, 695, 696,
 igr2= 428, 429, 428, 429,
 &end
#
#    0 AMB  25-3:2050    27 LYS  HE-         3.50    (#   2050:25  Single Ambig)
 &rst
  ixpk= 2050, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 690, 691, 692, 694, 695, 696, 690, 691, 692, 694,
       695, 696, 360, 361, 362,
 igr2= 431, 432,
 &end
#
#   27 LYS  HG-          27 LYS  HE-         4.50    (#   2051:25  Preassigned    1.95, 3.04 A)
 &rst
  ixpk= 2051, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 425, 426,
 igr2= 431, 432,
 &end
#
#    0 AMB  25-3:2052    27 LYS  HE-         3.50    (#   2052:25  Single Ambig)
 &rst
  ixpk= 2052, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 425, 426, 428, 429,
 igr2= 431, 432,
 &end
#
#    0 AMB  25-3:2053    27 LYS  HE-         5.50    (#   2053:25  Single Ambig)
 &rst
  ixpk= 2053, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 422, 423, 482, 483,
 igr2= 431, 432,
 &end
#
#    0 AMB  25-3:2054    27 LYS  HE-         4.50    (#   2054:25  Single Ambig)
 &rst
  ixpk= 2054, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 644, 645, 644, 645,1155,1156, 364, 365,
 igr2= 431, 432,
 &end
#
#    0 AMB  25-3:2055    27 LYS  HE-         5.50    (#   2055:25  Single Ambig)
 &rst
  ixpk= 2055, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 607, 642,
 igr2= 431, 432,
 &end
#
#    0 AMB  25-3:2056    27 LYS  HE-         5.50    (#   2056:25  Single Ambig)
 &rst
  ixpk= 2056, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 418,1151,
 igr2= 431, 432,
 &end
#
#    0 AMB  25-3:2057     0 AMB  25-1:2057   5.50    (#   2057:25  Double Ambig)
 &rst
  ixpk= 2057, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 418,1151,
 igr2= 431, 432, 431, 432,
 &end
#
#   43 LEU  HN           27 LYS  HE-         7.00    (#   2058:25  Preassigned    2.11, 2.81 A)
 &rst
  ixpk= 2058, nxpk= 25, iat= 681,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 431, 432,
 &end
#
#   43 LEU  HN           27 LYS  HE+         5.50    (#   2059:25  Preassigned    2.11, 2.81 A)
 &rst
  ixpk= 2059, nxpk= 25, iat= 681,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 431, 432,
 &end
#
#   27 LYS  HA           27 LYS  HE+         7.00    (#   2060:25  Preassigned    3.65, 4.17 A)
 &rst
  ixpk= 2060, nxpk= 25, iat= 420,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 431, 432,
 &end
#
#    0 AMB  25-3:2061     0 AMB  25-1:2061   5.50    (#   2061:25  Double Ambig)
 &rst
  ixpk= 2061, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 607, 642,
 igr2= 431, 432, 431, 432,
 &end
#
#   24 GLU  HA           27 LYS  HE+         7.00    (#   2062:25  Preassigned    5.22, 5.80 A)
 &rst
  ixpk= 2062, nxpk= 25, iat= 375,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 431, 432,
 &end
#
#    0 AMB  25-3:2063    27 LYS  HE-         5.50    (#   2063:25  Single Ambig)
 &rst
  ixpk= 2063, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 604, 605, 785, 786, 785, 786, 818, 819,
 igr2= 431, 432,
 &end
#
#    0 AMB  25-3:2064     0 AMB  25-1:2064   4.50    (#   2064:25  Double Ambig)
 &rst
  ixpk= 2064, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 422, 423, 482, 483,
 igr2= 431, 432, 431, 432,
 &end
#
#    0 AMB  25-3:2065     0 AMB  25-1:2065   4.50    (#   2065:25  Double Ambig)
 &rst
  ixpk= 2065, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
 igr1= 644, 645, 644, 645,1155,1156,1120,
 igr2= 431, 432, 431, 432, 431, 432, 431, 432,
 &end
#
#    0 AMB  25-3:2066     0 AMB  25-1:2066   3.50    (#   2066:25  Double Ambig)
 &rst
  ixpk= 2066, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 425, 426, 428, 429,
 igr2= 431, 432, 431, 432,
 &end
#
#   27 LYS  HG-          27 LYS  HE+         4.50    (#   2067:25  Preassigned    1.95, 3.04 A)
 &rst
  ixpk= 2067, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 425, 426,
 igr2= 431, 432,
 &end
#
#    0 AMB  25-3:2068     0 AMB  25-1:2068   3.50    (#   2068:25  Double Ambig)
 &rst
  ixpk= 2068, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 690, 691, 692, 694, 695, 696, 690, 691, 692, 694,
       695, 696, 360, 361, 362,
 igr2= 431, 432, 431, 432, 431, 432,
 &end
#
#    0 AMB  25-3:2069    28 ALA  HA          5.50    (#   2069:25  Single Ambig)
 &rst
  ixpk= 2069, nxpk= 25, iat=  -1, 442, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 482, 483, 478, 479, 480,
 &end
#
#   28 ALA  QB           28 ALA  HA          2.80    (#   2070:25  Unique         2.24, 2.63 A)
 &rst
  ixpk= 2070, nxpk= 25, iat=  -1, 442, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 444, 445, 446,
 &end
#
#   38 PRO  HB+          28 ALA  HA          4.50    (#   2071:25  Preassigned    3.60, 4.47 A)
 &rst
  ixpk= 2071, nxpk= 25, iat=  -1, 442, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 604, 605,
 &end
#
#   32 ASP  HB+          28 ALA  HA          5.50    (#   2072:25  Preassigned    5.53, 6.44 A)
 &rst
  ixpk= 2072, nxpk= 25, iat=  -1, 442, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 512, 513,
 &end
#
#    0 AMB  25-3:2073    28 ALA  HA          4.50    (#   2073:25  Single Ambig)
 &rst
  ixpk= 2073, nxpk= 25, iat=  -1, 442, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 598, 599, 598, 599,
 &end
#
#    0 AMB  25-3:2074    28 ALA  HA          4.50    (#   2074:25  Single Ambig)
 &rst
  ixpk= 2074, nxpk= 25, iat=  -1, 442, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 593, 420, 390,
 &end
#
#   41 GLN  HE2+         28 ALA  HA          5.50    (#   2075:25  Preassigned    3.96, 4.41 A)
 &rst
  ixpk= 2075, nxpk= 25, iat=  -1, 442, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 652, 653,
 &end
#
#   41 GLN  HE2-         28 ALA  HA          5.50    (#   2076:25  Preassigned    3.96, 4.41 A)
 &rst
  ixpk= 2076, nxpk= 25, iat=  -1, 442, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 652, 653,
 &end
#
#   31 GLN  HE2+         28 ALA  HA          5.50    (#   2077:25  Preassigned    5.06, 5.29 A)
 &rst
  ixpk= 2077, nxpk= 25, iat=  -1, 442, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 503, 504,
 &end
#
#   32 ASP  HN           28 ALA  HA          4.50    (#   2078:25  Preassigned    4.72, 4.77 A)
 &rst
  ixpk= 2078, nxpk= 25, iat= 508, 442, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 ILE  HN           28 ALA  HA          5.50    (#   2079:25  Preassigned    4.39, 4.44 A)
 &rst
  ixpk= 2079, nxpk= 25, iat= 472, 442, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 ASP  HN           29 LYS  HA          4.50    (#   2080:25  Preassigned    3.40, 3.42 A)
 &rst
  ixpk= 2080, nxpk= 25, iat= 508, 452, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 LEU  HA            0 AMB  25-1:2081   7.00    (#   2081:25  Single Ambig)
 &rst
  ixpk= 2081, nxpk= 25, iat= 240,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=  40, 452,
 &end
#
#   29 LYS  HE-          29 LYS  HA          4.50    (#   2082:25  Preassigned    4.29, 5.04 A)
 &rst
  ixpk= 2082, nxpk= 25, iat=  -1, 452, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 463, 464,
 &end
#
#   32 ASP  HB-          29 LYS  HA          4.50    (#   2083:25  Preassigned    2.98, 3.54 A)
 &rst
  ixpk= 2083, nxpk= 25, iat=  -1, 452, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 512, 513,
 &end
#
#    0 AMB  25-3:2084     0 AMB  25-1:2084   5.50    (#   2084:25  Double Ambig)
 &rst
  ixpk= 2084, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 495, 496,1025,1026,
 igr2= 452,  40,
 &end
#
#   29 LYS  HD-          29 LYS  HA          4.50    (#   2085:25  Preassigned    2.96, 3.67 A)
 &rst
  ixpk= 2085, nxpk= 25, iat=  -1, 452, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 460, 461,
 &end
#
#    0 AMB  25-3:2086     0 AMB  25-1:2086   4.50    (#   2086:25  Double Ambig)
 &rst
  ixpk= 2086, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.60, r4=10.10,
 igr1= 247, 248, 249, 251, 252, 253, 247, 248, 249, 251,
       252, 253,  83,  84,  85,  87,  88,  89,  83,  84,
        85,  87,  88,  89, 278, 279, 280, 282, 283, 284,
       482, 483, 247, 248, 249, 251, 252, 253, 895, 896,
       897, 899, 900, 901, 218, 219, 220,
 igr2= 452,  40,
 &end
#
#   63 LYS  HA            1 MET  HB+         4.50    (#   2087:25  Unique         2.63, 3.39 A)
 &rst
  ixpk= 2087, nxpk= 25, iat=1001,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=   8,   9,
 &end
#
#    0 AMB  25-3:2088    29 LYS  HB-         3.50    (#   2088:25  Single Ambig)
 &rst
  ixpk= 2088, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 247, 248, 249, 251, 252, 253, 247, 248, 249, 251,
       252, 253,
 igr2= 454, 455,
 &end
#
#   30 ILE  QD1          29 LYS  HB-         5.50    (#   2089:25  Preassigned    2.04, 3.75 A)
 &rst
  ixpk= 2089, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 485, 486, 487,
 igr2= 454, 455,
 &end
#
#   26 VAL  QG+          29 LYS  HB-         4.50    (#   2090:25  Preassigned    3.92, 6.07 A)
 &rst
  ixpk= 2090, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 408, 409, 410, 412, 413, 414,
 igr2= 454, 455,
 &end
#
#   29 LYS  HG+          29 LYS  HB-         3.50    (#   2091:25  Preassigned    2.21, 2.67 A)
 &rst
  ixpk= 2091, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 457, 458,
 igr2= 454, 455,
 &end
#
#    0 AMB  25-3:2092    29 LYS  HB-         4.50    (#   2092:25  Single Ambig)
 &rst
  ixpk= 2092, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 460, 461, 457, 458,
 igr2= 454, 455,
 &end
#
#   32 ASP  HB+          29 LYS  HB-         5.50    (#   2093:25  Preassigned    4.92, 5.66 A)
 &rst
  ixpk= 2093, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 512, 513,
 igr2= 454, 455,
 &end
#
#    0 AMB  25-3:2094    29 LYS  HB-         5.50    (#   2094:25  Single Ambig)
 &rst
  ixpk= 2094, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 533, 534, 533, 534, 463, 464,
 igr2= 454, 455,
 &end
#
#   26 VAL  HA           29 LYS  HB-         4.50    (#   2095:25  Preassigned    3.27, 3.99 A)
 &rst
  ixpk= 2095, nxpk= 25, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 454, 455,
 &end
#
#   30 ILE  HA           29 LYS  HB-         7.00    (#   2096:25  Preassigned    4.02, 4.35 A)
 &rst
  ixpk= 2096, nxpk= 25, iat= 474,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 454, 455,
 &end
#
#   29 LYS  HA           29 LYS  HB-         4.50    (#   2097:25  Preassigned    2.36, 2.69 A)
 &rst
  ixpk= 2097, nxpk= 25, iat= 452,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 454, 455,
 &end
#
#    0 AMB  25-3:2098    29 LYS  HB-         5.50    (#   2098:25  Single Ambig)
 &rst
  ixpk= 2098, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 508, 402, 257,
 igr2= 454, 455,
 &end
#
#   30 ILE  HN           29 LYS  HB-         4.50    (#   2099:25  Preassigned    2.49, 3.17 A)
 &rst
  ixpk= 2099, nxpk= 25, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 454, 455,
 &end
#
#   30 ILE  HN           29 LYS  HG-         5.50    (#   2100:25  Preassigned    4.09, 4.20 A)
 &rst
  ixpk= 2100, nxpk= 25, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 457, 458,
 &end
#
#    0 AMB  25-3:2101    29 LYS  HG-         5.50    (#   2101:25  Single Ambig)
 &rst
  ixpk= 2101, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 402, 508,
 igr2= 457, 458,
 &end
#
#   29 LYS  HN           29 LYS  HG-         4.50    (#   2102:25  Preassigned    1.92, 2.35 A)
 &rst
  ixpk= 2102, nxpk= 25, iat= 450,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 457, 458,
 &end
#
#   29 LYS  HA           29 LYS  HG-         4.50    (#   2103:25  Preassigned    2.70, 3.28 A)
 &rst
  ixpk= 2103, nxpk= 25, iat= 452,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 457, 458,
 &end
#
#   26 VAL  HA           29 LYS  HG-         5.50    (#   2104:25  Preassigned    2.07, 2.86 A)
 &rst
  ixpk= 2104, nxpk= 25, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 457, 458,
 &end
#
#   29 LYS  HE+          29 LYS  HG-         4.50    (#   2105:25  Preassigned    2.22, 2.93 A)
 &rst
  ixpk= 2105, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 463, 464,
 igr2= 457, 458,
 &end
#
#   29 LYS  HE-          29 LYS  HG-         4.50    (#   2106:25  Preassigned    2.22, 2.93 A)
 &rst
  ixpk= 2106, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 463, 464,
 igr2= 457, 458,
 &end
#
#    0 AMB  25-3:2107    29 LYS  HG-         5.50    (#   2107:25  Single Ambig)
 &rst
  ixpk= 2107, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 392, 393, 512, 513,
 igr2= 457, 458,
 &end
#
#   29 LYS  HB+          29 LYS  HG-         4.50    (#   2108:25  Preassigned    2.21, 2.67 A)
 &rst
  ixpk= 2108, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 454, 455,
 igr2= 457, 458,
 &end
#
#   29 LYS  HB-          29 LYS  HG-         3.50    (#   2109:25  Preassigned    2.21, 2.67 A)
 &rst
  ixpk= 2109, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 454, 455,
 igr2= 457, 458,
 &end
#
#   29 LYS  HD-          29 LYS  HG-         3.50    (#   2110:25  Preassigned    2.34, 2.73 A)
 &rst
  ixpk= 2110, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 460, 461,
 igr2= 457, 458,
 &end
#
#   15 LEU  HB+          29 LYS  HG-         5.50    (#   2111:25  Preassigned    4.84, 5.88 A)
 &rst
  ixpk= 2111, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 242, 243,
 igr2= 457, 458,
 &end
#
#   26 VAL  QG+          29 LYS  HG-         7.00    (#   2112:25  Preassigned    3.92, 5.58 A)
 &rst
  ixpk= 2112, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1= 408, 409, 410, 412, 413, 414,
 igr2= 457, 458,
 &end
#
#    0 AMB  25-3:2113    29 LYS  HG-         4.50    (#   2113:25  Single Ambig)
 &rst
  ixpk= 2113, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 247, 248, 249, 251, 252, 253, 247, 248, 249, 251,
       252, 253, 278, 279, 280, 282, 283, 284,
 igr2= 457, 458,
 &end
#
#    0 AMB  25-3:2114    67 LEU  HG          4.50    (#   2114:25  Single Ambig)
 &rst
  ixpk= 2114, nxpk= 25, iat=  -1,1068, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 976, 977, 978, 969, 970, 971,
 &end
#
#    0 AMB  25-3:2115     0 AMB  25-1:2115   2.80    (#   2115:25  Double Ambig)
 &rst
  ixpk= 2115, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=1070,1071,1072,1074,1075,1076,1070,1071,1072,1074,
      1075,1076, 247, 248, 249, 251, 252, 253, 278, 279,
       280, 282, 283, 284,
 igr2=1068, 460, 461, 460, 461,
 &end
#
#    0 AMB  25-3:2116     0 AMB  25-1:2116   5.50    (#   2116:25  Double Ambig)
 &rst
  ixpk= 2116, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 685, 686, 242, 243,
 igr2=1068, 460, 461,
 &end
#
#   29 LYS  HG+          29 LYS  HD+         3.50    (#   2117:25  Preassigned    2.34, 2.73 A)
 &rst
  ixpk= 2117, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 457, 458,
 igr2= 460, 461,
 &end
#
#   29 LYS  HB+          29 LYS  HD+         4.50    (#   2118:25  Preassigned    2.19, 2.94 A)
 &rst
  ixpk= 2118, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 454, 455,
 igr2= 460, 461,
 &end
#
#   29 LYS  HE-          29 LYS  HD+         4.50    (#   2119:25  Preassigned    2.22, 2.68 A)
 &rst
  ixpk= 2119, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 463, 464,
 igr2= 460, 461,
 &end
#
#   29 LYS  HE+          29 LYS  HD+         4.50    (#   2120:25  Preassigned    2.22, 2.68 A)
 &rst
  ixpk= 2120, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 463, 464,
 igr2= 460, 461,
 &end
#
#   26 VAL  HA           29 LYS  HD+         5.50    (#   2121:25  Preassigned    3.98, 4.74 A)
 &rst
  ixpk= 2121, nxpk= 25, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 460, 461,
 &end
#
#   29 LYS  HA           29 LYS  HD+         4.50    (#   2122:25  Preassigned    2.96, 3.67 A)
 &rst
  ixpk= 2122, nxpk= 25, iat= 452,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 460, 461,
 &end
#
#   67 LEU  HA           67 LEU  HG          4.50    (#   2123:25  Preassigned    2.64, 2.69 A)
 &rst
  ixpk= 2123, nxpk= 25, iat=1063,1068, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   29 LYS  HN           29 LYS  HD+         4.50    (#   2124:25  Preassigned    4.13, 4.41 A)
 &rst
  ixpk= 2124, nxpk= 25, iat= 450,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 460, 461,
 &end
#
#   68 HIS  HN           67 LEU  HG          4.50    (#   2125:25  Preassigned    2.10, 2.25 A)
 &rst
  ixpk= 2125, nxpk= 25, iat=1080,1068, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   67 LEU  HN           67 LEU  HG          4.50    (#   2126:25  Preassigned    4.60, 4.63 A)
 &rst
  ixpk= 2126, nxpk= 25, iat=1061,1068, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 ILE  HN           29 LYS  HD-         5.50    (#   2127:25  Preassigned    5.55, 5.69 A)
 &rst
  ixpk= 2127, nxpk= 25, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 460, 461,
 &end
#
#    0 AMB  25-3:2128    29 LYS  HD-         5.50    (#   2128:25  Single Ambig)
 &rst
  ixpk= 2128, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 257, 508, 402,
 igr2= 460, 461,
 &end
#
#   29 LYS  HN           29 LYS  HD-         4.50    (#   2129:25  Preassigned    4.13, 4.41 A)
 &rst
  ixpk= 2129, nxpk= 25, iat= 450,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 460, 461,
 &end
#
#   15 LEU  HA           29 LYS  HD-         5.50    (#   2130:25  Preassigned    5.67, 6.14 A)
 &rst
  ixpk= 2130, nxpk= 25, iat= 240,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 460, 461,
 &end
#
#   17 VAL  HA           29 LYS  HD-         5.50    (#   2131:25  Preassigned    4.81, 5.65 A)
 &rst
  ixpk= 2131, nxpk= 25, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 460, 461,
 &end
#
#   29 LYS  HA           29 LYS  HD-         4.50    (#   2132:25  Preassigned    2.96, 3.67 A)
 &rst
  ixpk= 2132, nxpk= 25, iat= 452,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 460, 461,
 &end
#
#   26 VAL  HA           29 LYS  HD-         4.50    (#   2133:25  Preassigned    3.98, 4.74 A)
 &rst
  ixpk= 2133, nxpk= 25, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 460, 461,
 &end
#
#   29 LYS  HE+          29 LYS  HD-         3.50    (#   2134:25  Preassigned    2.22, 2.68 A)
 &rst
  ixpk= 2134, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 463, 464,
 igr2= 460, 461,
 &end
#
#   29 LYS  HE-          29 LYS  HD-         4.50    (#   2135:25  Preassigned    2.22, 2.68 A)
 &rst
  ixpk= 2135, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 463, 464,
 igr2= 460, 461,
 &end
#
#    0 AMB  25-3:2136    29 LYS  HD-         5.50    (#   2136:25  Single Ambig)
 &rst
  ixpk= 2136, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 276, 406,
 igr2= 460, 461,
 &end
#
#   29 LYS  HB+          29 LYS  HD-         4.50    (#   2137:25  Preassigned    2.19, 2.94 A)
 &rst
  ixpk= 2137, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 454, 455,
 igr2= 460, 461,
 &end
#
#   29 LYS  HB-          29 LYS  HD-         4.50    (#   2138:25  Preassigned    2.19, 2.94 A)
 &rst
  ixpk= 2138, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 454, 455,
 igr2= 460, 461,
 &end
#
#   29 LYS  HG+          29 LYS  HD-         3.50    (#   2139:25  Preassigned    2.34, 2.73 A)
 &rst
  ixpk= 2139, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 457, 458,
 igr2= 460, 461,
 &end
#
#   26 VAL  QG+          29 LYS  HD-         4.50    (#   2140:25  Preassigned    5.09, 7.04 A)
 &rst
  ixpk= 2140, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 408, 409, 410, 412, 413, 414,
 igr2= 460, 461,
 &end
#
#    0 AMB  25-3:2141    29 LYS  HD-         3.50    (#   2141:25  Single Ambig)
 &rst
  ixpk= 2141, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 247, 248, 249, 251, 252, 253, 278, 279, 280, 282,
       283, 284,
 igr2= 460, 461,
 &end
#
#   17 VAL  QG+          29 LYS  HD-         7.00    (#   2142:25  Preassigned    2.53, 5.00 A)
 &rst
  ixpk= 2142, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1= 278, 279, 280, 282, 283, 284,
 igr2= 460, 461,
 &end
#
#   13 ILE  QG2           0 AMB  25-1:2143   4.50    (#   2143:25  Single Ambig)
 &rst
  ixpk= 2143, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 211, 212, 213,
 igr2= 533, 534, 533, 534,
 &end
#
#    0 AMB  25-3:2144     0 AMB  25-1:2144   5.50    (#   2144:25  Double Ambig)
 &rst
  ixpk= 2144, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 524, 525, 524, 525,
 igr2= 533, 534, 533, 534,
 &end
#
#   30 ILE  HA            0 AMB  25-1:2145   5.50    (#   2145:25  Single Ambig)
 &rst
  ixpk= 2145, nxpk= 25, iat= 474,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 533, 534, 533, 534,
 &end
#
#   14 THR  HB            0 AMB  25-1:2146   5.50    (#   2146:25  Single Ambig)
 &rst
  ixpk= 2146, nxpk= 25, iat= 228,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 533, 534, 533, 534,
 &end
#
#   33 LYS  HA            0 AMB  25-1:2147   5.50    (#   2147:25  Single Ambig)
 &rst
  ixpk= 2147, nxpk= 25, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 533, 534, 533, 534,
 &end
#
#   15 LEU  HA            0 AMB  25-1:2148   5.50    (#   2148:25  Single Ambig)
 &rst
  ixpk= 2148, nxpk= 25, iat= 240,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 533, 534, 533, 534,
 &end
#
#   18 GLU  HN           29 LYS  HE-         5.50    (#   2149:25  Preassigned    5.51, 6.31 A)
 &rst
  ixpk= 2149, nxpk= 25, iat= 288,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 463, 464,
 &end
#
#    0 AMB  25-3:2150    29 LYS  HE-         5.50    (#   2150:25  Single Ambig)
 &rst
  ixpk= 2150, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 402, 257,
 igr2= 463, 464,
 &end
#
#   29 LYS  HN           29 LYS  HE-         4.50    (#   2151:25  Unique         4.04, 4.70 A)
 &rst
  ixpk= 2151, nxpk= 25, iat= 450,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 463, 464,
 &end
#
#   17 VAL  HA           29 LYS  HE-         5.50    (#   2153:25  Preassigned    4.10, 5.27 A)
 &rst
  ixpk= 2153, nxpk= 25, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 463, 464,
 &end
#
#   29 LYS  HA           29 LYS  HE-         5.50    (#   2154:25  Preassigned    4.29, 5.04 A)
 &rst
  ixpk= 2154, nxpk= 25, iat= 452,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 463, 464,
 &end
#
#   26 VAL  HA           29 LYS  HE-         4.50    (#   2155:25  Preassigned    3.93, 4.54 A)
 &rst
  ixpk= 2155, nxpk= 25, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 463, 464,
 &end
#
#   25 ASN  HB-          29 LYS  HE-         7.00    (#   2156:25  Preassigned    3.29, 4.96 A)
 &rst
  ixpk= 2156, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 392, 393,
 igr2= 463, 464,
 &end
#
#    0 AMB  25-3:2157    29 LYS  HE-         5.50    (#   2157:25  Single Ambig)
 &rst
  ixpk= 2157, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 276, 295, 296, 406,
 igr2= 463, 464,
 &end
#
#   29 LYS  HB+          29 LYS  HE-         4.50    (#   2158:25  Unique         4.27, 4.62 A)
 &rst
  ixpk= 2158, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 454, 455,
 igr2= 463, 464,
 &end
#
#   29 LYS  HB-          29 LYS  HE-         4.50    (#   2159:25  Unique         4.27, 4.62 A)
 &rst
  ixpk= 2159, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 454, 455,
 igr2= 463, 464,
 &end
#
#   26 VAL  QG+          29 LYS  HE-         5.50    (#   2160:25  Preassigned    5.00, 6.94 A)
 &rst
  ixpk= 2160, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 408, 409, 410, 412, 413, 414,
 igr2= 463, 464,
 &end
#
#    0 AMB  25-3:2161    30 ILE  HA          5.50    (#   2161:25  Single Ambig)
 &rst
  ixpk= 2161, nxpk= 25, iat=  -1, 474, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 568, 460, 461, 245, 422, 423,
 &end
#
#    0 AMB  25-3:2162    30 ILE  HA          4.50    (#   2162:25  Single Ambig)
 &rst
  ixpk= 2162, nxpk= 25, iat=  -1, 474, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 527, 528, 527, 528,
 &end
#
#   33 LYS  HB-          30 ILE  HA          3.50    (#   2163:25  Unique         2.53, 3.45 A)
 &rst
  ixpk= 2163, nxpk= 25, iat=  -1, 474, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 524, 525,
 &end
#
#   30 ILE  HB           30 ILE  HA          4.50    (#   2164:25  Preassigned    3.01, 3.01 A)
 &rst
  ixpk= 2164, nxpk= 25, iat= 476, 474, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:2165    30 ILE  HA          5.50    (#   2165:25  Single Ambig)
 &rst
  ixpk= 2165, nxpk= 25, iat=  -1, 474, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 452, 442,
 &end
#
#    0 AMB  25-3:2166    30 ILE  HA          5.50    (#   2166:25  Single Ambig)
 &rst
  ixpk= 2166, nxpk= 25, iat=  -1, 474, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 522, 510,
 &end
#
#   27 LYS  HA           30 ILE  HA          5.50    (#   2167:25  Preassigned    5.37, 5.46 A)
 &rst
  ixpk= 2167, nxpk= 25, iat= 420, 474, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   41 GLN  HE2-         30 ILE  HA          5.50    (#   2168:25  Preassigned    4.39, 5.23 A)
 &rst
  ixpk= 2168, nxpk= 25, iat=  -1, 474, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 652, 653,
 &end
#
#   33 LYS  HN           30 ILE  HA          4.50    (#   2169:25  Preassigned    3.21, 3.24 A)
 &rst
  ixpk= 2169, nxpk= 25, iat= 520, 474, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   29 LYS  HN           30 ILE  HA          5.50    (#   2170:25  Preassigned    5.33, 5.35 A)
 &rst
  ixpk= 2170, nxpk= 25, iat= 450, 474, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 ASP  HN           30 ILE  HA          5.50    (#   2171:25  Preassigned    4.12, 4.15 A)
 &rst
  ixpk= 2171, nxpk= 25, iat= 508, 474, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   31 GLN  HN           30 ILE  HA          4.50    (#   2172:25  Preassigned    3.50, 3.51 A)
 &rst
  ixpk= 2172, nxpk= 25, iat= 491, 474, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   34 GLU  HN           30 ILE  HA          4.50    (#   2173:25  Preassigned    3.75, 3.77 A)
 &rst
  ixpk= 2173, nxpk= 25, iat= 542, 474, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   31 GLN  HN           30 ILE  HB          4.50    (#   2174:25  Preassigned    2.76, 2.78 A)
 &rst
  ixpk= 2174, nxpk= 25, iat= 491, 476, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 ILE  HN           30 ILE  HB          3.50    (#   2175:25  Preassigned    2.72, 2.75 A)
 &rst
  ixpk= 2175, nxpk= 25, iat= 472, 476, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   25 ASN  HN            0 AMB  25-1:2176   4.50    (#   2176:25  Single Ambig)
 &rst
  ixpk= 2176, nxpk= 25, iat= 388,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 380, 381, 380, 381,
 &end
#
#   41 GLN  HE2-         30 ILE  HB          4.50    (#   2177:25  Preassigned    1.93, 2.53 A)
 &rst
  ixpk= 2177, nxpk= 25, iat=  -1, 476, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 652, 653,
 &end
#
#   41 GLN  HE2+         30 ILE  HB          4.50    (#   2178:25  Preassigned    1.93, 2.53 A)
 &rst
  ixpk= 2178, nxpk= 25, iat=  -1, 476, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 652, 653,
 &end
#
#   24 GLU  HA            0 AMB  25-1:2179   4.50    (#   2179:25  Single Ambig)
 &rst
  ixpk= 2179, nxpk= 25, iat= 375,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 380, 381, 380, 381,
 &end
#
#   30 ILE  QD1          30 ILE  HB          3.50    (#   2180:25  Preassigned    3.60, 3.86 A)
 &rst
  ixpk= 2180, nxpk= 25, iat=  -1, 476, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 485, 486, 487,
 &end
#
#   30 ILE  QD1          30 ILE  HG1-        3.50    (#   2181:25  Preassigned    2.25, 2.62 A)
 &rst
  ixpk= 2181, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 485, 486, 487,
 igr2= 482, 483,
 &end
#
#    0 AMB  25-3:2182    30 ILE  HG1-        5.50    (#   2182:25  Single Ambig)
 &rst
  ixpk= 2182, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 425, 426, 457, 458, 428, 429, 527, 528,
 igr2= 482, 483,
 &end
#
#   30 ILE  HB           30 ILE  HG1-        4.50    (#   2183:25  Preassigned    2.29, 2.48 A)
 &rst
  ixpk= 2183, nxpk= 25, iat= 476,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 482, 483,
 &end
#
#   30 ILE  HA           30 ILE  HG1-        4.50    (#   2184:25  Preassigned    3.53, 3.58 A)
 &rst
  ixpk= 2184, nxpk= 25, iat= 474,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 482, 483,
 &end
#
#   41 GLN  HE2-         30 ILE  HG1-        7.00    (#   2185:25  Preassigned    3.32, 4.45 A)
 &rst
  ixpk= 2185, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 652, 653,
 igr2= 482, 483,
 &end
#
#    0 AMB  25-3:2186    30 ILE  HG1-        5.50    (#   2186:25  Single Ambig)
 &rst
  ixpk= 2186, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 450, 440,
 igr2= 482, 483,
 &end
#
#   30 ILE  HN           30 ILE  HG1-        4.50    (#   2187:25  Preassigned    2.13, 2.86 A)
 &rst
  ixpk= 2187, nxpk= 25, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 482, 483,
 &end
#
#    0 AMB  25-3:2188    30 ILE  HG1-        5.50    (#   2188:25  Single Ambig)
 &rst
  ixpk= 2188, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 491, 418,
 igr2= 482, 483,
 &end
#
#    0 AMB  25-3:2189     0 AMB  25-1:2189   5.50    (#   2189:25  Double Ambig)
 &rst
  ixpk= 2189, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 491, 418,
 igr2= 482, 483, 482, 483,
 &end
#
#   30 ILE  HN           30 ILE  HG1+        4.50    (#   2190:25  Preassigned    2.13, 2.86 A)
 &rst
  ixpk= 2190, nxpk= 25, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 482, 483,
 &end
#
#   29 LYS  HN           30 ILE  HG1+        4.50    (#   2191:25  Preassigned    4.19, 5.10 A)
 &rst
  ixpk= 2191, nxpk= 25, iat= 450,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 482, 483,
 &end
#
#   41 GLN  HE2-         30 ILE  HG1+        5.50    (#   2192:25  Preassigned    3.32, 4.45 A)
 &rst
  ixpk= 2192, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 652, 653,
 igr2= 482, 483,
 &end
#
#   27 LYS  HA           30 ILE  HG1+        5.50    (#   2193:25  Preassigned    2.10, 2.81 A)
 &rst
  ixpk= 2193, nxpk= 25, iat= 420,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 482, 483,
 &end
#
#   30 ILE  HA           30 ILE  HG1+        4.50    (#   2194:25  Preassigned    3.53, 3.58 A)
 &rst
  ixpk= 2194, nxpk= 25, iat= 474,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 482, 483,
 &end
#
#   30 ILE  HB           30 ILE  HG1+        4.50    (#   2195:25  Preassigned    2.29, 2.48 A)
 &rst
  ixpk= 2195, nxpk= 25, iat= 476,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 482, 483,
 &end
#
#   34 GLU  HG-          30 ILE  HG1+        4.50    (#   2196:25  Preassigned    4.92, 5.71 A)
 &rst
  ixpk= 2196, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 549, 550,
 igr2= 482, 483,
 &end
#
#   30 ILE  QD1          30 ILE  HG1+        3.50    (#   2197:25  Preassigned    2.25, 2.62 A)
 &rst
  ixpk= 2197, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 485, 486, 487,
 igr2= 482, 483,
 &end
#
#   27 LYS  HE+          30 ILE  QD1         7.00    (#   2198:25  Preassigned    6.86, 7.92 A)
 &rst
  ixpk= 2198, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 431, 432,
 igr2= 485, 486, 487,
 &end
#
#   30 ILE  HA           30 ILE  QD1         4.50    (#   2199:25  Preassigned    1.93, 2.81 A)
 &rst
  ixpk= 2199, nxpk= 25, iat= 474,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 485, 486, 487,
 &end
#
#   31 GLN  HA           30 ILE  QD1         7.00    (#   2200:25  Preassigned    6.53, 7.07 A)
 &rst
  ixpk= 2200, nxpk= 25, iat= 493,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 485, 486, 487,
 &end
#
#   28 ALA  HA           30 ILE  QD1         7.00    (#   2201:25  Unique         6.39, 7.24 A)
 &rst
  ixpk= 2201, nxpk= 25, iat= 442,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 485, 486, 487,
 &end
#
#    5 VAL  HA           30 ILE  QD1         5.50    (#   2202:25  Preassigned    5.49, 6.38 A)
 &rst
  ixpk= 2202, nxpk= 25, iat=  79,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 485, 486, 487,
 &end
#
#   69 LEU  HA           30 ILE  QD1         5.50    (#   2203:25  Preassigned    6.32, 6.86 A)
 &rst
  ixpk= 2203, nxpk= 25, iat=1099,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 485, 486, 487,
 &end
#
#   41 GLN  HE2+         30 ILE  QD1         5.50    (#   2204:25  Preassigned    5.08, 6.14 A)
 &rst
  ixpk= 2204, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 652, 653,
 igr2= 485, 486, 487,
 &end
#
#   41 GLN  HE2-         30 ILE  QD1         5.50    (#   2205:25  Preassigned    5.08, 6.14 A)
 &rst
  ixpk= 2205, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 652, 653,
 igr2= 485, 486, 487,
 &end
#
#   29 LYS  HN           30 ILE  QD1         4.50    (#   2206:25  Unique         3.91, 5.00 A)
 &rst
  ixpk= 2206, nxpk= 25, iat= 450,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 485, 486, 487,
 &end
#
#    0 AMB  25-3:2207    30 ILE  QD1         5.50    (#   2207:25  Single Ambig)
 &rst
  ixpk= 2207, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 508, 402,
 igr2= 485, 486, 487,
 &end
#
#   34 GLU  HN           31 GLN  HA          4.50    (#   2209:25  Preassigned    3.37, 3.38 A)
 &rst
  ixpk= 2209, nxpk= 25, iat= 542, 493, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 ILE  HN           31 GLN  HA          5.50    (#   2210:25  Preassigned    5.24, 5.27 A)
 &rst
  ixpk= 2210, nxpk= 25, iat= 472, 493, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 ASP  HN           31 GLN  HA          4.50    (#   2211:25  Preassigned    3.50, 3.50 A)
 &rst
  ixpk= 2211, nxpk= 25, iat= 508, 493, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   33 LYS  HN           31 GLN  HA          5.50    (#   2212:25  Preassigned    3.95, 3.97 A)
 &rst
  ixpk= 2212, nxpk= 25, iat= 520, 493, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   31 GLN  HE2+         31 GLN  HA          5.50    (#   2213:25  Preassigned    5.18, 5.64 A)
 &rst
  ixpk= 2213, nxpk= 25, iat=  -1, 493, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 503, 504,
 &end
#
#   31 GLN  HE2-         31 GLN  HA          5.50    (#   2214:25  Preassigned    5.18, 5.64 A)
 &rst
  ixpk= 2214, nxpk= 25, iat=  -1, 493, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 503, 504,
 &end
#
#   41 GLN  HE2-         31 GLN  HA          5.50    (#   2215:25  Preassigned    3.00, 3.81 A)
 &rst
  ixpk= 2215, nxpk= 25, iat=  -1, 493, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 652, 653,
 &end
#
#    0 AMB  25-3:2216    31 GLN  HA          5.50    (#   2216:25  Single Ambig)
 &rst
  ixpk= 2216, nxpk= 25, iat=  -1, 493, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 593, 544,
 &end
#
#   36 ILE  HA           31 GLN  HA          5.50    (#   2217:25  Preassigned    4.19, 4.21 A)
 &rst
  ixpk= 2217, nxpk= 25, iat= 566, 493, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:2218    31 GLN  HA          4.50    (#   2218:25  Single Ambig)
 &rst
  ixpk= 2218, nxpk= 25, iat=  -1, 493, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 559, 560, 442,
 &end
#
#   30 ILE  HA           31 GLN  HA          5.50    (#   2219:25  Preassigned    4.78, 4.78 A)
 &rst
  ixpk= 2219, nxpk= 25, iat= 474, 493, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   31 GLN  HB+          31 GLN  HA          3.50    (#   2220:25  Preassigned    2.44, 2.74 A)
 &rst
  ixpk= 2220, nxpk= 25, iat=  -1, 493, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 495, 496,
 &end
#
#    0 AMB  25-3:2221    31 GLN  HA          5.50    (#   2221:25  Single Ambig)
 &rst
  ixpk= 2221, nxpk= 25, iat=  -1, 493, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 527, 528, 527, 528, 444, 445, 446, 601, 602,
 &end
#
#    0 AMB  25-3:2222    31 GLN  HA          4.50    (#   2222:25  Single Ambig)
 &rst
  ixpk= 2222, nxpk= 25, iat=  -1, 493, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 568, 574, 575,
 &end
#
#   36 ILE  HG1+         31 GLN  HA          5.50    (#   2223:25  Preassigned    4.42, 5.05 A)
 &rst
  ixpk= 2223, nxpk= 25, iat=  -1, 493, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 574, 575,
 &end
#
#    0 AMB  25-3:2224    31 GLN  HA          5.50    (#   2224:25  Single Ambig)
 &rst
  ixpk= 2224, nxpk= 25, iat=  -1, 493, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 570, 571, 572, 485, 486, 487,
 &end
#
#   30 ILE  QG2          31 GLN  HA          4.50    (#   2225:25  Preassigned    4.04, 5.02 A)
 &rst
  ixpk= 2225, nxpk= 25, iat=  -1, 493, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 478, 479, 480,
 &end
#
#   30 ILE  QG2          31 GLN  HB+         7.00    (#   2226:25  Preassigned    5.34, 6.56 A)
 &rst
  ixpk= 2226, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 478, 479, 480,
 igr2= 495, 496,
 &end
#
#   38 PRO  HG-          31 GLN  HB+         5.50    (#   2227:25  Preassigned    5.08, 5.86 A)
 &rst
  ixpk= 2227, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 601, 602,
 igr2= 495, 496,
 &end
#
#   31 GLN  HG-          31 GLN  HB+         3.50    (#   2228:25  Preassigned    2.21, 2.68 A)
 &rst
  ixpk= 2228, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 498, 499,
 igr2= 495, 496,
 &end
#
#   31 GLN  HA           31 GLN  HB+         4.50    (#   2229:25  Preassigned    2.44, 2.74 A)
 &rst
  ixpk= 2229, nxpk= 25, iat= 493,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 495, 496,
 &end
#
#   28 ALA  HA           31 GLN  HB+         4.50    (#   2230:25  Preassigned    2.96, 3.20 A)
 &rst
  ixpk= 2230, nxpk= 25, iat= 442,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 495, 496,
 &end
#
#   32 ASP  HA           31 GLN  HB+         7.00    (#   2231:25  Preassigned    4.36, 5.03 A)
 &rst
  ixpk= 2231, nxpk= 25, iat= 510,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 495, 496,
 &end
#
#   37 PRO  HA           31 GLN  HB+         5.50    (#   2232:25  Preassigned    2.71, 3.35 A)
 &rst
  ixpk= 2232, nxpk= 25, iat= 593,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 495, 496,
 &end
#
#   41 GLN  HE2-         31 GLN  HB+         7.00    (#   2233:25  Preassigned    2.56, 3.70 A)
 &rst
  ixpk= 2233, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 652, 653,
 igr2= 495, 496,
 &end
#
#   31 GLN  HE2-         31 GLN  HB+         7.00    (#   2234:25  Preassigned    3.60, 4.03 A)
 &rst
  ixpk= 2234, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 503, 504,
 igr2= 495, 496,
 &end
#
#   31 GLN  HE2+         31 GLN  HB+         5.50    (#   2235:25  Preassigned    3.60, 4.03 A)
 &rst
  ixpk= 2235, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 503, 504,
 igr2= 495, 496,
 &end
#
#   32 ASP  HN           31 GLN  HB+         4.50    (#   2236:25  Preassigned    2.78, 3.39 A)
 &rst
  ixpk= 2236, nxpk= 25, iat= 508,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 495, 496,
 &end
#
#   31 GLN  HN           31 GLN  HB+         4.50    (#   2237:25  Preassigned    2.48, 2.53 A)
 &rst
  ixpk= 2237, nxpk= 25, iat= 491,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 495, 496,
 &end
#
#   50 LEU  QD-          23 ILE  HG1+        7.00    (#   2238:25  Preassigned    2.60, 5.13 A)
 &rst
  ixpk= 2238, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1= 804, 805, 806, 808, 809, 810,
 igr2= 364, 365,
 &end
#
#   35 GLY  HN            0 AMB  25-1:2239   4.50    (#   2239:25  Single Ambig)
 &rst
  ixpk= 2239, nxpk= 25, iat= 557,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 546, 547, 498, 499,
 &end
#
#   32 ASP  HN           31 GLN  HG-         4.50    (#   2240:25  Preassigned    4.16, 4.67 A)
 &rst
  ixpk= 2240, nxpk= 25, iat= 508,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 498, 499,
 &end
#
#   62 GLN  HN           62 GLN  HG-         3.50    (#   2241:25  Unique         2.36, 3.24 A)
 &rst
  ixpk= 2241, nxpk= 25, iat= 982,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 989, 990,
 &end
#
#    0 AMB  25-3:2242     0 AMB  25-1:2242   5.50    (#   2242:25  Double Ambig)
 &rst
  ixpk= 2242, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 520, 731,
 igr2= 546, 547, 989, 990,
 &end
#
#   31 GLN  HE2-         31 GLN  HG-         4.50    (#   2243:25  Preassigned    2.12, 3.21 A)
 &rst
  ixpk= 2243, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 503, 504,
 igr2= 498, 499,
 &end
#
#   36 ILE  HN           31 GLN  HG-         5.50    (#   2244:25  Preassigned    3.34, 3.74 A)
 &rst
  ixpk= 2244, nxpk= 25, iat= 564,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 498, 499,
 &end
#
#   62 GLN  HA           62 GLN  HG+         4.50    (#   2245:25  Preassigned    2.62, 3.21 A)
 &rst
  ixpk= 2245, nxpk= 25, iat= 984,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 989, 990,
 &end
#
#   32 ASP  HA           31 GLN  HG-         4.50    (#   2246:25  Preassigned    4.12, 4.94 A)
 &rst
  ixpk= 2246, nxpk= 25, iat= 510,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 498, 499,
 &end
#
#   35 GLY  HA-          31 GLN  HG-         4.50    (#   2247:25  Preassigned    2.90, 4.49 A)
 &rst
  ixpk= 2247, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 559, 560,
 igr2= 498, 499,
 &end
#
#   31 GLN  HA           31 GLN  HG-         3.50    (#   2248:25  Preassigned    2.50, 2.87 A)
 &rst
  ixpk= 2248, nxpk= 25, iat= 493,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 498, 499,
 &end
#
#   37 PRO  HD-          31 GLN  HG-         7.00    (#   2249:25  Preassigned    3.51, 4.49 A)
 &rst
  ixpk= 2249, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 584, 585,
 igr2= 498, 499,
 &end
#
#    0 AMB  25-3:2250     0 AMB  25-1:2250   5.50    (#   2250:25  Double Ambig)
 &rst
  ixpk= 2250, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 292, 293, 527, 528, 527, 528,
 igr2= 319, 510,
 &end
#
#    0 AMB  25-3:2251     0 AMB  25-1:2251   5.50    (#   2251:25  Double Ambig)
 &rst
  ixpk= 2251, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 498, 499, 310, 311, 495, 496,
 igr2= 510, 319,
 &end
#
#    0 AMB  25-3:2252     0 AMB  25-1:2252   5.50    (#   2252:25  Double Ambig)
 &rst
  ixpk= 2252, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 495, 496, 332, 333,
 igr2= 510, 319,
 &end
#
#   33 LYS  HN           32 ASP  HA          4.50    (#   2253:25  Preassigned    3.38, 3.39 A)
 &rst
  ixpk= 2253, nxpk= 25, iat= 520, 510, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   34 GLU  HN           33 LYS  HA          4.50    (#   2254:25  Preassigned    3.41, 3.42 A)
 &rst
  ixpk= 2254, nxpk= 25, iat= 542, 522, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   35 GLY  HN           33 LYS  HA          5.50    (#   2255:25  Preassigned    4.81, 4.86 A)
 &rst
  ixpk= 2255, nxpk= 25, iat= 557, 522, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 ASP  HN           33 LYS  HA          5.50    (#   2256:25  Preassigned    5.01, 5.02 A)
 &rst
  ixpk= 2256, nxpk= 25, iat= 508, 522, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   34 GLU  HA           33 LYS  HA          5.50    (#   2257:25  Preassigned    4.52, 4.52 A)
 &rst
  ixpk= 2257, nxpk= 25, iat= 544, 522, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   30 ILE  HA           33 LYS  HA          5.50    (#   2258:25  Preassigned    5.22, 5.26 A)
 &rst
  ixpk= 2258, nxpk= 25, iat= 474, 522, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:2259    33 LYS  HA          4.50    (#   2259:25  Single Ambig)
 &rst
  ixpk= 2259, nxpk= 25, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 533, 534, 533, 534,
 &end
#
#   32 ASP  HB+          33 LYS  HA          5.50    (#   2260:25  Preassigned    4.19, 4.79 A)
 &rst
  ixpk= 2260, nxpk= 25, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 512, 513,
 &end
#
#   32 ASP  HB-          33 LYS  HA          5.50    (#   2261:25  Preassigned    4.19, 4.79 A)
 &rst
  ixpk= 2261, nxpk= 25, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 512, 513,
 &end
#
#   31 GLN  HB+          33 LYS  HA          7.00    (#   2262:25  Preassigned    7.56, 7.95 A)
 &rst
  ixpk= 2262, nxpk= 25, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 495, 496,
 &end
#
#   13 ILE  QG2          33 LYS  HA          5.50    (#   2263:25  Unique         6.06, 7.02 A)
 &rst
  ixpk= 2263, nxpk= 25, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 211, 212, 213,
 &end
#
#    0 AMB  25-3:2264    33 LYS  HA          5.50    (#   2264:25  Single Ambig)
 &rst
  ixpk= 2264, nxpk= 25, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 218, 219, 220, 478, 479, 480,
 &end
#
#   30 ILE  HA           33 LYS  HB-         4.50    (#   2265:25  Preassigned    2.53, 3.45 A)
 &rst
  ixpk= 2265, nxpk= 25, iat= 474,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 524, 525,
 &end
#
#   34 GLU  HN            0 AMB  25-1:2266   5.50    (#   2266:25  Single Ambig)
 &rst
  ixpk= 2266, nxpk= 25, iat= 542,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 527, 528, 527, 528,
 &end
#
#   33 LYS  HN            0 AMB  25-1:2267   3.50    (#   2267:25  Single Ambig)
 &rst
  ixpk= 2267, nxpk= 25, iat= 520,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 527, 528, 527, 528,
 &end
#
#   33 LYS  HA            0 AMB  25-1:2268   3.50    (#   2268:25  Single Ambig)
 &rst
  ixpk= 2268, nxpk= 25, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 527, 528, 527, 528,
 &end
#
#   30 ILE  HA            0 AMB  25-1:2269   4.50    (#   2269:25  Single Ambig)
 &rst
  ixpk= 2269, nxpk= 25, iat= 474,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 527, 528, 527, 528,
 &end
#
#    0 AMB  25-3:2271     0 AMB  25-1:2271   3.50    (#   2271:25  Double Ambig)
 &rst
  ixpk= 2271, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 533, 534, 533, 534, 533, 534,
 igr2= 527, 528, 527, 528, 527, 528,
 &end
#
#    0 AMB  25-3:2272     0 AMB  25-1:2272   5.50    (#   2272:25  Double Ambig)
 &rst
  ixpk= 2272, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 512, 513, 512, 513,
 igr2= 527, 528, 527, 528,
 &end
#
#   32 ASP  HB-           0 AMB  25-1:2273   4.50    (#   2273:25  Single Ambig)
 &rst
  ixpk= 2273, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 512, 513,
 igr2= 527, 528, 527, 528,
 &end
#
#    0 AMB  25-3:2274     0 AMB  25-1:2274   5.50    (#   2274:25  Double Ambig)
 &rst
  ixpk= 2274, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 495, 496, 495, 496,
 igr2= 527, 528, 527, 528,
 &end
#
#   34 GLU  HG-           0 AMB  25-1:2275   4.50    (#   2275:25  Single Ambig)
 &rst
  ixpk= 2275, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 549, 550,
 igr2= 527, 528, 527, 528,
 &end
#
#    0 AMB  25-3:2276     0 AMB  25-1:2276   3.50    (#   2276:25  Double Ambig)
 &rst
  ixpk= 2276, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 524, 525, 524, 525,
 igr2= 527, 528, 527, 528,
 &end
#
#   33 LYS  HB-           0 AMB  25-1:2277   3.50    (#   2277:25  Single Ambig)
 &rst
  ixpk= 2277, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 524, 525,
 igr2= 527, 528, 527, 528,
 &end
#
#    0 AMB  25-3:2278     0 AMB  25-1:2278   2.80    (#   2278:25  Double Ambig)
 &rst
  ixpk= 2278, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 530, 531, 530, 531, 530, 531,
 igr2= 527, 528, 527, 528, 527, 528,
 &end
#
#    0 AMB  25-3:2279     0 AMB  25-1:2279   3.50    (#   2279:25  Double Ambig)
 &rst
  ixpk= 2279, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 218, 219, 220, 247, 248, 249, 251, 252, 253,
 igr2= 527, 528, 527, 528,
 &end
#
#   13 ILE  QD1           0 AMB  25-1:2280   3.50    (#   2280:25  Single Ambig)
 &rst
  ixpk= 2280, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 218, 219, 220,
 igr2= 530, 531, 530, 531,
 &end
#
#   13 ILE  QG2           0 AMB  25-1:2281   4.50    (#   2281:25  Single Ambig)
 &rst
  ixpk= 2281, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 211, 212, 213,
 igr2= 530, 531, 530, 531,
 &end
#
#    0 AMB  25-3:2282     0 AMB  25-1:2282   2.80    (#   2282:25  Double Ambig)
 &rst
  ixpk= 2282, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 527, 528, 527, 528, 527, 528,
 igr2= 530, 531, 530, 531, 530, 531,
 &end
#
#   33 LYS  HB-           0 AMB  25-1:2283   3.50    (#   2283:25  Single Ambig)
 &rst
  ixpk= 2283, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 524, 525,
 igr2= 530, 531, 530, 531,
 &end
#
#    0 AMB  25-3:2284     0 AMB  25-1:2284   3.50    (#   2284:25  Double Ambig)
 &rst
  ixpk= 2284, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 524, 525, 524, 525,
 igr2= 530, 531, 530, 531,
 &end
#
#    0 AMB  25-3:2285     0 AMB  25-1:2285   3.50    (#   2285:25  Double Ambig)
 &rst
  ixpk= 2285, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 533, 534, 533, 534, 533, 534,
 igr2= 530, 531, 530, 531, 530, 531,
 &end
#
#   33 LYS  HA            0 AMB  25-1:2286   3.50    (#   2286:25  Single Ambig)
 &rst
  ixpk= 2286, nxpk= 25, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 530, 531, 530, 531,
 &end
#
#   15 LEU  HA            0 AMB  25-1:2287   5.50    (#   2287:25  Single Ambig)
 &rst
  ixpk= 2287, nxpk= 25, iat= 240,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 530, 531, 530, 531,
 &end
#
#   33 LYS  HN            0 AMB  25-1:2288   4.50    (#   2288:25  Single Ambig)
 &rst
  ixpk= 2288, nxpk= 25, iat= 520,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 530, 531, 530, 531,
 &end
#
#    0 AMB  25-3:2289     0 AMB  25-1:2289   5.50    (#   2289:25  Double Ambig)
 &rst
  ixpk= 2289, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 450, 440,
 igr2= 463, 464, 463, 464,
 &end
#
#   33 LYS  HA            0 AMB  25-1:2290   5.50    (#   2290:25  Single Ambig)
 &rst
  ixpk= 2290, nxpk= 25, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 533, 534, 533, 534,
 &end
#
#   14 THR  HB            0 AMB  25-1:2291   5.50    (#   2291:25  Single Ambig)
 &rst
  ixpk= 2291, nxpk= 25, iat= 228,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 533, 534, 533, 534,
 &end
#
#   30 ILE  HA            0 AMB  25-1:2292   5.50    (#   2292:25  Single Ambig)
 &rst
  ixpk= 2292, nxpk= 25, iat= 474,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 533, 534, 533, 534,
 &end
#
#   26 VAL  HA           29 LYS  HE+         4.50    (#   2293:25  Preassigned    3.93, 4.54 A)
 &rst
  ixpk= 2293, nxpk= 25, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 463, 464,
 &end
#
#    0 AMB  25-3:2294     0 AMB  25-1:2294   5.50    (#   2294:25  Double Ambig)
 &rst
  ixpk= 2294, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 524, 525, 524, 525,
 igr2= 533, 534, 533, 534,
 &end
#
#    7 THR  HN           11 LYS  HB+         5.50    (#   2295:25  Preassigned    3.45, 4.40 A)
 &rst
  ixpk= 2295, nxpk= 25, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 173, 174,
 &end
#
#    0 AMB  25-3:2296     0 AMB  25-1:2296   5.50    (#   2296:25  Double Ambig)
 &rst
  ixpk= 2296, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 657, 162,
 igr2= 647, 648, 173, 174,
 &end
#
#   11 LYS  HN           11 LYS  HB+         3.50    (#   2297:25  Preassigned    2.22, 2.92 A)
 &rst
  ixpk= 2297, nxpk= 25, iat= 169,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 173, 174,
 &end
#
#    7 THR  HA           11 LYS  HB+         5.50    (#   2298:25  Preassigned    5.42, 6.46 A)
 &rst
  ixpk= 2298, nxpk= 25, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 173, 174,
 &end
#
#    7 THR  HB           11 LYS  HB+         4.50    (#   2299:25  Preassigned    4.33, 5.25 A)
 &rst
  ixpk= 2299, nxpk= 25, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 173, 174,
 &end
#
#   11 LYS  HA           11 LYS  HB+         3.50    (#   2300:25  Unique         2.23, 2.54 A)
 &rst
  ixpk= 2300, nxpk= 25, iat= 171,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 173, 174,
 &end
#
#    0 AMB  25-3:2301     0 AMB  25-1:2301   5.50    (#   2301:25  Double Ambig)
 &rst
  ixpk= 2301, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 182, 183, 182, 183, 182, 183,
 igr2= 173, 174, 173, 174, 546, 547,
 &end
#
#    0 AMB  25-3:2302     0 AMB  25-1:2302   3.50    (#   2302:25  Double Ambig)
 &rst
  ixpk= 2302, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 176, 177, 568, 425, 426,
 igr2= 173, 174, 647, 648,
 &end
#
#    0 AMB  25-3:2303     0 AMB  25-1:2303   3.50    (#   2303:25  Double Ambig)
 &rst
  ixpk= 2303, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 176, 177, 154, 155, 156,
 igr2= 173, 174, 173, 174,
 &end
#
#   61 ILE  QG2          62 GLN  HG-         5.50    (#   2304:25  Preassigned    5.14, 6.70 A)
 &rst
  ixpk= 2304, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 969, 970, 971,
 igr2= 989, 990,
 &end
#
#    0 AMB  25-3:2305     0 AMB  25-1:2305   5.50    (#   2305:25  Double Ambig)
 &rst
  ixpk= 2305, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 570, 571, 572, 485, 486, 487,
 igr2= 546, 547, 546, 547,
 &end
#
#   36 ILE  HG1+         34 GLU  HB+         4.50    (#   2306:25  Preassigned    2.93, 4.07 A)
 &rst
  ixpk= 2306, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 574, 575,
 igr2= 546, 547,
 &end
#
#   34 GLU  HG+          34 GLU  HB+         3.50    (#   2307:25  Preassigned    2.21, 2.54 A)
 &rst
  ixpk= 2307, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 549, 550,
 igr2= 546, 547,
 &end
#
#   36 ILE  HN           34 GLU  HB+         4.50    (#   2308:25  Preassigned    2.67, 3.14 A)
 &rst
  ixpk= 2308, nxpk= 25, iat= 564,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 546, 547,
 &end
#
#   34 GLU  HN           34 GLU  HG-         4.50    (#   2309:25  Preassigned    3.06, 3.75 A)
 &rst
  ixpk= 2309, nxpk= 25, iat= 542,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 549, 550,
 &end
#
#   35 GLY  HN           34 GLU  HG-         5.50    (#   2310:25  Preassigned    4.37, 4.81 A)
 &rst
  ixpk= 2310, nxpk= 25, iat= 557,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 549, 550,
 &end
#
#   33 LYS  HN           34 GLU  HG-         5.50    (#   2311:25  Preassigned    4.11, 5.02 A)
 &rst
  ixpk= 2311, nxpk= 25, iat= 520,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 549, 550,
 &end
#
#   36 ILE  HN           34 GLU  HG-         5.50    (#   2312:25  Preassigned    4.89, 5.05 A)
 &rst
  ixpk= 2312, nxpk= 25, iat= 564,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 549, 550,
 &end
#
#   34 GLU  HA           34 GLU  HG-         4.50    (#   2313:25  Preassigned    3.24, 3.46 A)
 &rst
  ixpk= 2313, nxpk= 25, iat= 544,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 549, 550,
 &end
#
#   30 ILE  HA           34 GLU  HG-         5.50    (#   2314:25  Preassigned    3.01, 3.87 A)
 &rst
  ixpk= 2314, nxpk= 25, iat= 474,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 549, 550,
 &end
#
#   33 LYS  HB-          34 GLU  HG-         4.50    (#   2315:25  Unique         3.03, 4.48 A)
 &rst
  ixpk= 2315, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 524, 525,
 igr2= 549, 550,
 &end
#
#    0 AMB  25-3:2316    34 GLU  HG-         4.50    (#   2316:25  Single Ambig)
 &rst
  ixpk= 2316, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 574, 575, 176, 177, 568,
 igr2= 549, 550,
 &end
#
#    7 THR  QG2          34 GLU  HG-         5.50    (#   2317:25  Unique         2.55, 3.76 A)
 &rst
  ixpk= 2317, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 121, 122, 123,
 igr2= 549, 550,
 &end
#
#    0 AMB  25-3:2318    34 GLU  HG-         4.50    (#   2318:25  Single Ambig)
 &rst
  ixpk= 2318, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1101,1102, 215, 216, 574, 575,
 igr2= 549, 550,
 &end
#
#   13 ILE  QG2          34 GLU  HG-         4.50    (#   2319:25  Preassigned    2.80, 4.04 A)
 &rst
  ixpk= 2319, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 211, 212, 213,
 igr2= 549, 550,
 &end
#
#    0 AMB  25-3:2320    35 GLY  HA-         5.50    (#   2320:25  Single Ambig)
 &rst
  ixpk= 2320, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 574, 575, 568,
 igr2= 559, 560,
 &end
#
#    0 AMB  25-3:2321     0 AMB  25-1:2321   4.50    (#   2321:25  Double Ambig)
 &rst
  ixpk= 2321, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 760, 761, 760, 761, 495, 496,
 igr2= 751, 752, 559, 560,
 &end
#
#   34 GLU  HG+          35 GLY  HA-         5.50    (#   2322:25  Unique         6.69, 6.95 A)
 &rst
  ixpk= 2322, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 549, 550,
 igr2= 559, 560,
 &end
#
#   31 GLN  HG-          35 GLY  HA-         5.50    (#   2323:25  Preassigned    2.90, 4.49 A)
 &rst
  ixpk= 2323, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 498, 499,
 igr2= 559, 560,
 &end
#
#    0 AMB  25-3:2325    47 GLY  HA-         5.50    (#   2325:25  Single Ambig)
 &rst
  ixpk= 2325, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 758, 780,
 igr2= 751, 752,
 &end
#
#   36 ILE  HN           35 GLY  HA-         4.50    (#   2326:25  Preassigned    3.15, 3.27 A)
 &rst
  ixpk= 2326, nxpk= 25, iat= 564,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 559, 560,
 &end
#
#   34 GLU  HN           35 GLY  HA-         4.50    (#   2327:25  Preassigned    4.13, 4.36 A)
 &rst
  ixpk= 2327, nxpk= 25, iat= 542,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 559, 560,
 &end
#
#   34 GLU  HN           35 GLY  HA+         4.50    (#   2328:25  Preassigned    4.13, 4.36 A)
 &rst
  ixpk= 2328, nxpk= 25, iat= 542,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 559, 560,
 &end
#
#   36 ILE  HN           35 GLY  HA+         4.50    (#   2329:25  Preassigned    3.15, 3.27 A)
 &rst
  ixpk= 2329, nxpk= 25, iat= 564,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 559, 560,
 &end
#
#    0 AMB  25-3:2330     0 AMB  25-1:2330   5.50    (#   2330:25  Double Ambig)
 &rst
  ixpk= 2330, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 544, 593,
 igr2= 559, 560, 559, 560,
 &end
#
#   36 ILE  HA           35 GLY  HA+         5.50    (#   2331:25  Preassigned    4.48, 4.51 A)
 &rst
  ixpk= 2331, nxpk= 25, iat= 566,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 559, 560,
 &end
#
#   31 GLN  HG-          35 GLY  HA+         5.50    (#   2332:25  Preassigned    2.90, 4.49 A)
 &rst
  ixpk= 2332, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 498, 499,
 igr2= 559, 560,
 &end
#
#   31 GLN  HB-          35 GLY  HA+         4.50    (#   2333:25  Preassigned    5.25, 6.10 A)
 &rst
  ixpk= 2333, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 495, 496,
 igr2= 559, 560,
 &end
#
#   34 GLU  HB-          35 GLY  HA+         5.50    (#   2334:25  Preassigned    4.73, 5.03 A)
 &rst
  ixpk= 2334, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 546, 547,
 igr2= 559, 560,
 &end
#
#    0 AMB  25-3:2335     0 AMB  25-1:2335   5.50    (#   2335:25  Double Ambig)
 &rst
  ixpk= 2335, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 574, 575, 568,
 igr2= 559, 560, 559, 560,
 &end
#
#   30 ILE  QG2          35 GLY  HA+         5.50    (#   2336:25  Preassigned    6.89, 7.97 A)
 &rst
  ixpk= 2336, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 478, 479, 480,
 igr2= 559, 560,
 &end
#
#   36 ILE  QD1          35 GLY  HA+         5.50    (#   2337:25  Preassigned    6.01, 6.86 A)
 &rst
  ixpk= 2337, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 577, 578, 579,
 igr2= 559, 560,
 &end
#
#   30 ILE  QG2          36 ILE  HB          3.50    (#   2338:25  Preassigned    3.77, 4.85 A)
 &rst
  ixpk= 2338, nxpk= 25, iat=  -1, 568, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 478, 479, 480,
 &end
#
#   36 ILE  QD1          36 ILE  HB          3.50    (#   2339:25  Preassigned    2.61, 3.08 A)
 &rst
  ixpk= 2339, nxpk= 25, iat=  -1, 568, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 577, 578, 579,
 &end
#
#   36 ILE  QG2          36 ILE  HB          3.50    (#   2340:25  Preassigned    2.29, 2.63 A)
 &rst
  ixpk= 2340, nxpk= 25, iat=  -1, 568, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 570, 571, 572,
 &end
#
#   36 ILE  HG1+         36 ILE  HB          4.50    (#   2341:25  Preassigned    2.49, 2.77 A)
 &rst
  ixpk= 2341, nxpk= 25, iat=  -1, 568, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 574, 575,
 &end
#
#   34 GLU  HB-          36 ILE  HB          4.50    (#   2342:25  Unique         3.47, 3.80 A)
 &rst
  ixpk= 2342, nxpk= 25, iat=  -1, 568, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 546, 547,
 &end
#
#   31 GLN  HB-          36 ILE  HB          4.50    (#   2343:25  Unique         4.58, 5.37 A)
 &rst
  ixpk= 2343, nxpk= 25, iat=  -1, 568, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 495, 496,
 &end
#
#   34 GLU  HB+          36 ILE  HB          5.50    (#   2344:25  Unique         3.47, 3.80 A)
 &rst
  ixpk= 2344, nxpk= 25, iat=  -1, 568, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 546, 547,
 &end
#
#    0 AMB  25-3:2345    36 ILE  HB          5.50    (#   2345:25  Single Ambig)
 &rst
  ixpk= 2345, nxpk= 25, iat=  -1, 568, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 476, 630, 631, 630, 631,
 &end
#
#   37 PRO  HD-          36 ILE  HB          5.50    (#   2346:25  Preassigned    4.03, 4.50 A)
 &rst
  ixpk= 2346, nxpk= 25, iat=  -1, 568, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 584, 585,
 &end
#
#   31 GLN  HA           36 ILE  HB          4.50    (#   2347:25  Preassigned    3.54, 3.58 A)
 &rst
  ixpk= 2347, nxpk= 25, iat= 493, 568, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   37 PRO  HD+          36 ILE  HB          5.50    (#   2348:25  Preassigned    4.03, 4.50 A)
 &rst
  ixpk= 2348, nxpk= 25, iat=  -1, 568, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 584, 585,
 &end
#
#   36 ILE  HA           36 ILE  HB          4.50    (#   2349:25  Preassigned    3.02, 3.02 A)
 &rst
  ixpk= 2349, nxpk= 25, iat= 566, 568, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   41 GLN  HE2+         36 ILE  HB          4.50    (#   2350:25  Preassigned    3.23, 3.98 A)
 &rst
  ixpk= 2350, nxpk= 25, iat=  -1, 568, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 652, 653,
 &end
#
#   36 ILE  HN           36 ILE  HB          3.50    (#   2351:25  Preassigned    2.59, 2.61 A)
 &rst
  ixpk= 2351, nxpk= 25, iat= 564, 568, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   41 GLN  HE2-         36 ILE  HB          5.50    (#   2352:25  Preassigned    3.23, 3.98 A)
 &rst
  ixpk= 2352, nxpk= 25, iat=  -1, 568, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 652, 653,
 &end
#
#    0 AMB  25-3:2353    36 ILE  HB          5.50    (#   2353:25  Single Ambig)
 &rst
  ixpk= 2353, nxpk= 25, iat=  -1, 568, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 557, 491,1151,
 &end
#
#   34 GLU  HN           36 ILE  HB          7.00    (#   2354:25  Preassigned    5.53, 5.55 A)
 &rst
  ixpk= 2354, nxpk= 25, iat= 542, 568, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   34 GLU  HN           32 ASP  HA          5.50    (#   2355:25  Unique         4.21, 4.24 A)
 &rst
  ixpk= 2355, nxpk= 25, iat= 542, 510, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:2356    36 ILE  QG2         5.50    (#   2356:25  Single Ambig)
 &rst
  ixpk= 2356, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 598, 599, 598, 599,
 igr2= 570, 571, 572,
 &end
#
#   31 GLN  HA           36 ILE  QG2         5.50    (#   2357:25  Preassigned    5.04, 5.58 A)
 &rst
  ixpk= 2357, nxpk= 25, iat= 493,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 570, 571, 572,
 &end
#
#   37 PRO  HA           36 ILE  QG2         5.50    (#   2358:25  Preassigned    4.26, 5.30 A)
 &rst
  ixpk= 2358, nxpk= 25, iat= 593,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 570, 571, 572,
 &end
#
#   40 GLN  HE2-         36 ILE  QG2         7.00    (#   2360:25  Preassigned    5.53, 6.98 A)
 &rst
  ixpk= 2360, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 635, 636,
 igr2= 570, 571, 572,
 &end
#
#   42 ARG  HN           36 ILE  QG2         5.50    (#   2362:25  Preassigned    4.75, 5.66 A)
 &rst
  ixpk= 2362, nxpk= 25, iat= 657,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 570, 571, 572,
 &end
#
#    0 AMB  25-3:2363    36 ILE  QG2         5.50    (#   2363:25  Single Ambig)
 &rst
  ixpk= 2363, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1151, 611,1175, 557,
 igr2= 570, 571, 572,
 &end
#
#   42 ARG  HN           36 ILE  QD1         5.50    (#   2364:25  Preassigned    5.91, 6.92 A)
 &rst
  ixpk= 2364, nxpk= 25, iat= 657,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 577, 578, 579,
 &end
#
#   41 GLN  HN           36 ILE  QD1         7.00    (#   2366:25  Preassigned    6.77, 7.72 A)
 &rst
  ixpk= 2366, nxpk= 25, iat= 640,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 577, 578, 579,
 &end
#
#   41 GLN  HE2-         36 ILE  QD1         5.50    (#   2368:25  Preassigned    5.48, 6.67 A)
 &rst
  ixpk= 2368, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 652, 653,
 igr2= 577, 578, 579,
 &end
#
#    0 AMB  25-3:2369    36 ILE  QD1         7.00    (#   2369:25  Single Ambig)
 &rst
  ixpk= 2369, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1099, 117,
 igr2= 577, 578, 579,
 &end
#
#   71 LEU  HA           36 ILE  QD1         5.50    (#   2370:25  Unique         4.20, 5.31 A)
 &rst
  ixpk= 2370, nxpk= 25, iat=1134,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 577, 578, 579,
 &end
#
#   37 PRO  HD+          36 ILE  QD1         5.50    (#   2371:25  Preassigned    5.00, 6.18 A)
 &rst
  ixpk= 2371, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 584, 585,
 igr2= 577, 578, 579,
 &end
#
#    0 AMB  25-3:2372    36 ILE  QD1         5.50    (#   2372:25  Single Ambig)
 &rst
  ixpk= 2372, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 642, 559, 560,
 igr2= 577, 578, 579,
 &end
#
#   31 GLN  HA           36 ILE  QD1         5.50    (#   2373:25  Preassigned    5.48, 6.17 A)
 &rst
  ixpk= 2373, nxpk= 25, iat= 493,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 577, 578, 579,
 &end
#
#   36 ILE  QD1          37 PRO  HD+         5.50    (#   2375:25  Preassigned    5.00, 6.18 A)
 &rst
  ixpk= 2375, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 577, 578, 579,
 igr2= 584, 585,
 &end
#
#   36 ILE  HG1+         37 PRO  HD+         5.50    (#   2376:25  Preassigned    3.71, 4.58 A)
 &rst
  ixpk= 2376, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 574, 575,
 igr2= 584, 585,
 &end
#
#    0 AMB  25-3:2377     0 AMB  25-1:2377   4.50    (#   2377:25  Double Ambig)
 &rst
  ixpk= 2377, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 574, 575, 568,
 igr2= 584, 585, 584, 585,
 &end
#
#   31 GLN  HG-          37 PRO  HD+         5.50    (#   2378:25  Preassigned    3.51, 4.49 A)
 &rst
  ixpk= 2378, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 498, 499,
 igr2= 584, 585,
 &end
#
#    0 AMB  25-3:2379     0 AMB  25-1:2379   4.50    (#   2379:25  Double Ambig)
 &rst
  ixpk= 2379, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 590, 591, 630, 631, 630, 631,
 igr2= 584, 585, 584, 585, 584, 585,
 &end
#
#   35 GLY  HA+          37 PRO  HD+         5.50    (#   2380:25  Preassigned    5.42, 6.04 A)
 &rst
  ixpk= 2380, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 559, 560,
 igr2= 584, 585,
 &end
#
#   37 PRO  HA           37 PRO  HD+         5.50    (#   2381:25  Preassigned    3.60, 3.85 A)
 &rst
  ixpk= 2381, nxpk= 25, iat= 593,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 584, 585,
 &end
#
#   36 ILE  HN           37 PRO  HD+         5.50    (#   2382:25  Preassigned    4.74, 4.80 A)
 &rst
  ixpk= 2382, nxpk= 25, iat= 564,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 584, 585,
 &end
#
#   40 GLN  HE2-         37 PRO  HD+         5.50    (#   2383:25  Preassigned    4.82, 7.10 A)
 &rst
  ixpk= 2383, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 635, 636,
 igr2= 584, 585,
 &end
#
#   40 GLN  HE2+         37 PRO  HD+         5.50    (#   2384:25  Preassigned    4.82, 7.10 A)
 &rst
  ixpk= 2384, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 635, 636,
 igr2= 584, 585,
 &end
#
#   31 GLN  HE2+         37 PRO  HD+         5.50    (#   2385:25  Preassigned    4.49, 5.91 A)
 &rst
  ixpk= 2385, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 503, 504,
 igr2= 584, 585,
 &end
#
#    0 AMB  25-3:2386    37 PRO  HD-         5.50    (#   2386:25  Single Ambig)
 &rst
  ixpk= 2386, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 611, 557,1151, 491,
 igr2= 584, 585,
 &end
#
#   40 GLN  HN           37 PRO  HD-         5.50    (#   2387:25  Preassigned    4.65, 5.19 A)
 &rst
  ixpk= 2387, nxpk= 25, iat= 623,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 584, 585,
 &end
#
#   31 GLN  HE2+         37 PRO  HD-         5.50    (#   2388:25  Preassigned    4.49, 5.91 A)
 &rst
  ixpk= 2388, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 503, 504,
 igr2= 584, 585,
 &end
#
#   40 GLN  HE2-         37 PRO  HD-         5.50    (#   2389:25  Preassigned    4.82, 7.10 A)
 &rst
  ixpk= 2389, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 635, 636,
 igr2= 584, 585,
 &end
#
#   36 ILE  HN           37 PRO  HD-         5.50    (#   2390:25  Preassigned    4.74, 4.80 A)
 &rst
  ixpk= 2390, nxpk= 25, iat= 564,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 584, 585,
 &end
#
#   37 PRO  HA           37 PRO  HD-         4.50    (#   2391:25  Preassigned    3.60, 3.85 A)
 &rst
  ixpk= 2391, nxpk= 25, iat= 593,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 584, 585,
 &end
#
#    0 AMB  25-3:2392    37 PRO  HD-         4.50    (#   2392:25  Single Ambig)
 &rst
  ixpk= 2392, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 598, 599, 598, 599,
 igr2= 584, 585,
 &end
#
#    0 AMB  25-3:2394    37 PRO  HD-         4.50    (#   2394:25  Single Ambig)
 &rst
  ixpk= 2394, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 574, 575, 568,
 igr2= 584, 585,
 &end
#
#   36 ILE  HG1+         37 PRO  HD-         5.50    (#   2395:25  Preassigned    3.71, 4.58 A)
 &rst
  ixpk= 2395, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 574, 575,
 igr2= 584, 585,
 &end
#
#   36 ILE  QD1          37 PRO  HD-         5.50    (#   2396:25  Preassigned    5.00, 6.18 A)
 &rst
  ixpk= 2396, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 577, 578, 579,
 igr2= 584, 585,
 &end
#
#    0 AMB  25-3:2397    38 PRO  HA          5.50    (#   2397:25  Single Ambig)
 &rst
  ixpk= 2397, nxpk= 25, iat=  -1, 607, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
 igr1= 690, 691, 692, 694, 695, 696, 690, 691, 692, 694,
       695, 696, 360, 361, 362,
 &end
#
#   36 ILE  QG2          38 PRO  HA          4.50    (#   2398:25  Preassigned    4.94, 5.88 A)
 &rst
  ixpk= 2398, nxpk= 25, iat=  -1, 607, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 570, 571, 572,
 &end
#
#   27 LYS  HB+          38 PRO  HA          3.50    (#   2399:25  Preassigned    2.52, 3.20 A)
 &rst
  ixpk= 2399, nxpk= 25, iat=  -1, 607, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 422, 423,
 &end
#
#    0 AMB  25-3:2400    38 PRO  HA          4.50    (#   2400:25  Single Ambig)
 &rst
  ixpk= 2400, nxpk= 25, iat=  -1, 607, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 590, 591, 476, 630, 631,
 &end
#
#   41 GLN  HG+          38 PRO  HA          4.50    (#   2401:25  Preassigned    3.98, 4.66 A)
 &rst
  ixpk= 2401, nxpk= 25, iat=  -1, 607, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 647, 648,
 &end
#
#    0 AMB  25-3:2402    38 PRO  HA          5.50    (#   2402:25  Single Ambig)
 &rst
  ixpk= 2402, nxpk= 25, iat=  -1, 607, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 431, 432, 615, 616,
 &end
#
#    0 AMB  25-3:2403    38 PRO  HA          4.50    (#   2403:25  Single Ambig)
 &rst
  ixpk= 2403, nxpk= 25, iat=  -1, 607, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 598, 599, 598, 599,
 &end
#
#   39 ASP  HA           38 PRO  HA          4.50    (#   2404:25  Unique         4.80, 4.81 A)
 &rst
  ixpk= 2404, nxpk= 25, iat= 613, 607, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:2405    38 PRO  HA          4.50    (#   2405:25  Single Ambig)
 &rst
  ixpk= 2405, nxpk= 25, iat=  -1, 607, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 593, 420,
 &end
#
#   41 GLN  HE2+         38 PRO  HA          4.50    (#   2406:25  Preassigned    2.67, 3.51 A)
 &rst
  ixpk= 2406, nxpk= 25, iat=  -1, 607, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 652, 653,
 &end
#
#   41 GLN  HE2-         38 PRO  HA          4.50    (#   2407:25  Preassigned    2.67, 3.51 A)
 &rst
  ixpk= 2407, nxpk= 25, iat=  -1, 607, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 652, 653,
 &end
#
#   41 GLN  HN           38 PRO  HA          4.50    (#   2408:25  Preassigned    3.02, 3.06 A)
 &rst
  ixpk= 2408, nxpk= 25, iat= 640, 607, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   40 GLN  HN           38 PRO  HA          5.50    (#   2409:25  Preassigned    3.73, 3.76 A)
 &rst
  ixpk= 2409, nxpk= 25, iat= 623, 607, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   39 ASP  HN           38 PRO  HA          4.50    (#   2410:25  Preassigned    3.53, 3.54 A)
 &rst
  ixpk= 2410, nxpk= 25, iat= 611, 607, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:2411     0 AMB  25-1:2411   5.50    (#   2411:25  Double Ambig)
 &rst
  ixpk= 2411, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 440, 916,
 igr2= 604, 605, 852, 853,
 &end
#
#   59 TYR  HD1          54 ARG  HB-         5.50    (#   2412:25  Preassigned    3.67, 3.98 A)
 &rst
  ixpk= 2412, nxpk= 25, iat= 936,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 852, 853,
 &end
#
#   22 THR  HB           54 ARG  HB-         5.50    (#   2413:25  Preassigned    6.05, 6.34 A)
 &rst
  ixpk= 2413, nxpk= 25, iat= 344,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 852, 853,
 &end
#
#   54 ARG  HA           54 ARG  HB-         3.50    (#   2414:25  Preassigned    2.53, 2.78 A)
 &rst
  ixpk= 2414, nxpk= 25, iat= 850,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 852, 853,
 &end
#
#   51 GLU  HA           54 ARG  HB-         5.50    (#   2415:25  Preassigned    4.84, 5.77 A)
 &rst
  ixpk= 2415, nxpk= 25, iat= 816,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 852, 853,
 &end
#
#   64 GLU  HA           63 LYS  HB-         5.50    (#   2416:25  Unique         4.85, 5.05 A)
 &rst
  ixpk= 2416, nxpk= 25, iat=1023,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1003,1004,
 &end
#
#   23 ILE  QD1          54 ARG  HB-         5.50    (#   2417:25  Preassigned    3.99, 4.67 A)
 &rst
  ixpk= 2417, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 367, 368, 369,
 igr2= 852, 853,
 &end
#
#   54 ARG  HG+          54 ARG  HB+         4.50    (#   2418:25  Preassigned    2.21, 2.65 A)
 &rst
  ixpk= 2418, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 855, 856,
 igr2= 852, 853,
 &end
#
#   54 ARG  HD-          54 ARG  HB+         4.50    (#   2419:25  Preassigned    2.00, 3.07 A)
 &rst
  ixpk= 2419, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 858, 859,
 igr2= 852, 853,
 &end
#
#   54 ARG  HA           54 ARG  HB+         4.50    (#   2420:25  Preassigned    2.53, 2.78 A)
 &rst
  ixpk= 2420, nxpk= 25, iat= 850,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 852, 853,
 &end
#
#   59 TYR  HE1          54 ARG  HB+         4.50    (#   2421:25  Preassigned    1.90, 2.12 A)
 &rst
  ixpk= 2421, nxpk= 25, iat= 938,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 852, 853,
 &end
#
#   59 TYR  HD1          54 ARG  HB+         5.50    (#   2422:25  Preassigned    3.67, 3.98 A)
 &rst
  ixpk= 2422, nxpk= 25, iat= 936,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 852, 853,
 &end
#
#   54 ARG  HN           54 ARG  HB+         4.50    (#   2423:25  Preassigned    2.34, 2.99 A)
 &rst
  ixpk= 2423, nxpk= 25, iat= 848,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 852, 853,
 &end
#
#   55 THR  HN           54 ARG  HB+         4.50    (#   2424:25  Preassigned    2.05, 2.76 A)
 &rst
  ixpk= 2424, nxpk= 25, iat= 872,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 852, 853,
 &end
#
#   28 ALA  HN           38 PRO  HG+         5.50    (#   2425:25  Preassigned    4.66, 5.48 A)
 &rst
  ixpk= 2425, nxpk= 25, iat= 440,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 601, 602,
 &end
#
#   31 GLN  HE2-         38 PRO  HG+         5.50    (#   2426:25  Preassigned    4.93, 5.60 A)
 &rst
  ixpk= 2426, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 503, 504,
 igr2= 601, 602,
 &end
#
#   41 GLN  HE2-         38 PRO  HG+         7.00    (#   2427:25  Preassigned    5.46, 6.17 A)
 &rst
  ixpk= 2427, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 652, 653,
 igr2= 601, 602,
 &end
#
#    0 AMB  25-3:2428     0 AMB  25-1:2428   3.50    (#   2428:25  Double Ambig)
 &rst
  ixpk= 2428, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr1= 442, 313, 607, 321, 322,
 igr2= 601, 602, 307, 308, 601, 602, 307, 308,
 &end
#
#   55 THR  HN           54 ARG  HG-         5.50    (#   2429:25  Preassigned    4.13, 4.48 A)
 &rst
  ixpk= 2429, nxpk= 25, iat= 872,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 855, 856,
 &end
#
#   52 ASP  HN           54 ARG  HG-         7.00    (#   2431:25  Unique         5.96, 6.53 A)
 &rst
  ixpk= 2431, nxpk= 25, iat= 829,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 855, 856,
 &end
#
#    0 AMB  25-3:2432    54 ARG  HG-         5.50    (#   2432:25  Single Ambig)
 &rst
  ixpk= 2432, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 938, 943,
 igr2= 855, 856,
 &end
#
#   41 GLN  HE2-         38 PRO  HG-         5.50    (#   2433:25  Preassigned    5.46, 6.17 A)
 &rst
  ixpk= 2433, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 652, 653,
 igr2= 601, 602,
 &end
#
#   37 PRO  HA           38 PRO  HG-         4.50    (#   2434:25  Unique         4.44, 4.48 A)
 &rst
  ixpk= 2434, nxpk= 25, iat= 593,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 601, 602,
 &end
#
#    0 AMB  25-3:2436    38 PRO  HG-         3.50    (#   2436:25  Single Ambig)
 &rst
  ixpk= 2436, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 442, 607,
 igr2= 601, 602,
 &end
#
#    0 AMB  25-3:2437    38 PRO  HG-         3.50    (#   2437:25  Single Ambig)
 &rst
  ixpk= 2437, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 598, 599, 598, 599,
 igr2= 601, 602,
 &end
#
#    0 AMB  25-3:2438     0 AMB  25-1:2438   3.50    (#   2438:25  Double Ambig)
 &rst
  ixpk= 2438, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 852, 853, 604, 605,
 igr2= 855, 856, 601, 602,
 &end
#
#   39 ASP  HN            0 AMB  25-1:2439   4.50    (#   2439:25  Single Ambig)
 &rst
  ixpk= 2439, nxpk= 25, iat= 611,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 598, 599, 598, 599,
 &end
#
#   32 ASP  HN            0 AMB  25-1:2440   7.00    (#   2440:25  Single Ambig)
 &rst
  ixpk= 2440, nxpk= 25, iat= 508,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr2= 598, 599, 598, 599,
 &end
#
#   40 GLN  HN            0 AMB  25-1:2441   5.50    (#   2441:25  Single Ambig)
 &rst
  ixpk= 2441, nxpk= 25, iat= 623,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 598, 599, 598, 599,
 &end
#
#    0 AMB  25-3:2442     0 AMB  25-1:2442   4.50    (#   2442:25  Double Ambig)
 &rst
  ixpk= 2442, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 503, 504, 503, 504,
 igr2= 598, 599, 598, 599,
 &end
#
#   31 GLN  HE2-          0 AMB  25-1:2443   4.50    (#   2443:25  Single Ambig)
 &rst
  ixpk= 2443, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 503, 504,
 igr2= 598, 599, 598, 599,
 &end
#
#   41 GLN  HE2-          0 AMB  25-1:2444   5.50    (#   2444:25  Single Ambig)
 &rst
  ixpk= 2444, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 652, 653,
 igr2= 598, 599, 598, 599,
 &end
#
#    0 AMB  25-3:2445     0 AMB  25-1:2445   5.50    (#   2445:25  Double Ambig)
 &rst
  ixpk= 2445, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 652, 653, 652, 653,
 igr2= 598, 599, 598, 599,
 &end
#
#    0 AMB  25-3:2446     0 AMB  25-1:2446   5.50    (#   2446:25  Double Ambig)
 &rst
  ixpk= 2446, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 613, 566, 625,
 igr2= 598, 599, 598, 599, 598, 599,
 &end
#
#    0 AMB  25-3:2447     0 AMB  25-1:2447   4.50    (#   2447:25  Double Ambig)
 &rst
  ixpk= 2447, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 442, 607,
 igr2= 598, 599, 598, 599, 598, 599,
 &end
#
#   36 ILE  QG2           0 AMB  25-1:2448   5.50    (#   2448:25  Single Ambig)
 &rst
  ixpk= 2448, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 570, 571, 572,
 igr2= 598, 599, 598, 599,
 &end
#
#   73 LEU  QD+          40 GLN  HA          7.00    (#   2449:25  Preassigned    5.61, 7.24 A)
 &rst
  ixpk= 2449, nxpk= 25, iat=  -1, 625, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1184,1185,1186,1188,1189,1190,
 &end
#
#    0 AMB  25-3:2450    40 GLN  HA          5.50    (#   2450:25  Single Ambig)
 &rst
  ixpk= 2450, nxpk= 25, iat=  -1, 625, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1141,1142,1143,1145,1146,1147, 570, 571, 572,
 &end
#
#    0 AMB  25-3:2451     0 AMB  25-1:2451   4.50    (#   2451:25  Double Ambig)
 &rst
  ixpk= 2451, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1161,1162,1161,1162,1161,1162,1204,1205,
 igr2= 613, 625,
 &end
#
#   41 GLN  HN            0 AMB  25-1:2452   4.50    (#   2452:25  Single Ambig)
 &rst
  ixpk= 2452, nxpk= 25, iat= 640,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 625, 613,
 &end
#
#   40 GLN  HN           39 ASP  HB+         4.50    (#   2454:25  Preassigned    3.09, 3.68 A)
 &rst
  ixpk= 2454, nxpk= 25, iat= 623,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 615, 616,
 &end
#
#   38 PRO  HA           39 ASP  HB+         7.00    (#   2455:25  Preassigned    5.59, 6.18 A)
 &rst
  ixpk= 2455, nxpk= 25, iat= 607,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 615, 616,
 &end
#
#    0 AMB  25-3:2456     0 AMB  25-1:2456   7.00    (#   2456:25  Double Ambig)
 &rst
  ixpk= 2456, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=14.00, r4=14.50,
 igr1=1227,1228, 598, 599, 598, 599,1220,1221,
 igr2= 615, 616, 615, 616, 615, 616, 615, 616,
 &end
#
#    0 AMB  25-3:2457     0 AMB  25-1:2457   4.50    (#   2457:25  Double Ambig)
 &rst
  ixpk= 2457, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 590, 591, 627, 628,
 igr2= 615, 616, 615, 616,
 &end
#
#    0 AMB  25-3:2458     0 AMB  25-1:2458   5.50    (#   2458:25  Double Ambig)
 &rst
  ixpk= 2458, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 587, 588, 604, 605,
 igr2= 615, 616, 615, 616,
 &end
#
#   38 PRO  HG-          39 ASP  HB-         7.00    (#   2459:25  Preassigned    3.41, 5.49 A)
 &rst
  ixpk= 2459, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 601, 602,
 igr2= 615, 616,
 &end
#
#    0 AMB  25-3:2460    39 ASP  HB-         4.50    (#   2460:25  Single Ambig)
 &rst
  ixpk= 2460, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 587, 588, 604, 605,
 igr2= 615, 616,
 &end
#
#   38 PRO  HG+          39 ASP  HB-         5.50    (#   2461:25  Preassigned    3.41, 5.49 A)
 &rst
  ixpk= 2461, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 601, 602,
 igr2= 615, 616,
 &end
#
#   38 PRO  HG+          39 ASP  HB+         5.50    (#   2462:25  Preassigned    3.41, 5.49 A)
 &rst
  ixpk= 2462, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 601, 602,
 igr2= 615, 616,
 &end
#
#    0 AMB  25-3:2463    39 ASP  HB-         4.50    (#   2463:25  Single Ambig)
 &rst
  ixpk= 2463, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 590, 591, 627, 628,
 igr2= 615, 616,
 &end
#
#   40 GLN  HN           39 ASP  HB-         4.50    (#   2464:25  Preassigned    3.09, 3.68 A)
 &rst
  ixpk= 2464, nxpk= 25, iat= 623,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 615, 616,
 &end
#
#    0 AMB  25-3:2465    39 ASP  HA          5.50    (#   2465:25  Single Ambig)
 &rst
  ixpk= 2465, nxpk= 25, iat=  -1, 613, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1227,1228,1220,1221,
 &end
#
#    0 AMB  25-3:2466    39 ASP  HA          4.50    (#   2466:25  Single Ambig)
 &rst
  ixpk= 2466, nxpk= 25, iat=  -1, 613, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 604, 605, 587, 588,
 &end
#
#    0 AMB  25-3:2467     0 AMB  25-1:2467   4.50    (#   2467:25  Double Ambig)
 &rst
  ixpk= 2467, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 570, 571, 572,1141,1142,1143,1145,1146,1147,
 igr2= 627, 628, 627, 628,
 &end
#
#    0 AMB  25-3:2468     0 AMB  25-1:2468   4.50    (#   2468:25  Double Ambig)
 &rst
  ixpk= 2468, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1198,1199,1201,1202,1201,1202,
 igr2= 627, 628, 627, 628, 627, 628,
 &end
#
#   37 PRO  HD-          40 GLN  HB+         5.50    (#   2469:25  Preassigned    3.25, 4.88 A)
 &rst
  ixpk= 2469, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 584, 585,
 igr2= 627, 628,
 &end
#
#   40 GLN  HA           40 GLN  HB+         3.50    (#   2470:25  Preassigned    2.35, 2.70 A)
 &rst
  ixpk= 2470, nxpk= 25, iat= 625,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 627, 628,
 &end
#
#   41 GLN  HN           40 GLN  HB+         5.50    (#   2471:25  Preassigned    3.90, 4.24 A)
 &rst
  ixpk= 2471, nxpk= 25, iat= 640,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 627, 628,
 &end
#
#    0 AMB  25-3:2472     0 AMB  25-1:2472   4.50    (#   2472:25  Double Ambig)
 &rst
  ixpk= 2472, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 635, 636, 623,
 igr2= 627, 628, 627, 628,
 &end
#
#   74 ARG  HN           40 GLN  HB+         5.50    (#   2473:25  Preassigned    2.56, 3.54 A)
 &rst
  ixpk= 2473, nxpk= 25, iat=1194,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 627, 628,
 &end
#
#    0 AMB  25-3:2474    40 GLN  HB-         4.50    (#   2474:25  Single Ambig)
 &rst
  ixpk= 2474, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 570, 571, 572,1141,1142,1143,1145,1146,1147,
 igr2= 627, 628,
 &end
#
#   37 PRO  HD-          40 GLN  HB-         5.50    (#   2475:25  Preassigned    3.25, 4.88 A)
 &rst
  ixpk= 2475, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 584, 585,
 igr2= 627, 628,
 &end
#
#   37 PRO  HD+          40 GLN  HB-         5.50    (#   2476:25  Preassigned    3.25, 4.88 A)
 &rst
  ixpk= 2476, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 584, 585,
 igr2= 627, 628,
 &end
#
#   41 GLN  HN           40 GLN  HB-         5.50    (#   2477:25  Preassigned    3.90, 4.24 A)
 &rst
  ixpk= 2477, nxpk= 25, iat= 640,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 627, 628,
 &end
#
#    0 AMB  25-3:2478    40 GLN  HB-         3.50    (#   2478:25  Single Ambig)
 &rst
  ixpk= 2478, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 635, 636, 623,
 igr2= 627, 628,
 &end
#
#   74 ARG  HN           40 GLN  HB-         5.50    (#   2479:25  Unique         2.56, 3.54 A)
 &rst
  ixpk= 2479, nxpk= 25, iat=1194,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 627, 628,
 &end
#
#   73 LEU  HN            0 AMB  25-1:2480   4.50    (#   2480:25  Single Ambig)
 &rst
  ixpk= 2480, nxpk= 25, iat=1175,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 630, 631, 630, 631,
 &end
#
#   41 GLN  HN            0 AMB  25-1:2481   4.50    (#   2481:25  Single Ambig)
 &rst
  ixpk= 2481, nxpk= 25, iat= 640,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 630, 631, 630, 631,
 &end
#
#   40 GLN  HE2-          0 AMB  25-1:2482   4.50    (#   2482:25  Single Ambig)
 &rst
  ixpk= 2482, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 635, 636,
 igr2= 630, 631, 630, 631,
 &end
#
#    0 AMB  25-3:2484     0 AMB  25-1:2484   4.50    (#   2484:25  Double Ambig)
 &rst
  ixpk= 2484, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 584, 585, 584, 585,
 igr2= 630, 631, 630, 631,
 &end
#
#   37 PRO  HD-           0 AMB  25-1:2486   4.50    (#   2486:25  Single Ambig)
 &rst
  ixpk= 2486, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 584, 585,
 igr2= 630, 631, 630, 631,
 &end
#
#    0 AMB  25-3:2488     0 AMB  25-1:2488   5.50    (#   2488:25  Double Ambig)
 &rst
  ixpk= 2488, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 615, 616, 615, 616,
 igr2= 630, 631, 630, 631,
 &end
#
#    0 AMB  25-3:2489     0 AMB  25-1:2489   3.50    (#   2489:25  Double Ambig)
 &rst
  ixpk= 2489, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 587, 588, 587, 588,
 igr2= 630, 631, 630, 631,
 &end
#
#    0 AMB  25-3:2490     0 AMB  25-1:2490   4.50    (#   2490:25  Double Ambig)
 &rst
  ixpk= 2490, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1=1198,1199,1201,1202,1201,1202,
 igr2= 630, 631, 630, 631, 630, 631, 630, 631,
 &end
#
#   36 ILE  QG2           0 AMB  25-1:2491   3.50    (#   2491:25  Single Ambig)
 &rst
  ixpk= 2491, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 570, 571, 572,
 igr2= 630, 631, 630, 631,
 &end
#
#    0 AMB  25-3:2492     0 AMB  25-1:2492   7.00    (#   2492:25  Double Ambig)
 &rst
  ixpk= 2492, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=13.61, r4=14.11,
 igr1=1141,1142,1143,1145,1146,1147, 570, 571, 572,
 igr2= 630, 631, 630, 631, 630, 631,
 &end
#
#   69 LEU  QD-          41 GLN  HA          4.50    (#   2493:25  Preassigned    3.89, 5.41 A)
 &rst
  ixpk= 2493, nxpk= 25, iat=  -1, 642, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1106,1107,1108,1110,1111,1112,
 &end
#
#    0 AMB  25-3:2494    41 GLN  HA          3.50    (#   2494:25  Single Ambig)
 &rst
  ixpk= 2494, nxpk= 25, iat=  -1, 642, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 661, 662, 425, 426, 428, 429,1158,1159,1158,1159,
      
 &end
#
#   41 GLN  HG+          41 GLN  HA          4.50    (#   2495:25  Preassigned    2.53, 2.87 A)
 &rst
  ixpk= 2495, nxpk= 25, iat=  -1, 642, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 647, 648,
 &end
#
#    0 AMB  25-3:2496    41 GLN  HA          5.50    (#   2496:25  Single Ambig)
 &rst
  ixpk= 2496, nxpk= 25, iat=  -1, 642, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1153,1118,
 &end
#
#   41 GLN  HE2+         41 GLN  HA          5.50    (#   2498:25  Preassigned    4.49, 5.25 A)
 &rst
  ixpk= 2498, nxpk= 25, iat=  -1, 642, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 652, 653,
 &end
#
#   41 GLN  HN           41 GLN  HA          4.50    (#   2499:25  Preassigned    2.94, 2.94 A)
 &rst
  ixpk= 2499, nxpk= 25, iat= 640, 642, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   74 ARG  HN           41 GLN  HA          7.00    (#   2500:25  Unique         5.58, 5.62 A)
 &rst
  ixpk= 2500, nxpk= 25, iat=1194, 642, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   70 VAL  HN           41 GLN  HA          5.50    (#   2501:25  Preassigned    4.50, 4.66 A)
 &rst
  ixpk= 2501, nxpk= 25, iat=1116, 642, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   42 ARG  HN            0 AMB  25-1:2503   5.50    (#   2503:25  Single Ambig)
 &rst
  ixpk= 2503, nxpk= 25, iat= 657,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 644, 645, 644, 645,
 &end
#
#   62 GLN  HN            0 AMB  25-1:2504   3.50    (#   2504:25  Single Ambig)
 &rst
  ixpk= 2504, nxpk= 25, iat= 982,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 986, 987, 986, 987,
 &end
#
#   41 GLN  HN            0 AMB  25-1:2505   4.50    (#   2505:25  Single Ambig)
 &rst
  ixpk= 2505, nxpk= 25, iat= 640,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 644, 645, 644, 645,
 &end
#
#   27 LYS  HA            0 AMB  25-1:2506   5.50    (#   2506:25  Single Ambig)
 &rst
  ixpk= 2506, nxpk= 25, iat= 420,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 644, 645, 644, 645,
 &end
#
#    0 AMB  25-3:2508     0 AMB  25-1:2508   4.50    (#   2508:25  Double Ambig)
 &rst
  ixpk= 2508, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 607, 642,
 igr2= 644, 645, 644, 645, 644, 645,
 &end
#
#    0 AMB  25-3:2509     0 AMB  25-1:2509   5.50    (#   2509:25  Double Ambig)
 &rst
  ixpk= 2509, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
 igr1=1001,1040,1041,1040,1041,
 igr2= 986, 987, 986, 987, 986, 987,
 &end
#
#    0 AMB  25-3:2512     0 AMB  25-1:2512   4.50    (#   2512:25  Double Ambig)
 &rst
  ixpk= 2512, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 647, 648, 647, 648,
 igr2= 644, 645, 644, 645,
 &end
#
#    0 AMB  25-3:2513     0 AMB  25-1:2513   3.50    (#   2513:25  Double Ambig)
 &rst
  ixpk= 2513, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 604, 605, 604, 605,
 igr2= 644, 645, 644, 645,
 &end
#
#    0 AMB  25-3:2514     0 AMB  25-1:2514   4.50    (#   2514:25  Double Ambig)
 &rst
  ixpk= 2514, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1=1106,1107,1108,1110,1111,1112,1106,1107,1108,1110,
      1111,1112,
 igr2= 644, 645, 644, 645,
 &end
#
#   41 GLN  HN           42 ARG  HB+         5.50    (#   2515:25  Preassigned    5.14, 5.68 A)
 &rst
  ixpk= 2515, nxpk= 25, iat= 640,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 661, 662,
 &end
#
#    0 AMB  25-3:2516     0 AMB  25-1:2516   5.50    (#   2516:25  Double Ambig)
 &rst
  ixpk= 2516, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 607, 642,
 igr2= 482, 483, 482, 483,
 &end
#
#    0 AMB  25-3:2517     0 AMB  25-1:2517   4.50    (#   2517:25  Double Ambig)
 &rst
  ixpk= 2517, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 422, 423, 422, 423,
 igr2= 644, 645, 644, 645,
 &end
#
#   69 LEU  QD-          41 GLN  HG+         4.50    (#   2518:25  Preassigned    1.95, 4.20 A)
 &rst
  ixpk= 2518, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1106,1107,1108,1110,1111,1112,
 igr2= 647, 648,
 &end
#
#   36 ILE  QG2          41 GLN  HG+         4.50    (#   2519:25  Preassigned    2.51, 4.28 A)
 &rst
  ixpk= 2519, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 570, 571, 572,
 igr2= 647, 648,
 &end
#
#   69 LEU  QD+          41 GLN  HG+         4.50    (#   2520:25  Preassigned    1.95, 4.20 A)
 &rst
  ixpk= 2520, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1106,1107,1108,1110,1111,1112,
 igr2= 647, 648,
 &end
#
#    0 AMB  25-3:2521     0 AMB  25-1:2521   4.50    (#   2521:25  Double Ambig)
 &rst
  ixpk= 2521, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 568, 425, 426,
 igr2= 647, 648, 647, 648,
 &end
#
#    0 AMB  25-3:2522     0 AMB  25-1:2522   4.50    (#   2522:25  Double Ambig)
 &rst
  ixpk= 2522, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 644, 645, 644, 645,
 igr2= 647, 648, 647, 648,
 &end
#
#    0 AMB  25-3:2523     0 AMB  25-1:2523   4.50    (#   2523:25  Double Ambig)
 &rst
  ixpk= 2523, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 422, 423, 482, 483, 495, 496,
 igr2= 647, 648, 647, 648, 647, 648,
 &end
#
#   41 GLN  HA           41 GLN  HG+         4.50    (#   2524:25  Unique         2.53, 2.87 A)
 &rst
  ixpk= 2524, nxpk= 25, iat= 642,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 647, 648,
 &end
#
#   41 GLN  HE2+         41 GLN  HG+         4.50    (#   2525:25  Preassigned    2.61, 3.51 A)
 &rst
  ixpk= 2525, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 652, 653,
 igr2= 647, 648,
 &end
#
#   41 GLN  HE2-         41 GLN  HG+         4.50    (#   2526:25  Preassigned    2.61, 3.51 A)
 &rst
  ixpk= 2526, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 652, 653,
 igr2= 647, 648,
 &end
#
#   41 GLN  HN           41 GLN  HG+         4.50    (#   2527:25  Preassigned    4.35, 4.60 A)
 &rst
  ixpk= 2527, nxpk= 25, iat= 640,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 647, 648,
 &end
#
#   40 GLN  HN           41 GLN  HG+         7.00    (#   2528:25  Preassigned    6.12, 6.18 A)
 &rst
  ixpk= 2528, nxpk= 25, iat= 623,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 647, 648,
 &end
#
#   42 ARG  HN           41 GLN  HG+         5.50    (#   2529:25  Preassigned    3.25, 3.86 A)
 &rst
  ixpk= 2529, nxpk= 25, iat= 657,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 647, 648,
 &end
#
#    0 AMB  25-3:2530    42 ARG  HA          4.50    (#   2530:25  Single Ambig)
 &rst
  ixpk= 2530, nxpk= 25, iat=  -1, 659, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 690, 691, 692, 694, 695, 696, 690, 691, 692, 694,
       695, 696,
 &end
#
#    0 AMB  25-3:2531    42 ARG  HA          5.50    (#   2531:25  Single Ambig)
 &rst
  ixpk= 2531, nxpk= 25, iat=  -1, 659, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1122,1123,1124,1126,1127,1128, 710, 711,
 &end
#
#   43 LEU  HB+          42 ARG  HA          5.50    (#   2532:25  Preassigned    4.04, 4.76 A)
 &rst
  ixpk= 2532, nxpk= 25, iat=  -1, 659, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 685, 686,
 &end
#
#    0 AMB  25-3:2533    42 ARG  HA          4.50    (#   2533:25  Single Ambig)
 &rst
  ixpk= 2533, nxpk= 25, iat=  -1, 659, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 785, 786, 785, 786,
 &end
#
#   27 LYS  HE-          42 ARG  HA          5.50    (#   2534:25  Preassigned    1.97, 3.04 A)
 &rst
  ixpk= 2534, nxpk= 25, iat=  -1, 659, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 431, 432,
 &end
#
#   42 ARG  HD+          42 ARG  HA          4.50    (#   2535:25  Preassigned    3.26, 4.16 A)
 &rst
  ixpk= 2535, nxpk= 25, iat=  -1, 659, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 667, 668,
 &end
#
#   41 GLN  HA           42 ARG  HA          5.50    (#   2536:25  Preassigned    4.42, 4.43 A)
 &rst
  ixpk= 2536, nxpk= 25, iat= 642, 659, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   43 LEU  HA           42 ARG  HA          5.50    (#   2538:25  Preassigned    4.36, 4.38 A)
 &rst
  ixpk= 2538, nxpk= 25, iat= 683, 659, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   42 ARG  HN           42 ARG  HA          3.50    (#   2539:25  Preassigned    2.90, 2.91 A)
 &rst
  ixpk= 2539, nxpk= 25, iat= 657, 659, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:2540     0 AMB  25-1:2540   3.50    (#   2540:25  Double Ambig)
 &rst
  ixpk= 2540, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 664, 665, 664, 665,
 igr2= 661, 662, 661, 662,
 &end
#
#   42 ARG  HN           42 ARG  HB+         4.50    (#   2542:25  Preassigned    2.22, 2.64 A)
 &rst
  ixpk= 2542, nxpk= 25, iat= 657,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 661, 662,
 &end
#
#   42 ARG  HD-          42 ARG  HB+         4.50    (#   2543:25  Preassigned    1.94, 2.94 A)
 &rst
  ixpk= 2543, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 667, 668,
 igr2= 661, 662,
 &end
#
#   70 VAL  HN           42 ARG  HB+         5.50    (#   2544:25  Preassigned    4.29, 5.05 A)
 &rst
  ixpk= 2544, nxpk= 25, iat=1116,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 661, 662,
 &end
#
#   43 LEU  HN           42 ARG  HB+         5.50    (#   2545:25  Unique         3.52, 3.89 A)
 &rst
  ixpk= 2545, nxpk= 25, iat= 681,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 661, 662,
 &end
#
#   70 VAL  HN            0 AMB  25-1:2547   5.50    (#   2547:25  Single Ambig)
 &rst
  ixpk= 2547, nxpk= 25, iat=1116,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 664, 665, 664, 665,
 &end
#
#   43 LEU  HN            0 AMB  25-1:2548   4.50    (#   2548:25  Single Ambig)
 &rst
  ixpk= 2548, nxpk= 25, iat= 681,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 664, 665, 664, 665,
 &end
#
#   50 LEU  HN           50 LEU  HG          4.50    (#   2549:25  Preassigned    1.93, 2.39 A)
 &rst
  ixpk= 2549, nxpk= 25, iat= 795, 802, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   42 ARG  HN            0 AMB  25-1:2550   4.50    (#   2550:25  Single Ambig)
 &rst
  ixpk= 2550, nxpk= 25, iat= 657,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 664, 665, 664, 665,
 &end
#
#    0 AMB  25-3:2551     0 AMB  25-1:2551   5.50    (#   2551:25  Double Ambig)
 &rst
  ixpk= 2551, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 790, 791, 790, 791,
 igr2= 664, 665, 664, 665,
 &end
#
#   42 ARG  HE            0 AMB  25-1:2552   5.50    (#   2552:25  Single Ambig)
 &rst
  ixpk= 2552, nxpk= 25, iat= 670,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 664, 665, 664, 665,
 &end
#
#   42 ARG  HA            0 AMB  25-1:2553   3.50    (#   2553:25  Single Ambig)
 &rst
  ixpk= 2553, nxpk= 25, iat= 659,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 664, 665, 664, 665,
 &end
#
#    0 AMB  25-3:2554     0 AMB  25-1:2554   5.50    (#   2554:25  Double Ambig)
 &rst
  ixpk= 2554, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1153,1118,
 igr2= 664, 665, 664, 665, 664, 665,
 &end
#
#   42 ARG  HD-           0 AMB  25-1:2555   2.80    (#   2555:25  Single Ambig)
 &rst
  ixpk= 2555, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 667, 668,
 igr2= 664, 665, 664, 665,
 &end
#
#    0 AMB  25-3:2556     0 AMB  25-1:2556   5.50    (#   2556:25  Double Ambig)
 &rst
  ixpk= 2556, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 785, 786, 785, 786, 785, 786,
 igr2= 664, 665, 664, 665, 664, 665,
 &end
#
#    0 AMB  25-3:2557     0 AMB  25-1:2557   3.50    (#   2557:25  Double Ambig)
 &rst
  ixpk= 2557, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 661, 662, 661, 662,1120,
 igr2= 664, 665, 664, 665, 664, 665,
 &end
#
#   42 ARG  HB-           0 AMB  25-1:2558   3.50    (#   2558:25  Single Ambig)
 &rst
  ixpk= 2558, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 661, 662,
 igr2= 664, 665, 664, 665,
 &end
#
#    0 AMB  25-3:2559     0 AMB  25-1:2559   4.50    (#   2559:25  Double Ambig)
 &rst
  ixpk= 2559, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1=1122,1123,1124,1126,1127,1128, 710, 711,
 igr2= 664, 665, 664, 665, 664, 665,
 &end
#
#    0 AMB  25-3:2560     0 AMB  25-1:2560   4.50    (#   2560:25  Double Ambig)
 &rst
  ixpk= 2560, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1=1122,1123,1124,1126,1127,1128,1122,1123,1124,1126,
      1127,1128,
 igr2= 664, 665, 664, 665,
 &end
#
#   50 LEU  QD+          50 LEU  HG          3.50    (#   2561:25  Preassigned    2.22, 2.63 A)
 &rst
  ixpk= 2561, nxpk= 25, iat=  -1, 802, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 804, 805, 806, 808, 809, 810,
 &end
#
#   50 LEU  QD-          50 LEU  HG          4.50    (#   2562:25  Preassigned    2.22, 2.63 A)
 &rst
  ixpk= 2562, nxpk= 25, iat=  -1, 802, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 804, 805, 806, 808, 809, 810,
 &end
#
#   44 ILE  QD1          42 ARG  HD-         5.50    (#   2563:25  Preassigned    3.86, 6.89 A)
 &rst
  ixpk= 2563, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 713, 714, 715,
 igr2= 667, 668,
 &end
#
#   44 ILE  QD1          42 ARG  HD+         5.50    (#   2564:25  Preassigned    3.86, 6.89 A)
 &rst
  ixpk= 2564, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 713, 714, 715,
 igr2= 667, 668,
 &end
#
#   70 VAL  QG+          42 ARG  HD+         4.50    (#   2565:25  Preassigned    2.16, 6.17 A)
 &rst
  ixpk= 2565, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1122,1123,1124,1126,1127,1128,
 igr2= 667, 668,
 &end
#
#   70 VAL  QG+          42 ARG  HD-         5.50    (#   2566:25  Preassigned    2.16, 6.17 A)
 &rst
  ixpk= 2566, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1122,1123,1124,1126,1127,1128,
 igr2= 667, 668,
 &end
#
#   70 VAL  QG-          42 ARG  HD-         4.50    (#   2567:25  Preassigned    2.16, 6.17 A)
 &rst
  ixpk= 2567, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1122,1123,1124,1126,1127,1128,
 igr2= 667, 668,
 &end
#
#   70 VAL  QG-          42 ARG  HD+         4.50    (#   2568:25  Preassigned    2.16, 6.17 A)
 &rst
  ixpk= 2568, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1122,1123,1124,1126,1127,1128,
 igr2= 667, 668,
 &end
#
#   42 ARG  HB+          42 ARG  HD+         3.50    (#   2571:25  Unique         1.94, 2.94 A)
 &rst
  ixpk= 2571, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 661, 662,
 igr2= 667, 668,
 &end
#
#   42 ARG  HB+          42 ARG  HD-         4.50    (#   2572:25  Unique         1.94, 2.94 A)
 &rst
  ixpk= 2572, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 661, 662,
 igr2= 667, 668,
 &end
#
#    0 AMB  25-3:2573    42 ARG  HD-         5.50    (#   2573:25  Single Ambig)
 &rst
  ixpk= 2573, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 785, 786, 785, 786,
 igr2= 667, 668,
 &end
#
#    0 AMB  25-3:2574     0 AMB  25-1:2574   5.50    (#   2574:25  Double Ambig)
 &rst
  ixpk= 2574, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 785, 786, 785, 786,
 igr2= 667, 668, 667, 668,
 &end
#
#   72 ARG  HA           42 ARG  HD-         5.50    (#   2575:25  Unique         1.99, 3.18 A)
 &rst
  ixpk= 2575, nxpk= 25, iat=1153,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 667, 668,
 &end
#
#   72 ARG  HA           42 ARG  HD+         5.50    (#   2576:25  Unique         1.99, 3.18 A)
 &rst
  ixpk= 2576, nxpk= 25, iat=1153,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 667, 668,
 &end
#
#   42 ARG  HA           42 ARG  HD+         4.50    (#   2577:25  Preassigned    3.26, 4.16 A)
 &rst
  ixpk= 2577, nxpk= 25, iat= 659,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 667, 668,
 &end
#
#   42 ARG  HA           42 ARG  HD-         5.50    (#   2578:25  Preassigned    3.26, 4.16 A)
 &rst
  ixpk= 2578, nxpk= 25, iat= 659,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 667, 668,
 &end
#
#   42 ARG  HE           42 ARG  HD-         5.50    (#   2579:25  Unique         2.27, 2.73 A)
 &rst
  ixpk= 2579, nxpk= 25, iat= 670,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 667, 668,
 &end
#
#   42 ARG  HE           42 ARG  HD+         5.50    (#   2580:25  Unique         2.27, 2.73 A)
 &rst
  ixpk= 2580, nxpk= 25, iat= 670,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 667, 668,
 &end
#
#   49 GLN  HE2+         42 ARG  HD+         5.50    (#   2581:25  Preassigned    1.92, 4.02 A)
 &rst
  ixpk= 2581, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 790, 791,
 igr2= 667, 668,
 &end
#
#   49 GLN  HE2+         42 ARG  HD-         5.50    (#   2582:25  Preassigned    1.92, 4.02 A)
 &rst
  ixpk= 2582, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 790, 791,
 igr2= 667, 668,
 &end
#
#   42 ARG  HN           42 ARG  HD-         5.50    (#   2583:25  Preassigned    4.30, 5.05 A)
 &rst
  ixpk= 2583, nxpk= 25, iat= 657,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 667, 668,
 &end
#
#   42 ARG  HN           42 ARG  HD+         5.50    (#   2584:25  Preassigned    4.30, 5.05 A)
 &rst
  ixpk= 2584, nxpk= 25, iat= 657,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 667, 668,
 &end
#
#   43 LEU  HN           42 ARG  HD+         5.50    (#   2585:25  Preassigned    4.40, 4.81 A)
 &rst
  ixpk= 2585, nxpk= 25, iat= 681,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 667, 668,
 &end
#
#   43 LEU  HN           42 ARG  HD-         7.00    (#   2586:25  Preassigned    4.40, 4.81 A)
 &rst
  ixpk= 2586, nxpk= 25, iat= 681,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 667, 668,
 &end
#
#   45 PHE  HN           45 PHE  HB+         4.50    (#   2587:25  Unique         2.75, 2.99 A)
 &rst
  ixpk= 2587, nxpk= 25, iat= 719,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 723, 724,
 &end
#
#    0 AMB  25-3:2588     0 AMB  25-1:2588   3.50    (#   2588:25  Double Ambig)
 &rst
  ixpk= 2588, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 735, 727,
 igr2= 723, 724, 723, 724,
 &end
#
#   45 PHE  HA           45 PHE  HB+         3.50    (#   2589:25  Preassigned    2.48, 2.76 A)
 &rst
  ixpk= 2589, nxpk= 25, iat= 721,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 723, 724,
 &end
#
#   67 LEU  HA           45 PHE  HB+         4.50    (#   2590:25  Preassigned    3.60, 4.55 A)
 &rst
  ixpk= 2590, nxpk= 25, iat=1063,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 723, 724,
 &end
#
#   67 LEU  HG           45 PHE  HB+         4.50    (#   2591:25  Unique         3.27, 4.27 A)
 &rst
  ixpk= 2591, nxpk= 25, iat=1068,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 723, 724,
 &end
#
#   46 ALA  QB           45 PHE  HB+         5.50    (#   2592:25  Preassigned    4.07, 5.65 A)
 &rst
  ixpk= 2592, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 743, 744, 745,
 igr2= 723, 724,
 &end
#
#    0 AMB  25-3:2593     0 AMB  25-1:2593   4.50    (#   2593:25  Double Ambig)
 &rst
  ixpk= 2593, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1=1070,1071,1072,1074,1075,1076,1070,1071,1072,1074,
      1075,1076,
 igr2= 723, 724, 723, 724,
 &end
#
#   50 LEU  QD+          45 PHE  HB+         3.50    (#   2594:25  Preassigned    1.91, 3.48 A)
 &rst
  ixpk= 2594, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 804, 805, 806, 808, 809, 810,
 igr2= 723, 724,
 &end
#
#   50 LEU  QD-          45 PHE  HB+         4.50    (#   2595:25  Preassigned    1.91, 3.48 A)
 &rst
  ixpk= 2595, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 804, 805, 806, 808, 809, 810,
 igr2= 723, 724,
 &end
#
#   50 LEU  QD+          43 LEU  HA          5.50    (#   2596:25  Preassigned    3.86, 5.96 A)
 &rst
  ixpk= 2596, nxpk= 25, iat=  -1, 683, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 804, 805, 806, 808, 809, 810,
 &end
#
#    0 AMB  25-3:2597    43 LEU  HA          4.50    (#   2597:25  Single Ambig)
 &rst
  ixpk= 2597, nxpk= 25, iat=  -1, 683, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39,
 igr1=1106,1107,1108,1110,1111,1112,1070,1071,1072,1074,
      1075,1076,  83,  84,  85,  87,  88,  89,  83,  84,
        85,  87,  88,  89, 482, 483, 478, 479, 480,
 &end
#
#    0 AMB  25-3:2598    43 LEU  HA          3.50    (#   2598:25  Single Ambig)
 &rst
  ixpk= 2598, nxpk= 25, iat=  -1, 683, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 690, 691, 692, 694, 695, 696, 690, 691, 692, 694,
       695, 696,
 &end
#
#   44 ILE  HG1-         43 LEU  HA          4.50    (#   2599:25  Preassigned    3.73, 4.65 A)
 &rst
  ixpk= 2599, nxpk= 25, iat=  -1, 683, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 710, 711,
 &end
#
#   43 LEU  HB+          43 LEU  HA          3.50    (#   2600:25  Preassigned    2.80, 2.84 A)
 &rst
  ixpk= 2600, nxpk= 25, iat=  -1, 683, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 685, 686,
 &end
#
#    0 AMB  25-3:2601    43 LEU  HA          3.50    (#   2601:25  Single Ambig)
 &rst
  ixpk= 2601, nxpk= 25, iat=  -1, 683, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 688, 685, 686, 664, 665,
 &end
#
#   44 ILE  HB           43 LEU  HA          4.50    (#   2602:25  Preassigned    4.32, 4.39 A)
 &rst
  ixpk= 2602, nxpk= 25, iat= 704, 683, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:2603    43 LEU  HA          5.50    (#   2603:25  Single Ambig)
 &rst
  ixpk= 2603, nxpk= 25, iat=  -1, 683, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1120, 661, 662,
 &end
#
#    0 AMB  25-3:2604    43 LEU  HA          5.50    (#   2604:25  Single Ambig)
 &rst
  ixpk= 2604, nxpk= 25, iat=  -1, 683, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 431, 432,1084,1085,
 &end
#
#   68 HIS  HB+          43 LEU  HA          5.50    (#   2605:25  Preassigned    4.84, 5.26 A)
 &rst
  ixpk= 2605, nxpk= 25, iat=  -1, 683, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1084,1085,
 &end
#
#   42 ARG  HA           43 LEU  HA          4.50    (#   2606:25  Preassigned    4.36, 4.38 A)
 &rst
  ixpk= 2606, nxpk= 25, iat= 659, 683, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   44 ILE  HA           43 LEU  HA          5.50    (#   2607:25  Preassigned    4.39, 4.41 A)
 &rst
  ixpk= 2607, nxpk= 25, iat= 702, 683, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   69 LEU  HA           43 LEU  HA          4.50    (#   2608:25  Preassigned    3.17, 3.37 A)
 &rst
  ixpk= 2608, nxpk= 25, iat=1099, 683, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   50 LEU  HN           43 LEU  HA          7.00    (#   2609:25  Preassigned    4.67, 4.76 A)
 &rst
  ixpk= 2609, nxpk= 25, iat= 795, 683, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   43 LEU  HN           43 LEU  HA          4.50    (#   2610:25  Preassigned    2.91, 2.94 A)
 &rst
  ixpk= 2610, nxpk= 25, iat= 681, 683, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   68 HIS  HN           43 LEU  HA          4.50    (#   2611:25  Preassigned    4.49, 4.56 A)
 &rst
  ixpk= 2611, nxpk= 25, iat=1080, 683, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   44 ILE  HN           43 LEU  HA          3.50    (#   2612:25  Preassigned    2.14, 2.20 A)
 &rst
  ixpk= 2612, nxpk= 25, iat= 700, 683, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   44 ILE  HN           43 LEU  HB-         4.50    (#   2613:25  Preassigned    3.16, 3.85 A)
 &rst
  ixpk= 2613, nxpk= 25, iat= 700,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 685, 686,
 &end
#
#   43 LEU  HN           43 LEU  HB-         4.50    (#   2614:25  Preassigned    2.15, 2.80 A)
 &rst
  ixpk= 2614, nxpk= 25, iat= 681,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 685, 686,
 &end
#
#   50 LEU  HN           43 LEU  HB-         5.50    (#   2615:25  Preassigned    3.26, 3.75 A)
 &rst
  ixpk= 2615, nxpk= 25, iat= 795,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 685, 686,
 &end
#
#    0 AMB  25-3:2616    43 LEU  HB-         5.50    (#   2616:25  Single Ambig)
 &rst
  ixpk= 2616, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1099, 721,1082,
 igr2= 685, 686,
 &end
#
#   43 LEU  HA           43 LEU  HB-         4.50    (#   2617:25  Preassigned    2.80, 2.84 A)
 &rst
  ixpk= 2617, nxpk= 25, iat= 683,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 685, 686,
 &end
#
#    0 AMB  25-3:2618    43 LEU  HB-         5.50    (#   2618:25  Single Ambig)
 &rst
  ixpk= 2618, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 659, 816,
 igr2= 685, 686,
 &end
#
#    0 AMB  25-3:2619    43 LEU  HB-         5.50    (#   2619:25  Single Ambig)
 &rst
  ixpk= 2619, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1= 364, 365,1120, 661, 662,
 igr2= 685, 686,
 &end
#
#   23 ILE  HG1-         43 LEU  HB-         5.50    (#   2620:25  Unique         4.31, 5.24 A)
 &rst
  ixpk= 2620, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 364, 365,
 igr2= 685, 686,
 &end
#
#    0 AMB  25-3:2621    43 LEU  HB-         3.50    (#   2621:25  Single Ambig)
 &rst
  ixpk= 2621, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 690, 691, 692, 694, 695, 696, 690, 691, 692, 694,
       695, 696, 360, 361, 362,
 igr2= 685, 686,
 &end
#
#   50 LEU  QD+          43 LEU  HB-         3.50    (#   2622:25  Preassigned    1.87, 4.34 A)
 &rst
  ixpk= 2622, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 804, 805, 806, 808, 809, 810,
 igr2= 685, 686,
 &end
#
#   50 LEU  QD-          43 LEU  HB-         7.00    (#   2623:25  Preassigned    1.87, 4.34 A)
 &rst
  ixpk= 2623, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1= 804, 805, 806, 808, 809, 810,
 igr2= 685, 686,
 &end
#
#   50 LEU  QD-          43 LEU  HB+         7.00    (#   2624:25  Preassigned    1.87, 4.34 A)
 &rst
  ixpk= 2624, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1= 804, 805, 806, 808, 809, 810,
 igr2= 685, 686,
 &end
#
#   23 ILE  HG1-         43 LEU  HB+         5.50    (#   2625:25  Unique         4.31, 5.24 A)
 &rst
  ixpk= 2625, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 364, 365,
 igr2= 685, 686,
 &end
#
#    0 AMB  25-3:2626     0 AMB  25-1:2626   5.50    (#   2626:25  Double Ambig)
 &rst
  ixpk= 2626, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 364, 365, 422, 423, 661, 662,
 igr2= 685, 686, 685, 686, 685, 686,
 &end
#
#    0 AMB  25-3:2627     0 AMB  25-1:2627   5.50    (#   2627:25  Double Ambig)
 &rst
  ixpk= 2627, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1099, 721,1082,
 igr2= 685, 686, 685, 686, 685, 686,
 &end
#
#   50 LEU  HN           43 LEU  HB+         5.50    (#   2628:25  Preassigned    3.26, 3.75 A)
 &rst
  ixpk= 2628, nxpk= 25, iat= 795,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 685, 686,
 &end
#
#   44 ILE  HN           43 LEU  HB+         4.50    (#   2629:25  Preassigned    3.16, 3.85 A)
 &rst
  ixpk= 2629, nxpk= 25, iat= 700,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 685, 686,
 &end
#
#    7 THR  HN           69 LEU  QD-         5.50    (#   2630:25  Unique         4.55, 6.81 A)
 &rst
  ixpk= 2630, nxpk= 25, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1106,1107,1108,1110,1111,1112,
 &end
#
#   43 LEU  HA           69 LEU  QD-         4.50    (#   2631:25  Preassigned    4.26, 6.24 A)
 &rst
  ixpk= 2631, nxpk= 25, iat= 683,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1106,1107,1108,1110,1111,1112,
 &end
#
#   23 ILE  HA           56 LEU  QD-         5.50    (#   2632:25  Preassigned    3.25, 5.45 A)
 &rst
  ixpk= 2632, nxpk= 25, iat= 356,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 895, 896, 897, 899, 900, 901,
 &end
#
#   43 LEU  HB+          43 LEU  QD+         3.50    (#   2634:25  Preassigned    2.37, 3.31 A)
 &rst
  ixpk= 2634, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 685, 686,
 igr2= 690, 691, 692, 694, 695, 696,
 &end
#
#   43 LEU  HG           43 LEU  QD+         2.80    (#   2635:25  Preassigned    2.22, 2.63 A)
 &rst
  ixpk= 2635, nxpk= 25, iat= 688,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 690, 691, 692, 694, 695, 696,
 &end
#
#   69 LEU  HA           43 LEU  QD+         3.50    (#   2636:25  Preassigned    2.53, 4.98 A)
 &rst
  ixpk= 2636, nxpk= 25, iat=1099,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 690, 691, 692, 694, 695, 696,
 &end
#
#   43 LEU  HN           43 LEU  QD+         4.50    (#   2637:25  Preassigned    3.01, 4.67 A)
 &rst
  ixpk= 2637, nxpk= 25, iat= 681,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 690, 691, 692, 694, 695, 696,
 &end
#
#   44 ILE  HN           43 LEU  QD+         3.50    (#   2638:25  Preassigned    3.96, 5.12 A)
 &rst
  ixpk= 2638, nxpk= 25, iat= 700,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 690, 691, 692, 694, 695, 696,
 &end
#
#   69 LEU  HN           43 LEU  QD+         5.50    (#   2639:25  Preassigned    4.94, 7.22 A)
 &rst
  ixpk= 2639, nxpk= 25, iat=1097,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 690, 691, 692, 694, 695, 696,
 &end
#
#   27 LYS  HE-          43 LEU  QD+         5.50    (#   2640:25  Preassigned    2.23, 3.60 A)
 &rst
  ixpk= 2640, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 431, 432,
 igr2= 690, 691, 692, 694, 695, 696,
 &end
#
#    0 AMB  25-3:2641     0 AMB  25-1:2641   5.50    (#   2641:25  Double Ambig)
 &rst
  ixpk= 2641, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 406, 476,
 igr2= 690, 691, 692, 694, 695, 696, 690, 691, 692, 694,
       695, 696,
 &end
#
#   44 ILE  HN           44 ILE  HA          4.50    (#   2642:25  Preassigned    2.94, 2.94 A)
 &rst
  ixpk= 2642, nxpk= 25, iat= 700, 702, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   45 PHE  HN           44 ILE  HA          3.50    (#   2643:25  Preassigned    2.18, 2.20 A)
 &rst
  ixpk= 2643, nxpk= 25, iat= 719, 702, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   50 LEU  HN           44 ILE  HA          4.50    (#   2644:25  Preassigned    2.80, 2.91 A)
 &rst
  ixpk= 2644, nxpk= 25, iat= 795, 702, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   48 LYS  HN           44 ILE  HA          5.50    (#   2645:25  Preassigned    4.55, 4.63 A)
 &rst
  ixpk= 2645, nxpk= 25, iat= 756, 702, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:2646    44 ILE  HA          5.50    (#   2646:25  Single Ambig)
 &rst
  ixpk= 2646, nxpk= 25, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 721,1099,
 &end
#
#   49 GLN  HA           44 ILE  HA          3.50    (#   2647:25  Preassigned    1.93, 2.06 A)
 &rst
  ixpk= 2647, nxpk= 25, iat= 780, 702, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:2648    44 ILE  HA          4.50    (#   2648:25  Single Ambig)
 &rst
  ixpk= 2648, nxpk= 25, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 782, 783, 760, 761, 760, 761,1120,
 &end
#
#   44 ILE  HB           44 ILE  HA          4.50    (#   2649:25  Preassigned    2.98, 3.00 A)
 &rst
  ixpk= 2649, nxpk= 25, iat= 704, 702, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:2650    44 ILE  HA          4.50    (#   2650:25  Single Ambig)
 &rst
  ixpk= 2650, nxpk= 25, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 802, 664, 665, 664, 665, 763, 764, 763, 764,
 &end
#
#   44 ILE  HG1+         44 ILE  HA          4.50    (#   2651:25  Preassigned    2.23, 2.65 A)
 &rst
  ixpk= 2651, nxpk= 25, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 710, 711,
 &end
#
#   44 ILE  HG1-         44 ILE  HA          4.50    (#   2652:25  Preassigned    2.23, 2.65 A)
 &rst
  ixpk= 2652, nxpk= 25, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 710, 711,
 &end
#
#   44 ILE  QG2          44 ILE  HA          3.50    (#   2653:25  Unique         2.57, 3.26 A)
 &rst
  ixpk= 2653, nxpk= 25, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 706, 707, 708,
 &end
#
#   50 LEU  QD+          44 ILE  HA          5.50    (#   2654:25  Preassigned    2.25, 4.67 A)
 &rst
  ixpk= 2654, nxpk= 25, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 804, 805, 806, 808, 809, 810,
 &end
#
#   50 LEU  QD-          44 ILE  HA          4.50    (#   2655:25  Preassigned    2.25, 4.67 A)
 &rst
  ixpk= 2655, nxpk= 25, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 804, 805, 806, 808, 809, 810,
 &end
#
#   68 HIS  HB-          44 ILE  HA          5.50    (#   2656:25  Preassigned    4.26, 4.54 A)
 &rst
  ixpk= 2656, nxpk= 25, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1084,1085,
 &end
#
#    0 AMB  25-3:2657    44 ILE  HA          5.50    (#   2657:25  Single Ambig)
 &rst
  ixpk= 2657, nxpk= 25, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 785, 786, 785, 786,
 &end
#
#   68 HIS  HN           44 ILE  HB          4.50    (#   2658:25  Preassigned    3.83, 4.00 A)
 &rst
  ixpk= 2658, nxpk= 25, iat=1080, 704, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:2659    44 ILE  HB          5.50    (#   2659:25  Single Ambig)
 &rst
  ixpk= 2659, nxpk= 25, iat=  -1, 704, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 719, 739,
 &end
#
#   43 LEU  HA           44 ILE  HB          4.50    (#   2660:25  Preassigned    4.32, 4.39 A)
 &rst
  ixpk= 2660, nxpk= 25, iat= 683, 704, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:2661    44 ILE  HB          5.50    (#   2661:25  Single Ambig)
 &rst
  ixpk= 2661, nxpk= 25, iat=  -1, 704, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1082, 721,1099,
 &end
#
#   44 ILE  HA           44 ILE  HB          4.50    (#   2662:25  Preassigned    2.98, 3.00 A)
 &rst
  ixpk= 2662, nxpk= 25, iat= 702, 704, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   49 GLN  HA           44 ILE  HB          7.00    (#   2663:25  Preassigned    4.47, 4.68 A)
 &rst
  ixpk= 2663, nxpk= 25, iat= 780, 704, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  25-3:2664    44 ILE  HB          5.50    (#   2664:25  Single Ambig)
 &rst
  ixpk= 2664, nxpk= 25, iat=  -1, 704, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 664, 665, 664, 665, 802, 685, 686, 688,
 &end
#
#   70 VAL  QG+          44 ILE  HB          4.50    (#   2665:25  Unique         2.05, 4.38 A)
 &rst
  ixpk= 2665, nxpk= 25, iat=  -1, 704, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1122,1123,1124,1126,1127,1128,
 &end
#
#    0 AMB  25-3:2666     0 AMB  25-1:2666   3.50    (#   2666:25  Double Ambig)
 &rst
  ixpk= 2666, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 713, 714, 715, 706, 707, 708,
 igr2= 710, 711, 710, 711,
 &end
#
#   70 VAL  QG+          44 ILE  HG1+        4.50    (#   2667:25  Preassigned    1.94, 4.12 A)
 &rst
  ixpk= 2667, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1122,1123,1124,1126,1127,1128,
 igr2= 710, 711,
 &end
#
#    0 AMB  25-3:2668     0 AMB  25-1:2668   4.50    (#   2668:25  Double Ambig)
 &rst
  ixpk= 2668, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 664, 665, 664, 665,
 igr2= 710, 711, 710, 711,
 &end
#
#   44 ILE  HB           44 ILE  HG1+        4.50    (#   2669:25  Preassigned    2.35, 2.71 A)
 &rst
  ixpk= 2669, nxpk= 25, iat= 704,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 710, 711,
 &end
#
#    0 AMB  25-3:2670     0 AMB  25-1:2670   4.50    (#   2670:25  Double Ambig)
 &rst
  ixpk= 2670, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1120, 782, 783,
 igr2= 710, 711, 710, 711,
 &end
#
#    0 AMB  25-3:2671     0 AMB  25-1:2671   4.50    (#   2671:25  Double Ambig)
 &rst
  ixpk= 2671, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 785, 786, 785, 786,
 igr2= 710, 711, 710, 711,
 &end
#
#   68 HIS  HB-          44 ILE  HG1+        5.50    (#   2672:25  Preassigned    3.66, 4.82 A)
 &rst
  ixpk= 2672, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1084,1085,
 igr2= 710, 711,
 &end
#
#   68 HIS  HB+          44 ILE  HG1+        5.50    (#   2673:25  Preassigned    3.66, 4.82 A)
 &rst
  ixpk= 2673, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1084,1085,
 igr2= 710, 711,
 &end
#
#   49 GLN  HA           44 ILE  HG1+        4.50    (#   2674:25  Preassigned    2.23, 3.06 A)
 &rst
  ixpk= 2674, nxpk= 25, iat= 780,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 710, 711,
 &end
#
#   44 ILE  HA           44 ILE  HG1+        4.50    (#   2675:25  Preassigned    2.23, 2.65 A)
 &rst
  ixpk= 2675, nxpk= 25, iat= 702,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 710, 711,
 &end
#
#    0 AMB  25-3:2676     0 AMB  25-1:2676   5.50    (#   2676:25  Double Ambig)
 &rst
  ixpk= 2676, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1099, 721,1082,
 igr2= 710, 711, 710, 711, 710, 711,
 &end
#
#   43 LEU  HA           44 ILE  HG1+        5.50    (#   2677:25  Preassigned    3.73, 4.65 A)
 &rst
  ixpk= 2677, nxpk= 25, iat= 683,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 710, 711,
 &end
#
#    0 AMB  25-3:2678     0 AMB  25-1:2678   5.50    (#   2678:25  Double Ambig)
 &rst
  ixpk= 2678, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 795, 749,
 igr2= 710, 711, 710, 711,
 &end
#
#    0 AMB  25-3:2679     0 AMB  25-1:2679   5.50    (#   2679:25  Double Ambig)
 &rst
  ixpk= 2679, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 719, 681,
 igr2= 710, 711, 710, 711,
 &end
#
#   68 HIS  HN           44 ILE  HG1+        5.50    (#   2680:25  Preassigned    5.53, 6.08 A)
 &rst
  ixpk= 2680, nxpk= 25, iat=1080,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 710, 711,
 &end
#
#   44 ILE  HN           44 ILE  HG1+        4.50    (#   2681:25  Preassigned    3.12, 3.70 A)
 &rst
  ixpk= 2681, nxpk= 25, iat= 700,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 710, 711,
 &end
#
#   44 ILE  HN           44 ILE  HG1-        4.50    (#   2682:25  Preassigned    3.12, 3.70 A)
 &rst
  ixpk= 2682, nxpk= 25, iat= 700,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 710, 711,
 &end
#
#   68 HIS  HN           44 ILE  HG1-        5.50    (#   2683:25  Preassigned    5.53, 6.08 A)
 &rst
  ixpk= 2683, nxpk= 25, iat=1080,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 710, 711,
 &end
#
#    0 AMB  25-3:2684    44 ILE  HG1-        5.50    (#   2684:25  Single Ambig)
 &rst
  ixpk= 2684, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 719, 681,
 igr2= 710, 711,
 &end
#
#   49 GLN  HN           44 ILE  HG1-        7.00    (#   2685:25  Preassigned    3.87, 5.15 A)
 &rst
  ixpk= 2685, nxpk= 25, iat= 778,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 710, 711,
 &end
#
#    0 AMB  25-3:2686    44 ILE  HG1-        5.50    (#   2686:25  Single Ambig)
 &rst
  ixpk= 2686, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 795, 749,
 igr2= 710, 711,
 &end
#
#   43 LEU  HA           44 ILE  HG1-        5.50    (#   2687:25  Preassigned    3.73, 4.65 A)
 &rst
  ixpk= 2687, nxpk= 25, iat= 683,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 710, 711,
 &end
#
#    0 AMB  25-3:2688    44 ILE  HG1-        7.00    (#   2688:25  Single Ambig)
 &rst
  ixpk= 2688, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1099, 721,1082,
 igr2= 710, 711,
 &end
#
#   44 ILE  HA           44 ILE  HG1-        4.50    (#   2689:25  Preassigned    2.23, 2.65 A)
 &rst
  ixpk= 2689, nxpk= 25, iat= 702,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 710, 711,
 &end
#
#   49 GLN  HA           44 ILE  HG1-        4.50    (#   2690:25  Preassigned    2.23, 3.06 A)
 &rst
  ixpk= 2690, nxpk= 25, iat= 780,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 710, 711,
 &end
#
#   68 HIS  HB-          44 ILE  HG1-        5.50    (#   2691:25  Preassigned    3.66, 4.82 A)
 &rst
  ixpk= 2691, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1084,1085,
 igr2= 710, 711,
 &end
#
#    0 AMB  25-3:2692    44 ILE  HG1-        4.50    (#   2692:25  Single Ambig)
 &rst
  ixpk= 2692, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 785, 786, 785, 786,
 igr2= 710, 711,
 &end
#
#   49 GLN  HB+          44 ILE  HG1-        5.50    (#   2693:25  Preassigned    2.73, 4.60 A)
 &rst
  ixpk= 2693, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 782, 783,
 igr2= 710, 711,
 &end
#
#    0 AMB  25-3:2694    44 ILE  HG1-        4.50    (#   2694:25  Single Ambig)
 &rst
  ixpk= 2694, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1120, 782, 783,
 igr2= 710, 711,
 &end
#
#   44 ILE  HB           44 ILE  HG1-        4.50    (#   2695:25  Preassigned    2.35, 2.71 A)
 &rst
  ixpk= 2695, nxpk= 25, iat= 704,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 710, 711,
 &end
#
#   42 ARG  HB-          44 ILE  HG1-        5.50    (#   2696:25  Preassigned    3.79, 5.41 A)
 &rst
  ixpk= 2696, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 661, 662,
 igr2= 710, 711,
 &end
#
#    0 AMB  25-3:2697    44 ILE  HG1-        4.50    (#   2697:25  Single Ambig)
 &rst
  ixpk= 2697, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 664, 665, 664, 665,
 igr2= 710, 711,
 &end
#
#   43 LEU  HB+          44 ILE  HG1-        5.50    (#   2698:25  Preassigned    5.24, 6.02 A)
 &rst
  ixpk= 2698, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 685, 686,
 igr2= 710, 711,
 &end
#
#   70 VAL  QG+          44 ILE  HG1-        4.50    (#   2699:25  Preassigned    1.94, 4.12 A)
 &rst
  ixpk= 2699, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1122,1123,1124,1126,1127,1128,
 igr2= 710, 711,
 &end
#
#    0 AMB  25-3:2700    44 ILE  HG1-        3.50    (#   2700:25  Single Ambig)
 &rst
  ixpk= 2700, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 713, 714, 715, 706, 707, 708,
 igr2= 710, 711,
 &end
#
#   49 GLN  HN           44 ILE  QG2         5.50    (#   2701:25  Preassigned    3.65, 5.51 A)
 &rst
  ixpk= 2701, nxpk= 25, iat= 778,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 706, 707, 708,
 &end
#
#    0 AMB  25-3:2702    44 ILE  QG2         5.50    (#   2702:25  Single Ambig)
 &rst
  ixpk= 2702, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 727, 735,
 igr2= 706, 707, 708,
 &end
#
#   43 LEU  HA           44 ILE  QG2         5.50    (#   2703:25  Preassigned    6.12, 6.50 A)
 &rst
  ixpk= 2703, nxpk= 25, iat= 683,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 706, 707, 708,
 &end
#
#   50 LEU  QD-          44 ILE  QG2         5.50    (#   2704:25  Preassigned    4.31, 7.14 A)
 &rst
  ixpk= 2704, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 804, 805, 806, 808, 809, 810,
 igr2= 706, 707, 708,
 &end
#
#   70 VAL  HA           44 ILE  QD1         5.50    (#   2706:25  Unique         5.12, 5.99 A)
 &rst
  ixpk= 2706, nxpk= 25, iat=1118,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 713, 714, 715,
 &end
#
#   43 LEU  HA           44 ILE  QD1         5.50    (#   2708:25  Preassigned    5.86, 6.47 A)
 &rst
  ixpk= 2708, nxpk= 25, iat= 683,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 713, 714, 715,
 &end
#
#   49 GLN  HE2+         44 ILE  QD1         5.50    (#   2709:25  Preassigned    2.32, 5.25 A)
 &rst
  ixpk= 2709, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 790, 791,
 igr2= 713, 714, 715,
 &end
#
#   48 LYS  HN           44 ILE  QD1         5.50    (#   2710:25  Preassigned    5.17, 6.32 A)
 &rst
  ixpk= 2710, nxpk= 25, iat= 756,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 713, 714, 715,
 &end
#
#   68 HIS  HN           45 PHE  HA          5.50    (#   2711:25  Preassigned    3.49, 3.57 A)
 &rst
  ixpk= 2711, nxpk= 25, iat=1080, 721, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   46 ALA  HN           45 PHE  HA          3.50    (#   2712:25  Preassigned    2.14, 2.14 A)
 &rst
  ixpk= 2712, nxpk= 25, iat= 739, 721, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   47 GLY  HN           45 PHE  HA          5.50    (#   2713:25  Preassigned    3.98, 4.08 A)
 &rst
  ixpk= 2713, nxpk= 25, iat= 749, 721, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   48 LYS  HN           45 PHE  HA          5.50    (#   2714:25  Preassigned    4.22, 4.26 A)
 &rst
  ixpk= 2714, nxpk= 25, iat= 756, 721, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   45 PHE  HD1          45 PHE  HA          3.50    (#   2715:25  Preassigned    2.10, 2.19 A)
 &rst
  ixpk= 2715, nxpk= 25, iat= 727, 721, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   67 LEU  HA           45 PHE  HA          3.50    (#   2716:25  Preassigned    3.16, 3.28 A)
 &rst
  ixpk= 2716, nxpk= 25, iat=1063, 721, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   49 GLN  HA           45 PHE  HA          7.00    (#   2717:25  Preassigned    5.96, 6.07 A)
 &rst
  ixpk= 2717, nxpk= 25, iat= 780, 721, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   46 ALA  HA           45 PHE  HA          4.50    (#   2718:25  Preassigned    4.37, 4.37 A)
 &rst
  ixpk= 2718, nxpk= 25, iat= 741, 721, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   45 PHE  HB+          45 PHE  HA          3.50    (#   2719:25  Preassigned    2.48, 2.76 A)
 &rst
  ixpk= 2719, nxpk= 25, iat=  -1, 721, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 723, 724,
 &end
#
#   45 PHE  HB-          45 PHE  HA          3.50    (#   2720:25  Preassigned    2.48, 2.76 A)
 &rst
  ixpk= 2720, nxpk= 25, iat=  -1, 721, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 723, 724,
 &end
#
#    0 AMB  25-3:2721    45 PHE  HA          4.50    (#   2721:25  Single Ambig)
 &rst
  ixpk= 2721, nxpk= 25, iat=  -1, 721, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1068, 704,
 &end
#
#    0 AMB  25-3:2722    45 PHE  HA          4.50    (#   2722:25  Single Ambig)
 &rst
  ixpk= 2722, nxpk= 25, iat=  -1, 721, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 743, 744, 745,1053,1054,1055,
 &end
#
#    0 AMB  25-3:2723    45 PHE  HA          3.50    (#   2723:25  Single Ambig)
 &rst
  ixpk= 2723, nxpk= 25, iat=  -1, 721, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1070,1071,1072,1074,1075,1076, 706, 707, 708,
 &end
#
#   50 LEU  QD+          45 PHE  HA          4.50    (#   2724:25  Unique         3.67, 5.27 A)
 &rst
  ixpk= 2724, nxpk= 25, iat=  -1, 721, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 804, 805, 806, 808, 809, 810,
 &end
#
#   50 LEU  QD-          45 PHE  HA          4.50    (#   2725:25  Preassigned    3.67, 5.27 A)
 &rst
  ixpk= 2725, nxpk= 25, iat=  -1, 721, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 804, 805, 806, 808, 809, 810,
 &end
#
#   50 LEU  QD+          45 PHE  HB-         3.50    (#   2726:25  Preassigned    1.91, 3.48 A)
 &rst
  ixpk= 2726, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 804, 805, 806, 808, 809, 810,
 igr2= 723, 724,
 &end
#
#    0 AMB  25-3:2727    45 PHE  HB-         4.50    (#   2727:25  Single Ambig)
 &rst
  ixpk= 2727, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1070,1071,1072,1074,1075,1076,1070,1071,1072,1074,
      1075,1076,
 igr2= 723, 724,
 &end
#
#   46 ALA  QB           45 PHE  HB-         5.50    (#   2728:25  Preassigned    4.07, 5.65 A)
 &rst
  ixpk= 2728, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 743, 744, 745,
 igr2= 723, 724,
 &end
#
#    0 AMB  25-3:2729    45 PHE  HB-         4.50    (#   2729:25  Single Ambig)
 &rst
  ixpk= 2729, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 763, 764, 763, 764,
 igr2= 723, 724,
 &end
#
#   67 LEU  HG           45 PHE  HB-         4.50    (#   2730:25  Unique         3.27, 4.27 A)
 &rst
  ixpk= 2730, nxpk= 25, iat=1068,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 723, 724,
 &end
#
#   67 LEU  HA           45 PHE  HB-         5.50    (#   2731:25  Preassigned    3.60, 4.55 A)
 &rst
  ixpk= 2731, nxpk= 25, iat=1063,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 723, 724,
 &end
#
#   45 PHE  HA           45 PHE  HB-         3.50    (#   2732:25  Preassigned    2.48, 2.76 A)
 &rst
  ixpk= 2732, nxpk= 25, iat= 721,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 723, 724,
 &end
#
#   45 PHE  HN           45 PHE  HB-         4.50    (#   2733:25  Unique         2.75, 2.99 A)
 &rst
  ixpk= 2733, nxpk= 25, iat= 719,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 723, 724,
 &end
#
#   48 LYS  HN           46 ALA  HA          5.50    (#   2734:25  Preassigned    4.08, 4.13 A)
 &rst
  ixpk= 2734, nxpk= 25, iat= 756, 741, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:2735    46 ALA  HA          5.50    (#   2735:25  Single Ambig)
 &rst
  ixpk= 2735, nxpk= 25, iat=  -1, 741, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 729, 733,
 &end
#
#    0 AMB  25-3:2736    46 ALA  HA          5.50    (#   2736:25  Single Ambig)
 &rst
  ixpk= 2736, nxpk= 25, iat=  -1, 741, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 727, 735,
 &end
#
#   45 PHE  HA           46 ALA  HA          4.50    (#   2737:25  Preassigned    4.37, 4.37 A)
 &rst
  ixpk= 2737, nxpk= 25, iat= 721, 741, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   47 GLY  HA-          46 ALA  HA          4.50    (#   2738:25  Preassigned    4.32, 4.50 A)
 &rst
  ixpk= 2738, nxpk= 25, iat=  -1, 741, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 751, 752,
 &end
#
#   47 GLY  HA+          46 ALA  HA          4.50    (#   2739:25  Preassigned    4.32, 4.50 A)
 &rst
  ixpk= 2739, nxpk= 25, iat=  -1, 741, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 751, 752,
 &end
#
#   44 ILE  QG2          46 ALA  HA          4.50    (#   2740:25  Preassigned    4.91, 5.56 A)
 &rst
  ixpk= 2740, nxpk= 25, iat=  -1, 741, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 706, 707, 708,
 &end
#
#   45 PHE  HB-          46 ALA  QB          5.50    (#   2741:25  Preassigned    4.07, 5.65 A)
 &rst
  ixpk= 2741, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 723, 724,
 igr2= 743, 744, 745,
 &end
#
#    0 AMB  25-3:2742    46 ALA  QB          5.50    (#   2742:25  Single Ambig)
 &rst
  ixpk= 2742, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 751, 752, 953, 954,
 igr2= 743, 744, 745,
 &end
#
#   47 GLY  HA-          46 ALA  QB          5.50    (#   2743:25  Preassigned    4.67, 5.76 A)
 &rst
  ixpk= 2743, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 751, 752,
 igr2= 743, 744, 745,
 &end
#
#    0 AMB  25-3:2744    47 GLY  HA-         4.50    (#   2744:25  Single Ambig)
 &rst
  ixpk= 2744, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 719, 739,
 igr2= 751, 752,
 &end
#
#   48 LYS  HN           47 GLY  HA-         4.50    (#   2745:25  Preassigned    3.18, 3.28 A)
 &rst
  ixpk= 2745, nxpk= 25, iat= 756,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 751, 752,
 &end
#
#   36 ILE  HA           35 GLY  HA-         4.50    (#   2746:25  Preassigned    4.48, 4.51 A)
 &rst
  ixpk= 2746, nxpk= 25, iat= 566,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 559, 560,
 &end
#
#   46 ALA  HA           47 GLY  HA-         5.50    (#   2747:25  Preassigned    4.32, 4.50 A)
 &rst
  ixpk= 2747, nxpk= 25, iat= 741,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 751, 752,
 &end
#
#    0 AMB  25-3:2748    47 GLY  HA-         5.50    (#   2748:25  Single Ambig)
 &rst
  ixpk= 2748, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 763, 764, 763, 764,
 igr2= 751, 752,
 &end
#
#   46 ALA  QB           47 GLY  HA-         4.50    (#   2749:25  Preassigned    4.67, 5.76 A)
 &rst
  ixpk= 2749, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 743, 744, 745,
 igr2= 751, 752,
 &end
#
#   44 ILE  QG2          47 GLY  HA-         4.50    (#   2750:25  Preassigned    3.15, 4.24 A)
 &rst
  ixpk= 2750, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 706, 707, 708,
 igr2= 751, 752,
 &end
#
#   44 ILE  QG2          47 GLY  HA+         4.50    (#   2751:25  Preassigned    3.15, 4.24 A)
 &rst
  ixpk= 2751, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 706, 707, 708,
 igr2= 751, 752,
 &end
#
#   46 ALA  QB           47 GLY  HA+         4.50    (#   2752:25  Preassigned    4.67, 5.76 A)
 &rst
  ixpk= 2752, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 743, 744, 745,
 igr2= 751, 752,
 &end
#
#   44 ILE  HB           47 GLY  HA+         5.50    (#   2753:25  Preassigned    5.53, 6.48 A)
 &rst
  ixpk= 2753, nxpk= 25, iat= 704,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 751, 752,
 &end
#
#    0 AMB  25-3:2757     0 AMB  25-1:2757   5.50    (#   2757:25  Double Ambig)
 &rst
  ixpk= 2757, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 758, 780,
 igr2= 751, 752, 751, 752,
 &end
#
#   48 LYS  HN           47 GLY  HA+         4.50    (#   2758:25  Preassigned    3.18, 3.28 A)
 &rst
  ixpk= 2758, nxpk= 25, iat= 756,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 751, 752,
 &end
#
#    0 AMB  25-3:2759     0 AMB  25-1:2759   4.50    (#   2759:25  Double Ambig)
 &rst
  ixpk= 2759, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 719, 739,
 igr2= 751, 752, 751, 752,
 &end
#
#   45 PHE  HN           48 LYS  HA          4.50    (#   2760:25  Preassigned    4.30, 4.36 A)
 &rst
  ixpk= 2760, nxpk= 25, iat= 719, 758, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   47 GLY  HA-          48 LYS  HA          5.50    (#   2762:25  Preassigned    4.43, 4.51 A)
 &rst
  ixpk= 2762, nxpk= 25, iat=  -1, 758, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 751, 752,
 &end
#
#    0 AMB  25-3:2763    48 LYS  HA          5.50    (#   2763:25  Single Ambig)
 &rst
  ixpk= 2763, nxpk= 25, iat=  -1, 758, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 785, 786, 785, 786,
 &end
#
#    0 AMB  25-3:2764    48 LYS  HA          5.50    (#   2764:25  Single Ambig)
 &rst
  ixpk= 2764, nxpk= 25, iat=  -1, 758, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 706, 707, 708, 713, 714, 715,
 &end
#
#    0 AMB  25-3:2765     0 AMB  25-1:2765   5.50    (#   2765:25  Double Ambig)
 &rst
  ixpk= 2765, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
 igr1= 804, 805, 806, 808, 809, 810, 804, 805, 806, 808,
       809, 810,
 igr2= 760, 761, 760, 761,
 &end
#
#    0 AMB  25-3:2766     2 GLN  HG-         4.50    (#   2766:25  Single Ambig)
 &rst
  ixpk= 2766, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 264, 265,   8,   9,   8,   9,
 igr2=  28,  29,
 &end
#
#    0 AMB  25-3:2767     0 AMB  25-1:2767   5.50    (#   2767:25  Double Ambig)
 &rst
  ixpk= 2767, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
 igr1=1023, 751, 752, 751, 752,
 igr2=  28,  29, 760, 761, 760, 761,
 &end
#
#    2 GLN  HA            2 GLN  HG-         4.50    (#   2768:25  Preassigned    3.52, 3.86 A)
 &rst
  ixpk= 2768, nxpk= 25, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  28,  29,
 &end
#
#   65 SER  HN            2 GLN  HG-         4.50    (#   2769:25  Preassigned    4.58, 5.51 A)
 &rst
  ixpk= 2769, nxpk= 25, iat=1036,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  28,  29,
 &end
#
#    3 ILE  HN            2 GLN  HG-         4.50    (#   2770:25  Preassigned    2.90, 3.56 A)
 &rst
  ixpk= 2770, nxpk= 25, iat=  38,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  28,  29,
 &end
#
#    0 AMB  25-3:2771     0 AMB  25-1:2771   5.50    (#   2771:25  Double Ambig)
 &rst
  ixpk= 2771, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=  57, 795, 749,
 igr2=  28,  29, 760, 761, 760, 761, 760, 761,
 &end
#
#    2 GLN  HN            2 GLN  HG-         4.50    (#   2772:25  Preassigned    3.53, 3.93 A)
 &rst
  ixpk= 2772, nxpk= 25, iat=  21,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  28,  29,
 &end
#
#   64 GLU  HN            0 AMB  25-1:2773   4.50    (#   2773:25  Single Ambig)
 &rst
  ixpk= 2773, nxpk= 25, iat=1021,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1006,1007,1006,1007,
 &end
#
#    2 GLN  HN            0 AMB  25-1:2774   5.50    (#   2774:25  Single Ambig)
 &rst
  ixpk= 2774, nxpk= 25, iat=  21,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2=1006,1007,1006,1007,
 &end
#
#   45 PHE  HN            0 AMB  25-1:2775   5.50    (#   2775:25  Single Ambig)
 &rst
  ixpk= 2775, nxpk= 25, iat= 719,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 763, 764, 763, 764,
 &end
#
#   49 GLN  HN            0 AMB  25-1:2776   4.50    (#   2776:25  Single Ambig)
 &rst
  ixpk= 2776, nxpk= 25, iat= 778,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 763, 764, 763, 764,
 &end
#
#   47 GLY  HN            0 AMB  25-1:2777   5.50    (#   2777:25  Single Ambig)
 &rst
  ixpk= 2777, nxpk= 25, iat= 749,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 763, 764, 763, 764,
 &end
#
#   48 LYS  HN            0 AMB  25-1:2778   3.50    (#   2778:25  Single Ambig)
 &rst
  ixpk= 2778, nxpk= 25, iat= 756,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 763, 764, 763, 764,
 &end
#
#   59 TYR  HD2           0 AMB  25-1:2779   5.50    (#   2779:25  Single Ambig)
 &rst
  ixpk= 2779, nxpk= 25, iat= 945,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 763, 764, 763, 764,
 &end
#
#   59 TYR  HE2           0 AMB  25-1:2780   5.50    (#   2780:25  Single Ambig)
 &rst
  ixpk= 2780, nxpk= 25, iat= 943,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 763, 764, 763, 764,
 &end
#
#   48 LYS  HA            0 AMB  25-1:2781   3.50    (#   2781:25  Single Ambig)
 &rst
  ixpk= 2781, nxpk= 25, iat= 758,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 763, 764, 763, 764,
 &end
#
#   47 GLY  HA-           0 AMB  25-1:2782   5.50    (#   2782:25  Single Ambig)
 &rst
  ixpk= 2782, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 751, 752,
 igr2= 763, 764, 763, 764,
 &end
#
#    0 AMB  25-3:2783     0 AMB  25-1:2783   5.50    (#   2783:25  Double Ambig)
 &rst
  ixpk= 2783, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 751, 752, 751, 752,
 igr2= 763, 764, 763, 764,
 &end
#
#    0 AMB  25-3:2784     0 AMB  25-1:2784   3.50    (#   2784:25  Double Ambig)
 &rst
  ixpk= 2784, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 769, 770, 769, 770, 769, 770,
 igr2= 763, 764, 763, 764, 763, 764,
 &end
#
#    0 AMB  25-3:2785     0 AMB  25-1:2785   2.80    (#   2785:25  Double Ambig)
 &rst
  ixpk= 2785, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
 igr1=1003,1004,1003,1004, 760, 761, 760, 761, 760, 761,
       766, 767, 766, 767, 766, 767,
 igr2=1006,1007,1006,1007, 763, 764, 763, 764, 763, 764,
       763, 764, 763, 764,
 &end
#
#   50 LEU  QD-           0 AMB  25-1:2786   4.50    (#   2786:25  Single Ambig)
 &rst
  ixpk= 2786, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 804, 805, 806, 808, 809, 810,
 igr2= 763, 764, 763, 764,
 &end
#
#   59 TYR  HB-           0 AMB  25-1:2787   5.50    (#   2787:25  Single Ambig)
 &rst
  ixpk= 2787, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 932, 933,
 igr2= 766, 767, 766, 767,
 &end
#
#    0 AMB  25-3:2788     0 AMB  25-1:2788   5.50    (#   2788:25  Double Ambig)
 &rst
  ixpk= 2788, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 238, 288,
 igr2= 533, 534, 533, 534, 463, 464,
 &end
#
#    0 AMB  25-3:2789     0 AMB  25-1:2789   5.50    (#   2789:25  Double Ambig)
 &rst
  ixpk= 2789, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 257, 402,
 igr2= 533, 534, 533, 534, 463, 464,
 &end
#
#   17 VAL  HA           29 LYS  HE+         4.50    (#   2790:25  Preassigned    4.10, 5.27 A)
 &rst
  ixpk= 2790, nxpk= 25, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 463, 464,
 &end
#
#   25 ASN  HB-          29 LYS  HE+         5.50    (#   2792:25  Unique         3.29, 4.96 A)
 &rst
  ixpk= 2792, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 392, 393,
 igr2= 463, 464,
 &end
#
#    0 AMB  25-3:2793     0 AMB  25-1:2793   4.50    (#   2793:25  Double Ambig)
 &rst
  ixpk= 2793, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 454, 455, 454, 455, 454, 455,
 igr2= 533, 534, 533, 534, 463, 464,
 &end
#
#   50 LEU  QD-          49 GLN  HA          4.50    (#   2794:25  Preassigned    2.66, 5.19 A)
 &rst
  ixpk= 2794, nxpk= 25, iat=  -1, 780, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 804, 805, 806, 808, 809, 810,
 &end
#
#   50 LEU  QD+          49 GLN  HA          5.50    (#   2795:25  Preassigned    2.66, 5.19 A)
 &rst
  ixpk= 2795, nxpk= 25, iat=  -1, 780, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 804, 805, 806, 808, 809, 810,
 &end
#
#   70 VAL  QG+          49 GLN  HA          5.50    (#   2796:25  Unique         5.14, 6.74 A)
 &rst
  ixpk= 2796, nxpk= 25, iat=  -1, 780, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1122,1123,1124,1126,1127,1128,
 &end
#
#   44 ILE  HG1-         49 GLN  HA          4.50    (#   2797:25  Preassigned    2.23, 3.06 A)
 &rst
  ixpk= 2797, nxpk= 25, iat=  -1, 780, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 710, 711,
 &end
#
#    0 AMB  25-3:2798    49 GLN  HA          3.50    (#   2798:25  Single Ambig)
 &rst
  ixpk= 2798, nxpk= 25, iat=  -1, 780, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 763, 764, 763, 764, 802,
 &end
#
#   50 LEU  HA           49 GLN  HA          5.50    (#   2799:25  Preassigned    4.37, 4.38 A)
 &rst
  ixpk= 2799, nxpk= 25, iat= 797, 780, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 GLN  HN           49 GLN  HA          4.50    (#   2800:25  Preassigned    2.81, 2.87 A)
 &rst
  ixpk= 2800, nxpk= 25, iat= 778, 780, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   45 PHE  HN           49 GLN  HA          4.50    (#   2801:25  Unique         3.18, 3.29 A)
 &rst
  ixpk= 2801, nxpk= 25, iat= 719, 780, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   49 GLN  HN           49 GLN  HB+         3.50    (#   2803:25  Preassigned    2.07, 2.76 A)
 &rst
  ixpk= 2803, nxpk= 25, iat= 778,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 782, 783,
 &end
#
#   50 LEU  HN           49 GLN  HB+         4.50    (#   2804:25  Preassigned    2.79, 3.96 A)
 &rst
  ixpk= 2804, nxpk= 25, iat= 795,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 782, 783,
 &end
#
#   25 ASN  HN            0 AMB  25-1:2805   4.50    (#   2805:25  Single Ambig)
 &rst
  ixpk= 2805, nxpk= 25, iat= 388,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 377, 378, 377, 378,
 &end
#
#   49 GLN  HE2-         49 GLN  HB+         5.50    (#   2806:25  Preassigned    2.24, 3.79 A)
 &rst
  ixpk= 2806, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 790, 791,
 igr2= 782, 783,
 &end
#
#   22 THR  HB            0 AMB  25-1:2807   5.50    (#   2807:25  Single Ambig)
 &rst
  ixpk= 2807, nxpk= 25, iat= 344,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 377, 378, 377, 378,
 &end
#
#   49 GLN  HA           49 GLN  HB+         3.50    (#   2808:25  Preassigned    2.36, 2.80 A)
 &rst
  ixpk= 2808, nxpk= 25, iat= 780,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 782, 783,
 &end
#
#   24 GLU  HA            0 AMB  25-1:2809   3.50    (#   2809:25  Single Ambig)
 &rst
  ixpk= 2809, nxpk= 25, iat= 375,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 377, 378, 377, 378,
 &end
#
#    0 AMB  25-3:2810     0 AMB  25-1:2810   5.50    (#   2810:25  Double Ambig)
 &rst
  ixpk= 2810, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
 igr1= 425, 426, 425, 426, 428, 429, 444, 445, 446,
 igr2= 377, 378, 377, 378, 377, 378, 377, 378,
 &end
#
#    0 AMB  25-3:2811     0 AMB  25-1:2811   4.50    (#   2811:25  Double Ambig)
 &rst
  ixpk= 2811, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.69, r4=10.19,
 igr1= 763, 764, 763, 764, 422, 423, 422, 423, 799, 800,
      
 igr2= 782, 783, 782, 783, 377, 378, 377, 378, 782, 783,
      
 &end
#
#   22 THR  QG2           0 AMB  25-1:2812   5.50    (#   2812:25  Single Ambig)
 &rst
  ixpk= 2812, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 346, 347, 348,
 igr2= 377, 378, 377, 378,
 &end
#
#   44 ILE  HG1-         49 GLN  HB+         4.50    (#   2813:25  Preassigned    2.73, 4.60 A)
 &rst
  ixpk= 2813, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 710, 711,
 igr2= 782, 783,
 &end
#
#   44 ILE  QD1          49 GLN  HB+         4.50    (#   2814:25  Preassigned    3.81, 5.83 A)
 &rst
  ixpk= 2814, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 713, 714, 715,
 igr2= 782, 783,
 &end
#
#    0 AMB  25-3:2815     0 AMB  25-1:2815   2.80    (#   2815:25  Double Ambig)
 &rst
  ixpk= 2815, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 785, 786, 785, 786,
 igr2= 782, 783, 782, 783,
 &end
#
#   49 GLN  HN           49 GLN  HB-         3.50    (#   2816:25  Preassigned    2.07, 2.76 A)
 &rst
  ixpk= 2816, nxpk= 25, iat= 778,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 782, 783,
 &end
#
#   50 LEU  HN           49 GLN  HB-         4.50    (#   2817:25  Preassigned    2.79, 3.96 A)
 &rst
  ixpk= 2817, nxpk= 25, iat= 795,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 782, 783,
 &end
#
#   49 GLN  HA           49 GLN  HB-         4.50    (#   2818:25  Preassigned    2.36, 2.80 A)
 &rst
  ixpk= 2818, nxpk= 25, iat= 780,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 782, 783,
 &end
#
#    0 AMB  25-3:2819    49 GLN  HB-         3.50    (#   2819:25  Single Ambig)
 &rst
  ixpk= 2819, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 785, 786, 785, 786,
 igr2= 782, 783,
 &end
#
#   44 ILE  QD1          49 GLN  HB-         4.50    (#   2820:25  Preassigned    3.81, 5.83 A)
 &rst
  ixpk= 2820, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 713, 714, 715,
 igr2= 782, 783,
 &end
#
#   50 LEU  QD-           0 AMB  25-1:2821   5.50    (#   2821:25  Single Ambig)
 &rst
  ixpk= 2821, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 804, 805, 806, 808, 809, 810,
 igr2= 785, 786, 785, 786,
 &end
#
#    0 AMB  25-3:2822     0 AMB  25-1:2822   5.50    (#   2822:25  Double Ambig)
 &rst
  ixpk= 2822, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
 igr1= 804, 805, 806, 808, 809, 810, 804, 805, 806, 808,
       809, 810,
 igr2= 785, 786, 785, 786,
 &end
#
#    3 ILE  HG1-         16 GLU  HG-         5.50    (#   2823:25  Preassigned    6.61, 7.08 A)
 &rst
  ixpk= 2823, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  48,  49,
 igr2= 264, 265,
 &end
#
#   19 PRO  HD-          18 GLU  HG+         5.50    (#   2824:25  Unique         2.00, 4.97 A)
 &rst
  ixpk= 2824, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 304, 305,
 igr2= 295, 296,
 &end
#
#   19 PRO  HD+          18 GLU  HG+         4.50    (#   2825:25  Unique         2.00, 4.97 A)
 &rst
  ixpk= 2825, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 304, 305,
 igr2= 295, 296,
 &end
#
#    0 AMB  25-3:2827     0 AMB  25-1:2827   4.50    (#   2827:25  Double Ambig)
 &rst
  ixpk= 2827, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 790, 791, 790, 791,
 igr2= 785, 786, 785, 786,
 &end
#
#   43 LEU  HN            0 AMB  25-1:2828   4.50    (#   2828:25  Single Ambig)
 &rst
  ixpk= 2828, nxpk= 25, iat= 681,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 785, 786, 785, 786,
 &end
#
#   44 ILE  HN            0 AMB  25-1:2829   7.00    (#   2829:25  Single Ambig)
 &rst
  ixpk= 2829, nxpk= 25, iat= 700,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr2= 785, 786, 785, 786,
 &end
#
#    0 AMB  25-3:2830    50 LEU  HA          5.50    (#   2830:25  Single Ambig)
 &rst
  ixpk= 2830, nxpk= 25, iat=  -1, 797, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 719, 681,
 &end
#
#   50 LEU  HN           50 LEU  HA          4.50    (#   2831:25  Preassigned    2.86, 2.91 A)
 &rst
  ixpk= 2831, nxpk= 25, iat= 795, 797, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   52 ASP  HN           50 LEU  HA          7.00    (#   2832:25  Preassigned    6.34, 6.38 A)
 &rst
  ixpk= 2832, nxpk= 25, iat= 829, 797, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  25-3:2833    50 LEU  HA          5.50    (#   2833:25  Single Ambig)
 &rst
  ixpk= 2833, nxpk= 25, iat=  -1, 797, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 945, 936,
 &end
#
#   59 TYR  HE2          50 LEU  HA          4.50    (#   2834:25  Unique         2.49, 2.59 A)
 &rst
  ixpk= 2834, nxpk= 25, iat= 943, 797, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   49 GLN  HA           50 LEU  HA          4.50    (#   2835:25  Preassigned    4.37, 4.38 A)
 &rst
  ixpk= 2835, nxpk= 25, iat= 780, 797, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   51 GLU  HG+          50 LEU  HA          4.50    (#   2837:25  Preassigned    4.61, 5.34 A)
 &rst
  ixpk= 2837, nxpk= 25, iat=  -1, 797, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 821, 822,
 &end
#
#    0 AMB  25-3:2838    50 LEU  HA          4.50    (#   2838:25  Single Ambig)
 &rst
  ixpk= 2838, nxpk= 25, iat=  -1, 797, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 785, 786, 785, 786, 818, 819, 852, 853,
 &end
#
#    0 AMB  25-3:2839    50 LEU  HA          5.50    (#   2839:25  Single Ambig)
 &rst
  ixpk= 2839, nxpk= 25, iat=  -1, 797, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 818, 819, 766, 767, 766, 767, 760, 761,
 &end
#
#    0 AMB  25-3:2840    50 LEU  HA          4.50    (#   2840:25  Single Ambig)
 &rst
  ixpk= 2840, nxpk= 25, iat=  -1, 797, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 364, 365, 782, 783,
 &end
#
#   23 ILE  HG1-         50 LEU  HA          5.50    (#   2841:25  Preassigned    3.74, 4.43 A)
 &rst
  ixpk= 2841, nxpk= 25, iat=  -1, 797, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 364, 365,
 &end
#
#   50 LEU  HB-          50 LEU  HA          4.50    (#   2842:25  Preassigned    2.28, 2.65 A)
 &rst
  ixpk= 2842, nxpk= 25, iat=  -1, 797, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 799, 800,
 &end
#
#   23 ILE  QG2          50 LEU  HA          5.50    (#   2843:25  Preassigned    4.66, 5.73 A)
 &rst
  ixpk= 2843, nxpk= 25, iat=  -1, 797, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 360, 361, 362,
 &end
#
#   50 LEU  QD+          50 LEU  HA          4.50    (#   2844:25  Preassigned    2.04, 4.02 A)
 &rst
  ixpk= 2844, nxpk= 25, iat=  -1, 797, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 804, 805, 806, 808, 809, 810,
 &end
#
#   50 LEU  QD-          50 LEU  HB+         4.50    (#   2845:25  Preassigned    2.12, 3.28 A)
 &rst
  ixpk= 2845, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 804, 805, 806, 808, 809, 810,
 igr2= 799, 800,
 &end
#
#   50 LEU  QD+          50 LEU  HB+         3.50    (#   2846:25  Preassigned    2.12, 3.28 A)
 &rst
  ixpk= 2846, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 804, 805, 806, 808, 809, 810,
 igr2= 799, 800,
 &end
#
#    0 AMB  25-3:2847     0 AMB  25-1:2847   4.50    (#   2847:25  Double Ambig)
 &rst
  ixpk= 2847, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 360, 361, 362, 690, 691, 692, 694, 695, 696,
 igr2= 799, 800, 799, 800,
 &end
#
#   23 ILE  HG1-         50 LEU  HB+         4.50    (#   2848:25  Preassigned    1.78, 3.02 A)
 &rst
  ixpk= 2848, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 364, 365,
 igr2= 799, 800,
 &end
#
#   23 ILE  HG1+         50 LEU  HB+         5.50    (#   2849:25  Preassigned    1.78, 3.02 A)
 &rst
  ixpk= 2849, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 364, 365,
 igr2= 799, 800,
 &end
#
#   50 LEU  HA           50 LEU  HB+         4.50    (#   2850:25  Preassigned    2.28, 2.65 A)
 &rst
  ixpk= 2850, nxpk= 25, iat= 797,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 799, 800,
 &end
#
#   49 GLN  HA           50 LEU  HB+         5.50    (#   2851:25  Preassigned    4.57, 5.25 A)
 &rst
  ixpk= 2851, nxpk= 25, iat= 780,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 799, 800,
 &end
#
#   59 TYR  HE1          50 LEU  HB+         5.50    (#   2852:25  Preassigned    2.52, 3.43 A)
 &rst
  ixpk= 2852, nxpk= 25, iat= 938,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 799, 800,
 &end
#
#   51 GLU  HN           50 LEU  HB+         5.50    (#   2853:25  Preassigned    2.29, 2.81 A)
 &rst
  ixpk= 2853, nxpk= 25, iat= 814,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 799, 800,
 &end
#
#   50 LEU  HN           50 LEU  HB+         4.50    (#   2854:25  Preassigned    2.54, 3.22 A)
 &rst
  ixpk= 2854, nxpk= 25, iat= 795,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 799, 800,
 &end
#
#    0 AMB  25-3:2855     0 AMB  25-1:2855   5.50    (#   2855:25  Double Ambig)
 &rst
  ixpk= 2855, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 681, 719,
 igr2= 799, 800, 799, 800,
 &end
#
#   50 LEU  HN           50 LEU  HB-         4.50    (#   2856:25  Preassigned    2.54, 3.22 A)
 &rst
  ixpk= 2856, nxpk= 25, iat= 795,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 799, 800,
 &end
#
#   51 GLU  HN           50 LEU  HB-         4.50    (#   2857:25  Preassigned    2.29, 2.81 A)
 &rst
  ixpk= 2857, nxpk= 25, iat= 814,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 799, 800,
 &end
#
#   59 TYR  HE1          50 LEU  HB-         5.50    (#   2858:25  Preassigned    2.52, 3.43 A)
 &rst
  ixpk= 2858, nxpk= 25, iat= 938,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 799, 800,
 &end
#
#   23 ILE  HG1+         50 LEU  HB-         5.50    (#   2859:25  Preassigned    1.78, 3.02 A)
 &rst
  ixpk= 2859, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 364, 365,
 igr2= 799, 800,
 &end
#
#   23 ILE  HG1-         50 LEU  HB-         4.50    (#   2860:25  Preassigned    1.78, 3.02 A)
 &rst
  ixpk= 2860, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 364, 365,
 igr2= 799, 800,
 &end
#
#   50 LEU  HB-          50 LEU  HG          5.50    (#   2861:25  Preassigned    2.39, 2.73 A)
 &rst
  ixpk= 2861, nxpk= 25, iat=  -1, 802, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 799, 800,
 &end
#
#   44 ILE  HA           50 LEU  HG          5.50    (#   2862:25  Preassigned    2.76, 3.33 A)
 &rst
  ixpk= 2862, nxpk= 25, iat= 702, 802, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   44 ILE  HN           50 LEU  QD-         5.50    (#   2863:25  Preassigned    3.08, 5.37 A)
 &rst
  ixpk= 2863, nxpk= 25, iat= 700,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 804, 805, 806, 808, 809, 810,
 &end
#
#   68 HIS  HN           50 LEU  QD-         7.00    (#   2864:25  Preassigned    4.09, 5.77 A)
 &rst
  ixpk= 2864, nxpk= 25, iat=1080,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2= 804, 805, 806, 808, 809, 810,
 &end
#
#   45 PHE  HN           50 LEU  QD-         3.50    (#   2865:25  Preassigned    2.42, 4.47 A)
 &rst
  ixpk= 2865, nxpk= 25, iat= 719,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 804, 805, 806, 808, 809, 810,
 &end
#
#   49 GLN  HN           50 LEU  QD-         5.50    (#   2866:25  Preassigned    4.40, 6.67 A)
 &rst
  ixpk= 2866, nxpk= 25, iat= 778,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 804, 805, 806, 808, 809, 810,
 &end
#
#   50 LEU  HN           50 LEU  QD-         3.50    (#   2867:25  Preassigned    2.18, 4.01 A)
 &rst
  ixpk= 2867, nxpk= 25, iat= 795,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 804, 805, 806, 808, 809, 810,
 &end
#
#   51 GLU  HN           50 LEU  QD-         4.50    (#   2868:25  Preassigned    4.13, 5.27 A)
 &rst
  ixpk= 2868, nxpk= 25, iat= 814,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 804, 805, 806, 808, 809, 810,
 &end
#
#   48 LYS  HN           50 LEU  QD-         5.50    (#   2869:25  Preassigned    4.67, 6.82 A)
 &rst
  ixpk= 2869, nxpk= 25, iat= 756,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 804, 805, 806, 808, 809, 810,
 &end
#
#    0 AMB  25-3:2870    50 LEU  QD-         4.50    (#   2870:25  Single Ambig)
 &rst
  ixpk= 2870, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 735, 727,
 igr2= 804, 805, 806, 808, 809, 810,
 &end
#
#    0 AMB  25-3:2871    50 LEU  QD-         3.50    (#   2871:25  Single Ambig)
 &rst
  ixpk= 2871, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 936, 945,
 igr2= 804, 805, 806, 808, 809, 810,
 &end
#
#    0 AMB  25-3:2872    50 LEU  QD-         4.50    (#   2872:25  Single Ambig)
 &rst
  ixpk= 2872, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 943, 938,
 igr2= 804, 805, 806, 808, 809, 810,
 &end
#
#   45 PHE  HA           50 LEU  QD-         4.50    (#   2873:25  Preassigned    3.67, 5.27 A)
 &rst
  ixpk= 2873, nxpk= 25, iat= 721,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 804, 805, 806, 808, 809, 810,
 &end
#
#   44 ILE  HA           50 LEU  QD-         4.50    (#   2874:25  Preassigned    2.25, 4.67 A)
 &rst
  ixpk= 2874, nxpk= 25, iat= 702,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 804, 805, 806, 808, 809, 810,
 &end
#
#   49 GLN  HA           50 LEU  QD-         4.50    (#   2875:25  Unique         2.66, 5.19 A)
 &rst
  ixpk= 2875, nxpk= 25, iat= 780,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 804, 805, 806, 808, 809, 810,
 &end
#
#   50 LEU  HA           50 LEU  QD-         3.50    (#   2876:25  Preassigned    2.04, 4.02 A)
 &rst
  ixpk= 2876, nxpk= 25, iat= 797,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 804, 805, 806, 808, 809, 810,
 &end
#
#   59 TYR  HB-          50 LEU  QD-         4.50    (#   2877:25  Preassigned    2.69, 4.53 A)
 &rst
  ixpk= 2877, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 932, 933,
 igr2= 804, 805, 806, 808, 809, 810,
 &end
#
#   45 PHE  HB+          50 LEU  QD-         3.50    (#   2878:25  Preassigned    1.91, 3.48 A)
 &rst
  ixpk= 2878, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 723, 724,
 igr2= 804, 805, 806, 808, 809, 810,
 &end
#
#   45 PHE  HB-          50 LEU  QD-         3.50    (#   2879:25  Preassigned    1.91, 3.48 A)
 &rst
  ixpk= 2879, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 723, 724,
 igr2= 804, 805, 806, 808, 809, 810,
 &end
#
#   59 TYR  HB+          50 LEU  QD-         4.50    (#   2880:25  Preassigned    2.69, 4.53 A)
 &rst
  ixpk= 2880, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 932, 933,
 igr2= 804, 805, 806, 808, 809, 810,
 &end
#
#    0 AMB  25-3:2881    50 LEU  QD-         5.50    (#   2881:25  Single Ambig)
 &rst
  ixpk= 2881, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 785, 786, 785, 786, 852, 853,
 igr2= 804, 805, 806, 808, 809, 810,
 &end
#
#    0 AMB  25-3:2882    50 LEU  QD-         3.50    (#   2882:25  Single Ambig)
 &rst
  ixpk= 2882, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 766, 767, 766, 767, 760, 761, 760, 761,
 igr2= 804, 805, 806, 808, 809, 810,
 &end
#
#    0 AMB  25-3:2883    50 LEU  QD-         2.80    (#   2883:25  Single Ambig)
 &rst
  ixpk= 2883, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 799, 800, 802, 763, 764, 763, 764,
 igr2= 804, 805, 806, 808, 809, 810,
 &end
#
#   50 LEU  HB-          50 LEU  QD-         3.50    (#   2884:25  Preassigned    2.12, 3.28 A)
 &rst
  ixpk= 2884, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 799, 800,
 igr2= 804, 805, 806, 808, 809, 810,
 &end
#
#    0 AMB  25-3:2885    50 LEU  QD-         4.50    (#   2885:25  Single Ambig)
 &rst
  ixpk= 2885, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.75, r4= 9.25,
 igr1= 360, 361, 362, 895, 896, 897, 899, 900, 901,
 igr2= 804, 805, 806, 808, 809, 810,
 &end
#
#   61 ILE  QD1          67 LEU  QD+         2.80    (#   2887:25  Unique         2.11, 4.07 A)
 &rst
  ixpk= 2887, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 976, 977, 978,
 igr2=1070,1071,1072,1074,1075,1076,
 &end
#
#    0 AMB  25-3:2888     0 AMB  25-1:2888   3.50    (#   2888:25  Double Ambig)
 &rst
  ixpk= 2888, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 360, 361, 362, 895, 896, 897, 899, 900, 901,
 igr2= 804, 805, 806, 808, 809, 810, 804, 805, 806, 808,
       809, 810,
 &end
#
#   50 LEU  HB-          50 LEU  QD+         3.50    (#   2889:25  Preassigned    2.12, 3.28 A)
 &rst
  ixpk= 2889, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 799, 800,
 igr2= 804, 805, 806, 808, 809, 810,
 &end
#
#    0 AMB  25-3:2890     0 AMB  25-1:2890   2.80    (#   2890:25  Double Ambig)
 &rst
  ixpk= 2890, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr1= 799, 800, 802, 763, 764, 763, 764,
 igr2= 804, 805, 806, 808, 809, 810, 804, 805, 806, 808,
       809, 810, 804, 805, 806, 808, 809, 810, 804, 805,
       806, 808, 809, 810,
 &end
#
#   67 LEU  HG           50 LEU  QD+         4.50    (#   2891:25  Unique         2.25, 4.26 A)
 &rst
  ixpk= 2891, nxpk= 25, iat=1068,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 804, 805, 806, 808, 809, 810,
 &end
#
#    0 AMB  25-3:2892     0 AMB  25-1:2892   4.50    (#   2892:25  Double Ambig)
 &rst
  ixpk= 2892, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.64, r4=12.14,
 igr1= 364, 365, 766, 767, 766, 767, 760, 761, 760, 761,
      
 igr2= 804, 805, 806, 808, 809, 810, 804, 805, 806, 808,
       809, 810, 804, 805, 806, 808, 809, 810, 804, 805,
       806, 808, 809, 810, 804, 805, 806, 808, 809, 810,
      
 &end
#
#   59 TYR  HB+          50 LEU  QD+         5.50    (#   2893:25  Preassigned    2.69, 4.53 A)
 &rst
  ixpk= 2893, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 932, 933,
 igr2= 804, 805, 806, 808, 809, 810,
 &end
#
#   45 PHE  HB-          50 LEU  QD+         4.50    (#   2894:25  Preassigned    1.91, 3.48 A)
 &rst
  ixpk= 2894, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 723, 724,
 igr2= 804, 805, 806, 808, 809, 810,
 &end
#
#   45 PHE  HB+          50 LEU  QD+         3.50    (#   2895:25  Preassigned    1.91, 3.48 A)
 &rst
  ixpk= 2895, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 723, 724,
 igr2= 804, 805, 806, 808, 809, 810,
 &end
#
#   59 TYR  HB-          50 LEU  QD+         7.00    (#   2896:25  Preassigned    2.69, 4.53 A)
 &rst
  ixpk= 2896, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1= 932, 933,
 igr2= 804, 805, 806, 808, 809, 810,
 &end
#
#   23 ILE  HA           50 LEU  QD+         7.00    (#   2897:25  Preassigned    4.59, 6.61 A)
 &rst
  ixpk= 2897, nxpk= 25, iat= 356,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2= 804, 805, 806, 808, 809, 810,
 &end
#
#   50 LEU  HA           50 LEU  QD+         4.50    (#   2898:25  Preassigned    2.04, 4.02 A)
 &rst
  ixpk= 2898, nxpk= 25, iat= 797,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 804, 805, 806, 808, 809, 810,
 &end
#
#   49 GLN  HA           50 LEU  QD+         4.50    (#   2899:25  Preassigned    2.66, 5.19 A)
 &rst
  ixpk= 2899, nxpk= 25, iat= 780,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 804, 805, 806, 808, 809, 810,
 &end
#
#   44 ILE  HA           50 LEU  QD+         4.50    (#   2900:25  Preassigned    2.25, 4.67 A)
 &rst
  ixpk= 2900, nxpk= 25, iat= 702,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 804, 805, 806, 808, 809, 810,
 &end
#
#   45 PHE  HA           50 LEU  QD+         5.50    (#   2901:25  Preassigned    3.67, 5.27 A)
 &rst
  ixpk= 2901, nxpk= 25, iat= 721,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 804, 805, 806, 808, 809, 810,
 &end
#
#   43 LEU  HA           50 LEU  QD+         5.50    (#   2902:25  Preassigned    3.86, 5.96 A)
 &rst
  ixpk= 2902, nxpk= 25, iat= 683,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 804, 805, 806, 808, 809, 810,
 &end
#
#    0 AMB  25-3:2903     0 AMB  25-1:2903   5.50    (#   2903:25  Double Ambig)
 &rst
  ixpk= 2903, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 943, 938,
 igr2= 804, 805, 806, 808, 809, 810, 804, 805, 806, 808,
       809, 810,
 &end
#
#    0 AMB  25-3:2904     0 AMB  25-1:2904   4.50    (#   2904:25  Double Ambig)
 &rst
  ixpk= 2904, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 936, 945,
 igr2= 804, 805, 806, 808, 809, 810, 804, 805, 806, 808,
       809, 810,
 &end
#
#    0 AMB  25-3:2905     0 AMB  25-1:2905   4.50    (#   2905:25  Double Ambig)
 &rst
  ixpk= 2905, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 735, 727,
 igr2= 804, 805, 806, 808, 809, 810, 804, 805, 806, 808,
       809, 810,
 &end
#
#   51 GLU  HN           50 LEU  QD+         5.50    (#   2906:25  Preassigned    4.13, 5.27 A)
 &rst
  ixpk= 2906, nxpk= 25, iat= 814,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 804, 805, 806, 808, 809, 810,
 &end
#
#   50 LEU  HN           50 LEU  QD+         4.50    (#   2907:25  Preassigned    2.18, 4.01 A)
 &rst
  ixpk= 2907, nxpk= 25, iat= 795,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 804, 805, 806, 808, 809, 810,
 &end
#
#   45 PHE  HN           50 LEU  QD+         4.50    (#   2908:25  Preassigned    2.42, 4.47 A)
 &rst
  ixpk= 2908, nxpk= 25, iat= 719,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 804, 805, 806, 808, 809, 810,
 &end
#
#   68 HIS  HN           50 LEU  QD+         7.00    (#   2909:25  Preassigned    4.09, 5.77 A)
 &rst
  ixpk= 2909, nxpk= 25, iat=1080,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2= 804, 805, 806, 808, 809, 810,
 &end
#
#   44 ILE  HN           50 LEU  QD+         5.50    (#   2910:25  Preassigned    3.08, 5.37 A)
 &rst
  ixpk= 2910, nxpk= 25, iat= 700,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 804, 805, 806, 808, 809, 810,
 &end
#
#   51 GLU  HN           51 GLU  HA          4.50    (#   2911:25  Preassigned    2.93, 2.94 A)
 &rst
  ixpk= 2911, nxpk= 25, iat= 814, 816, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   50 LEU  HA           51 GLU  HA          5.50    (#   2912:25  Preassigned    4.45, 4.47 A)
 &rst
  ixpk= 2912, nxpk= 25, iat= 797, 816, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:2913    51 GLU  HA          4.50    (#   2913:25  Single Ambig)
 &rst
  ixpk= 2913, nxpk= 25, iat=  -1, 816, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 358, 431, 432,
 &end
#
#   23 ILE  QG2          51 GLU  HA          5.50    (#   2914:25  Preassigned    3.61, 4.58 A)
 &rst
  ixpk= 2914, nxpk= 25, iat=  -1, 816, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 360, 361, 362,
 &end
#
#   21 ASP  HN           19 PRO  HB-         5.50    (#   2915:25  Preassigned    5.17, 5.43 A)
 &rst
  ixpk= 2915, nxpk= 25, iat= 328,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 310, 311,
 &end
#
#   19 PRO  HD+          19 PRO  HB-         4.50    (#   2916:25  Preassigned    2.98, 3.70 A)
 &rst
  ixpk= 2916, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 304, 305,
 igr2= 310, 311,
 &end
#
#   56 LEU  HB-          19 PRO  HB-         5.50    (#   2917:25  Preassigned    4.02, 4.40 A)
 &rst
  ixpk= 2917, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 890, 891,
 igr2= 310, 311,
 &end
#
#   52 ASP  HN           51 GLU  HB+         4.50    (#   2918:25  Preassigned    2.96, 3.68 A)
 &rst
  ixpk= 2918, nxpk= 25, iat= 829,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 818, 819,
 &end
#
#   51 GLU  HN           51 GLU  HB+         3.50    (#   2919:25  Preassigned    2.90, 3.41 A)
 &rst
  ixpk= 2919, nxpk= 25, iat= 814,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 818, 819,
 &end
#
#   51 GLU  HA           51 GLU  HB+         3.50    (#   2920:25  Preassigned    2.31, 2.46 A)
 &rst
  ixpk= 2920, nxpk= 25, iat= 816,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 818, 819,
 &end
#
#    0 AMB  25-3:2921     0 AMB  25-1:2921   5.50    (#   2921:25  Double Ambig)
 &rst
  ixpk= 2921, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 797, 843, 844,
 igr2= 818, 819, 818, 819,
 &end
#
#   53 GLY  HA+          51 GLU  HB+         7.00    (#   2922:25  Preassigned    4.49, 5.62 A)
 &rst
  ixpk= 2922, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 843, 844,
 igr2= 818, 819,
 &end
#
#   54 ARG  HD+          51 GLU  HB+         5.50    (#   2923:25  Preassigned    5.51, 6.59 A)
 &rst
  ixpk= 2923, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 858, 859,
 igr2= 818, 819,
 &end
#
#   54 ARG  HG-          51 GLU  HB+         4.50    (#   2925:25  Preassigned    3.47, 4.47 A)
 &rst
  ixpk= 2925, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 855, 856,
 igr2= 818, 819,
 &end
#
#   51 GLU  HN           51 GLU  HG+         4.50    (#   2926:25  Preassigned    2.54, 3.26 A)
 &rst
  ixpk= 2926, nxpk= 25, iat= 814,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 821, 822,
 &end
#
#   52 ASP  HN           51 GLU  HG+         4.50    (#   2927:25  Preassigned    3.67, 4.08 A)
 &rst
  ixpk= 2927, nxpk= 25, iat= 829,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 821, 822,
 &end
#
#    0 AMB  25-3:2928     0 AMB  25-1:2928   5.50    (#   2928:25  Double Ambig)
 &rst
  ixpk= 2928, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 938, 943,
 igr2= 821, 822, 821, 822,
 &end
#
#   22 THR  HB           51 GLU  HG+         7.00    (#   2929:25  Preassigned    6.16, 6.50 A)
 &rst
  ixpk= 2929, nxpk= 25, iat= 344,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 821, 822,
 &end
#
#   53 GLY  HA-          51 GLU  HG+         5.50    (#   2930:25  Preassigned    2.52, 3.83 A)
 &rst
  ixpk= 2930, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 843, 844,
 igr2= 821, 822,
 &end
#
#   54 ARG  HD-          51 GLU  HG+         5.50    (#   2931:25  Preassigned    3.44, 4.97 A)
 &rst
  ixpk= 2931, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 858, 859,
 igr2= 821, 822,
 &end
#
#   54 ARG  HG+          51 GLU  HG+         4.50    (#   2932:25  Preassigned    1.80, 2.86 A)
 &rst
  ixpk= 2932, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 855, 856,
 igr2= 821, 822,
 &end
#
#   54 ARG  HG-          51 GLU  HG+         5.50    (#   2933:25  Preassigned    1.80, 2.86 A)
 &rst
  ixpk= 2933, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 855, 856,
 igr2= 821, 822,
 &end
#
#   52 ASP  HN           52 ASP  HB+         3.50    (#   2934:25  Preassigned    2.09, 2.90 A)
 &rst
  ixpk= 2934, nxpk= 25, iat= 829,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 833, 834,
 &end
#
#   51 GLU  HA           52 ASP  HB+         4.50    (#   2935:25  Preassigned    4.24, 5.02 A)
 &rst
  ixpk= 2935, nxpk= 25, iat= 816,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 833, 834,
 &end
#
#   52 ASP  HA           52 ASP  HB+         4.50    (#   2936:25  Preassigned    2.25, 2.50 A)
 &rst
  ixpk= 2936, nxpk= 25, iat= 831,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 833, 834,
 &end
#
#   53 GLY  HA-          52 ASP  HB+         5.50    (#   2937:25  Preassigned    4.13, 5.47 A)
 &rst
  ixpk= 2937, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 843, 844,
 igr2= 833, 834,
 &end
#
#    0 AMB  25-3:2938     0 AMB  25-1:2938   4.50    (#   2938:25  Double Ambig)
 &rst
  ixpk= 2938, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 377, 378, 377, 378,
 igr2= 833, 834, 833, 834,
 &end
#
#   23 ILE  QG2          52 ASP  HB+         5.50    (#   2939:25  Preassigned    3.87, 5.23 A)
 &rst
  ixpk= 2939, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 360, 361, 362,
 igr2= 833, 834,
 &end
#
#   54 ARG  HN           53 GLY  HA-         4.50    (#   2941:25  Preassigned    3.04, 3.25 A)
 &rst
  ixpk= 2941, nxpk= 25, iat= 848,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 843, 844,
 &end
#
#   22 THR  HB           53 GLY  HA-         5.50    (#   2942:25  Preassigned    3.95, 4.74 A)
 &rst
  ixpk= 2942, nxpk= 25, iat= 344,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 843, 844,
 &end
#
#   52 ASP  HA           53 GLY  HA-         5.50    (#   2943:25  Preassigned    4.71, 5.00 A)
 &rst
  ixpk= 2943, nxpk= 25, iat= 831,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 843, 844,
 &end
#
#    0 AMB  25-3:2944    53 GLY  HA-         5.50    (#   2944:25  Single Ambig)
 &rst
  ixpk= 2944, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 833, 834, 358,
 igr2= 843, 844,
 &end
#
#   22 THR  QG2          53 GLY  HA-         5.50    (#   2945:25  Preassigned    3.91, 5.29 A)
 &rst
  ixpk= 2945, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 346, 347, 348,
 igr2= 843, 844,
 &end
#
#   55 THR  QG2          53 GLY  HA+         5.50    (#   2948:25  Preassigned    5.85, 7.29 A)
 &rst
  ixpk= 2948, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 878, 879, 880,
 igr2= 843, 844,
 &end
#
#    0 AMB  25-3:2949     0 AMB  25-1:2949   5.50    (#   2949:25  Double Ambig)
 &rst
  ixpk= 2949, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30,
 igr1=1179,1180,1158,1159,1158,1159, 855, 856,
 igr2=1220,1221, 843, 844,
 &end
#
#    0 AMB  25-3:2950     0 AMB  25-1:2950   5.50    (#   2950:25  Double Ambig)
 &rst
  ixpk= 2950, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=1198,1199, 855, 856,1155,1156,
 igr2=1220,1221, 843, 844,
 &end
#
#   51 GLU  HG-          53 GLY  HA+         7.00    (#   2952:25  Unique         2.52, 3.83 A)
 &rst
  ixpk= 2952, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 821, 822,
 igr2= 843, 844,
 &end
#
#   22 THR  HB           53 GLY  HA+         4.50    (#   2953:25  Preassigned    3.95, 4.74 A)
 &rst
  ixpk= 2953, nxpk= 25, iat= 344,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 843, 844,
 &end
#
#   54 ARG  HN           54 ARG  HA          3.50    (#   2956:25  Preassigned    2.91, 2.91 A)
 &rst
  ixpk= 2956, nxpk= 25, iat= 848, 850, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   59 TYR  HE1          54 ARG  HA          4.50    (#   2957:25  Preassigned    4.35, 4.37 A)
 &rst
  ixpk= 2957, nxpk= 25, iat= 938, 850, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   22 THR  HA           54 ARG  HA          5.50    (#   2958:25  Preassigned    4.78, 4.81 A)
 &rst
  ixpk= 2958, nxpk= 25, iat= 342, 850, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   55 THR  HB           54 ARG  HA          5.50    (#   2959:25  Preassigned    5.70, 5.71 A)
 &rst
  ixpk= 2959, nxpk= 25, iat= 876, 850, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   54 ARG  HD+          54 ARG  HA          4.50    (#   2960:25  Preassigned    2.00, 3.36 A)
 &rst
  ixpk= 2960, nxpk= 25, iat=  -1, 850, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 858, 859,
 &end
#
#   22 THR  QG2          54 ARG  HA          5.50    (#   2961:25  Preassigned    3.73, 4.85 A)
 &rst
  ixpk= 2961, nxpk= 25, iat=  -1, 850, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 346, 347, 348,
 &end
#
#   55 THR  QG2          54 ARG  HA          4.50    (#   2962:25  Preassigned    3.73, 4.83 A)
 &rst
  ixpk= 2962, nxpk= 25, iat=  -1, 850, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 878, 879, 880,
 &end
#
#   55 THR  HN           54 ARG  HG+         4.50    (#   2963:25  Preassigned    4.13, 4.48 A)
 &rst
  ixpk= 2963, nxpk= 25, iat= 872,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 855, 856,
 &end
#
#   51 GLU  HN           54 ARG  HG+         5.50    (#   2964:25  Preassigned    3.19, 3.93 A)
 &rst
  ixpk= 2964, nxpk= 25, iat= 814,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 855, 856,
 &end
#
#   54 ARG  HN           54 ARG  HG+         4.50    (#   2965:25  Preassigned    2.96, 3.27 A)
 &rst
  ixpk= 2965, nxpk= 25, iat= 848,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 855, 856,
 &end
#
#    0 AMB  25-3:2966     0 AMB  25-1:2966   5.50    (#   2966:25  Double Ambig)
 &rst
  ixpk= 2966, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 936, 945, 928,
 igr2= 855, 856, 855, 856, 855, 856,
 &end
#
#   59 TYR  HE1          54 ARG  HG+         4.50    (#   2967:25  Preassigned    3.66, 4.11 A)
 &rst
  ixpk= 2967, nxpk= 25, iat= 938,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 855, 856,
 &end
#
#   22 THR  HB           54 ARG  HG+         7.00    (#   2968:25  Preassigned    7.02, 7.47 A)
 &rst
  ixpk= 2968, nxpk= 25, iat= 344,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 855, 856,
 &end
#
#   54 ARG  HA           54 ARG  HG+         4.50    (#   2969:25  Preassigned    2.37, 3.07 A)
 &rst
  ixpk= 2969, nxpk= 25, iat= 850,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 855, 856,
 &end
#
#   51 GLU  HA           54 ARG  HG+         5.50    (#   2970:25  Preassigned    5.20, 5.72 A)
 &rst
  ixpk= 2970, nxpk= 25, iat= 816,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 855, 856,
 &end
#
#   50 LEU  HA           54 ARG  HG+         5.50    (#   2971:25  Unique         4.37, 5.25 A)
 &rst
  ixpk= 2971, nxpk= 25, iat= 797,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 855, 856,
 &end
#
#   54 ARG  HD-          54 ARG  HG+         3.50    (#   2972:25  Preassigned    2.26, 2.71 A)
 &rst
  ixpk= 2972, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 858, 859,
 igr2= 855, 856,
 &end
#
#   54 ARG  HB+          54 ARG  HG+         3.50    (#   2973:25  Unique         2.21, 2.65 A)
 &rst
  ixpk= 2973, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 852, 853,
 igr2= 855, 856,
 &end
#
#   54 ARG  HB-          54 ARG  HG+         3.50    (#   2974:25  Preassigned    2.21, 2.65 A)
 &rst
  ixpk= 2974, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 852, 853,
 igr2= 855, 856,
 &end
#
#   23 ILE  HG1-         54 ARG  HG+         5.50    (#   2975:25  Preassigned    4.54, 5.19 A)
 &rst
  ixpk= 2975, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 364, 365,
 igr2= 855, 856,
 &end
#
#   55 THR  QG2          54 ARG  HG+         5.50    (#   2976:25  Unique         6.16, 7.69 A)
 &rst
  ixpk= 2976, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 878, 879, 880,
 igr2= 855, 856,
 &end
#
#    0 AMB  25-3:2978     0 AMB  25-1:2978   3.50    (#   2978:25  Double Ambig)
 &rst
  ixpk= 2978, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1=1153,1177,
 igr2=1158,1159,1158,1159,1182,
 &end
#
#    0 AMB  25-3:2979    38 PRO  HG-         3.50    (#   2979:25  Single Ambig)
 &rst
  ixpk= 2979, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 442, 607,
 igr2= 601, 602,
 &end
#
#   41 GLN  HE2+         38 PRO  HG-         5.50    (#   2980:25  Preassigned    5.46, 6.17 A)
 &rst
  ixpk= 2980, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 652, 653,
 igr2= 601, 602,
 &end
#
#   54 ARG  HN           54 ARG  HG-         4.50    (#   2981:25  Preassigned    2.96, 3.27 A)
 &rst
  ixpk= 2981, nxpk= 25, iat= 848,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 855, 856,
 &end
#
#    0 AMB  25-3:2982     0 AMB  25-1:2982   5.50    (#   2982:25  Double Ambig)
 &rst
  ixpk= 2982, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
 igr1= 657, 829,
 igr2=1158,1159,1158,1159,1182,1158,1159,
 &end
#
#   42 ARG  HN           71 LEU  HG          7.00    (#   2983:25  Unique         4.48, 4.71 A)
 &rst
  ixpk= 2983, nxpk= 25, iat= 657,1139, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   55 THR  HN           54 ARG  HD-         5.50    (#   2986:25  Preassigned    3.09, 3.79 A)
 &rst
  ixpk= 2986, nxpk= 25, iat= 872,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 858, 859,
 &end
#
#   55 THR  HN           54 ARG  HD+         5.50    (#   2987:25  Preassigned    3.09, 3.79 A)
 &rst
  ixpk= 2987, nxpk= 25, iat= 872,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 858, 859,
 &end
#
#   51 GLU  HN           54 ARG  HD+         5.50    (#   2988:25  Preassigned    4.88, 5.45 A)
 &rst
  ixpk= 2988, nxpk= 25, iat= 814,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 858, 859,
 &end
#
#   51 GLU  HN           54 ARG  HD-         5.50    (#   2989:25  Preassigned    4.88, 5.45 A)
 &rst
  ixpk= 2989, nxpk= 25, iat= 814,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 858, 859,
 &end
#
#   54 ARG  HN           54 ARG  HD-         5.50    (#   2990:25  Preassigned    3.19, 4.91 A)
 &rst
  ixpk= 2990, nxpk= 25, iat= 848,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 858, 859,
 &end
#
#    0 AMB  25-3:2991     0 AMB  25-1:2991   5.50    (#   2991:25  Double Ambig)
 &rst
  ixpk= 2991, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 936, 945, 928,
 igr2= 858, 859, 858, 859, 858, 859,
 &end
#
#    0 AMB  25-3:2992    54 ARG  HD-         5.50    (#   2992:25  Single Ambig)
 &rst
  ixpk= 2992, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 938, 943,
 igr2= 858, 859,
 &end
#
#    0 AMB  25-3:2993     0 AMB  25-1:2993   5.50    (#   2993:25  Double Ambig)
 &rst
  ixpk= 2993, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 938, 943,
 igr2= 858, 859, 858, 859,
 &end
#
#   54 ARG  HA           54 ARG  HD-         4.50    (#   2994:25  Preassigned    2.00, 3.36 A)
 &rst
  ixpk= 2994, nxpk= 25, iat= 850,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 858, 859,
 &end
#
#   54 ARG  HA           54 ARG  HD+         4.50    (#   2995:25  Preassigned    2.00, 3.36 A)
 &rst
  ixpk= 2995, nxpk= 25, iat= 850,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 858, 859,
 &end
#
#   51 GLU  HG+          54 ARG  HD+         5.50    (#   2997:25  Preassigned    3.44, 4.97 A)
 &rst
  ixpk= 2997, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 821, 822,
 igr2= 858, 859,
 &end
#
#   51 GLU  HG+          54 ARG  HD-         5.50    (#   2998:25  Preassigned    3.44, 4.97 A)
 &rst
  ixpk= 2998, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 821, 822,
 igr2= 858, 859,
 &end
#
#   55 THR  QG2          55 THR  HA          3.50    (#   2999:25  Preassigned    2.42, 2.96 A)
 &rst
  ixpk= 2999, nxpk= 25, iat=  -1, 874, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 878, 879, 880,
 &end
#
#   55 THR  HB           55 THR  HA          3.50    (#   3000:25  Preassigned    2.55, 2.57 A)
 &rst
  ixpk= 3000, nxpk= 25, iat= 876, 874, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:3001    55 THR  HA          4.50    (#   3001:25  Single Ambig)
 &rst
  ixpk= 3001, nxpk= 25, iat=  -1, 874, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 340, 916,
 &end
#
#   56 LEU  HN           55 THR  HA          3.50    (#   3002:25  Preassigned    2.36, 2.37 A)
 &rst
  ixpk= 3002, nxpk= 25, iat= 886, 874, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   55 THR  HN           55 THR  HB          5.50    (#   3003:25  Preassigned    3.72, 3.74 A)
 &rst
  ixpk= 3003, nxpk= 25, iat= 872, 876, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   57 SER  HN           55 THR  HB          4.50    (#   3004:25  Preassigned    2.94, 2.96 A)
 &rst
  ixpk= 3004, nxpk= 25, iat= 905, 876, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   21 ASP  HN           55 THR  HB          5.50    (#   3005:25  Preassigned    3.92, 4.00 A)
 &rst
  ixpk= 3005, nxpk= 25, iat= 328, 876, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   58 ASP  HN           55 THR  HB          5.50    (#   3006:25  Preassigned    3.35, 3.38 A)
 &rst
  ixpk= 3006, nxpk= 25, iat= 916, 876, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   22 THR  HA           55 THR  HB          4.50    (#   3007:25  Preassigned    3.61, 3.67 A)
 &rst
  ixpk= 3007, nxpk= 25, iat= 342, 876, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:3008    55 THR  HB          5.50    (#   3008:25  Single Ambig)
 &rst
  ixpk= 3008, nxpk= 25, iat=  -1, 876, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 330, 850,
 &end
#
#   20 SER  HA           55 THR  HB          4.50    (#   3009:25  Preassigned    2.95, 2.98 A)
 &rst
  ixpk= 3009, nxpk= 25, iat= 319, 876, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   19 PRO  HA           55 THR  HB          5.50    (#   3010:25  Preassigned    5.15, 5.27 A)
 &rst
  ixpk= 3010, nxpk= 25, iat= 313, 876, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   57 SER  HA           55 THR  HB          5.50    (#   3011:25  Preassigned    5.53, 5.55 A)
 &rst
  ixpk= 3011, nxpk= 25, iat= 907, 876, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:3012    55 THR  HB          4.50    (#   3012:25  Single Ambig)
 &rst
  ixpk= 3012, nxpk= 25, iat=  -1, 876, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 909, 910, 321, 322,
 &end
#
#    0 AMB  25-3:3014    55 THR  HB          5.50    (#   3014:25  Single Ambig)
 &rst
  ixpk= 3014, nxpk= 25, iat=  -1, 876, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 852, 853, 307, 308,
 &end
#
#   56 LEU  HG           55 THR  HB          4.50    (#   3015:25  Preassigned    4.43, 4.48 A)
 &rst
  ixpk= 3015, nxpk= 25, iat= 893, 876, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   22 THR  QG2          55 THR  HB          4.50    (#   3016:25  Preassigned    4.54, 5.22 A)
 &rst
  ixpk= 3016, nxpk= 25, iat=  -1, 876, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 346, 347, 348,
 &end
#
#    0 AMB  25-3:3017    55 THR  HB          5.50    (#   3017:25  Single Ambig)
 &rst
  ixpk= 3017, nxpk= 25, iat=  -1, 876, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 367, 368, 369, 895, 896, 897, 899, 900, 901,
 &end
#
#   20 SER  HA           55 THR  QG2         4.50    (#   3018:25  Preassigned    3.60, 4.36 A)
 &rst
  ixpk= 3018, nxpk= 25, iat= 319,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 878, 879, 880,
 &end
#
#   55 THR  HB           55 THR  QG2         3.50    (#   3019:25  Preassigned    2.27, 2.64 A)
 &rst
  ixpk= 3019, nxpk= 25, iat= 876,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 878, 879, 880,
 &end
#
#    0 AMB  25-3:3020    55 THR  QG2         4.50    (#   3020:25  Single Ambig)
 &rst
  ixpk= 3020, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 330, 850,
 igr2= 878, 879, 880,
 &end
#
#   55 THR  HA           55 THR  QG2         3.50    (#   3021:25  Preassigned    2.42, 2.96 A)
 &rst
  ixpk= 3021, nxpk= 25, iat= 874,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 878, 879, 880,
 &end
#
#   22 THR  HN           55 THR  QG2         4.50    (#   3022:25  Unique         2.88, 3.83 A)
 &rst
  ixpk= 3022, nxpk= 25, iat= 340,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 878, 879, 880,
 &end
#
#   56 LEU  HN           55 THR  QG2         3.50    (#   3023:25  Preassigned    3.60, 4.30 A)
 &rst
  ixpk= 3023, nxpk= 25, iat= 886,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 878, 879, 880,
 &end
#
#   57 SER  HN           56 LEU  HA          4.50    (#   3024:25  Preassigned    3.56, 3.56 A)
 &rst
  ixpk= 3024, nxpk= 25, iat= 905, 888, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   56 LEU  HN           56 LEU  HA          4.50    (#   3025:25  Preassigned    2.74, 2.74 A)
 &rst
  ixpk= 3025, nxpk= 25, iat= 886, 888, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   58 ASP  HN           56 LEU  HA          5.50    (#   3026:25  Preassigned    4.02, 4.06 A)
 &rst
  ixpk= 3026, nxpk= 25, iat= 916, 888, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:3027    56 LEU  HA          4.50    (#   3027:25  Single Ambig)
 &rst
  ixpk= 3027, nxpk= 25, iat=  -1, 888, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 936, 928,
 &end
#
#    0 AMB  25-3:3028    56 LEU  HA          5.50    (#   3028:25  Single Ambig)
 &rst
  ixpk= 3028, nxpk= 25, iat=  -1, 888, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 930, 850, 330,
 &end
#
#   55 THR  HB           56 LEU  HA          5.50    (#   3029:25  Preassigned    4.69, 4.72 A)
 &rst
  ixpk= 3029, nxpk= 25, iat= 876, 888, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   57 SER  HB-          56 LEU  HA          5.50    (#   3030:25  Preassigned    5.64, 6.16 A)
 &rst
  ixpk= 3030, nxpk= 25, iat=  -1, 888, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 909, 910,
 &end
#
#   59 TYR  HB-          56 LEU  HA          5.50    (#   3031:25  Preassigned    3.28, 4.18 A)
 &rst
  ixpk= 3031, nxpk= 25, iat=  -1, 888, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 932, 933,
 &end
#
#   59 TYR  HB+          56 LEU  HA          5.50    (#   3032:25  Preassigned    3.28, 4.18 A)
 &rst
  ixpk= 3032, nxpk= 25, iat=  -1, 888, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 932, 933,
 &end
#
#   56 LEU  HB+          56 LEU  HA          4.50    (#   3033:25  Preassigned    2.46, 2.74 A)
 &rst
  ixpk= 3033, nxpk= 25, iat=  -1, 888, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 890, 891,
 &end
#
#   56 LEU  HG           56 LEU  HA          4.50    (#   3034:25  Preassigned    3.09, 3.31 A)
 &rst
  ixpk= 3034, nxpk= 25, iat= 893, 888, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   61 ILE  HB           56 LEU  HA          4.50    (#   3035:25  Preassigned    2.70, 2.81 A)
 &rst
  ixpk= 3035, nxpk= 25, iat= 967, 888, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   26 VAL  QG+          56 LEU  HA          5.50    (#   3036:25  Preassigned    4.73, 6.34 A)
 &rst
  ixpk= 3036, nxpk= 25, iat=  -1, 888, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 408, 409, 410, 412, 413, 414,
 &end
#
#   56 LEU  QD-          56 LEU  HA          4.50    (#   3037:25  Preassigned    1.93, 3.64 A)
 &rst
  ixpk= 3037, nxpk= 25, iat=  -1, 888, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 895, 896, 897, 899, 900, 901,
 &end
#
#   61 ILE  QG2          56 LEU  HB+         4.50    (#   3038:25  Unique         1.88, 3.74 A)
 &rst
  ixpk= 3038, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 969, 970, 971,
 igr2= 890, 891,
 &end
#
#   61 ILE  HB           56 LEU  HB+         4.50    (#   3039:25  Preassigned    1.99, 2.76 A)
 &rst
  ixpk= 3039, nxpk= 25, iat= 967,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 890, 891,
 &end
#
#   56 LEU  HG           56 LEU  HB+         4.50    (#   3040:25  Preassigned    2.33, 2.68 A)
 &rst
  ixpk= 3040, nxpk= 25, iat= 893,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 890, 891,
 &end
#
#   55 THR  HB           56 LEU  HB+         5.50    (#   3041:25  Preassigned    3.90, 4.71 A)
 &rst
  ixpk= 3041, nxpk= 25, iat= 876,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 890, 891,
 &end
#
#   55 THR  HA           56 LEU  HB+         7.00    (#   3042:25  Preassigned    4.80, 5.37 A)
 &rst
  ixpk= 3042, nxpk= 25, iat= 874,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 890, 891,
 &end
#
#    0 AMB  25-3:3043     0 AMB  25-1:3043   5.50    (#   3043:25  Double Ambig)
 &rst
  ixpk= 3043, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 963, 928, 994, 995,
 igr2= 890, 891, 890, 891, 890, 891,
 &end
#
#   58 ASP  HN           56 LEU  HB+         7.00    (#   3044:25  Unique         4.58, 4.91 A)
 &rst
  ixpk= 3044, nxpk= 25, iat= 916,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 890, 891,
 &end
#
#   56 LEU  HN           56 LEU  HB+         4.50    (#   3045:25  Preassigned    2.42, 3.07 A)
 &rst
  ixpk= 3045, nxpk= 25, iat= 886,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 890, 891,
 &end
#
#   57 SER  HN           56 LEU  HB+         4.50    (#   3046:25  Preassigned    2.29, 2.85 A)
 &rst
  ixpk= 3046, nxpk= 25, iat= 905,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 890, 891,
 &end
#
#   57 SER  HN           56 LEU  HB-         4.50    (#   3047:25  Preassigned    2.29, 2.85 A)
 &rst
  ixpk= 3047, nxpk= 25, iat= 905,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 890, 891,
 &end
#
#   61 ILE  HN           56 LEU  HB-         5.50    (#   3048:25  Preassigned    4.21, 4.80 A)
 &rst
  ixpk= 3048, nxpk= 25, iat= 963,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 890, 891,
 &end
#
#   55 THR  HB           56 LEU  HB-         5.50    (#   3049:25  Preassigned    3.90, 4.71 A)
 &rst
  ixpk= 3049, nxpk= 25, iat= 876,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 890, 891,
 &end
#
#   19 PRO  HB+          56 LEU  HB-         5.50    (#   3050:25  Preassigned    4.02, 4.40 A)
 &rst
  ixpk= 3050, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 310, 311,
 igr2= 890, 891,
 &end
#
#   56 LEU  HG           56 LEU  HB-         4.50    (#   3051:25  Preassigned    2.33, 2.68 A)
 &rst
  ixpk= 3051, nxpk= 25, iat= 893,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 890, 891,
 &end
#
#   26 VAL  QG+          56 LEU  HB-         7.00    (#   3052:25  Preassigned    5.08, 6.70 A)
 &rst
  ixpk= 3052, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1= 408, 409, 410, 412, 413, 414,
 igr2= 890, 891,
 &end
#
#    0 AMB  25-3:3053    56 LEU  HG          4.50    (#   3053:25  Single Ambig)
 &rst
  ixpk= 3053, nxpk= 25, iat=  -1, 893, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 969, 970, 971, 976, 977, 978, 278, 279, 280, 282,
       283, 284,
 &end
#
#   56 LEU  QD+          56 LEU  HG          3.50    (#   3054:25  Unique         2.21, 2.63 A)
 &rst
  ixpk= 3054, nxpk= 25, iat=  -1, 893, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 895, 896, 897, 899, 900, 901,
 &end
#
#   56 LEU  QD-          56 LEU  HG          3.50    (#   3055:25  Preassigned    2.21, 2.63 A)
 &rst
  ixpk= 3055, nxpk= 25, iat=  -1, 893, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 895, 896, 897, 899, 900, 901,
 &end
#
#   26 VAL  QG+          56 LEU  HG          4.50    (#   3056:25  Preassigned    2.68, 4.65 A)
 &rst
  ixpk= 3056, nxpk= 25, iat=  -1, 893, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 408, 409, 410, 412, 413, 414,
 &end
#
#   56 LEU  HB-          56 LEU  HG          4.50    (#   3057:25  Preassigned    2.33, 2.68 A)
 &rst
  ixpk= 3057, nxpk= 25, iat=  -1, 893, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 890, 891,
 &end
#
#   56 LEU  HB+          56 LEU  HG          4.50    (#   3058:25  Preassigned    2.33, 2.68 A)
 &rst
  ixpk= 3058, nxpk= 25, iat=  -1, 893, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 890, 891,
 &end
#
#   21 ASP  HB+          56 LEU  HG          5.50    (#   3059:25  Preassigned    2.92, 3.75 A)
 &rst
  ixpk= 3059, nxpk= 25, iat=  -1, 893, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 332, 333,
 &end
#
#   56 LEU  HA           56 LEU  HG          4.50    (#   3060:25  Preassigned    3.09, 3.31 A)
 &rst
  ixpk= 3060, nxpk= 25, iat= 888, 893, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   55 THR  HB           56 LEU  HG          5.50    (#   3061:25  Preassigned    4.43, 4.48 A)
 &rst
  ixpk= 3061, nxpk= 25, iat= 876, 893, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   55 THR  HA           56 LEU  HG          5.50    (#   3062:25  Preassigned    4.22, 4.25 A)
 &rst
  ixpk= 3062, nxpk= 25, iat= 874, 893, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   56 LEU  HN           56 LEU  HG          4.50    (#   3063:25  Preassigned    2.25, 2.29 A)
 &rst
  ixpk= 3063, nxpk= 25, iat= 886, 893, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   57 SER  HN           56 LEU  HG          5.50    (#   3064:25  Preassigned    4.19, 4.24 A)
 &rst
  ixpk= 3064, nxpk= 25, iat= 905, 893, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   61 ILE  HG1-         56 LEU  QD+         5.50    (#   3065:25  Preassigned    3.72, 6.00 A)
 &rst
  ixpk= 3065, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 973, 974,
 igr2= 895, 896, 897, 899, 900, 901,
 &end
#
#   50 LEU  QD-          56 LEU  QD+         5.50    (#   3066:25  Preassigned    3.85, 7.61 A)
 &rst
  ixpk= 3066, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 804, 805, 806, 808, 809, 810,
 igr2= 895, 896, 897, 899, 900, 901,
 &end
#
#   21 ASP  HB-          56 LEU  QD+         5.50    (#   3068:25  Preassigned    3.12, 5.36 A)
 &rst
  ixpk= 3068, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 332, 333,
 igr2= 895, 896, 897, 899, 900, 901,
 &end
#
#   59 TYR  HB-          56 LEU  QD+         5.50    (#   3070:25  Preassigned    4.41, 7.16 A)
 &rst
  ixpk= 3070, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 932, 933,
 igr2= 895, 896, 897, 899, 900, 901,
 &end
#
#   55 THR  HB           56 LEU  QD+         5.50    (#   3071:25  Preassigned    5.25, 6.37 A)
 &rst
  ixpk= 3071, nxpk= 25, iat= 876,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 895, 896, 897, 899, 900, 901,
 &end
#
#    0 AMB  25-3:3072     0 AMB  25-1:3072   5.50    (#   3072:25  Double Ambig)
 &rst
  ixpk= 3072, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 274, 330,
 igr2= 895, 896, 897, 899, 900, 901, 895, 896, 897, 899,
       900, 901,
 &end
#
#   22 THR  HA           56 LEU  QD+         5.50    (#   3073:25  Preassigned    4.89, 6.85 A)
 &rst
  ixpk= 3073, nxpk= 25, iat= 342,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 895, 896, 897, 899, 900, 901,
 &end
#
#   55 THR  HA           56 LEU  QD+         5.50    (#   3074:25  Preassigned    4.03, 5.94 A)
 &rst
  ixpk= 3074, nxpk= 25, iat= 874,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 895, 896, 897, 899, 900, 901,
 &end
#
#   59 TYR  HE1          56 LEU  QD+         7.00    (#   3075:25  Preassigned    5.28, 7.40 A)
 &rst
  ixpk= 3075, nxpk= 25, iat= 938,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2= 895, 896, 897, 899, 900, 901,
 &end
#
#    0 AMB  25-3:3076     0 AMB  25-1:3076   5.50    (#   3076:25  Double Ambig)
 &rst
  ixpk= 3076, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 916, 340,
 igr2= 895, 896, 897, 899, 900, 901, 895, 896, 897, 899,
       900, 901,
 &end
#
#    0 AMB  25-3:3077    70 VAL  HA          4.50    (#   3077:25  Single Ambig)
 &rst
  ixpk= 3077, nxpk= 25, iat=  -1,1118, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1116, 129,
 &end
#
#   58 ASP  HN           57 SER  HA          4.50    (#   3078:25  Preassigned    3.46, 3.47 A)
 &rst
  ixpk= 3078, nxpk= 25, iat= 916, 907, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:3079    57 SER  HA          4.50    (#   3079:25  Single Ambig)
 &rst
  ixpk= 3079, nxpk= 25, iat=  -1, 907, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 994, 995, 963,
 &end
#
#   19 PRO  HB+          57 SER  HA          5.50    (#   3080:25  Preassigned    3.84, 4.21 A)
 &rst
  ixpk= 3080, nxpk= 25, iat=  -1, 907, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 310, 311,
 &end
#
#   19 PRO  HG-          57 SER  HA          5.50    (#   3081:25  Preassigned    6.12, 6.28 A)
 &rst
  ixpk= 3081, nxpk= 25, iat=  -1, 907, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 307, 308,
 &end
#
#   55 THR  QG2          57 SER  HB+         5.50    (#   3082:25  Preassigned    5.25, 6.78 A)
 &rst
  ixpk= 3082, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 878, 879, 880,
 igr2= 909, 910,
 &end
#
#   19 PRO  HB-          57 SER  HB+         4.50    (#   3083:25  Preassigned    2.23, 4.35 A)
 &rst
  ixpk= 3083, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 310, 311,
 igr2= 909, 910,
 &end
#
#   19 PRO  HG+          57 SER  HB+         5.50    (#   3084:25  Preassigned    4.17, 5.78 A)
 &rst
  ixpk= 3084, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 307, 308,
 igr2= 909, 910,
 &end
#
#   19 PRO  HB+          57 SER  HB+         4.50    (#   3085:25  Preassigned    2.23, 4.35 A)
 &rst
  ixpk= 3085, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 310, 311,
 igr2= 909, 910,
 &end
#
#   19 PRO  HA           57 SER  HB+         4.50    (#   3086:25  Preassigned    3.78, 5.01 A)
 &rst
  ixpk= 3086, nxpk= 25, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 909, 910,
 &end
#
#   20 SER  HA           57 SER  HB+         4.50    (#   3087:25  Unique         3.09, 4.13 A)
 &rst
  ixpk= 3087, nxpk= 25, iat= 319,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 909, 910,
 &end
#
#   55 THR  HB           57 SER  HB+         4.50    (#   3088:25  Preassigned    3.62, 4.63 A)
 &rst
  ixpk= 3088, nxpk= 25, iat= 876,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 909, 910,
 &end
#
#   59 TYR  HA           57 SER  HB+         7.00    (#   3089:25  Preassigned    7.28, 7.62 A)
 &rst
  ixpk= 3089, nxpk= 25, iat= 930,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 909, 910,
 &end
#
#   59 TYR  HN           57 SER  HB+         5.50    (#   3090:25  Preassigned    4.83, 5.00 A)
 &rst
  ixpk= 3090, nxpk= 25, iat= 928,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 909, 910,
 &end
#
#   58 ASP  HN           57 SER  HB+         4.50    (#   3091:25  Preassigned    3.08, 3.54 A)
 &rst
  ixpk= 3091, nxpk= 25, iat= 916,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 909, 910,
 &end
#
#    0 AMB  25-3:3092     0 AMB  25-1:3092   4.50    (#   3092:25  Double Ambig)
 &rst
  ixpk= 3092, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 886, 949,
 igr2= 909, 910, 909, 910,
 &end
#
#   55 THR  HN           57 SER  HB-         7.00    (#   3093:25  Preassigned    5.90, 6.58 A)
 &rst
  ixpk= 3093, nxpk= 25, iat= 872,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 909, 910,
 &end
#
#    0 AMB  25-3:3094    57 SER  HB-         4.50    (#   3094:25  Single Ambig)
 &rst
  ixpk= 3094, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 886, 949,
 igr2= 909, 910,
 &end
#
#   58 ASP  HN           57 SER  HB-         4.50    (#   3095:25  Preassigned    3.08, 3.54 A)
 &rst
  ixpk= 3095, nxpk= 25, iat= 916,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 909, 910,
 &end
#
#   59 TYR  HN           57 SER  HB-         5.50    (#   3096:25  Preassigned    4.83, 5.00 A)
 &rst
  ixpk= 3096, nxpk= 25, iat= 928,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 909, 910,
 &end
#
#   59 TYR  HA           57 SER  HB-         7.00    (#   3097:25  Preassigned    7.28, 7.62 A)
 &rst
  ixpk= 3097, nxpk= 25, iat= 930,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 909, 910,
 &end
#
#   55 THR  HB           57 SER  HB-         4.50    (#   3098:25  Preassigned    3.62, 4.63 A)
 &rst
  ixpk= 3098, nxpk= 25, iat= 876,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 909, 910,
 &end
#
#   20 SER  HA           57 SER  HB-         4.50    (#   3099:25  Unique         3.09, 4.13 A)
 &rst
  ixpk= 3099, nxpk= 25, iat= 319,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 909, 910,
 &end
#
#   19 PRO  HA           57 SER  HB-         4.50    (#   3100:25  Preassigned    3.78, 5.01 A)
 &rst
  ixpk= 3100, nxpk= 25, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 909, 910,
 &end
#
#   19 PRO  HB+          57 SER  HB-         4.50    (#   3101:25  Preassigned    2.23, 4.35 A)
 &rst
  ixpk= 3101, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 310, 311,
 igr2= 909, 910,
 &end
#
#   19 PRO  HG+          57 SER  HB-         5.50    (#   3102:25  Preassigned    4.17, 5.78 A)
 &rst
  ixpk= 3102, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 307, 308,
 igr2= 909, 910,
 &end
#
#   19 PRO  HB-          57 SER  HB-         4.50    (#   3103:25  Preassigned    2.23, 4.35 A)
 &rst
  ixpk= 3103, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 310, 311,
 igr2= 909, 910,
 &end
#
#    1 MET  QE           57 SER  HB-         5.50    (#   3104:25  Preassigned    5.35, 7.52 A)
 &rst
  ixpk= 3104, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  15,  16,  17,
 igr2= 909, 910,
 &end
#
#   55 THR  QG2          57 SER  HB-         5.50    (#   3105:25  Preassigned    5.25, 6.78 A)
 &rst
  ixpk= 3105, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 878, 879, 880,
 igr2= 909, 910,
 &end
#
#   55 THR  HN           58 ASP  HA          5.50    (#   3106:25  Preassigned    4.60, 4.63 A)
 &rst
  ixpk= 3106, nxpk= 25, iat= 872, 918, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   55 THR  HN           58 ASP  HB+         3.50    (#   3107:25  Preassigned    1.96, 2.18 A)
 &rst
  ixpk= 3107, nxpk= 25, iat= 872,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 920, 921,
 &end
#
#    0 AMB  25-3:3108     0 AMB  25-1:3108   5.50    (#   3108:25  Double Ambig)
 &rst
  ixpk= 3108, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 905, 814,
 igr2= 920, 921, 920, 921,
 &end
#
#    0 AMB  25-3:3109     0 AMB  25-1:3109   7.00    (#   3109:25  Double Ambig)
 &rst
  ixpk= 3109, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
 igr1= 886, 949,
 igr2= 920, 921, 920, 921,
 &end
#
#   54 ARG  HN           58 ASP  HB+         5.50    (#   3110:25  Preassigned    5.85, 6.19 A)
 &rst
  ixpk= 3110, nxpk= 25, iat= 848,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 920, 921,
 &end
#
#    0 AMB  25-3:3111     0 AMB  25-1:3111   4.50    (#   3111:25  Double Ambig)
 &rst
  ixpk= 3111, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 936, 928,
 igr2= 920, 921, 920, 921,
 &end
#
#   59 TYR  HE1          58 ASP  HB+         5.50    (#   3112:25  Preassigned    3.58, 4.34 A)
 &rst
  ixpk= 3112, nxpk= 25, iat= 938,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 920, 921,
 &end
#
#    0 AMB  25-3:3113     0 AMB  25-1:3113   4.50    (#   3113:25  Double Ambig)
 &rst
  ixpk= 3113, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 850, 930,
 igr2= 920, 921, 920, 921,
 &end
#
#   55 THR  HB           58 ASP  HB+         5.50    (#   3114:25  Preassigned    3.78, 4.47 A)
 &rst
  ixpk= 3114, nxpk= 25, iat= 876,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 920, 921,
 &end
#
#   58 ASP  HA           58 ASP  HB+         3.50    (#   3115:25  Preassigned    2.53, 2.82 A)
 &rst
  ixpk= 3115, nxpk= 25, iat= 918,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 920, 921,
 &end
#
#   54 ARG  HB-          58 ASP  HB+         4.50    (#   3116:25  Preassigned    2.32, 3.76 A)
 &rst
  ixpk= 3116, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 852, 853,
 igr2= 920, 921,
 &end
#
#   54 ARG  HG+          58 ASP  HB+         5.50    (#   3117:25  Preassigned    3.90, 5.18 A)
 &rst
  ixpk= 3117, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 855, 856,
 igr2= 920, 921,
 &end
#
#   54 ARG  HG-          58 ASP  HB+         5.50    (#   3118:25  Preassigned    3.90, 5.18 A)
 &rst
  ixpk= 3118, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 855, 856,
 igr2= 920, 921,
 &end
#
#   55 THR  QG2          58 ASP  HB+         5.50    (#   3119:25  Unique         4.35, 5.43 A)
 &rst
  ixpk= 3119, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 878, 879, 880,
 igr2= 920, 921,
 &end
#
#   55 THR  QG2          58 ASP  HB-         5.50    (#   3120:25  Unique         4.35, 5.43 A)
 &rst
  ixpk= 3120, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 878, 879, 880,
 igr2= 920, 921,
 &end
#
#   54 ARG  HG-          58 ASP  HB-         5.50    (#   3121:25  Preassigned    3.90, 5.18 A)
 &rst
  ixpk= 3121, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 855, 856,
 igr2= 920, 921,
 &end
#
#   54 ARG  HG+          58 ASP  HB-         5.50    (#   3122:25  Preassigned    3.90, 5.18 A)
 &rst
  ixpk= 3122, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 855, 856,
 igr2= 920, 921,
 &end
#
#   54 ARG  HB-          58 ASP  HB-         4.50    (#   3123:25  Preassigned    2.32, 3.76 A)
 &rst
  ixpk= 3123, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 852, 853,
 igr2= 920, 921,
 &end
#
#   55 THR  HB           58 ASP  HB-         7.00    (#   3124:25  Preassigned    3.78, 4.47 A)
 &rst
  ixpk= 3124, nxpk= 25, iat= 876,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 920, 921,
 &end
#
#    0 AMB  25-3:3125    58 ASP  HB-         5.50    (#   3125:25  Single Ambig)
 &rst
  ixpk= 3125, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 850, 930,
 igr2= 920, 921,
 &end
#
#   59 TYR  HE1          58 ASP  HB-         5.50    (#   3126:25  Preassigned    3.58, 4.34 A)
 &rst
  ixpk= 3126, nxpk= 25, iat= 938,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 920, 921,
 &end
#
#    0 AMB  25-3:3127     0 AMB  25-1:3127   3.50    (#   3127:25  Double Ambig)
 &rst
  ixpk= 3127, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 936, 945, 928,
 igr2= 932, 933, 932, 933, 932, 933,
 &end
#
#    0 AMB  25-3:3128    58 ASP  HB-         4.50    (#   3128:25  Single Ambig)
 &rst
  ixpk= 3128, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 936, 928,
 igr2= 920, 921,
 &end
#
#   54 ARG  HN           58 ASP  HB-         5.50    (#   3129:25  Preassigned    5.85, 6.19 A)
 &rst
  ixpk= 3129, nxpk= 25, iat= 848,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 920, 921,
 &end
#
#    0 AMB  25-3:3130    58 ASP  HB-         7.00    (#   3130:25  Single Ambig)
 &rst
  ixpk= 3130, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 886, 949,
 igr2= 920, 921,
 &end
#
#    0 AMB  25-3:3131    58 ASP  HB-         7.00    (#   3131:25  Single Ambig)
 &rst
  ixpk= 3131, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 905, 814,
 igr2= 920, 921,
 &end
#
#   55 THR  HN           58 ASP  HB-         4.50    (#   3132:25  Preassigned    1.96, 2.18 A)
 &rst
  ixpk= 3132, nxpk= 25, iat= 872,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 920, 921,
 &end
#
#   60 ASN  HN           59 TYR  HA          4.50    (#   3133:25  Preassigned    3.05, 3.06 A)
 &rst
  ixpk= 3133, nxpk= 25, iat= 949, 930, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   45 PHE  HZ           59 TYR  HA          7.00    (#   3134:25  Preassigned    6.86, 7.09 A)
 &rst
  ixpk= 3134, nxpk= 25, iat= 731, 930, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   60 ASN  HD2-         59 TYR  HA          5.50    (#   3135:25  Unique         2.74, 5.28 A)
 &rst
  ixpk= 3135, nxpk= 25, iat=  -1, 930, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 958, 959,
 &end
#
#   61 ILE  HG1-         59 TYR  HB+         5.50    (#   3136:25  Preassigned    2.56, 3.63 A)
 &rst
  ixpk= 3136, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 973, 974,
 igr2= 932, 933,
 &end
#
#   50 LEU  QD-          59 TYR  HB+         5.50    (#   3137:25  Preassigned    2.69, 4.53 A)
 &rst
  ixpk= 3137, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 804, 805, 806, 808, 809, 810,
 igr2= 932, 933,
 &end
#
#   61 ILE  QD1          59 TYR  HB+         3.50    (#   3138:25  Preassigned    1.97, 3.19 A)
 &rst
  ixpk= 3138, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 976, 977, 978,
 igr2= 932, 933,
 &end
#
#    0 AMB  25-3:3139     0 AMB  25-1:3139   5.50    (#   3139:25  Double Ambig)
 &rst
  ixpk= 3139, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 367, 368, 369, 895, 896, 897, 899, 900, 901,
 igr2= 932, 933, 932, 933,
 &end
#
#   61 ILE  HG1+         59 TYR  HB+         4.50    (#   3140:25  Preassigned    2.56, 3.63 A)
 &rst
  ixpk= 3140, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 973, 974,
 igr2= 932, 933,
 &end
#
#   61 ILE  HB           59 TYR  HB+         7.00    (#   3141:25  Preassigned    3.53, 4.40 A)
 &rst
  ixpk= 3141, nxpk= 25, iat= 967,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 932, 933,
 &end
#
#   56 LEU  HA           59 TYR  HB+         5.50    (#   3142:25  Preassigned    3.28, 4.18 A)
 &rst
  ixpk= 3142, nxpk= 25, iat= 888,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 932, 933,
 &end
#
#   60 ASN  HA           59 TYR  HB+         5.50    (#   3143:25  Preassigned    5.62, 5.77 A)
 &rst
  ixpk= 3143, nxpk= 25, iat= 951,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 932, 933,
 &end
#
#   59 TYR  HA           59 TYR  HB+         4.50    (#   3144:25  Preassigned    2.50, 2.77 A)
 &rst
  ixpk= 3144, nxpk= 25, iat= 930,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 932, 933,
 &end
#
#    0 AMB  25-3:3145     0 AMB  25-1:3145   5.50    (#   3145:25  Double Ambig)
 &rst
  ixpk= 3145, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 958, 959, 938, 943,
 igr2= 932, 933, 932, 933, 932, 933,
 &end
#
#   58 ASP  HN           59 TYR  HB+         7.00    (#   3146:25  Preassigned    4.66, 5.40 A)
 &rst
  ixpk= 3146, nxpk= 25, iat= 916,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 932, 933,
 &end
#
#   60 ASN  HN           59 TYR  HB+         5.50    (#   3147:25  Preassigned    3.91, 4.15 A)
 &rst
  ixpk= 3147, nxpk= 25, iat= 949,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 932, 933,
 &end
#
#   60 ASN  HN           59 TYR  HB-         5.50    (#   3148:25  Preassigned    3.91, 4.15 A)
 &rst
  ixpk= 3148, nxpk= 25, iat= 949,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 932, 933,
 &end
#
#   45 PHE  HE2          59 TYR  HB-         5.50    (#   3149:25  Preassigned    3.61, 4.22 A)
 &rst
  ixpk= 3149, nxpk= 25, iat= 733,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 932, 933,
 &end
#
#    0 AMB  25-3:3150    59 TYR  HB-         5.50    (#   3150:25  Single Ambig)
 &rst
  ixpk= 3150, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 958, 959, 938, 943,
 igr2= 932, 933,
 &end
#
#   59 TYR  HA           59 TYR  HB-         3.50    (#   3151:25  Preassigned    2.50, 2.77 A)
 &rst
  ixpk= 3151, nxpk= 25, iat= 930,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 932, 933,
 &end
#
#   56 LEU  HA           59 TYR  HB-         5.50    (#   3152:25  Preassigned    3.28, 4.18 A)
 &rst
  ixpk= 3152, nxpk= 25, iat= 888,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 932, 933,
 &end
#
#    0 AMB  25-3:3153    59 TYR  HB-         4.50    (#   3153:25  Single Ambig)
 &rst
  ixpk= 3153, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 953, 954, 965,
 igr2= 932, 933,
 &end
#
#   61 ILE  HB           59 TYR  HB-         5.50    (#   3154:25  Preassigned    3.53, 4.40 A)
 &rst
  ixpk= 3154, nxpk= 25, iat= 967,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 932, 933,
 &end
#
#   61 ILE  HG1+         59 TYR  HB-         4.50    (#   3155:25  Preassigned    2.56, 3.63 A)
 &rst
  ixpk= 3155, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 973, 974,
 igr2= 932, 933,
 &end
#
#    0 AMB  25-3:3156    59 TYR  HB-         5.50    (#   3156:25  Single Ambig)
 &rst
  ixpk= 3156, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 367, 368, 369, 895, 896, 897, 899, 900, 901,
 igr2= 932, 933,
 &end
#
#   61 ILE  QD1          59 TYR  HB-         4.50    (#   3157:25  Preassigned    1.97, 3.19 A)
 &rst
  ixpk= 3157, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 976, 977, 978,
 igr2= 932, 933,
 &end
#
#   50 LEU  QD-          59 TYR  HB-         5.50    (#   3158:25  Preassigned    2.69, 4.53 A)
 &rst
  ixpk= 3158, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 804, 805, 806, 808, 809, 810,
 igr2= 932, 933,
 &end
#
#   61 ILE  HG1-         59 TYR  HB-         5.50    (#   3159:25  Preassigned    2.56, 3.63 A)
 &rst
  ixpk= 3159, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 973, 974,
 igr2= 932, 933,
 &end
#
#    0 AMB  25-3:3160    60 ASN  HA          5.50    (#   3160:25  Single Ambig)
 &rst
  ixpk= 3160, nxpk= 25, iat=  -1, 951, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 976, 977, 978, 969, 970, 971,
 &end
#
#   61 ILE  HG1+         60 ASN  HA          5.50    (#   3161:25  Preassigned    4.82, 5.69 A)
 &rst
  ixpk= 3161, nxpk= 25, iat=  -1, 951, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 973, 974,
 &end
#
#   61 ILE  HB           60 ASN  HA          5.50    (#   3162:25  Preassigned    5.32, 5.43 A)
 &rst
  ixpk= 3162, nxpk= 25, iat= 967, 951, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   62 GLN  HG-          60 ASN  HA          4.50    (#   3163:25  Preassigned    3.34, 4.15 A)
 &rst
  ixpk= 3163, nxpk= 25, iat=  -1, 951, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 989, 990,
 &end
#
#   59 TYR  HA           60 ASN  HA          5.50    (#   3164:25  Preassigned    4.92, 4.93 A)
 &rst
  ixpk= 3164, nxpk= 25, iat= 930, 951, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   60 ASN  HD2-         60 ASN  HA          5.50    (#   3165:25  Preassigned    2.08, 2.96 A)
 &rst
  ixpk= 3165, nxpk= 25, iat=  -1, 951, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 958, 959,
 &end
#
#   60 ASN  HD2+         60 ASN  HA          5.50    (#   3166:25  Preassigned    2.08, 2.96 A)
 &rst
  ixpk= 3166, nxpk= 25, iat=  -1, 951, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 958, 959,
 &end
#
#   60 ASN  HN           60 ASN  HB+         4.50    (#   3167:25  Preassigned    3.21, 3.65 A)
 &rst
  ixpk= 3167, nxpk= 25, iat= 949,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 953, 954,
 &end
#
#   45 PHE  HZ           60 ASN  HB+         5.50    (#   3168:25  Preassigned    3.99, 4.68 A)
 &rst
  ixpk= 3168, nxpk= 25, iat= 731,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 953, 954,
 &end
#
#    0 AMB  25-3:3169     0 AMB  25-1:3169   4.50    (#   3169:25  Double Ambig)
 &rst
  ixpk= 3169, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 994, 995, 963, 735,
 igr2= 953, 954, 953, 954, 953, 954,
 &end
#
#   60 ASN  HD2-         60 ASN  HB+         4.50    (#   3170:25  Preassigned    2.43, 3.49 A)
 &rst
  ixpk= 3170, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 958, 959,
 igr2= 953, 954,
 &end
#
#   59 TYR  HA           60 ASN  HB+         5.50    (#   3171:25  Preassigned    3.79, 4.57 A)
 &rst
  ixpk= 3171, nxpk= 25, iat= 930,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 953, 954,
 &end
#
#   59 TYR  HA           60 ASN  HB-         5.50    (#   3172:25  Preassigned    3.79, 4.57 A)
 &rst
  ixpk= 3172, nxpk= 25, iat= 930,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 953, 954,
 &end
#
#   60 ASN  HD2-         60 ASN  HB-         4.50    (#   3173:25  Preassigned    2.43, 3.49 A)
 &rst
  ixpk= 3173, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 958, 959,
 igr2= 953, 954,
 &end
#
#    0 AMB  25-3:3174    60 ASN  HB-         4.50    (#   3174:25  Single Ambig)
 &rst
  ixpk= 3174, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 994, 995, 963, 735,
 igr2= 953, 954,
 &end
#
#   60 ASN  HD2+         60 ASN  HB-         4.50    (#   3175:25  Preassigned    2.43, 3.49 A)
 &rst
  ixpk= 3175, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 958, 959,
 igr2= 953, 954,
 &end
#
#   60 ASN  HN           61 ILE  HA          5.50    (#   3176:25  Preassigned    5.15, 5.17 A)
 &rst
  ixpk= 3176, nxpk= 25, iat= 949, 965, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   65 SER  HN           61 ILE  HA          7.00    (#   3177:25  Preassigned    5.66, 5.72 A)
 &rst
  ixpk= 3177, nxpk= 25, iat=1036, 965, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  25-3:3178    61 ILE  HA          4.50    (#   3178:25  Single Ambig)
 &rst
  ixpk= 3178, nxpk= 25, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 731, 733, 729,
 &end
#
#   62 GLN  HA           61 ILE  HA          4.50    (#   3179:25  Preassigned    4.40, 4.41 A)
 &rst
  ixpk= 3179, nxpk= 25, iat= 984, 965, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   60 ASN  HA           61 ILE  HA          5.50    (#   3180:25  Preassigned    4.52, 4.64 A)
 &rst
  ixpk= 3180, nxpk= 25, iat= 951, 965, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   19 PRO  HA           61 ILE  HA          7.00    (#   3181:25  Preassigned    6.30, 6.39 A)
 &rst
  ixpk= 3181, nxpk= 25, iat= 313, 965, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   65 SER  HB+          61 ILE  HA          4.50    (#   3182:25  Preassigned    3.42, 3.69 A)
 &rst
  ixpk= 3182, nxpk= 25, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1040,1041,
 &end
#
#   65 SER  HB-          61 ILE  HA          5.50    (#   3183:25  Preassigned    3.42, 3.69 A)
 &rst
  ixpk= 3183, nxpk= 25, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1040,1041,
 &end
#
#   59 TYR  HB+          61 ILE  HA          5.50    (#   3184:25  Preassigned    5.03, 5.49 A)
 &rst
  ixpk= 3184, nxpk= 25, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 932, 933,
 &end
#
#   62 GLN  HG-          61 ILE  HA          4.50    (#   3185:25  Preassigned    3.76, 4.78 A)
 &rst
  ixpk= 3185, nxpk= 25, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 989, 990,
 &end
#
#    0 AMB  25-3:3186    61 ILE  HA          4.50    (#   3186:25  Single Ambig)
 &rst
  ixpk= 3186, nxpk= 25, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 986, 987, 986, 987,
 &end
#
#    1 MET  QE           61 ILE  HA          5.50    (#   3187:25  Preassigned    5.00, 5.96 A)
 &rst
  ixpk= 3187, nxpk= 25, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  15,  16,  17,
 &end
#
#   61 ILE  HB           61 ILE  HA          4.50    (#   3188:25  Preassigned    3.02, 3.02 A)
 &rst
  ixpk= 3188, nxpk= 25, iat= 967, 965, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   61 ILE  HG1+         61 ILE  HA          3.50    (#   3189:25  Preassigned    2.60, 2.73 A)
 &rst
  ixpk= 3189, nxpk= 25, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 973, 974,
 &end
#
#    0 AMB  25-3:3190    61 ILE  HA          4.50    (#   3190:25  Single Ambig)
 &rst
  ixpk= 3190, nxpk= 25, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=  44,  45,  46, 895, 896, 897, 899, 900, 901,1070,
      1071,1072,1074,1075,1076,
 &end
#
#   61 ILE  HG1-         61 ILE  HB          4.50    (#   3191:25  Preassigned    2.62, 2.81 A)
 &rst
  ixpk= 3191, nxpk= 25, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 973, 974,
 &end
#
#    0 AMB  25-3:3192    61 ILE  HB          2.80    (#   3192:25  Single Ambig)
 &rst
  ixpk= 3192, nxpk= 25, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 969, 970, 971, 976, 977, 978,
 &end
#
#    0 AMB  25-3:3193    61 ILE  HB          3.50    (#   3193:25  Single Ambig)
 &rst
  ixpk= 3193, nxpk= 25, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 895, 896, 897, 899, 900, 901,  44,  45,  46,1070,
      1071,1072,1074,1075,1076,
 &end
#
#   56 LEU  QD-          61 ILE  HB          4.50    (#   3194:25  Preassigned    3.23, 4.54 A)
 &rst
  ixpk= 3194, nxpk= 25, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 895, 896, 897, 899, 900, 901,
 &end
#
#   61 ILE  HG1+         61 ILE  HB          3.50    (#   3195:25  Preassigned    2.62, 2.81 A)
 &rst
  ixpk= 3195, nxpk= 25, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 973, 974,
 &end
#
#   56 LEU  HB-          61 ILE  HB          4.50    (#   3196:25  Preassigned    1.99, 2.76 A)
 &rst
  ixpk= 3196, nxpk= 25, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 890, 891,
 &end
#
#    1 MET  QE           61 ILE  HB          5.50    (#   3197:25  Preassigned    4.16, 4.93 A)
 &rst
  ixpk= 3197, nxpk= 25, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  15,  16,  17,
 &end
#
#    0 AMB  25-3:3198    61 ILE  HB          5.50    (#   3198:25  Single Ambig)
 &rst
  ixpk= 3198, nxpk= 25, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 893,  42,
 &end
#
#   56 LEU  HB+          61 ILE  HB          4.50    (#   3199:25  Preassigned    1.99, 2.76 A)
 &rst
  ixpk= 3199, nxpk= 25, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 890, 891,
 &end
#
#   59 TYR  HB+          61 ILE  HB          5.50    (#   3200:25  Preassigned    3.53, 4.40 A)
 &rst
  ixpk= 3200, nxpk= 25, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 932, 933,
 &end
#
#   61 ILE  HA           61 ILE  HB          4.50    (#   3201:25  Preassigned    3.02, 3.02 A)
 &rst
  ixpk= 3201, nxpk= 25, iat= 965, 967, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   56 LEU  HA           61 ILE  HB          4.50    (#   3202:25  Preassigned    2.70, 2.81 A)
 &rst
  ixpk= 3202, nxpk= 25, iat= 888, 967, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   60 ASN  HA           61 ILE  HB          5.50    (#   3203:25  Preassigned    5.32, 5.43 A)
 &rst
  ixpk= 3203, nxpk= 25, iat= 951, 967, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   61 ILE  HN           61 ILE  HB          3.50    (#   3204:25  Preassigned    2.45, 2.48 A)
 &rst
  ixpk= 3204, nxpk= 25, iat= 963, 967, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   62 GLN  HN           61 ILE  HB          5.50    (#   3205:25  Preassigned    4.46, 4.47 A)
 &rst
  ixpk= 3205, nxpk= 25, iat= 982, 967, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:3206    61 ILE  HB          4.50    (#   3206:25  Single Ambig)
 &rst
  ixpk= 3206, nxpk= 25, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 949, 886,
 &end
#
#   60 ASN  HN           61 ILE  HG1+        7.00    (#   3207:25  Preassigned    4.25, 5.20 A)
 &rst
  ixpk= 3207, nxpk= 25, iat= 949,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 973, 974,
 &end
#
#   62 GLN  HN           61 ILE  HG1+        4.50    (#   3208:25  Preassigned    4.77, 4.87 A)
 &rst
  ixpk= 3208, nxpk= 25, iat= 982,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 973, 974,
 &end
#
#    0 AMB  25-3:3209     0 AMB  25-1:3209   5.50    (#   3209:25  Double Ambig)
 &rst
  ixpk= 3209, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 733, 731, 729,
 igr2= 973, 974, 973, 974, 973, 974,
 &end
#
#   61 ILE  HN           61 ILE  HG1+        3.50    (#   3210:25  Unique         2.21, 3.22 A)
 &rst
  ixpk= 3210, nxpk= 25, iat= 963,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 973, 974,
 &end
#
#   59 TYR  HB-          61 ILE  HG1+        4.50    (#   3211:25  Preassigned    2.56, 3.63 A)
 &rst
  ixpk= 3211, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 932, 933,
 igr2= 973, 974,
 &end
#
#   61 ILE  HA           61 ILE  HG1+        4.50    (#   3212:25  Preassigned    2.60, 2.73 A)
 &rst
  ixpk= 3212, nxpk= 25, iat= 965,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 973, 974,
 &end
#
#   59 TYR  HB+          61 ILE  HG1+        4.50    (#   3213:25  Preassigned    2.56, 3.63 A)
 &rst
  ixpk= 3213, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 932, 933,
 igr2= 973, 974,
 &end
#
#   61 ILE  HB           61 ILE  HG1+        4.50    (#   3214:25  Preassigned    2.62, 2.81 A)
 &rst
  ixpk= 3214, nxpk= 25, iat= 967,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 973, 974,
 &end
#
#    0 AMB  25-3:3215     0 AMB  25-1:3215   4.50    (#   3215:25  Double Ambig)
 &rst
  ixpk= 3215, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
 igr1=1070,1071,1072,1074,1075,1076, 895, 896, 897, 899,
       900, 901,  44,  45,  46,
 igr2= 973, 974, 973, 974, 973, 974,
 &end
#
#    0 AMB  25-3:3216     0 AMB  25-1:3216   3.50    (#   3216:25  Double Ambig)
 &rst
  ixpk= 3216, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 969, 970, 971, 976, 977, 978,
 igr2= 973, 974, 973, 974,
 &end
#
#    0 AMB  25-3:3217    61 ILE  HG1-        3.50    (#   3217:25  Single Ambig)
 &rst
  ixpk= 3217, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 969, 970, 971, 976, 977, 978,
 igr2= 973, 974,
 &end
#
#    0 AMB  25-3:3218    61 ILE  HG1-        4.50    (#   3218:25  Single Ambig)
 &rst
  ixpk= 3218, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1070,1071,1072,1074,1075,1076, 895, 896, 897, 899,
       900, 901,  44,  45,  46,
 igr2= 973, 974,
 &end
#
#   61 ILE  HB           61 ILE  HG1-        4.50    (#   3219:25  Preassigned    2.62, 2.81 A)
 &rst
  ixpk= 3219, nxpk= 25, iat= 967,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 973, 974,
 &end
#
#   59 TYR  HB+          61 ILE  HG1-        5.50    (#   3220:25  Preassigned    2.56, 3.63 A)
 &rst
  ixpk= 3220, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 932, 933,
 igr2= 973, 974,
 &end
#
#   61 ILE  HA           61 ILE  HG1-        4.50    (#   3221:25  Preassigned    2.60, 2.73 A)
 &rst
  ixpk= 3221, nxpk= 25, iat= 965,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 973, 974,
 &end
#
#   59 TYR  HB-          61 ILE  HG1-        5.50    (#   3222:25  Preassigned    2.56, 3.63 A)
 &rst
  ixpk= 3222, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 932, 933,
 igr2= 973, 974,
 &end
#
#   61 ILE  HN           61 ILE  HG1-        4.50    (#   3223:25  Unique         2.21, 3.22 A)
 &rst
  ixpk= 3223, nxpk= 25, iat= 963,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 973, 974,
 &end
#
#    0 AMB  25-3:3224    61 ILE  HG1-        5.50    (#   3224:25  Single Ambig)
 &rst
  ixpk= 3224, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 733, 731, 729,
 igr2= 973, 974,
 &end
#
#   62 GLN  HN           61 ILE  HG1-        5.50    (#   3225:25  Preassigned    4.77, 4.87 A)
 &rst
  ixpk= 3225, nxpk= 25, iat= 982,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 973, 974,
 &end
#
#   66 THR  HN           61 ILE  QG2         5.50    (#   3226:25  Preassigned    4.76, 5.98 A)
 &rst
  ixpk= 3226, nxpk= 25, iat=1047,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 969, 970, 971,
 &end
#
#    4 PHE  HN           61 ILE  QG2         5.50    (#   3227:25  Preassigned    5.62, 6.31 A)
 &rst
  ixpk= 3227, nxpk= 25, iat=  57,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 969, 970, 971,
 &end
#
#   63 LYS  HN           61 ILE  QG2         5.50    (#   3228:25  Unique         3.12, 3.96 A)
 &rst
  ixpk= 3228, nxpk= 25, iat= 999,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 969, 970, 971,
 &end
#
#    0 AMB  25-3:3229    61 ILE  QG2         5.50    (#   3229:25  Single Ambig)
 &rst
  ixpk= 3229, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 886, 949,
 igr2= 969, 970, 971,
 &end
#
#   65 SER  HG           61 ILE  QG2         5.50    (#   3230:25  Unique         2.44, 4.01 A)
 &rst
  ixpk= 3230, nxpk= 25, iat=1043,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 969, 970, 971,
 &end
#
#   67 LEU  HA           61 ILE  QG2         7.00    (#   3231:25  Preassigned    5.79, 7.08 A)
 &rst
  ixpk= 3231, nxpk= 25, iat=1063,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 969, 970, 971,
 &end
#
#   60 ASN  HA           61 ILE  QG2         7.00    (#   3232:25  Preassigned    6.65, 7.14 A)
 &rst
  ixpk= 3232, nxpk= 25, iat= 951,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 969, 970, 971,
 &end
#
#   59 TYR  HB-          61 ILE  QG2         5.50    (#   3233:25  Preassigned    5.32, 6.24 A)
 &rst
  ixpk= 3233, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 932, 933,
 igr2= 969, 970, 971,
 &end
#
#   45 PHE  HB+          61 ILE  QG2         5.50    (#   3234:25  Preassigned    6.40, 7.86 A)
 &rst
  ixpk= 3234, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 723, 724,
 igr2= 969, 970, 971,
 &end
#
#   45 PHE  HB-          61 ILE  QG2         5.50    (#   3235:25  Preassigned    6.40, 7.86 A)
 &rst
  ixpk= 3235, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 723, 724,
 igr2= 969, 970, 971,
 &end
#
#    0 AMB  25-3:3236    61 ILE  QG2         5.50    (#   3236:25  Single Ambig)
 &rst
  ixpk= 3236, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 932, 933,  11,  12,
 igr2= 969, 970, 971,
 &end
#
#   61 ILE  HG1-         61 ILE  QD1         3.50    (#   3237:25  Preassigned    2.31, 2.62 A)
 &rst
  ixpk= 3237, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 973, 974,
 igr2= 976, 977, 978,
 &end
#
#   50 LEU  QD-          61 ILE  QD1         4.50    (#   3238:25  Preassigned    2.31, 4.62 A)
 &rst
  ixpk= 3238, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 804, 805, 806, 808, 809, 810,
 igr2= 976, 977, 978,
 &end
#
#    0 AMB  25-3:3239    61 ILE  QD1         2.80    (#   3239:25  Single Ambig)
 &rst
  ixpk= 3239, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 895, 896, 897, 899, 900, 901,1070,1071,1072,1074,
      1075,1076,1070,1071,1072,1074,1075,1076,
 igr2= 976, 977, 978,
 &end
#
#   61 ILE  HG1+         61 ILE  QD1         3.50    (#   3240:25  Preassigned    2.31, 2.62 A)
 &rst
  ixpk= 3240, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 973, 974,
 igr2= 976, 977, 978,
 &end
#
#   61 ILE  HB           61 ILE  QD1         3.50    (#   3241:25  Preassigned    2.24, 2.96 A)
 &rst
  ixpk= 3241, nxpk= 25, iat= 967,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 976, 977, 978,
 &end
#
#    1 MET  QE           61 ILE  QD1         5.50    (#   3242:25  Preassigned    5.74, 6.93 A)
 &rst
  ixpk= 3242, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=  15,  16,  17,
 igr2= 976, 977, 978,
 &end
#
#    0 AMB  25-3:3243    61 ILE  QD1         4.50    (#   3243:25  Single Ambig)
 &rst
  ixpk= 3243, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1068, 893,  42,
 igr2= 976, 977, 978,
 &end
#
#   56 LEU  HB+          61 ILE  QD1         4.50    (#   3244:25  Preassigned    3.08, 4.48 A)
 &rst
  ixpk= 3244, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 890, 891,
 igr2= 976, 977, 978,
 &end
#
#   58 ASP  HB-          61 ILE  QD1         5.50    (#   3245:25  Preassigned    5.72, 7.13 A)
 &rst
  ixpk= 3245, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 920, 921,
 igr2= 976, 977, 978,
 &end
#
#   59 TYR  HB+          61 ILE  QD1         3.50    (#   3246:25  Preassigned    1.97, 3.19 A)
 &rst
  ixpk= 3246, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 932, 933,
 igr2= 976, 977, 978,
 &end
#
#   45 PHE  HB-          61 ILE  QD1         4.50    (#   3247:25  Preassigned    3.33, 4.86 A)
 &rst
  ixpk= 3247, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 723, 724,
 igr2= 976, 977, 978,
 &end
#
#   45 PHE  HB+          61 ILE  QD1         4.50    (#   3248:25  Preassigned    3.33, 4.86 A)
 &rst
  ixpk= 3248, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 723, 724,
 igr2= 976, 977, 978,
 &end
#
#   61 ILE  HA           61 ILE  QD1         4.50    (#   3249:25  Preassigned    4.47, 4.65 A)
 &rst
  ixpk= 3249, nxpk= 25, iat= 965,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 976, 977, 978,
 &end
#
#   59 TYR  HB-          61 ILE  QD1         4.50    (#   3250:25  Preassigned    1.97, 3.19 A)
 &rst
  ixpk= 3250, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 932, 933,
 igr2= 976, 977, 978,
 &end
#
#   65 SER  HB-          61 ILE  QD1         5.50    (#   3251:25  Unique         3.97, 5.17 A)
 &rst
  ixpk= 3251, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1040,1041,
 igr2= 976, 977, 978,
 &end
#
#   65 SER  HB+          61 ILE  QD1         5.50    (#   3252:25  Preassigned    3.97, 5.17 A)
 &rst
  ixpk= 3252, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1040,1041,
 igr2= 976, 977, 978,
 &end
#
#   56 LEU  HA           61 ILE  QD1         3.50    (#   3253:25  Preassigned    1.92, 2.80 A)
 &rst
  ixpk= 3253, nxpk= 25, iat= 888,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 976, 977, 978,
 &end
#
#   57 SER  HA           61 ILE  QD1         5.50    (#   3254:25  Preassigned    4.95, 6.00 A)
 &rst
  ixpk= 3254, nxpk= 25, iat= 907,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 976, 977, 978,
 &end
#
#   59 TYR  HA           61 ILE  QD1         5.50    (#   3255:25  Preassigned    4.93, 5.58 A)
 &rst
  ixpk= 3255, nxpk= 25, iat= 930,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 976, 977, 978,
 &end
#
#    0 AMB  25-3:3256    61 ILE  QD1         5.50    (#   3256:25  Single Ambig)
 &rst
  ixpk= 3256, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 721, 874,
 igr2= 976, 977, 978,
 &end
#
#    0 AMB  25-3:3257    61 ILE  QD1         5.50    (#   3257:25  Single Ambig)
 &rst
  ixpk= 3257, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 938, 943,
 igr2= 976, 977, 978,
 &end
#
#    0 AMB  25-3:3258    61 ILE  QD1         3.50    (#   3258:25  Single Ambig)
 &rst
  ixpk= 3258, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 963, 735, 727,
 igr2= 976, 977, 978,
 &end
#
#   45 PHE  HZ           61 ILE  QD1         4.50    (#   3259:25  Preassigned    5.18, 5.84 A)
 &rst
  ixpk= 3259, nxpk= 25, iat= 731,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 976, 977, 978,
 &end
#
#   62 GLN  HN           61 ILE  QD1         5.50    (#   3260:25  Preassigned    6.39, 6.67 A)
 &rst
  ixpk= 3260, nxpk= 25, iat= 982,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 976, 977, 978,
 &end
#
#    0 AMB  25-3:3261    61 ILE  QD1         4.50    (#   3261:25  Single Ambig)
 &rst
  ixpk= 3261, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 886, 949,
 igr2= 976, 977, 978,
 &end
#
#   57 SER  HN           61 ILE  QD1         5.50    (#   3262:25  Preassigned    4.80, 5.86 A)
 &rst
  ixpk= 3262, nxpk= 25, iat= 905,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 976, 977, 978,
 &end
#
#   45 PHE  HN           61 ILE  QD1         5.50    (#   3263:25  Unique         6.33, 7.44 A)
 &rst
  ixpk= 3263, nxpk= 25, iat= 719,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 976, 977, 978,
 &end
#
#    0 AMB  25-3:3264    62 GLN  HA          5.50    (#   3264:25  Single Ambig)
 &rst
  ixpk= 3264, nxpk= 25, iat=  -1, 984, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 994, 995, 963,
 &end
#
#   57 SER  HA           62 GLN  HA          5.50    (#   3265:25  Unique         4.37, 4.47 A)
 &rst
  ixpk= 3265, nxpk= 25, iat= 907, 984, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:3266    62 GLN  HA          4.50    (#   3266:25  Single Ambig)
 &rst
  ixpk= 3266, nxpk= 25, iat=  -1, 984, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1001,1040,1041,
 &end
#
#   61 ILE  HA           62 GLN  HA          5.50    (#   3267:25  Preassigned    4.40, 4.41 A)
 &rst
  ixpk= 3267, nxpk= 25, iat= 965, 984, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   19 PRO  HG-          62 GLN  HA          4.50    (#   3268:25  Preassigned    4.07, 4.86 A)
 &rst
  ixpk= 3268, nxpk= 25, iat=  -1, 984, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 307, 308,
 &end
#
#    0 AMB  25-3:3269    62 GLN  HA          4.50    (#   3269:25  Single Ambig)
 &rst
  ixpk= 3269, nxpk= 25, iat=  -1, 984, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1006,1007,1006,1007,
 &end
#
#    3 ILE  QG2          62 GLN  HA          5.50    (#   3270:25  Preassigned    6.25, 6.50 A)
 &rst
  ixpk= 3270, nxpk= 25, iat=  -1, 984, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  44,  45,  46,
 &end
#
#   61 ILE  QG2          62 GLN  HA          4.50    (#   3271:25  Preassigned    4.00, 4.84 A)
 &rst
  ixpk= 3271, nxpk= 25, iat=  -1, 984, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 969, 970, 971,
 &end
#
#   61 ILE  QG2           0 AMB  25-1:3272   5.50    (#   3272:25  Single Ambig)
 &rst
  ixpk= 3272, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 969, 970, 971,
 igr2= 986, 987, 986, 987,
 &end
#
#   63 LYS  HN           62 GLN  HG+         4.50    (#   3273:25  Preassigned    4.77, 5.31 A)
 &rst
  ixpk= 3273, nxpk= 25, iat= 999,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 989, 990,
 &end
#
#   62 GLN  HN           62 GLN  HG+         4.50    (#   3274:25  Unique         2.36, 3.24 A)
 &rst
  ixpk= 3274, nxpk= 25, iat= 982,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 989, 990,
 &end
#
#    0 AMB  25-3:3275     0 AMB  25-1:3275   7.00    (#   3275:25  Double Ambig)
 &rst
  ixpk= 3275, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
 igr1= 731, 733,
 igr2= 989, 990, 989, 990,
 &end
#
#   62 GLN  HE2+         62 GLN  HG+         4.50    (#   3276:25  Preassigned    2.12, 3.30 A)
 &rst
  ixpk= 3276, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 994, 995,
 igr2= 989, 990,
 &end
#
#   62 GLN  HE2-         62 GLN  HG+         5.50    (#   3277:25  Unique         2.12, 3.30 A)
 &rst
  ixpk= 3277, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 994, 995,
 igr2= 989, 990,
 &end
#
#    0 AMB  25-3:3278     0 AMB  25-1:3278   5.50    (#   3278:25  Double Ambig)
 &rst
  ixpk= 3278, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 965, 953, 954,
 igr2= 989, 990, 989, 990,
 &end
#
#    0 AMB  25-3:3279     0 AMB  25-1:3279   5.50    (#   3279:25  Double Ambig)
 &rst
  ixpk= 3279, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=1006,1007,1006,1007,
 igr2= 989, 990, 989, 990,
 &end
#
#   61 ILE  HB           62 GLN  HG+         5.50    (#   3280:25  Preassigned    5.03, 6.01 A)
 &rst
  ixpk= 3280, nxpk= 25, iat= 967,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 989, 990,
 &end
#
#   61 ILE  QG2          62 GLN  HG+         5.50    (#   3281:25  Preassigned    5.14, 6.70 A)
 &rst
  ixpk= 3281, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 969, 970, 971,
 igr2= 989, 990,
 &end
#
#   30 ILE  QG2          34 GLU  HB+         3.50    (#   3282:25  Unique         2.38, 3.91 A)
 &rst
  ixpk= 3282, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 478, 479, 480,
 igr2= 546, 547,
 &end
#
#   36 ILE  QD1          34 GLU  HB+         3.50    (#   3283:25  Preassigned    2.80, 4.18 A)
 &rst
  ixpk= 3283, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 577, 578, 579,
 igr2= 546, 547,
 &end
#
#    0 AMB  25-3:3284     0 AMB  25-1:3284   4.50    (#   3284:25  Double Ambig)
 &rst
  ixpk= 3284, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 574, 575, 568,
 igr2= 546, 547, 546, 547,
 &end
#
#   60 ASN  HB-          62 GLN  HG-         5.50    (#   3285:25  Preassigned    4.55, 6.08 A)
 &rst
  ixpk= 3285, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 953, 954,
 igr2= 989, 990,
 &end
#
#    0 AMB  25-3:3286    62 GLN  HG-         4.50    (#   3286:25  Single Ambig)
 &rst
  ixpk= 3286, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 965, 953, 954,
 igr2= 989, 990,
 &end
#
#   62 GLN  HA           62 GLN  HG-         4.50    (#   3287:25  Preassigned    2.62, 3.21 A)
 &rst
  ixpk= 3287, nxpk= 25, iat= 984,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 989, 990,
 &end
#
#   34 GLU  HA           34 GLU  HB+         4.50    (#   3288:25  Preassigned    2.48, 2.76 A)
 &rst
  ixpk= 3288, nxpk= 25, iat= 544,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 546, 547,
 &end
#
#   62 GLN  HE2+         62 GLN  HG-         4.50    (#   3289:25  Preassigned    2.12, 3.30 A)
 &rst
  ixpk= 3289, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 994, 995,
 igr2= 989, 990,
 &end
#
#   34 GLU  HN           34 GLU  HB+         4.50    (#   3290:25  Preassigned    2.56, 3.17 A)
 &rst
  ixpk= 3290, nxpk= 25, iat= 542,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 546, 547,
 &end
#
#   64 GLU  HN           63 LYS  HA          3.50    (#   3291:25  Preassigned    2.31, 2.34 A)
 &rst
  ixpk= 3291, nxpk= 25, iat=1021,1001, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    2 GLN  HN           63 LYS  HA          5.50    (#   3292:25  Preassigned    3.28, 3.33 A)
 &rst
  ixpk= 3292, nxpk= 25, iat=  21,1001, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   65 SER  HN           63 LYS  HA          4.50    (#   3293:25  Preassigned    3.81, 3.93 A)
 &rst
  ixpk= 3293, nxpk= 25, iat=1036,1001, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    4 PHE  HE1          63 LYS  HA          7.00    (#   3294:25  Preassigned    7.38, 7.41 A)
 &rst
  ixpk= 3294, nxpk= 25, iat=  67,1001, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    2 GLN  HA           63 LYS  HA          7.00    (#   3295:25  Preassigned    5.09, 5.16 A)
 &rst
  ixpk= 3295, nxpk= 25, iat=  23,1001, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   62 GLN  HA           63 LYS  HA          4.50    (#   3296:25  Preassigned    4.46, 4.47 A)
 &rst
  ixpk= 3296, nxpk= 25, iat= 984,1001, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    3 ILE  HA           63 LYS  HA          4.50    (#   3297:25  Preassigned    4.66, 4.71 A)
 &rst
  ixpk= 3297, nxpk= 25, iat=  40,1001, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   65 SER  HB-          63 LYS  HA          5.50    (#   3298:25  Preassigned    4.26, 5.20 A)
 &rst
  ixpk= 3298, nxpk= 25, iat=  -1,1001, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1040,1041,
 &end
#
#    0 AMB  25-3:3299    63 LYS  HA          5.50    (#   3299:25  Single Ambig)
 &rst
  ixpk= 3299, nxpk= 25, iat=  -1,1001, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1012,1013,1012,1013,
 &end
#
#    1 MET  HG+          63 LYS  HA          4.50    (#   3300:25  Preassigned    1.96, 2.93 A)
 &rst
  ixpk= 3300, nxpk= 25, iat=  -1,1001, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  11,  12,
 &end
#
#   64 GLU  HB-          63 LYS  HA          5.50    (#   3301:25  Preassigned    4.88, 5.42 A)
 &rst
  ixpk= 3301, nxpk= 25, iat=  -1,1001, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1025,1026,
 &end
#
#    0 AMB  25-3:3302    63 LYS  HA          7.00    (#   3302:25  Single Ambig)
 &rst
  ixpk= 3302, nxpk= 25, iat=  -1,1001, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1028,1029,1028,1029,  28,  29,
 &end
#
#   63 LYS  HD+          63 LYS  HA          4.50    (#   3303:25  Unique         4.27, 4.58 A)
 &rst
  ixpk= 3303, nxpk= 25, iat=  -1,1001, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1009,1010,
 &end
#
#    1 MET  QE           63 LYS  HA          4.50    (#   3304:25  Unique         2.15, 3.32 A)
 &rst
  ixpk= 3304, nxpk= 25, iat=  -1,1001, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  15,  16,  17,
 &end
#
#    3 ILE  HG1+         63 LYS  HA          5.50    (#   3305:25  Preassigned    5.26, 5.89 A)
 &rst
  ixpk= 3305, nxpk= 25, iat=  -1,1001, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  48,  49,
 &end
#
#    3 ILE  HG1-         63 LYS  HA          5.50    (#   3306:25  Preassigned    5.26, 5.89 A)
 &rst
  ixpk= 3306, nxpk= 25, iat=  -1,1001, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  48,  49,
 &end
#
#   61 ILE  QG2          63 LYS  HA          5.50    (#   3307:25  Unique         4.35, 5.05 A)
 &rst
  ixpk= 3307, nxpk= 25, iat=  -1,1001, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 969, 970, 971,
 &end
#
#    0 AMB  25-3:3308     0 AMB  25-1:3308   5.50    (#   3308:25  Double Ambig)
 &rst
  ixpk= 3308, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=  11,  12,1025,1026,
 igr2=1003,1004,1003,1004,
 &end
#
#    0 AMB  25-3:3309     0 AMB  25-1:3309   4.50    (#   3309:25  Double Ambig)
 &rst
  ixpk= 3309, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1012,1013,1012,1013,
 igr2=1003,1004,1003,1004,
 &end
#
#    1 MET  HA           63 LYS  HB+         5.50    (#   3310:25  Preassigned    3.83, 4.71 A)
 &rst
  ixpk= 3310, nxpk= 25, iat=   6,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1003,1004,
 &end
#
#    0 AMB  25-3:3311     0 AMB  25-1:3311   3.50    (#   3311:25  Double Ambig)
 &rst
  ixpk= 3311, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 816, 984,
 igr2= 818, 819, 986, 987, 986, 987,
 &end
#
#    2 GLN  HN           63 LYS  HB+         5.50    (#   3312:25  Preassigned    3.24, 4.10 A)
 &rst
  ixpk= 3312, nxpk= 25, iat=  21,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1003,1004,
 &end
#
#   64 GLU  HN           63 LYS  HB+         4.50    (#   3313:25  Preassigned    2.65, 3.08 A)
 &rst
  ixpk= 3313, nxpk= 25, iat=1021,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1003,1004,
 &end
#
#    0 AMB  25-3:3314     0 AMB  25-1:3314   4.50    (#   3314:25  Double Ambig)
 &rst
  ixpk= 3314, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 598, 599, 598, 599,
 igr2= 604, 605, 604, 605,
 &end
#
#   63 LYS  HN            0 AMB  25-1:3315   3.50    (#   3315:25  Single Ambig)
 &rst
  ixpk= 3315, nxpk= 25, iat= 999,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2=1006,1007,1006,1007,
 &end
#
#   65 SER  HN            0 AMB  25-1:3316   5.50    (#   3316:25  Single Ambig)
 &rst
  ixpk= 3316, nxpk= 25, iat=1036,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2=1006,1007,1006,1007,
 &end
#
#   62 GLN  HA            0 AMB  25-1:3317   4.50    (#   3317:25  Single Ambig)
 &rst
  ixpk= 3317, nxpk= 25, iat= 984,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1006,1007,1006,1007,
 &end
#
#    0 AMB  25-3:3318     0 AMB  25-1:3318   5.50    (#   3318:25  Double Ambig)
 &rst
  ixpk= 3318, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=   6,  40,
 igr2=1006,1007,1006,1007,1006,1007,
 &end
#
#   63 LYS  HA            0 AMB  25-1:3319   4.50    (#   3319:25  Single Ambig)
 &rst
  ixpk= 3319, nxpk= 25, iat=1001,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1006,1007,1006,1007,
 &end
#
#    0 AMB  25-3:3320     0 AMB  25-1:3320   5.50    (#   3320:25  Double Ambig)
 &rst
  ixpk= 3320, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.17, r4=10.67,
 igr1=1023, 751, 752, 751, 752,
 igr2=1006,1007,1006,1007, 763, 764, 763, 764,
 &end
#
#    0 AMB  25-3:3321     0 AMB  25-1:3321   3.50    (#   3321:25  Double Ambig)
 &rst
  ixpk= 3321, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1012,1013,1012,1013,1012,1013,
 igr2=1006,1007,1006,1007,1006,1007,
 &end
#
#    0 AMB  25-3:3322     0 AMB  25-1:3322   4.50    (#   3322:25  Double Ambig)
 &rst
  ixpk= 3322, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1025,1026,1025,1026,
 igr2=1006,1007,1006,1007,
 &end
#
#   64 GLU  HB-           0 AMB  25-1:3323   4.50    (#   3323:25  Single Ambig)
 &rst
  ixpk= 3323, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1025,1026,
 igr2=1006,1007,1006,1007,
 &end
#
#    0 AMB  25-3:3324     0 AMB  25-1:3324   7.00    (#   3324:25  Double Ambig)
 &rst
  ixpk= 3324, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.72, r4=13.22,
 igr1=1028,1029,1028,1029,1028,1029,
 igr2=1006,1007,1006,1007,1006,1007,
 &end
#
#    0 AMB  25-3:3325     0 AMB  25-1:3325   3.50    (#   3325:25  Double Ambig)
 &rst
  ixpk= 3325, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1003,1004,   8,   9,
 igr2=1006,1007,1006,1007,1006,1007,
 &end
#
#    0 AMB  25-3:3326     0 AMB  25-1:3326   2.80    (#   3326:25  Double Ambig)
 &rst
  ixpk= 3326, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1009,1010,1009,1010,
 igr2=1006,1007,1006,1007,
 &end
#
#    3 ILE  QG2           0 AMB  25-1:3327   5.50    (#   3327:25  Single Ambig)
 &rst
  ixpk= 3327, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  44,  45,  46,
 igr2=1006,1007,1006,1007,
 &end
#
#    6 LYS  HN            0 AMB  25-1:3328   5.50    (#   3328:25  Single Ambig)
 &rst
  ixpk= 3328, nxpk= 25, iat=  93,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 106, 107, 106, 107,
 &end
#
#   36 ILE  QG2          37 PRO  HB+         5.50    (#   3329:25  Preassigned    4.67, 5.82 A)
 &rst
  ixpk= 3329, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 570, 571, 572,
 igr2= 590, 591,
 &end
#
#   37 PRO  HD-          37 PRO  HB+         4.50    (#   3330:25  Preassigned    2.98, 3.70 A)
 &rst
  ixpk= 3330, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 584, 585,
 igr2= 590, 591,
 &end
#
#    0 AMB  25-3:3331     0 AMB  25-1:3331   4.50    (#   3331:25  Double Ambig)
 &rst
  ixpk= 3331, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52,
 igr1= 319, 566, 613, 625,
 igr2= 310, 311, 590, 591, 590, 591, 590, 591,
 &end
#
#   31 GLN  HE2-         37 PRO  HB+         5.50    (#   3332:25  Preassigned    2.81, 4.28 A)
 &rst
  ixpk= 3332, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 503, 504,
 igr2= 590, 591,
 &end
#
#   31 GLN  HE2+         37 PRO  HB+         5.50    (#   3333:25  Preassigned    2.81, 4.28 A)
 &rst
  ixpk= 3333, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 503, 504,
 igr2= 590, 591,
 &end
#
#   40 GLN  HN           37 PRO  HB+         4.50    (#   3334:25  Preassigned    3.10, 3.95 A)
 &rst
  ixpk= 3334, nxpk= 25, iat= 623,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 590, 591,
 &end
#
#   21 ASP  HN           19 PRO  HB+         7.00    (#   3335:25  Preassigned    5.17, 5.43 A)
 &rst
  ixpk= 3335, nxpk= 25, iat= 328,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 310, 311,
 &end
#
#   39 ASP  HN           37 PRO  HB+         4.50    (#   3336:25  Preassigned    2.68, 3.49 A)
 &rst
  ixpk= 3336, nxpk= 25, iat= 611,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 590, 591,
 &end
#
#    0 AMB  25-3:3337     0 AMB  25-1:3337   4.50    (#   3337:25  Double Ambig)
 &rst
  ixpk= 3337, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 814, 999,
 igr2= 818, 819, 986, 987, 986, 987,
 &end
#
#    0 AMB  25-3:3338     0 AMB  25-1:3338   4.50    (#   3338:25  Double Ambig)
 &rst
  ixpk= 3338, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 611,1151,
 igr2= 590, 591, 661, 662,
 &end
#
#   40 GLN  HN           37 PRO  HB-         4.50    (#   3339:25  Preassigned    3.10, 3.95 A)
 &rst
  ixpk= 3339, nxpk= 25, iat= 623,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 590, 591,
 &end
#
#   31 GLN  HE2+         37 PRO  HB-         5.50    (#   3340:25  Unique         2.81, 4.28 A)
 &rst
  ixpk= 3340, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 503, 504,
 igr2= 590, 591,
 &end
#
#   31 GLN  HE2-         37 PRO  HB-         5.50    (#   3341:25  Preassigned    2.81, 4.28 A)
 &rst
  ixpk= 3341, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 503, 504,
 igr2= 590, 591,
 &end
#
#   37 PRO  HA           37 PRO  HB-         3.50    (#   3342:25  Preassigned    2.30, 2.51 A)
 &rst
  ixpk= 3342, nxpk= 25, iat= 593,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 590, 591,
 &end
#
#    0 AMB  25-3:3343     0 AMB  25-1:3343   4.50    (#   3343:25  Double Ambig)
 &rst
  ixpk= 3343, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 319, 566, 613, 625,
 igr2= 310, 311, 590, 591, 661, 662,
 &end
#
#   37 PRO  HD-          37 PRO  HB-         4.50    (#   3344:25  Preassigned    2.98, 3.70 A)
 &rst
  ixpk= 3344, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 584, 585,
 igr2= 590, 591,
 &end
#
#   39 ASP  HB+          37 PRO  HB-         7.00    (#   3345:25  Preassigned    3.03, 4.90 A)
 &rst
  ixpk= 3345, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 615, 616,
 igr2= 590, 591,
 &end
#
#    0 AMB  25-3:3346     0 AMB  25-1:3346   4.50    (#   3346:25  Double Ambig)
 &rst
  ixpk= 3346, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 584, 585, 907,
 igr2= 590, 591, 310, 311,
 &end
#
#   62 GLN  HA           19 PRO  HB-         3.50    (#   3347:25  Preassigned    2.63, 3.33 A)
 &rst
  ixpk= 3347, nxpk= 25, iat= 984,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 310, 311,
 &end
#
#   32 ASP  HN           31 GLN  HB-         4.50    (#   3348:25  Preassigned    2.78, 3.39 A)
 &rst
  ixpk= 3348, nxpk= 25, iat= 508,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 495, 496,
 &end
#
#   31 GLN  HN           31 GLN  HB-         4.50    (#   3349:25  Preassigned    2.48, 2.53 A)
 &rst
  ixpk= 3349, nxpk= 25, iat= 491,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 495, 496,
 &end
#
#    0 AMB  25-3:3350    37 PRO  HG-         5.50    (#   3350:25  Single Ambig)
 &rst
  ixpk= 3350, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 623, 635, 636,
 igr2= 587, 588,
 &end
#
#    0 AMB  25-3:3351     0 AMB  25-1:3351   5.50    (#   3351:25  Double Ambig)
 &rst
  ixpk= 3351, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 623, 635, 636,
 igr2= 587, 588, 587, 588,
 &end
#
#   31 GLN  HE2+         37 PRO  HG+         4.50    (#   3352:25  Preassigned    4.96, 6.10 A)
 &rst
  ixpk= 3352, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 503, 504,
 igr2= 587, 588,
 &end
#
#   31 GLN  HE2+         37 PRO  HG-         4.50    (#   3353:25  Preassigned    4.96, 6.10 A)
 &rst
  ixpk= 3353, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 503, 504,
 igr2= 587, 588,
 &end
#
#   40 GLN  HE2-         37 PRO  HG-         5.50    (#   3354:25  Preassigned    3.90, 6.13 A)
 &rst
  ixpk= 3354, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 635, 636,
 igr2= 587, 588,
 &end
#
#   40 GLN  HE2-         37 PRO  HG+         5.50    (#   3355:25  Preassigned    3.90, 6.13 A)
 &rst
  ixpk= 3355, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 635, 636,
 igr2= 587, 588,
 &end
#
#   18 GLU  HA           19 PRO  HG+         4.50    (#   3356:25  Preassigned    4.40, 4.44 A)
 &rst
  ixpk= 3356, nxpk= 25, iat= 290,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 307, 308,
 &end
#
#   37 PRO  HA           37 PRO  HG-         4.50    (#   3357:25  Preassigned    3.85, 3.94 A)
 &rst
  ixpk= 3357, nxpk= 25, iat= 593,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 587, 588,
 &end
#
#   37 PRO  HA           37 PRO  HG+         4.50    (#   3358:25  Preassigned    3.85, 3.94 A)
 &rst
  ixpk= 3358, nxpk= 25, iat= 593,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 587, 588,
 &end
#
#    0 AMB  25-3:3359     0 AMB  25-1:3359   4.50    (#   3359:25  Double Ambig)
 &rst
  ixpk= 3359, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 566, 319, 625,
 igr2= 587, 588, 307, 308,
 &end
#
#   36 ILE  HA           37 PRO  HG+         4.50    (#   3360:25  Preassigned    4.25, 4.29 A)
 &rst
  ixpk= 3360, nxpk= 25, iat= 566,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 587, 588,
 &end
#
#   37 PRO  HD+          37 PRO  HG-         3.50    (#   3361:25  Preassigned    2.30, 2.58 A)
 &rst
  ixpk= 3361, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 584, 585,
 igr2= 587, 588,
 &end
#
#   37 PRO  HD+          37 PRO  HG+         3.50    (#   3362:25  Preassigned    2.30, 2.58 A)
 &rst
  ixpk= 3362, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 584, 585,
 igr2= 587, 588,
 &end
#
#   37 PRO  HD-          37 PRO  HG-         3.50    (#   3363:25  Preassigned    2.30, 2.58 A)
 &rst
  ixpk= 3363, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 584, 585,
 igr2= 587, 588,
 &end
#
#   37 PRO  HD-          37 PRO  HG+         3.50    (#   3364:25  Preassigned    2.30, 2.58 A)
 &rst
  ixpk= 3364, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 584, 585,
 igr2= 587, 588,
 &end
#
#    0 AMB  25-3:3365     0 AMB  25-1:3365   3.50    (#   3365:25  Double Ambig)
 &rst
  ixpk= 3365, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 590, 591, 630, 631,
 igr2= 587, 588, 587, 588,
 &end
#
#   36 ILE  QG2          37 PRO  HG-         5.50    (#   3366:25  Preassigned    3.25, 4.64 A)
 &rst
  ixpk= 3366, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 570, 571, 572,
 igr2= 587, 588,
 &end
#
#    0 AMB  25-3:3367     0 AMB  25-1:3367   4.50    (#   3367:25  Double Ambig)
 &rst
  ixpk= 3367, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 598, 599, 598, 599,
 igr2= 587, 588, 587, 588,
 &end
#
#   44 ILE  HN           68 HIS  HB-         5.50    (#   3368:25  Preassigned    3.11, 3.39 A)
 &rst
  ixpk= 3368, nxpk= 25, iat= 700,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1084,1085,
 &end
#
#   44 ILE  HN           68 HIS  HB+         5.50    (#   3369:25  Preassigned    3.11, 3.39 A)
 &rst
  ixpk= 3369, nxpk= 25, iat= 700,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1084,1085,
 &end
#
#   68 HIS  HN           68 HIS  HB+         4.50    (#   3370:25  Preassigned    2.41, 2.93 A)
 &rst
  ixpk= 3370, nxpk= 25, iat=1080,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1084,1085,
 &end
#
#   68 HIS  HN           68 HIS  HB-         4.50    (#   3371:25  Preassigned    2.41, 2.93 A)
 &rst
  ixpk= 3371, nxpk= 25, iat=1080,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1084,1085,
 &end
#
#   69 LEU  HN           68 HIS  HB-         4.50    (#   3372:25  Preassigned    3.46, 4.03 A)
 &rst
  ixpk= 3372, nxpk= 25, iat=1097,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1084,1085,
 &end
#
#   69 LEU  HN           68 HIS  HB+         4.50    (#   3373:25  Preassigned    3.46, 4.03 A)
 &rst
  ixpk= 3373, nxpk= 25, iat=1097,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1084,1085,
 &end
#
#   68 HIS  HD2          68 HIS  HB-         7.00    (#   3374:25  Preassigned    2.69, 3.23 A)
 &rst
  ixpk= 3374, nxpk= 25, iat=1093,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1084,1085,
 &end
#
#   68 HIS  HD2          68 HIS  HB+         7.00    (#   3375:25  Preassigned    2.69, 3.23 A)
 &rst
  ixpk= 3375, nxpk= 25, iat=1093,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1084,1085,
 &end
#
#   68 HIS  HA           68 HIS  HB-         4.50    (#   3376:25  Preassigned    2.74, 2.85 A)
 &rst
  ixpk= 3376, nxpk= 25, iat=1082,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1084,1085,
 &end
#
#   68 HIS  HA           68 HIS  HB+         4.50    (#   3377:25  Preassigned    2.74, 2.85 A)
 &rst
  ixpk= 3377, nxpk= 25, iat=1082,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1084,1085,
 &end
#
#   67 LEU  HA           68 HIS  HB+         5.50    (#   3378:25  Preassigned    4.01, 4.77 A)
 &rst
  ixpk= 3378, nxpk= 25, iat=1063,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1084,1085,
 &end
#
#   67 LEU  HA           68 HIS  HB-         5.50    (#   3379:25  Preassigned    4.01, 4.77 A)
 &rst
  ixpk= 3379, nxpk= 25, iat=1063,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1084,1085,
 &end
#
#   44 ILE  HB           68 HIS  HB+         4.50    (#   3380:25  Preassigned    1.85, 2.28 A)
 &rst
  ixpk= 3380, nxpk= 25, iat= 704,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1084,1085,
 &end
#
#   44 ILE  HB           68 HIS  HB-         4.50    (#   3381:25  Preassigned    1.85, 2.28 A)
 &rst
  ixpk= 3381, nxpk= 25, iat= 704,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1084,1085,
 &end
#
#    0 AMB  25-3:3382    68 HIS  HB-         5.50    (#   3382:25  Single Ambig)
 &rst
  ixpk= 3382, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 710, 711,  97,  98,
 igr2=1084,1085,
 &end
#
#    0 AMB  25-3:3383     0 AMB  25-1:3383   5.50    (#   3383:25  Double Ambig)
 &rst
  ixpk= 3383, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 710, 711,  97,  98,
 igr2=1084,1085,1084,1085,
 &end
#
#    0 AMB  25-3:3384    68 HIS  HB-         4.50    (#   3384:25  Single Ambig)
 &rst
  ixpk= 3384, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1122,1123,1124,1126,1127,1128, 710, 711,
 igr2=1084,1085,
 &end
#
#    0 AMB  25-3:3385     0 AMB  25-1:3385   4.50    (#   3385:25  Double Ambig)
 &rst
  ixpk= 3385, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52,
 igr1=1122,1123,1124,1126,1127,1128, 710, 711,
 igr2=1084,1085,1084,1085,
 &end
#
#   70 VAL  QG+          68 HIS  HB+         4.50    (#   3386:25  Preassigned    3.03, 5.78 A)
 &rst
  ixpk= 3386, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1122,1123,1124,1126,1127,1128,
 igr2=1084,1085,
 &end
#
#   70 VAL  QG+          68 HIS  HB-         4.50    (#   3387:25  Preassigned    3.03, 5.78 A)
 &rst
  ixpk= 3387, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1122,1123,1124,1126,1127,1128,
 igr2=1084,1085,
 &end
#
#   44 ILE  QG2          68 HIS  HB-         4.50    (#   3388:25  Unique         1.98, 3.55 A)
 &rst
  ixpk= 3388, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 706, 707, 708,
 igr2=1084,1085,
 &end
#
#   44 ILE  QG2          68 HIS  HB+         4.50    (#   3389:25  Unique         1.98, 3.55 A)
 &rst
  ixpk= 3389, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 706, 707, 708,
 igr2=1084,1085,
 &end
#
#    0 AMB  25-3:3390    68 HIS  HA          3.50    (#   3390:25  Single Ambig)
 &rst
  ixpk= 3390, nxpk= 25, iat=  -1,1082, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1=  83,  84,  85,  87,  88,  89,  83,  84,  85,  87,
        88,  89, 706, 707, 708,
 &end
#
#    0 AMB  25-3:3391    68 HIS  HA          5.50    (#   3391:25  Single Ambig)
 &rst
  ixpk= 3391, nxpk= 25, iat=  -1,1082, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=1122,1123,1124,1126,1127,1128,1106,1107,1108,1110,
      1111,1112, 690, 691, 692, 694, 695, 696, 690, 691,
       692, 694, 695, 696,
 &end
#
#   66 THR  QG2          68 HIS  HA          4.50    (#   3392:25  Preassigned    4.91, 5.75 A)
 &rst
  ixpk= 3392, nxpk= 25, iat=  -1,1082, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1053,1054,1055,
 &end
#
#    8 LEU  QD+          68 HIS  HA          5.50    (#   3393:25  Unique         4.14, 6.96 A)
 &rst
  ixpk= 3393, nxpk= 25, iat=  -1,1082, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#   69 LEU  HB+          68 HIS  HA          4.50    (#   3394:25  Preassigned    4.31, 4.56 A)
 &rst
  ixpk= 3394, nxpk= 25, iat=  -1,1082, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1101,1102,
 &end
#
#    6 LYS  HB+          68 HIS  HA          4.50    (#   3395:25  Preassigned    3.18, 3.98 A)
 &rst
  ixpk= 3395, nxpk= 25, iat=  -1,1082, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  97,  98,
 &end
#
#    0 AMB  25-3:3396    68 HIS  HA          3.50    (#   3396:25  Single Ambig)
 &rst
  ixpk= 3396, nxpk= 25, iat=  -1,1082, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1065,1066,1101,1102, 103, 104, 103, 104,
 &end
#
#    0 AMB  25-3:3397    68 HIS  HA          4.50    (#   3397:25  Single Ambig)
 &rst
  ixpk= 3397, nxpk= 25, iat=  -1,1082, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 704,1068,
 &end
#
#   68 HIS  HB-          68 HIS  HA          3.50    (#   3398:25  Preassigned    2.74, 2.85 A)
 &rst
  ixpk= 3398, nxpk= 25, iat=  -1,1082, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1084,1085,
 &end
#
#   68 HIS  HB+          68 HIS  HA          3.50    (#   3399:25  Preassigned    2.74, 2.85 A)
 &rst
  ixpk= 3399, nxpk= 25, iat=  -1,1082, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1084,1085,
 &end
#
#    5 VAL  HA           68 HIS  HA          4.50    (#   3400:25  Preassigned    4.01, 4.17 A)
 &rst
  ixpk= 3400, nxpk= 25, iat=  79,1082, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   68 HIS  HD2          68 HIS  HA          7.00    (#   3401:25  Preassigned    3.12, 3.96 A)
 &rst
  ixpk= 3401, nxpk= 25, iat=1093,1082, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   69 LEU  HN           68 HIS  HA          3.50    (#   3402:25  Preassigned    2.14, 2.15 A)
 &rst
  ixpk= 3402, nxpk= 25, iat=1097,1082, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    6 LYS  HN           68 HIS  HA          3.50    (#   3403:25  Preassigned    3.17, 3.35 A)
 &rst
  ixpk= 3403, nxpk= 25, iat=  93,1082, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:3404    68 HIS  HA          5.50    (#   3404:25  Single Ambig)
 &rst
  ixpk= 3404, nxpk= 25, iat=  -1,1082, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1061,  77,
 &end
#
#   36 ILE  HN           36 ILE  HG1+        4.50    (#   3405:25  Preassigned    2.49, 3.17 A)
 &rst
  ixpk= 3405, nxpk= 25, iat= 564,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 574, 575,
 &end
#
#   36 ILE  HN           36 ILE  HG1-        3.50    (#   3406:25  Preassigned    2.49, 3.17 A)
 &rst
  ixpk= 3406, nxpk= 25, iat= 564,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 574, 575,
 &end
#
#   35 GLY  HN           36 ILE  HG1-        5.50    (#   3407:25  Unique         4.11, 4.93 A)
 &rst
  ixpk= 3407, nxpk= 25, iat= 557,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 574, 575,
 &end
#
#   50 LEU  HN           43 LEU  HG          5.50    (#   3408:25  Preassigned    5.50, 5.64 A)
 &rst
  ixpk= 3408, nxpk= 25, iat= 795, 688, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   34 GLU  HA           36 ILE  HG1-        5.50    (#   3409:25  Preassigned    4.80, 5.73 A)
 &rst
  ixpk= 3409, nxpk= 25, iat= 544,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 574, 575,
 &end
#
#   36 ILE  HA           36 ILE  HG1-        4.50    (#   3410:25  Preassigned    2.60, 2.81 A)
 &rst
  ixpk= 3410, nxpk= 25, iat= 566,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 574, 575,
 &end
#
#    0 AMB  25-3:3411     0 AMB  25-1:3411   5.50    (#   3411:25  Double Ambig)
 &rst
  ixpk= 3411, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 584, 585,  40,
 igr2= 574, 575, 245,
 &end
#
#   37 PRO  HD+          36 ILE  HG1+        5.50    (#   3412:25  Preassigned    3.71, 4.58 A)
 &rst
  ixpk= 3412, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 584, 585,
 igr2= 574, 575,
 &end
#
#   35 GLY  HA+          36 ILE  HG1+        7.00    (#   3413:25  Preassigned    3.95, 4.93 A)
 &rst
  ixpk= 3413, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 559, 560,
 igr2= 574, 575,
 &end
#
#   31 GLN  HA           36 ILE  HG1-        5.50    (#   3414:25  Preassigned    4.42, 5.05 A)
 &rst
  ixpk= 3414, nxpk= 25, iat= 493,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 574, 575,
 &end
#
#    0 AMB  25-3:3415     0 AMB  25-1:3415   5.50    (#   3415:25  Double Ambig)
 &rst
  ixpk= 3415, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 584, 585, 474,
 igr2= 574, 575, 215, 216,
 &end
#
#   37 PRO  HD-          36 ILE  HG1-        5.50    (#   3416:25  Unique         3.71, 4.58 A)
 &rst
  ixpk= 3416, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 584, 585,
 igr2= 574, 575,
 &end
#
#   34 GLU  HB+          36 ILE  HG1-        4.50    (#   3417:25  Preassigned    2.93, 4.07 A)
 &rst
  ixpk= 3417, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 546, 547,
 igr2= 574, 575,
 &end
#
#   36 ILE  QG2          36 ILE  HG1-        3.50    (#   3418:25  Preassigned    2.28, 3.46 A)
 &rst
  ixpk= 3418, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 570, 571, 572,
 igr2= 574, 575,
 &end
#
#    0 AMB  25-3:3419     0 AMB  25-1:3419   3.50    (#   3419:25  Double Ambig)
 &rst
  ixpk= 3419, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1= 247, 248, 249, 251, 252, 253, 577, 578, 579,
 igr2= 245, 574, 575,
 &end
#
#    0 AMB  25-3:3420     0 AMB  25-1:3420   5.50    (#   3420:25  Double Ambig)
 &rst
  ixpk= 3420, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 549, 550, 587, 588, 264, 265,
 igr2= 574, 575, 245,
 &end
#
#   25 ASN  HN            0 AMB  25-1:3421   4.50    (#   3421:25  Single Ambig)
 &rst
  ixpk= 3421, nxpk= 25, iat= 388,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 380, 381, 380, 381,
 &end
#
#   24 GLU  HA            0 AMB  25-1:3422   4.50    (#   3422:25  Single Ambig)
 &rst
  ixpk= 3422, nxpk= 25, iat= 375,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 380, 381, 380, 381,
 &end
#
#   29 LYS  HE+          17 VAL  HB          5.50    (#   3423:25  Preassigned    5.02, 5.71 A)
 &rst
  ixpk= 3423, nxpk= 25, iat=  -1, 276, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 463, 464,
 &end
#
#   21 ASP  HB-          17 VAL  HB          5.50    (#   3424:25  Unique         3.31, 3.75 A)
 &rst
  ixpk= 3424, nxpk= 25, iat=  -1, 276, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 332, 333,
 &end
#
#   26 VAL  QG+          17 VAL  HB          4.50    (#   3425:25  Preassigned    3.75, 5.42 A)
 &rst
  ixpk= 3425, nxpk= 25, iat=  -1, 276, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 408, 409, 410, 412, 413, 414,
 &end
#
#    3 ILE  QD1          17 VAL  HB          4.50    (#   3426:25  Preassigned    4.44, 5.19 A)
 &rst
  ixpk= 3426, nxpk= 25, iat=  -1, 276, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  51,  52,  53,
 &end
#
#    0 AMB  25-3:3427     0 AMB  25-1:3427   5.50    (#   3427:25  Double Ambig)
 &rst
  ixpk= 3427, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 402, 829,
 igr2= 377, 378, 377, 378, 377, 378,
 &end
#
#   52 ASP  HB-           0 AMB  25-1:3428   5.50    (#   3428:25  Single Ambig)
 &rst
  ixpk= 3428, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 833, 834,
 igr2= 377, 378, 377, 378,
 &end
#
#    0 AMB  25-3:3429     0 AMB  25-1:3429   3.50    (#   3429:25  Double Ambig)
 &rst
  ixpk= 3429, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 380, 381, 380, 381, 380, 381,
 igr2= 377, 378, 377, 378, 377, 378,
 &end
#
#   23 ILE  QG2          24 GLU  HA          4.50    (#   3430:25  Preassigned    3.81, 4.81 A)
 &rst
  ixpk= 3430, nxpk= 25, iat=  -1, 375, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 360, 361, 362,
 &end
#
#    0 AMB  25-3:3431    24 GLU  HA          4.50    (#   3431:25  Single Ambig)
 &rst
  ixpk= 3431, nxpk= 25, iat=  -1, 375, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 425, 426, 422, 423,
 &end
#
#   27 LYS  HD-          24 GLU  HA          3.50    (#   3432:25  Preassigned    3.35, 4.29 A)
 &rst
  ixpk= 3432, nxpk= 25, iat=  -1, 375, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 428, 429,
 &end
#
#   52 ASP  HB+          24 GLU  HA          4.50    (#   3433:25  Unique         1.87, 2.65 A)
 &rst
  ixpk= 3433, nxpk= 25, iat=  -1, 375, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 833, 834,
 &end
#
#    0 AMB  25-3:3434    24 GLU  HA          7.00    (#   3434:25  Single Ambig)
 &rst
  ixpk= 3434, nxpk= 25, iat=  -1, 375, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 607, 442,
 &end
#
#   52 ASP  HA           24 GLU  HA          5.50    (#   3435:25  Preassigned    2.86, 2.93 A)
 &rst
  ixpk= 3435, nxpk= 25, iat= 831, 375, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:3436    24 GLU  HA          5.50    (#   3436:25  Single Ambig)
 &rst
  ixpk= 3436, nxpk= 25, iat=  -1, 375, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 390, 420,
 &end
#
#   22 THR  HB           24 GLU  HA          7.00    (#   3437:25  Preassigned    4.96, 4.99 A)
 &rst
  ixpk= 3437, nxpk= 25, iat= 344, 375, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  25-3:3438    24 GLU  HA          4.50    (#   3438:25  Single Ambig)
 &rst
  ixpk= 3438, nxpk= 25, iat=  -1, 375, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 388, 440,
 &end
#
#   26 VAL  HN           24 GLU  HA          5.50    (#   3439:25  Preassigned    4.46, 4.48 A)
 &rst
  ixpk= 3439, nxpk= 25, iat= 402, 375, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   27 LYS  HN           24 GLU  HA          4.50    (#   3440:25  Preassigned    3.66, 3.70 A)
 &rst
  ixpk= 3440, nxpk= 25, iat= 418, 375, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   20 SER  HN           18 GLU  HG-         5.50    (#   3442:25  Preassigned    2.76, 4.10 A)
 &rst
  ixpk= 3442, nxpk= 25, iat= 317,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 295, 296,
 &end
#
#   21 ASP  HN           18 GLU  HG-         5.50    (#   3443:25  Preassigned    2.20, 3.97 A)
 &rst
  ixpk= 3443, nxpk= 25, iat= 328,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 295, 296,
 &end
#
#   18 GLU  HN           18 GLU  HG-         4.50    (#   3444:25  Preassigned    1.89, 2.82 A)
 &rst
  ixpk= 3444, nxpk= 25, iat= 288,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 295, 296,
 &end
#
#   18 GLU  HA           18 GLU  HG-         4.50    (#   3445:25  Preassigned    2.47, 3.64 A)
 &rst
  ixpk= 3445, nxpk= 25, iat= 290,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 295, 296,
 &end
#
#   17 VAL  HA           18 GLU  HG-         5.50    (#   3446:25  Preassigned    3.33, 4.57 A)
 &rst
  ixpk= 3446, nxpk= 25, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 295, 296,
 &end
#
#   19 PRO  HD+          18 GLU  HG-         4.50    (#   3447:25  Preassigned    2.00, 4.97 A)
 &rst
  ixpk= 3447, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 304, 305,
 igr2= 295, 296,
 &end
#
#   19 PRO  HD-          18 GLU  HG-         4.50    (#   3448:25  Unique         2.00, 4.97 A)
 &rst
  ixpk= 3448, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 304, 305,
 igr2= 295, 296,
 &end
#
#    0 AMB  25-3:3449     0 AMB  25-1:3449   5.50    (#   3449:25  Double Ambig)
 &rst
  ixpk= 3449, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 332, 333, 667, 668, 667, 668,
 igr2= 295, 296, 785, 786, 785, 786,
 &end
#
#    0 AMB  25-3:3450     0 AMB  25-1:3450   5.50    (#   3450:25  Double Ambig)
 &rst
  ixpk= 3450, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 723, 724, 723, 724,
 igr2= 785, 786, 785, 786,
 &end
#
#   15 LEU  HG           16 GLU  HG+         7.00    (#   3451:25  Preassigned    6.52, 6.57 A)
 &rst
  ixpk= 3451, nxpk= 25, iat= 245,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 264, 265,
 &end
#
#    1 MET  HG+          18 GLU  HG-         5.50    (#   3452:25  Preassigned    4.37, 7.02 A)
 &rst
  ixpk= 3452, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  11,  12,
 igr2= 295, 296,
 &end
#
#   29 LYS  HE+          18 GLU  HG-         7.00    (#   3453:25  Preassigned    5.88, 7.44 A)
 &rst
  ixpk= 3453, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 463, 464,
 igr2= 295, 296,
 &end
#
#   60 ASN  HN           57 SER  HA          4.50    (#   3454:25  Preassigned    3.47, 3.49 A)
 &rst
  ixpk= 3454, nxpk= 25, iat= 949, 907, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:3455     0 AMB  25-1:3455   5.50    (#   3455:25  Double Ambig)
 &rst
  ixpk= 3455, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=1006,1007,1006,1007,
 igr2=1025,1026,1025,1026,
 &end
#
#    0 AMB  25-3:3456    64 GLU  HB-         5.50    (#   3456:25  Single Ambig)
 &rst
  ixpk= 3456, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1006,1007,1006,1007,
 igr2=1025,1026,
 &end
#
#   64 GLU  HA           64 GLU  HB+         4.50    (#   3457:25  Preassigned    2.43, 2.74 A)
 &rst
  ixpk= 3457, nxpk= 25, iat=1023,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1025,1026,
 &end
#
#   64 GLU  HA           64 GLU  HB-         4.50    (#   3458:25  Preassigned    2.43, 2.74 A)
 &rst
  ixpk= 3458, nxpk= 25, iat=1023,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1025,1026,
 &end
#
#    4 PHE  HD1          64 GLU  HB+         5.50    (#   3459:25  Preassigned    4.67, 5.36 A)
 &rst
  ixpk= 3459, nxpk= 25, iat=  65,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1025,1026,
 &end
#
#    4 PHE  HE1          64 GLU  HB+         4.50    (#   3460:25  Preassigned    2.41, 3.24 A)
 &rst
  ixpk= 3460, nxpk= 25, iat=  67,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1025,1026,
 &end
#
#    4 PHE  HE1          64 GLU  HB-         4.50    (#   3461:25  Preassigned    2.41, 3.24 A)
 &rst
  ixpk= 3461, nxpk= 25, iat=  67,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1025,1026,
 &end
#
#   64 GLU  HN           64 GLU  HB+         5.50    (#   3462:25  Preassigned    3.39, 3.68 A)
 &rst
  ixpk= 3462, nxpk= 25, iat=1021,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1025,1026,
 &end
#
#   64 GLU  HN           64 GLU  HB-         5.50    (#   3463:25  Preassigned    3.39, 3.68 A)
 &rst
  ixpk= 3463, nxpk= 25, iat=1021,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1025,1026,
 &end
#
#   66 THR  HN           65 SER  HB+         4.50    (#   3464:25  Preassigned    2.54, 3.65 A)
 &rst
  ixpk= 3464, nxpk= 25, iat=1047,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1040,1041,
 &end
#
#   66 THR  HN           65 SER  HB-         4.50    (#   3465:25  Preassigned    2.54, 3.65 A)
 &rst
  ixpk= 3465, nxpk= 25, iat=1047,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1040,1041,
 &end
#
#   65 SER  HN           65 SER  HB+         4.50    (#   3466:25  Preassigned    2.32, 2.83 A)
 &rst
  ixpk= 3466, nxpk= 25, iat=1036,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1040,1041,
 &end
#
#   62 GLN  HN           65 SER  HB+         4.50    (#   3467:25  Preassigned    4.13, 4.70 A)
 &rst
  ixpk= 3467, nxpk= 25, iat= 982,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1040,1041,
 &end
#
#   45 PHE  HE1          65 SER  HB-         4.50    (#   3468:25  Preassigned    3.50, 4.46 A)
 &rst
  ixpk= 3468, nxpk= 25, iat= 729,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1040,1041,
 &end
#
#   62 GLN  HN           65 SER  HB-         4.50    (#   3469:25  Preassigned    4.13, 4.70 A)
 &rst
  ixpk= 3469, nxpk= 25, iat= 982,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1040,1041,
 &end
#
#   45 PHE  HE1          65 SER  HB+         4.50    (#   3470:25  Preassigned    3.50, 4.46 A)
 &rst
  ixpk= 3470, nxpk= 25, iat= 729,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1040,1041,
 &end
#
#   65 SER  HG           65 SER  HB-         5.50    (#   3471:25  Unique         2.18, 2.61 A)
 &rst
  ixpk= 3471, nxpk= 25, iat=1043,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1040,1041,
 &end
#
#   65 SER  HG           65 SER  HB+         5.50    (#   3472:25  Unique         2.18, 2.61 A)
 &rst
  ixpk= 3472, nxpk= 25, iat=1043,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1040,1041,
 &end
#
#   65 SER  HA           65 SER  HB-         4.50    (#   3473:25  Preassigned    2.76, 2.85 A)
 &rst
  ixpk= 3473, nxpk= 25, iat=1038,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1040,1041,
 &end
#
#   65 SER  HA           65 SER  HB+         4.50    (#   3474:25  Preassigned    2.76, 2.85 A)
 &rst
  ixpk= 3474, nxpk= 25, iat=1038,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1040,1041,
 &end
#
#    3 ILE  HA           65 SER  HB-         7.00    (#   3475:25  Preassigned    3.66, 4.06 A)
 &rst
  ixpk= 3475, nxpk= 25, iat=  40,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1040,1041,
 &end
#
#    0 AMB  25-3:3476    65 SER  HB-         5.50    (#   3476:25  Single Ambig)
 &rst
  ixpk= 3476, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 965,1023,
 igr2=1040,1041,
 &end
#
#    0 AMB  25-3:3477     0 AMB  25-1:3477   5.50    (#   3477:25  Double Ambig)
 &rst
  ixpk= 3477, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 965,1023,
 igr2=1040,1041,1040,1041,
 &end
#
#    3 ILE  QG2          65 SER  HB+         4.50    (#   3478:25  Unique         1.96, 2.84 A)
 &rst
  ixpk= 3478, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  44,  45,  46,
 igr2=1040,1041,
 &end
#
#    3 ILE  QG2          65 SER  HB-         4.50    (#   3479:25  Unique         1.96, 2.84 A)
 &rst
  ixpk= 3479, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  44,  45,  46,
 igr2=1040,1041,
 &end
#
#   61 ILE  QG2          65 SER  HB+         4.50    (#   3480:25  Preassigned    1.94, 2.77 A)
 &rst
  ixpk= 3480, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 969, 970, 971,
 igr2=1040,1041,
 &end
#
#    0 AMB  25-3:3481    66 THR  HA          4.50    (#   3481:25  Single Ambig)
 &rst
  ixpk= 3481, nxpk= 25, iat=  -1,1049, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=  83,  84,  85,  87,  88,  89,  83,  84,  85,  87,
        88,  89,1070,1071,1072,1074,1075,1076,
 &end
#
#   66 THR  QG2          66 THR  HA          3.50    (#   3482:25  Preassigned    2.57, 3.13 A)
 &rst
  ixpk= 3482, nxpk= 25, iat=  -1,1049, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1053,1054,1055,
 &end
#
#    0 AMB  25-3:3483    66 THR  HA          5.50    (#   3483:25  Single Ambig)
 &rst
  ixpk= 3483, nxpk= 25, iat=  -1,1049, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 197, 198, 199, 973, 974,
 &end
#
#    0 AMB  25-3:3484    66 THR  HA          4.50    (#   3484:25  Single Ambig)
 &rst
  ixpk= 3484, nxpk= 25, iat=  -1,1049, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1065,1066,  97,  98, 103, 104,
 &end
#
#    0 AMB  25-3:3485    66 THR  HA          4.50    (#   3485:25  Single Ambig)
 &rst
  ixpk= 3485, nxpk= 25, iat=  -1,1049, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1065,1066,  42,
 &end
#
#    4 PHE  HB+          66 THR  HA          4.50    (#   3486:25  Preassigned    2.05, 3.05 A)
 &rst
  ixpk= 3486, nxpk= 25, iat=  -1,1049, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  61,  62,
 &end
#
#    4 PHE  HB-          66 THR  HA          3.50    (#   3487:25  Preassigned    2.05, 3.05 A)
 &rst
  ixpk= 3487, nxpk= 25, iat=  -1,1049, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  61,  62,
 &end
#
#   66 THR  HB           66 THR  HA          4.50    (#   3488:25  Preassigned    3.02, 3.02 A)
 &rst
  ixpk= 3488, nxpk= 25, iat=1051,1049, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   65 SER  HA           66 THR  HA          5.50    (#   3489:25  Preassigned    4.37, 4.40 A)
 &rst
  ixpk= 3489, nxpk= 25, iat=1038,1049, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    5 VAL  HA           66 THR  HA          4.50    (#   3490:25  Preassigned    4.08, 4.16 A)
 &rst
  ixpk= 3490, nxpk= 25, iat=  79,1049, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    4 PHE  HA           66 THR  HA          4.50    (#   3491:25  Preassigned    4.27, 4.36 A)
 &rst
  ixpk= 3491, nxpk= 25, iat=  59,1049, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    4 PHE  HD1          66 THR  HA          4.50    (#   3492:25  Preassigned    2.81, 3.04 A)
 &rst
  ixpk= 3492, nxpk= 25, iat=  65,1049, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    4 PHE  HN           66 THR  HA          3.50    (#   3493:25  Preassigned    2.89, 2.97 A)
 &rst
  ixpk= 3493, nxpk= 25, iat=  57,1049, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   66 THR  HN           66 THR  HA          4.50    (#   3494:25  Preassigned    2.90, 2.92 A)
 &rst
  ixpk= 3494, nxpk= 25, iat=1047,1049, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   67 LEU  HN           66 THR  HA          3.50    (#   3495:25  Preassigned    2.15, 2.19 A)
 &rst
  ixpk= 3495, nxpk= 25, iat=1061,1049, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   61 ILE  HG1-         61 ILE  HA          3.50    (#   3496:25  Preassigned    2.60, 2.73 A)
 &rst
  ixpk= 3496, nxpk= 25, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 973, 974,
 &end
#
#    7 THR  HA            8 LEU  QD+         5.50    (#   3497:25  Preassigned    4.19, 6.31 A)
 &rst
  ixpk= 3497, nxpk= 25, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#    8 LEU  HN            8 LEU  QD+         4.50    (#   3498:25  Preassigned    2.97, 4.62 A)
 &rst
  ixpk= 3498, nxpk= 25, iat= 129,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#   71 LEU  HN            8 LEU  QD+         5.50    (#   3499:25  Preassigned    3.98, 6.37 A)
 &rst
  ixpk= 3499, nxpk= 25, iat=1132,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#    9 THR  HN            8 LEU  QD+         5.50    (#   3500:25  Preassigned    4.85, 6.05 A)
 &rst
  ixpk= 3500, nxpk= 25, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#   68 HIS  HD2           8 LEU  QD+         4.50    (#   3505:25  Unique         1.88, 4.08 A)
 &rst
  ixpk= 3505, nxpk= 25, iat=1093,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#    8 LEU  HA            8 LEU  QD+         3.50    (#   3507:25  Preassigned    1.87, 3.53 A)
 &rst
  ixpk= 3507, nxpk= 25, iat= 131,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#   68 HIS  HB+           8 LEU  QD+         4.50    (#   3510:25  Preassigned    3.20, 6.28 A)
 &rst
  ixpk= 3510, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1084,1085,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#    8 LEU  HG            8 LEU  QD+         3.50    (#   3511:25  Preassigned    2.21, 2.63 A)
 &rst
  ixpk= 3511, nxpk= 25, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#    0 AMB  25-3:3512     0 AMB  25-1:3512   3.50    (#   3512:25  Double Ambig)
 &rst
  ixpk= 3512, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 133, 134, 133, 134,
 igr2= 138, 139, 140, 142, 143, 144, 138, 139, 140, 142,
       143, 144,
 &end
#
#   44 ILE  HB            8 LEU  QD+         4.50    (#   3513:25  Unique         4.71, 6.19 A)
 &rst
  ixpk= 3513, nxpk= 25, iat= 704,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#   70 VAL  QG-           8 LEU  QD+         3.50    (#   3515:25  Preassigned    1.90, 5.39 A)
 &rst
  ixpk= 3515, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1122,1123,1124,1126,1127,1128,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#   44 ILE  QD1           8 LEU  QD+         3.50    (#   3517:25  Unique         3.47, 5.82 A)
 &rst
  ixpk= 3517, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 713, 714, 715,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#   67 LEU  HN           67 LEU  QD-         3.50    (#   3518:25  Preassigned    3.58, 4.89 A)
 &rst
  ixpk= 3518, nxpk= 25, iat=1061,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1070,1071,1072,1074,1075,1076,
 &end
#
#   68 HIS  HN           67 LEU  QD-         4.50    (#   3519:25  Preassigned    3.36, 4.37 A)
 &rst
  ixpk= 3519, nxpk= 25, iat=1080,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1070,1071,1072,1074,1075,1076,
 &end
#
#    0 AMB  25-3:3520    67 LEU  QD-         4.50    (#   3520:25  Single Ambig)
 &rst
  ixpk= 3520, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 795,  57,
 igr2=1070,1071,1072,1074,1075,1076,
 &end
#
#   65 SER  HN           67 LEU  QD-         5.50    (#   3521:25  Preassigned    6.24, 7.83 A)
 &rst
  ixpk= 3521, nxpk= 25, iat=1036,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1070,1071,1072,1074,1075,1076,
 &end
#
#   45 PHE  HE1          67 LEU  QD-         4.50    (#   3522:25  Preassigned    3.27, 5.77 A)
 &rst
  ixpk= 3522, nxpk= 25, iat= 729,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1070,1071,1072,1074,1075,1076,
 &end
#
#   45 PHE  HD1          67 LEU  QD-         4.50    (#   3523:25  Preassigned    1.99, 4.46 A)
 &rst
  ixpk= 3523, nxpk= 25, iat= 727,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1070,1071,1072,1074,1075,1076,
 &end
#
#   45 PHE  HA           67 LEU  QD-         5.50    (#   3524:25  Unique         2.96, 5.36 A)
 &rst
  ixpk= 3524, nxpk= 25, iat= 721,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1070,1071,1072,1074,1075,1076,
 &end
#
#   66 THR  HA           67 LEU  QD-         4.50    (#   3525:25  Preassigned    5.10, 6.65 A)
 &rst
  ixpk= 3525, nxpk= 25, iat=1049,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1070,1071,1072,1074,1075,1076,
 &end
#
#   67 LEU  HA           67 LEU  QD-         4.50    (#   3526:25  Preassigned    1.98, 3.70 A)
 &rst
  ixpk= 3526, nxpk= 25, iat=1063,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1070,1071,1072,1074,1075,1076,
 &end
#
#    5 VAL  HA           67 LEU  QD-         5.50    (#   3527:25  Preassigned    4.30, 5.48 A)
 &rst
  ixpk= 3527, nxpk= 25, iat=  79,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1070,1071,1072,1074,1075,1076,
 &end
#
#    0 AMB  25-3:3528    67 LEU  QD-         5.50    (#   3528:25  Single Ambig)
 &rst
  ixpk= 3528, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 888,1051,
 igr2=1070,1071,1072,1074,1075,1076,
 &end
#
#   65 SER  HB+          67 LEU  QD-         4.50    (#   3529:25  Preassigned    3.30, 5.85 A)
 &rst
  ixpk= 3529, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1040,1041,
 igr2=1070,1071,1072,1074,1075,1076,
 &end
#
#   65 SER  HB-          67 LEU  QD-         4.50    (#   3530:25  Preassigned    3.30, 5.85 A)
 &rst
  ixpk= 3530, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1040,1041,
 igr2=1070,1071,1072,1074,1075,1076,
 &end
#
#   67 LEU  HG           67 LEU  QD-         2.80    (#   3531:25  Preassigned    2.24, 2.63 A)
 &rst
  ixpk= 3531, nxpk= 25, iat=1068,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1070,1071,1072,1074,1075,1076,
 &end
#
#    0 AMB  25-3:3532    67 LEU  QD-         3.50    (#   3532:25  Single Ambig)
 &rst
  ixpk= 3532, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1065,1066, 685, 686,
 igr2=1070,1071,1072,1074,1075,1076,
 &end
#
#   61 ILE  QD1          67 LEU  QD-         2.80    (#   3533:25  Unique         2.11, 4.07 A)
 &rst
  ixpk= 3533, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 976, 977, 978,
 igr2=1070,1071,1072,1074,1075,1076,
 &end
#
#   69 LEU  QD-          69 LEU  HA          3.50    (#   3534:25  Preassigned    2.01, 3.65 A)
 &rst
  ixpk= 3534, nxpk= 25, iat=  -1,1099, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1106,1107,1108,1110,1111,1112,
 &end
#
#    0 AMB  25-3:3535    69 LEU  HA          2.80    (#   3535:25  Single Ambig)
 &rst
  ixpk= 3535, nxpk= 25, iat=  -1,1099, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=1106,1107,1108,1110,1111,1112, 690, 691, 692, 694,
       695, 696, 690, 691, 692, 694, 695, 696,
 &end
#
#   69 LEU  HB+          69 LEU  HA          3.50    (#   3536:25  Preassigned    2.30, 2.66 A)
 &rst
  ixpk= 3536, nxpk= 25, iat=  -1,1099, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1101,1102,
 &end
#
#   69 LEU  HG           69 LEU  HA          4.50    (#   3537:25  Preassigned    3.74, 3.80 A)
 &rst
  ixpk= 3537, nxpk= 25, iat=1104,1099, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   69 LEU  HB-          69 LEU  HA          3.50    (#   3538:25  Preassigned    2.30, 2.66 A)
 &rst
  ixpk= 3538, nxpk= 25, iat=  -1,1099, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1101,1102,
 &end
#
#    0 AMB  25-3:3539    69 LEU  HA          4.50    (#   3539:25  Single Ambig)
 &rst
  ixpk= 3539, nxpk= 25, iat=  -1,1099, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1120,  81, 661, 662, 133, 134,
 &end
#
#   68 HIS  HB+          69 LEU  HA          5.50    (#   3540:25  Preassigned    4.56, 5.16 A)
 &rst
  ixpk= 3540, nxpk= 25, iat=  -1,1099, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1084,1085,
 &end
#
#   41 GLN  HA           69 LEU  HA          7.00    (#   3541:25  Preassigned    6.21, 6.30 A)
 &rst
  ixpk= 3541, nxpk= 25, iat= 642,1099, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   70 VAL  HA           69 LEU  HA          5.50    (#   3542:25  Preassigned    4.39, 4.40 A)
 &rst
  ixpk= 3542, nxpk= 25, iat=1118,1099, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   43 LEU  HA           69 LEU  HA          3.50    (#   3543:25  Preassigned    3.17, 3.37 A)
 &rst
  ixpk= 3543, nxpk= 25, iat= 683,1099, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   42 ARG  HN           69 LEU  HA          7.00    (#   3544:25  Preassigned    5.79, 5.91 A)
 &rst
  ixpk= 3544, nxpk= 25, iat= 657,1099, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   69 LEU  HN           69 LEU  HA          4.50    (#   3545:25  Preassigned    2.88, 2.89 A)
 &rst
  ixpk= 3545, nxpk= 25, iat=1097,1099, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   70 VAL  HN           69 LEU  HA          3.50    (#   3546:25  Preassigned    2.14, 2.14 A)
 &rst
  ixpk= 3546, nxpk= 25, iat=1116,1099, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:3547    67 LEU  HA          5.50    (#   3547:25  Single Ambig)
 &rst
  ixpk= 3547, nxpk= 25, iat=  -1,1063, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 976, 977, 978, 969, 970, 971,
 &end
#
#    0 AMB  25-3:3548    67 LEU  HA          3.50    (#   3548:25  Single Ambig)
 &rst
  ixpk= 3548, nxpk= 25, iat=  -1,1063, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1070,1071,1072,1074,1075,1076,1070,1071,1072,1074,
      1075,1076,
 &end
#
#    6 LYS  HB+          67 LEU  HA          5.50    (#   3551:25  Preassigned    5.70, 6.20 A)
 &rst
  ixpk= 3551, nxpk= 25, iat=  -1,1063, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  97,  98,
 &end
#
#    0 AMB  25-3:3552     0 AMB  25-1:3552   2.80    (#   3552:25  Double Ambig)
 &rst
  ixpk= 3552, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=1065,1066,1136,1137,
 igr2=1063,1134,
 &end
#
#    0 AMB  25-3:3553     0 AMB  25-1:3553   2.80    (#   3553:25  Double Ambig)
 &rst
  ixpk= 3553, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=1139,1068,1136,1137,
 igr2=1134,1063,
 &end
#
#   68 HIS  HB-          67 LEU  HA          4.50    (#   3555:25  Preassigned    4.01, 4.77 A)
 &rst
  ixpk= 3555, nxpk= 25, iat=  -1,1063, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1084,1085,
 &end
#
#   45 PHE  HB-          67 LEU  HA          4.50    (#   3556:25  Preassigned    3.60, 4.55 A)
 &rst
  ixpk= 3556, nxpk= 25, iat=  -1,1063, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 723, 724,
 &end
#
#   45 PHE  HB+          67 LEU  HA          4.50    (#   3557:25  Preassigned    3.60, 4.55 A)
 &rst
  ixpk= 3557, nxpk= 25, iat=  -1,1063, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 723, 724,
 &end
#
#   45 PHE  HD1          67 LEU  HA          3.50    (#   3561:25  Preassigned    2.18, 2.28 A)
 &rst
  ixpk= 3561, nxpk= 25, iat= 727,1063, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:3562     0 AMB  25-1:3562   5.50    (#   3562:25  Double Ambig)
 &rst
  ixpk= 3562, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 729, 640,
 igr2=1063,1134,
 &end
#
#   42 ARG  HN           71 LEU  HA          7.00    (#   3563:25  Unique         2.31, 2.45 A)
 &rst
  ixpk= 3563, nxpk= 25, iat= 657,1134, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   68 HIS  HN           67 LEU  HA          3.50    (#   3566:25  Preassigned    2.40, 2.47 A)
 &rst
  ixpk= 3566, nxpk= 25, iat=1080,1063, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   67 LEU  HN           67 LEU  HA          4.50    (#   3567:25  Preassigned    2.90, 2.92 A)
 &rst
  ixpk= 3567, nxpk= 25, iat=1061,1063, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   17 VAL  QG+          16 GLU  HA          4.50    (#   3568:25  Preassigned    3.55, 4.99 A)
 &rst
  ixpk= 3568, nxpk= 25, iat=  -1, 259, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 278, 279, 280, 282, 283, 284,
 &end
#
#   17 VAL  QG-          16 GLU  HA          4.50    (#   3569:25  Preassigned    3.55, 4.99 A)
 &rst
  ixpk= 3569, nxpk= 25, iat=  -1, 259, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 278, 279, 280, 282, 283, 284,
 &end
#
#   16 GLU  HB-          16 GLU  HA          3.50    (#   3570:25  Preassigned    2.73, 2.84 A)
 &rst
  ixpk= 3570, nxpk= 25, iat=  -1, 259, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 261, 262,
 &end
#
#   16 GLU  HB+          16 GLU  HA          3.50    (#   3571:25  Preassigned    2.73, 2.84 A)
 &rst
  ixpk= 3571, nxpk= 25, iat=  -1, 259, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 261, 262,
 &end
#
#   16 GLU  HG-          16 GLU  HA          4.50    (#   3572:25  Preassigned    2.19, 2.55 A)
 &rst
  ixpk= 3572, nxpk= 25, iat=  -1, 259, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 264, 265,
 &end
#
#    2 GLN  HA           16 GLU  HA          3.50    (#   3573:25  Preassigned    1.86, 1.90 A)
 &rst
  ixpk= 3573, nxpk= 25, iat=  23, 259, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   16 GLU  HN           16 GLU  HA          4.50    (#   3574:25  Preassigned    2.87, 2.88 A)
 &rst
  ixpk= 3574, nxpk= 25, iat= 257, 259, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    3 ILE  HN           16 GLU  HA          4.50    (#   3575:25  Preassigned    3.58, 3.59 A)
 &rst
  ixpk= 3575, nxpk= 25, iat=  38, 259, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   17 VAL  HN           16 GLU  HA          2.80    (#   3576:25  Preassigned    2.14, 2.14 A)
 &rst
  ixpk= 3576, nxpk= 25, iat= 272, 259, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   55 THR  HA           22 THR  HA          3.50    (#   3577:25  Preassigned    1.84, 1.88 A)
 &rst
  ixpk= 3577, nxpk= 25, iat= 874, 342, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   22 THR  HN           22 THR  HA          4.50    (#   3578:25  Preassigned    2.84, 2.86 A)
 &rst
  ixpk= 3578, nxpk= 25, iat= 340, 342, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   23 ILE  HN           22 THR  HA          3.50    (#   3579:25  Preassigned    2.20, 2.22 A)
 &rst
  ixpk= 3579, nxpk= 25, iat= 354, 342, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   76 GLY  HN           76 GLY  HA+         4.50    (#   3582:25  Preassigned    2.29, 2.61 A)
 &rst
  ixpk= 3582, nxpk= 25, iat=1225,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1227,1228,
 &end
#
#   76 GLY  HN           76 GLY  HA-         4.50    (#   3583:25  Preassigned    2.29, 2.61 A)
 &rst
  ixpk= 3583, nxpk= 25, iat=1225,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1227,1228,
 &end
#
#    0 AMB  25-3:3584     0 AMB  25-1:3584   2.80    (#   3584:25  Double Ambig)
 &rst
  ixpk= 3584, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=1106,1107,1108,1110,1111,1112,  83,  84,  85,  87,
        88,  89,  83,  84,  85,  87,  88,  89,1070,1071,
      1072,1074,1075,1076,  83,  84,  85,  87,  88,  89,
      
 igr2=1101,1102,1065,1066,
 &end
#
#    0 AMB  25-3:3585    69 LEU  HB-         2.80    (#   3585:25  Single Ambig)
 &rst
  ixpk= 3585, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1=1106,1107,1108,1110,1111,1112,  83,  84,  85,  87,
        88,  89,  83,  84,  85,  87,  88,  89, 478, 479,
       480,
 igr2=1101,1102,
 &end
#
#   69 LEU  QD+          69 LEU  HB-         3.50    (#   3586:25  Unique         2.08, 3.47 A)
 &rst
  ixpk= 3586, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1106,1107,1108,1110,1111,1112,
 igr2=1101,1102,
 &end
#
#    7 THR  QG2          69 LEU  HB-         3.50    (#   3587:25  Preassigned    1.94, 3.21 A)
 &rst
  ixpk= 3587, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 121, 122, 123,
 igr2=1101,1102,
 &end
#
#   69 LEU  HG           69 LEU  HB-         3.50    (#   3588:25  Preassigned    2.30, 2.44 A)
 &rst
  ixpk= 3588, nxpk= 25, iat=1104,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1101,1102,
 &end
#
#    5 VAL  HA           67 LEU  HB+         5.50    (#   3589:25  Preassigned    2.35, 2.70 A)
 &rst
  ixpk= 3589, nxpk= 25, iat=  79,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1065,1066,
 &end
#
#   67 LEU  HA           67 LEU  HB+         3.50    (#   3590:25  Preassigned    2.74, 2.84 A)
 &rst
  ixpk= 3590, nxpk= 25, iat=1063,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1065,1066,
 &end
#
#    5 VAL  HA           67 LEU  HB-         4.50    (#   3591:25  Preassigned    2.35, 2.70 A)
 &rst
  ixpk= 3591, nxpk= 25, iat=  79,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1065,1066,
 &end
#
#   67 LEU  HA           67 LEU  HB-         4.50    (#   3592:25  Preassigned    2.74, 2.84 A)
 &rst
  ixpk= 3592, nxpk= 25, iat=1063,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1065,1066,
 &end
#
#    0 AMB  25-3:3593     0 AMB  25-1:3593   5.50    (#   3593:25  Double Ambig)
 &rst
  ixpk= 3593, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1082,1099, 721,
 igr2=1065,1066,1065,1066,1065,1066,
 &end
#
#   66 THR  HA           67 LEU  HB+         5.50    (#   3594:25  Unique         4.25, 4.77 A)
 &rst
  ixpk= 3594, nxpk= 25, iat=1049,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1065,1066,
 &end
#
#    7 THR  HA           69 LEU  HB-         3.50    (#   3595:25  Unique         1.59, 2.45 A)
 &rst
  ixpk= 3595, nxpk= 25, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1101,1102,
 &end
#
#   45 PHE  HD1          67 LEU  HB+         5.50    (#   3596:25  Preassigned    4.45, 4.82 A)
 &rst
  ixpk= 3596, nxpk= 25, iat= 727,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1065,1066,
 &end
#
#   45 PHE  HD1          67 LEU  HB-         5.50    (#   3597:25  Preassigned    4.45, 4.82 A)
 &rst
  ixpk= 3597, nxpk= 25, iat= 727,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1065,1066,
 &end
#
#   69 LEU  HN           69 LEU  HB-         4.50    (#   3598:25  Preassigned    2.22, 2.59 A)
 &rst
  ixpk= 3598, nxpk= 25, iat=1097,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1101,1102,
 &end
#
#    7 THR  HN           69 LEU  HB-         5.50    (#   3599:25  Unique         3.77, 4.47 A)
 &rst
  ixpk= 3599, nxpk= 25, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1101,1102,
 &end
#
#   68 HIS  HN           67 LEU  HB+         4.50    (#   3600:25  Preassigned    2.67, 3.38 A)
 &rst
  ixpk= 3600, nxpk= 25, iat=1080,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1065,1066,
 &end
#
#    0 AMB  25-3:3601    69 LEU  HB-         4.50    (#   3601:25  Single Ambig)
 &rst
  ixpk= 3601, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 129,1116,
 igr2=1101,1102,
 &end
#
#   68 HIS  HN           67 LEU  HB-         4.50    (#   3602:25  Preassigned    2.67, 3.38 A)
 &rst
  ixpk= 3602, nxpk= 25, iat=1080,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1065,1066,
 &end
#
#   67 LEU  HN           67 LEU  HB-         4.50    (#   3603:25  Preassigned    2.20, 2.66 A)
 &rst
  ixpk= 3603, nxpk= 25, iat=1061,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1065,1066,
 &end
#
#   67 LEU  HN           67 LEU  HB+         4.50    (#   3604:25  Preassigned    2.20, 2.66 A)
 &rst
  ixpk= 3604, nxpk= 25, iat=1061,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1065,1066,
 &end
#
#    0 AMB  25-3:3606     0 AMB  25-1:3606   2.80    (#   3606:25  Double Ambig)
 &rst
  ixpk= 3606, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr1=1184,1185,1186,1188,1189,1190,1184,1185,1186,1188,
      1189,1190,1141,1142,1143,1145,1146,1147,
 igr2=1179,1180,1136,1137,
 &end
#
#    0 AMB  25-3:3611    71 LEU  HB-         4.50    (#   3611:25  Single Ambig)
 &rst
  ixpk= 3611, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 630, 631, 630, 631,
 igr2=1136,1137,
 &end
#
#    0 AMB  25-3:3615     0 AMB  25-1:3615   5.50    (#   3615:25  Double Ambig)
 &rst
  ixpk= 3615, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 635, 636,1036,
 igr2=1136,1137,  42,
 &end
#
#    3 ILE  HN            3 ILE  HB          5.50    (#   3616:25  Preassigned    3.64, 3.66 A)
 &rst
  ixpk= 3616, nxpk= 25, iat=  38,  42, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   71 LEU  HN           71 LEU  HB-         4.50    (#   3618:25  Preassigned    2.15, 2.75 A)
 &rst
  ixpk= 3618, nxpk= 25, iat=1132,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1136,1137,
 &end
#
#   73 LEU  HN           73 LEU  HB-         3.50    (#   3619:25  Preassigned    3.70, 3.87 A)
 &rst
  ixpk= 3619, nxpk= 25, iat=1175,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1179,1180,
 &end
#
#   63 LYS  HB-          63 LYS  HD+         2.80    (#   3620:25  Unique         1.96, 3.20 A)
 &rst
  ixpk= 3620, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1003,1004,
 igr2=1009,1010,
 &end
#
#    0 AMB  25-3:3621     0 AMB  25-1:3621   7.00    (#   3621:25  Double Ambig)
 &rst
  ixpk= 3621, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.72, r4=13.22,
 igr1= 989, 990,1028,1029,1028,1029,
 igr2=1009,1010,1009,1010,1009,1010,
 &end
#
#   64 GLU  HB-          63 LYS  HD+         4.50    (#   3622:25  Preassigned    4.68, 6.54 A)
 &rst
  ixpk= 3622, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1025,1026,
 igr2=1009,1010,
 &end
#
#   45 PHE  HB-          67 LEU  HG          4.50    (#   3623:25  Preassigned    3.27, 4.27 A)
 &rst
  ixpk= 3623, nxpk= 25, iat=  -1,1068, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 723, 724,
 &end
#
#    0 AMB  25-3:3624     0 AMB  25-1:3624   4.50    (#   3624:25  Double Ambig)
 &rst
  ixpk= 3624, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1025,1026,  11,  12,
 igr2=1009,1010,1009,1010,
 &end
#
#   63 LYS  HA           63 LYS  HD+         4.50    (#   3625:25  Preassigned    4.27, 4.58 A)
 &rst
  ixpk= 3625, nxpk= 25, iat=1001,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1009,1010,
 &end
#
#   15 LEU  HA           16 GLU  HB+         4.50    (#   3626:25  Preassigned    4.22, 4.90 A)
 &rst
  ixpk= 3626, nxpk= 25, iat= 240,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 261, 262,
 &end
#
#    0 AMB  25-3:3627     0 AMB  25-1:3627   4.50    (#   3627:25  Double Ambig)
 &rst
  ixpk= 3627, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 240,  79,
 igr2= 261, 262,1068,
 &end
#
#   16 GLU  HA           16 GLU  HB+         3.50    (#   3628:25  Preassigned    2.73, 2.84 A)
 &rst
  ixpk= 3628, nxpk= 25, iat= 259,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 261, 262,
 &end
#
#   16 GLU  HA           16 GLU  HB-         3.50    (#   3629:25  Preassigned    2.73, 2.84 A)
 &rst
  ixpk= 3629, nxpk= 25, iat= 259,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 261, 262,
 &end
#
#    2 GLN  HA           16 GLU  HB-         4.50    (#   3630:25  Unique         4.48, 4.66 A)
 &rst
  ixpk= 3630, nxpk= 25, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 261, 262,
 &end
#
#    0 AMB  25-3:3631    67 LEU  HG          4.50    (#   3631:25  Single Ambig)
 &rst
  ixpk= 3631, nxpk= 25, iat=  -1,1068, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 721,1082,
 &end
#
#   16 GLU  HN           16 GLU  HB+         3.50    (#   3632:25  Preassigned    2.13, 2.78 A)
 &rst
  ixpk= 3632, nxpk= 25, iat= 257,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 261, 262,
 &end
#
#   16 GLU  HN           16 GLU  HB-         3.50    (#   3633:25  Preassigned    2.13, 2.78 A)
 &rst
  ixpk= 3633, nxpk= 25, iat= 257,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 261, 262,
 &end
#
#   45 PHE  HD1          67 LEU  HG          4.50    (#   3634:25  Preassigned    3.75, 4.00 A)
 &rst
  ixpk= 3634, nxpk= 25, iat= 727,1068, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   63 LYS  HN           63 LYS  HD+         4.50    (#   3635:25  Preassigned    3.84, 4.16 A)
 &rst
  ixpk= 3635, nxpk= 25, iat= 999,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1009,1010,
 &end
#
#   17 VAL  HN           16 GLU  HB+         4.50    (#   3636:25  Preassigned    3.56, 4.07 A)
 &rst
  ixpk= 3636, nxpk= 25, iat= 272,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 261, 262,
 &end
#
#   17 VAL  HN           16 GLU  HB-         4.50    (#   3637:25  Preassigned    3.56, 4.07 A)
 &rst
  ixpk= 3637, nxpk= 25, iat= 272,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 261, 262,
 &end
#
#   12 THR  HN            0 AMB  25-1:3638   5.50    (#   3638:25  Single Ambig)
 &rst
  ixpk= 3638, nxpk= 25, iat= 191,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 103, 104, 103, 104,
 &end
#
#   16 GLU  HG-          16 GLU  HB+         3.50    (#   3639:25  Preassigned    2.31, 2.72 A)
 &rst
  ixpk= 3639, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 264, 265,
 igr2= 261, 262,
 &end
#
#   16 GLU  HG-          16 GLU  HB-         3.50    (#   3640:25  Preassigned    2.31, 2.72 A)
 &rst
  ixpk= 3640, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 264, 265,
 igr2= 261, 262,
 &end
#
#   16 GLU  HG+          16 GLU  HB+         3.50    (#   3641:25  Preassigned    2.31, 2.72 A)
 &rst
  ixpk= 3641, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 264, 265,
 igr2= 261, 262,
 &end
#
#   16 GLU  HG+          16 GLU  HB-         2.80    (#   3642:25  Preassigned    2.31, 2.72 A)
 &rst
  ixpk= 3642, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 264, 265,
 igr2= 261, 262,
 &end
#
#   17 VAL  QG-          16 GLU  HB+         4.50    (#   3643:25  Preassigned    5.02, 6.23 A)
 &rst
  ixpk= 3643, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 278, 279, 280, 282, 283, 284,
 igr2= 261, 262,
 &end
#
#   17 VAL  QG+           1 MET  HG-         3.50    (#   3644:25  Preassigned    3.53, 6.10 A)
 &rst
  ixpk= 3644, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 278, 279, 280, 282, 283, 284,
 igr2=  11,  12,
 &end
#
#    3 ILE  QG2           1 MET  HG-         3.50    (#   3645:25  Preassigned    3.76, 5.16 A)
 &rst
  ixpk= 3645, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  44,  45,  46,
 igr2=  11,  12,
 &end
#
#    0 AMB  25-3:3646     0 AMB  25-1:3646   3.50    (#   3646:25  Double Ambig)
 &rst
  ixpk= 3646, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 630, 631, 630, 631, 630, 631,
 igr2=1198,1199,1198,1199,1155,1156,
 &end
#
#   18 GLU  HG-          18 GLU  HB-         3.50    (#   3647:25  Preassigned    2.29, 2.66 A)
 &rst
  ixpk= 3647, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 295, 296,
 igr2= 292, 293,
 &end
#
#   40 GLN  HB+          74 ARG  HB-         4.50    (#   3648:25  Unique         1.95, 4.55 A)
 &rst
  ixpk= 3648, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 627, 628,
 igr2=1198,1199,
 &end
#
#    0 AMB  25-3:3649     0 AMB  25-1:3649   3.50    (#   3649:25  Double Ambig)
 &rst
  ixpk= 3649, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1=1161,1162,1161,1162,1204,1205,1204,1205,
 igr2=1155,1156,1198,1199,1198,1199,
 &end
#
#   63 LYS  HA            1 MET  HG-         4.50    (#   3651:25  Preassigned    1.96, 2.93 A)
 &rst
  ixpk= 3651, nxpk= 25, iat=1001,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  11,  12,
 &end
#
#    0 AMB  25-3:3653     0 AMB  25-1:3653   3.50    (#   3653:25  Double Ambig)
 &rst
  ixpk= 3653, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1196,1153,
 igr2=1198,1199,1155,1156,
 &end
#
#   19 PRO  HD-          18 GLU  HB-         4.50    (#   3654:25  Preassigned    2.14, 3.37 A)
 &rst
  ixpk= 3654, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 304, 305,
 igr2= 292, 293,
 &end
#
#   19 PRO  HD+          18 GLU  HB-         4.50    (#   3655:25  Preassigned    2.14, 3.37 A)
 &rst
  ixpk= 3655, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 304, 305,
 igr2= 292, 293,
 &end
#
#    0 AMB  25-3:3658     0 AMB  25-1:3658   5.50    (#   3658:25  Double Ambig)
 &rst
  ixpk= 3658, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 321, 322, 313,  40,
 igr2= 292, 293,  25,  26,
 &end
#
#   18 GLU  HA           18 GLU  HB-         3.50    (#   3660:25  Preassigned    2.24, 2.55 A)
 &rst
  ixpk= 3660, nxpk= 25, iat= 290,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 292, 293,
 &end
#
#    0 AMB  25-3:3661    18 GLU  HB-         5.50    (#   3661:25  Single Ambig)
 &rst
  ixpk= 3661, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 274, 330,
 igr2= 292, 293,
 &end
#
#    2 GLN  HA            2 GLN  HB-         3.50    (#   3662:25  Preassigned    2.30, 2.46 A)
 &rst
  ixpk= 3662, nxpk= 25, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  25,  26,
 &end
#
#    3 ILE  HN            2 GLN  HB-         4.50    (#   3663:25  Unique         2.55, 3.31 A)
 &rst
  ixpk= 3663, nxpk= 25, iat=  38,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  25,  26,
 &end
#
#   18 GLU  HN           18 GLU  HB-         3.50    (#   3664:25  Preassigned    2.41, 3.40 A)
 &rst
  ixpk= 3664, nxpk= 25, iat= 288,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 292, 293,
 &end
#
#    2 GLN  HN            2 GLN  HB-         3.50    (#   3665:25  Preassigned    2.99, 3.47 A)
 &rst
  ixpk= 3665, nxpk= 25, iat=  21,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  25,  26,
 &end
#
#    0 AMB  25-3:3666     1 MET  HG-         4.50    (#   3666:25  Single Ambig)
 &rst
  ixpk= 3666, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  21, 272,
 igr2=  11,  12,
 &end
#
#   64 GLU  HN            1 MET  HG-         5.50    (#   3669:25  Preassigned    3.12, 4.24 A)
 &rst
  ixpk= 3669, nxpk= 25, iat=1021,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  11,  12,
 &end
#
#    0 AMB  25-3:3670    42 ARG  HB-         4.50    (#   3670:25  Single Ambig)
 &rst
  ixpk= 3670, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 713, 714, 715,1106,1107,1108,1110,1111,1112,
 igr2= 661, 662,
 &end
#
#   70 VAL  QG+          42 ARG  HB-         4.50    (#   3671:25  Unique         1.81, 4.60 A)
 &rst
  ixpk= 3671, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1122,1123,1124,1126,1127,1128,
 igr2= 661, 662,
 &end
#
#   70 VAL  QG-          42 ARG  HB-         4.50    (#   3672:25  Unique         1.81, 4.60 A)
 &rst
  ixpk= 3672, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1122,1123,1124,1126,1127,1128,
 igr2= 661, 662,
 &end
#
#    0 AMB  25-3:3673    42 ARG  HB-         4.50    (#   3673:25  Single Ambig)
 &rst
  ixpk= 3673, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 785, 786, 785, 786,
 igr2= 661, 662,
 &end
#
#   42 ARG  HD+          42 ARG  HB-         3.50    (#   3674:25  Preassigned    1.94, 2.94 A)
 &rst
  ixpk= 3674, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 667, 668,
 igr2= 661, 662,
 &end
#
#   42 ARG  HA           42 ARG  HB-         3.50    (#   3675:25  Preassigned    2.26, 2.75 A)
 &rst
  ixpk= 3675, nxpk= 25, iat= 659,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 661, 662,
 &end
#
#   42 ARG  HN           42 ARG  HB-         4.50    (#   3676:25  Preassigned    2.22, 2.64 A)
 &rst
  ixpk= 3676, nxpk= 25, iat= 657,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 661, 662,
 &end
#
#   43 LEU  HN           42 ARG  HB-         4.50    (#   3678:25  Preassigned    3.52, 3.89 A)
 &rst
  ixpk= 3678, nxpk= 25, iat= 681,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 661, 662,
 &end
#
#   70 VAL  HN           42 ARG  HB-         5.50    (#   3679:25  Preassigned    4.29, 5.05 A)
 &rst
  ixpk= 3679, nxpk= 25, iat=1116,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 661, 662,
 &end
#
#   33 LYS  HA           13 ILE  HG1+        4.50    (#   3681:25  Preassigned    4.27, 5.08 A)
 &rst
  ixpk= 3681, nxpk= 25, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 215, 216,
 &end
#
#    0 AMB  25-3:3682     0 AMB  25-1:3682   3.50    (#   3682:25  Double Ambig)
 &rst
  ixpk= 3682, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 533, 534, 533, 534,
 igr2= 215, 216, 215, 216,
 &end
#
#   67 LEU  HG           43 LEU  HG          2.80    (#   3683:25  Unique         2.67, 2.79 A)
 &rst
  ixpk= 3683, nxpk= 25, iat=1068, 688, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   37 PRO  HG+          71 LEU  QD+         5.50    (#   3694:25  Unique         5.79, 7.50 A)
 &rst
  ixpk= 3694, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 587, 588,
 igr2=1141,1142,1143,1145,1146,1147,
 &end
#
#   41 GLN  HA           71 LEU  QD+         5.50    (#   3696:25  Unique         2.90, 5.18 A)
 &rst
  ixpk= 3696, nxpk= 25, iat= 642,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1141,1142,1143,1145,1146,1147,
 &end
#
#   41 GLN  HN           71 LEU  QD+         5.50    (#   3699:25  Unique         5.50, 7.14 A)
 &rst
  ixpk= 3699, nxpk= 25, iat= 640,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1141,1142,1143,1145,1146,1147,
 &end
#
#   42 ARG  HN           71 LEU  QD+         5.50    (#   3700:25  Unique         4.14, 6.19 A)
 &rst
  ixpk= 3700, nxpk= 25, iat= 657,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1141,1142,1143,1145,1146,1147,
 &end
#
#   23 ILE  HG1-         43 LEU  QD+         3.50    (#   3703:25  Unique         3.58, 6.55 A)
 &rst
  ixpk= 3703, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 364, 365,
 igr2= 690, 691, 692, 694, 695, 696,
 &end
#
#   41 GLN  HG+          43 LEU  QD+         3.50    (#   3707:25  Unique         3.06, 5.67 A)
 &rst
  ixpk= 3707, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 647, 648,
 igr2= 690, 691, 692, 694, 695, 696,
 &end
#
#   41 GLN  HA           43 LEU  QD+         5.50    (#   3708:25  Preassigned    5.50, 7.58 A)
 &rst
  ixpk= 3708, nxpk= 25, iat= 642,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 690, 691, 692, 694, 695, 696,
 &end
#
#   41 GLN  HN           71 LEU  QD+         4.50    (#   3711:25  Unique         5.50, 7.14 A)
 &rst
  ixpk= 3711, nxpk= 25, iat= 640,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1141,1142,1143,1145,1146,1147,
 &end
#
#    0 AMB  25-3:3712     0 AMB  25-1:3712   3.50    (#   3712:25  Double Ambig)
 &rst
  ixpk= 3712, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 657, 402,
 igr2= 690, 691, 692, 694, 695, 696, 690, 691, 692, 694,
       695, 696,
 &end
#
#   70 VAL  HN           43 LEU  QD+         4.50    (#   3713:25  Unique         3.39, 5.48 A)
 &rst
  ixpk= 3713, nxpk= 25, iat=1116,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 690, 691, 692, 694, 695, 696,
 &end
#
#    0 AMB  25-3:3714     0 AMB  25-1:3714   4.50    (#   3714:25  Double Ambig)
 &rst
  ixpk= 3714, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.63, r4=10.13,
 igr1= 408, 409, 410, 412, 413, 414,  48,  49,
 igr2= 247, 248, 249, 251, 252, 253, 247, 248, 249, 251,
       252, 253,
 &end
#
#   15 LEU  HB+          15 LEU  QD+         3.50    (#   3715:25  Preassigned    1.99, 3.20 A)
 &rst
  ixpk= 3715, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 242, 243,
 igr2= 247, 248, 249, 251, 252, 253,
 &end
#
#   15 LEU  HG           15 LEU  QD+         2.80    (#   3716:25  Preassigned    2.24, 2.63 A)
 &rst
  ixpk= 3716, nxpk= 25, iat= 245,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 247, 248, 249, 251, 252, 253,
 &end
#
#    0 AMB  25-3:3717     0 AMB  25-1:3717   3.50    (#   3717:25  Double Ambig)
 &rst
  ixpk= 3717, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 457, 458, 527, 528,
 igr2= 247, 248, 249, 251, 252, 253, 247, 248, 249, 251,
       252, 253,
 &end
#
#    0 AMB  25-3:3718     0 AMB  25-1:3718   3.50    (#   3718:25  Double Ambig)
 &rst
  ixpk= 3718, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.22, r4= 8.72,
 igr1=  42, 530, 531, 530, 531,1065,1066,
 igr2= 247, 248, 249, 251, 252, 253, 247, 248, 249, 251,
       252, 253, 247, 248, 249, 251, 252, 253, 247, 248,
       249, 251, 252, 253,
 &end
#
#    0 AMB  25-3:3719     0 AMB  25-1:3719   3.50    (#   3719:25  Double Ambig)
 &rst
  ixpk= 3719, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 460, 461, 457, 458,
 igr2= 247, 248, 249, 251, 252, 253, 247, 248, 249, 251,
       252, 253,
 &end
#
#   29 LYS  HB-          15 LEU  QD+         3.50    (#   3720:25  Unique         2.25, 3.83 A)
 &rst
  ixpk= 3720, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 454, 455,
 igr2= 247, 248, 249, 251, 252, 253,
 &end
#
#   29 LYS  HB+          15 LEU  QD+         3.50    (#   3721:25  Preassigned    2.25, 3.83 A)
 &rst
  ixpk= 3721, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 454, 455,
 igr2= 247, 248, 249, 251, 252, 253,
 &end
#
#    0 AMB  25-3:3722     0 AMB  25-1:3722   4.50    (#   3722:25  Double Ambig)
 &rst
  ixpk= 3722, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 276, 406,
 igr2= 247, 248, 249, 251, 252, 253, 247, 248, 249, 251,
       252, 253,
 &end
#
#   29 LYS  HE-          15 LEU  QD+         5.50    (#   3724:25  Preassigned    4.02, 6.01 A)
 &rst
  ixpk= 3724, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 463, 464,
 igr2= 247, 248, 249, 251, 252, 253,
 &end
#
#    0 AMB  25-3:3725     0 AMB  25-1:3725   4.50    (#   3725:25  Double Ambig)
 &rst
  ixpk= 3725, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.82, r4=10.32,
 igr1= 533, 534, 533, 534, 463, 464,
 igr2= 247, 248, 249, 251, 252, 253, 247, 248, 249, 251,
       252, 253, 247, 248, 249, 251, 252, 253,
 &end
#
#   26 VAL  HA           15 LEU  QD+         5.50    (#   3726:25  Preassigned    3.39, 4.48 A)
 &rst
  ixpk= 3726, nxpk= 25, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 247, 248, 249, 251, 252, 253,
 &end
#
#   30 ILE  HA           15 LEU  QD+         4.50    (#   3727:25  Preassigned    4.09, 5.83 A)
 &rst
  ixpk= 3727, nxpk= 25, iat= 474,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 247, 248, 249, 251, 252, 253,
 &end
#
#   29 LYS  HA           15 LEU  QD+         4.50    (#   3728:25  Preassigned    4.54, 6.13 A)
 &rst
  ixpk= 3728, nxpk= 25, iat= 452,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 247, 248, 249, 251, 252, 253,
 &end
#
#   15 LEU  HA           15 LEU  QD+         3.50    (#   3730:25  Preassigned    3.93, 4.76 A)
 &rst
  ixpk= 3730, nxpk= 25, iat= 240,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 247, 248, 249, 251, 252, 253,
 &end
#
#   14 THR  HA           15 LEU  QD+         5.50    (#   3731:25  Preassigned    4.04, 6.17 A)
 &rst
  ixpk= 3731, nxpk= 25, iat= 226,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 247, 248, 249, 251, 252, 253,
 &end
#
#   29 LYS  HN           15 LEU  QD+         4.50    (#   3733:25  Preassigned    4.72, 5.97 A)
 &rst
  ixpk= 3733, nxpk= 25, iat= 450,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 247, 248, 249, 251, 252, 253,
 &end
#
#   16 GLU  HN           15 LEU  QD+         3.50    (#   3734:25  Preassigned    3.52, 5.34 A)
 &rst
  ixpk= 3734, nxpk= 25, iat= 257,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 247, 248, 249, 251, 252, 253,
 &end
#
#    0 AMB  25-3:3735     0 AMB  25-1:3735   4.50    (#   3735:25  Double Ambig)
 &rst
  ixpk= 3735, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=  38, 472,
 igr2= 247, 248, 249, 251, 252, 253, 247, 248, 249, 251,
       252, 253,
 &end
#
#    0 AMB  25-3:3736     0 AMB  25-1:3736   5.50    (#   3736:25  Double Ambig)
 &rst
  ixpk= 3736, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 418, 491,
 igr2= 247, 248, 249, 251, 252, 253, 247, 248, 249, 251,
       252, 253,
 &end
#
#   15 LEU  HN           15 LEU  QD+         4.50    (#   3737:25  Preassigned    2.88, 4.48 A)
 &rst
  ixpk= 3737, nxpk= 25, iat= 238,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 247, 248, 249, 251, 252, 253,
 &end
#
#    5 VAL  HN           15 LEU  QD+         7.00    (#   3739:25  Preassigned    3.59, 6.14 A)
 &rst
  ixpk= 3739, nxpk= 25, iat=  77,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2= 247, 248, 249, 251, 252, 253,
 &end
#
#   50 LEU  QD-          67 LEU  QD+         5.50    (#   3740:25  Preassigned    2.03, 4.62 A)
 &rst
  ixpk= 3740, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 804, 805, 806, 808, 809, 810,
 igr2=1070,1071,1072,1074,1075,1076,
 &end
#
#   26 VAL  QG+          67 LEU  QD+         3.50    (#   3741:25  Preassigned    2.72, 6.03 A)
 &rst
  ixpk= 3741, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 408, 409, 410, 412, 413, 414,
 igr2=1070,1071,1072,1074,1075,1076,
 &end
#
#   43 LEU  HB+          67 LEU  QD+         3.50    (#   3742:25  Preassigned    2.79, 5.32 A)
 &rst
  ixpk= 3742, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 685, 686,
 igr2=1070,1071,1072,1074,1075,1076,
 &end
#
#    0 AMB  25-3:3743     0 AMB  25-1:3743   4.50    (#   3743:25  Double Ambig)
 &rst
  ixpk= 3743, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 967, 364, 365,
 igr2=1070,1071,1072,1074,1075,1076,1070,1071,1072,1074,
      1075,1076,
 &end
#
#   50 LEU  HB+          67 LEU  QD+         4.50    (#   3744:25  Preassigned    4.36, 6.02 A)
 &rst
  ixpk= 3744, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 799, 800,
 igr2=1070,1071,1072,1074,1075,1076,
 &end
#
#    0 AMB  25-3:3745     0 AMB  25-1:3745   3.50    (#   3745:25  Double Ambig)
 &rst
  ixpk= 3745, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1=1065,1066, 685, 686,
 igr2=1070,1071,1072,1074,1075,1076,1070,1071,1072,1074,
      1075,1076,
 &end
#
#   67 LEU  HG           67 LEU  QD+         2.80    (#   3746:25  Preassigned    2.24, 2.63 A)
 &rst
  ixpk= 3746, nxpk= 25, iat=1068,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1070,1071,1072,1074,1075,1076,
 &end
#
#    5 VAL  HB           67 LEU  QD+         4.50    (#   3747:25  Preassigned    5.24, 7.12 A)
 &rst
  ixpk= 3747, nxpk= 25, iat=  81,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1070,1071,1072,1074,1075,1076,
 &end
#
#   26 VAL  HB           67 LEU  QD+         5.50    (#   3749:25  Preassigned    4.52, 6.29 A)
 &rst
  ixpk= 3749, nxpk= 25, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1070,1071,1072,1074,1075,1076,
 &end
#
#   59 TYR  HB+          67 LEU  QD+         7.00    (#   3750:25  Preassigned    4.34, 6.12 A)
 &rst
  ixpk= 3750, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1= 932, 933,
 igr2=1070,1071,1072,1074,1075,1076,
 &end
#
#   45 PHE  HB-          67 LEU  QD+         4.50    (#   3751:25  Preassigned    2.13, 4.85 A)
 &rst
  ixpk= 3751, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 723, 724,
 igr2=1070,1071,1072,1074,1075,1076,
 &end
#
#   45 PHE  HB+          67 LEU  QD+         3.50    (#   3752:25  Preassigned    2.13, 4.85 A)
 &rst
  ixpk= 3752, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 723, 724,
 igr2=1070,1071,1072,1074,1075,1076,
 &end
#
#   61 ILE  HA           67 LEU  QD+         5.50    (#   3753:25  Preassigned    5.46, 7.23 A)
 &rst
  ixpk= 3753, nxpk= 25, iat= 965,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1070,1071,1072,1074,1075,1076,
 &end
#
#   65 SER  HB-          67 LEU  QD+         5.50    (#   3754:25  Preassigned    3.30, 5.85 A)
 &rst
  ixpk= 3754, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1040,1041,
 igr2=1070,1071,1072,1074,1075,1076,
 &end
#
#   65 SER  HB+          67 LEU  QD+         5.50    (#   3755:25  Preassigned    3.30, 5.85 A)
 &rst
  ixpk= 3755, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1040,1041,
 igr2=1070,1071,1072,1074,1075,1076,
 &end
#
#    0 AMB  25-3:3756     0 AMB  25-1:3756   5.50    (#   3756:25  Double Ambig)
 &rst
  ixpk= 3756, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 888,1051,
 igr2=1070,1071,1072,1074,1075,1076,1070,1071,1072,1074,
      1075,1076,
 &end
#
#    5 VAL  HA           67 LEU  QD+         5.50    (#   3757:25  Preassigned    4.30, 5.48 A)
 &rst
  ixpk= 3757, nxpk= 25, iat=  79,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1070,1071,1072,1074,1075,1076,
 &end
#
#   67 LEU  HA           67 LEU  QD+         3.50    (#   3758:25  Preassigned    1.98, 3.70 A)
 &rst
  ixpk= 3758, nxpk= 25, iat=1063,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1070,1071,1072,1074,1075,1076,
 &end
#
#   45 PHE  HA           67 LEU  QD+         4.50    (#   3759:25  Unique         2.96, 5.36 A)
 &rst
  ixpk= 3759, nxpk= 25, iat= 721,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1070,1071,1072,1074,1075,1076,
 &end
#
#   66 THR  HA           67 LEU  QD+         4.50    (#   3760:25  Preassigned    5.10, 6.65 A)
 &rst
  ixpk= 3760, nxpk= 25, iat=1049,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1070,1071,1072,1074,1075,1076,
 &end
#
#   45 PHE  HE1          67 LEU  QD+         4.50    (#   3761:25  Preassigned    3.27, 5.77 A)
 &rst
  ixpk= 3761, nxpk= 25, iat= 729,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1070,1071,1072,1074,1075,1076,
 &end
#
#   45 PHE  HD1          67 LEU  QD+         3.50    (#   3762:25  Preassigned    1.99, 4.46 A)
 &rst
  ixpk= 3762, nxpk= 25, iat= 727,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1070,1071,1072,1074,1075,1076,
 &end
#
#    0 AMB  25-3:3763     0 AMB  25-1:3763   5.50    (#   3763:25  Double Ambig)
 &rst
  ixpk= 3763, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 795,  57,
 igr2=1070,1071,1072,1074,1075,1076,1070,1071,1072,1074,
      1075,1076,
 &end
#
#   66 THR  HN           67 LEU  QD+         5.50    (#   3764:25  Preassigned    4.62, 6.83 A)
 &rst
  ixpk= 3764, nxpk= 25, iat=1047,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1070,1071,1072,1074,1075,1076,
 &end
#
#    0 AMB  25-3:3765     0 AMB  25-1:3765   5.50    (#   3765:25  Double Ambig)
 &rst
  ixpk= 3765, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.69, r4=11.19,
 igr1= 739, 719, 681,
 igr2=1070,1071,1072,1074,1075,1076,1070,1071,1072,1074,
      1075,1076,1070,1071,1072,1074,1075,1076,
 &end
#
#   68 HIS  HN           67 LEU  QD+         4.50    (#   3766:25  Preassigned    3.36, 4.37 A)
 &rst
  ixpk= 3766, nxpk= 25, iat=1080,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1070,1071,1072,1074,1075,1076,
 &end
#
#   44 ILE  HN           67 LEU  QD+         5.50    (#   3767:25  Preassigned    4.57, 5.65 A)
 &rst
  ixpk= 3767, nxpk= 25, iat= 700,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1070,1071,1072,1074,1075,1076,
 &end
#
#   67 LEU  HN           67 LEU  QD+         4.50    (#   3768:25  Preassigned    3.58, 4.89 A)
 &rst
  ixpk= 3768, nxpk= 25, iat=1061,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1070,1071,1072,1074,1075,1076,
 &end
#
#   30 ILE  QD1          15 LEU  QD-         2.80    (#   3769:25  Preassigned    2.33, 3.99 A)
 &rst
  ixpk= 3769, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 485, 486, 487,
 igr2= 247, 248, 249, 251, 252, 253,
 &end
#
#    0 AMB  25-3:3770    15 LEU  QD-         3.50    (#   3770:25  Single Ambig)
 &rst
  ixpk= 3770, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 408, 409, 410, 412, 413, 414,  48,  49,
 igr2= 247, 248, 249, 251, 252, 253,
 &end
#
#   15 LEU  HB+          15 LEU  QD-         3.50    (#   3771:25  Preassigned    1.99, 3.20 A)
 &rst
  ixpk= 3771, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 242, 243,
 igr2= 247, 248, 249, 251, 252, 253,
 &end
#
#   15 LEU  HG           15 LEU  QD-         2.80    (#   3772:25  Preassigned    2.24, 2.63 A)
 &rst
  ixpk= 3772, nxpk= 25, iat= 245,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 247, 248, 249, 251, 252, 253,
 &end
#
#    0 AMB  25-3:3773    15 LEU  QD-         4.50    (#   3773:25  Single Ambig)
 &rst
  ixpk= 3773, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 457, 458, 527, 528,
 igr2= 247, 248, 249, 251, 252, 253,
 &end
#
#    0 AMB  25-3:3774    15 LEU  QD-         3.50    (#   3774:25  Single Ambig)
 &rst
  ixpk= 3774, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 460, 461, 457, 458,
 igr2= 247, 248, 249, 251, 252, 253,
 &end
#
#   30 ILE  HG1+         15 LEU  QD-         3.50    (#   3775:25  Preassigned    4.31, 5.76 A)
 &rst
  ixpk= 3775, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 482, 483,
 igr2= 247, 248, 249, 251, 252, 253,
 &end
#
#   29 LYS  HB+          15 LEU  QD-         4.50    (#   3776:25  Preassigned    2.25, 3.83 A)
 &rst
  ixpk= 3776, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 454, 455,
 igr2= 247, 248, 249, 251, 252, 253,
 &end
#
#    0 AMB  25-3:3777    15 LEU  QD-         4.50    (#   3777:25  Single Ambig)
 &rst
  ixpk= 3777, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 276, 406,
 igr2= 247, 248, 249, 251, 252, 253,
 &end
#
#    0 AMB  25-3:3778    15 LEU  QD-         5.50    (#   3778:25  Single Ambig)
 &rst
  ixpk= 3778, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 533, 534, 533, 534, 463, 464,
 igr2= 247, 248, 249, 251, 252, 253,
 &end
#
#   26 VAL  HA           15 LEU  QD-         5.50    (#   3779:25  Preassigned    3.39, 4.48 A)
 &rst
  ixpk= 3779, nxpk= 25, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 247, 248, 249, 251, 252, 253,
 &end
#
#   30 ILE  HA           15 LEU  QD-         5.50    (#   3780:25  Preassigned    4.09, 5.83 A)
 &rst
  ixpk= 3780, nxpk= 25, iat= 474,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 247, 248, 249, 251, 252, 253,
 &end
#
#   29 LYS  HA           15 LEU  QD-         5.50    (#   3781:25  Preassigned    4.54, 6.13 A)
 &rst
  ixpk= 3781, nxpk= 25, iat= 452,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 247, 248, 249, 251, 252, 253,
 &end
#
#   15 LEU  HA           15 LEU  QD-         4.50    (#   3782:25  Preassigned    3.93, 4.76 A)
 &rst
  ixpk= 3782, nxpk= 25, iat= 240,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 247, 248, 249, 251, 252, 253,
 &end
#
#   14 THR  HA           15 LEU  QD-         5.50    (#   3783:25  Preassigned    4.04, 6.17 A)
 &rst
  ixpk= 3783, nxpk= 25, iat= 226,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 247, 248, 249, 251, 252, 253,
 &end
#
#   29 LYS  HN           15 LEU  QD-         5.50    (#   3785:25  Preassigned    4.72, 5.97 A)
 &rst
  ixpk= 3785, nxpk= 25, iat= 450,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 247, 248, 249, 251, 252, 253,
 &end
#
#   16 GLU  HN           15 LEU  QD-         4.50    (#   3786:25  Preassigned    3.52, 5.34 A)
 &rst
  ixpk= 3786, nxpk= 25, iat= 257,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 247, 248, 249, 251, 252, 253,
 &end
#
#    0 AMB  25-3:3787    15 LEU  QD-         4.50    (#   3787:25  Single Ambig)
 &rst
  ixpk= 3787, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=  38, 472,
 igr2= 247, 248, 249, 251, 252, 253,
 &end
#
#   15 LEU  HN           15 LEU  QD-         4.50    (#   3788:25  Preassigned    2.88, 4.48 A)
 &rst
  ixpk= 3788, nxpk= 25, iat= 238,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 247, 248, 249, 251, 252, 253,
 &end
#
#    5 VAL  HN           15 LEU  QD-         5.50    (#   3789:25  Preassigned    3.59, 6.14 A)
 &rst
  ixpk= 3789, nxpk= 25, iat=  77,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 247, 248, 249, 251, 252, 253,
 &end
#
#   56 LEU  HG           22 THR  QG2         7.00    (#   3790:25  Preassigned    7.04, 7.68 A)
 &rst
  ixpk= 3790, nxpk= 25, iat= 893,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 346, 347, 348,
 &end
#
#   23 ILE  HG1+         22 THR  QG2         4.50    (#   3791:25  Preassigned    5.12, 6.92 A)
 &rst
  ixpk= 3791, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 364, 365,
 igr2= 346, 347, 348,
 &end
#
#    0 AMB  25-3:3792    22 THR  QG2         4.50    (#   3792:25  Single Ambig)
 &rst
  ixpk= 3792, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 377, 378, 377, 378, 852, 853,
 igr2= 346, 347, 348,
 &end
#
#    0 AMB  25-3:3793    22 THR  QG2         5.50    (#   3793:25  Single Ambig)
 &rst
  ixpk= 3793, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 380, 381, 380, 381, 821, 822,
 igr2= 346, 347, 348,
 &end
#
#    0 AMB  25-3:3794    22 THR  QG2         4.50    (#   3794:25  Single Ambig)
 &rst
  ixpk= 3794, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 358, 332, 333, 833, 834,
 igr2= 346, 347, 348,
 &end
#
#   25 ASN  HB-          22 THR  QG2         5.50    (#   3795:25  Preassigned    5.86, 7.24 A)
 &rst
  ixpk= 3795, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 392, 393,
 igr2= 346, 347, 348,
 &end
#
#   21 ASP  HB-          22 THR  QG2         5.50    (#   3796:25  Preassigned    5.81, 7.07 A)
 &rst
  ixpk= 3796, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 332, 333,
 igr2= 346, 347, 348,
 &end
#
#   25 ASN  HB+          22 THR  QG2         5.50    (#   3797:25  Preassigned    5.86, 7.24 A)
 &rst
  ixpk= 3797, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 392, 393,
 igr2= 346, 347, 348,
 &end
#
#   23 ILE  HA           22 THR  QG2         7.00    (#   3798:25  Preassigned    6.21, 6.76 A)
 &rst
  ixpk= 3798, nxpk= 25, iat= 356,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 346, 347, 348,
 &end
#
#   24 GLU  HA           22 THR  QG2         7.00    (#   3799:25  Preassigned    7.22, 7.49 A)
 &rst
  ixpk= 3799, nxpk= 25, iat= 375,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 346, 347, 348,
 &end
#
#   53 GLY  HA-          22 THR  QG2         4.50    (#   3800:25  Preassigned    3.91, 5.29 A)
 &rst
  ixpk= 3800, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 843, 844,
 igr2= 346, 347, 348,
 &end
#
#    0 AMB  25-3:3801    22 THR  QG2         5.50    (#   3801:25  Single Ambig)
 &rst
  ixpk= 3801, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 831, 319,
 igr2= 346, 347, 348,
 &end
#
#   55 THR  HB           22 THR  QG2         4.50    (#   3802:25  Unique         4.54, 5.22 A)
 &rst
  ixpk= 3802, nxpk= 25, iat= 876,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 346, 347, 348,
 &end
#
#    0 AMB  25-3:3803    22 THR  QG2         3.50    (#   3803:25  Single Ambig)
 &rst
  ixpk= 3803, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 850, 330,
 igr2= 346, 347, 348,
 &end
#
#   22 THR  HA           22 THR  QG2         2.80    (#   3804:25  Preassigned    2.37, 2.92 A)
 &rst
  ixpk= 3804, nxpk= 25, iat= 342,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 346, 347, 348,
 &end
#
#   55 THR  HA           22 THR  QG2         3.50    (#   3805:25  Preassigned    3.48, 4.31 A)
 &rst
  ixpk= 3805, nxpk= 25, iat= 874,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 346, 347, 348,
 &end
#
#   22 THR  HB           22 THR  QG2         2.80    (#   3807:25  Preassigned    2.33, 2.64 A)
 &rst
  ixpk= 3807, nxpk= 25, iat= 344,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 346, 347, 348,
 &end
#
#   25 ASN  HD2+         22 THR  QG2         5.50    (#   3808:25  Preassigned    5.35, 6.68 A)
 &rst
  ixpk= 3808, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 397, 398,
 igr2= 346, 347, 348,
 &end
#
#   54 ARG  HN           22 THR  QG2         5.50    (#   3809:25  Preassigned    4.40, 5.47 A)
 &rst
  ixpk= 3809, nxpk= 25, iat= 848,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 346, 347, 348,
 &end
#
#   22 THR  HN           22 THR  QG2         3.50    (#   3810:25  Preassigned    2.70, 3.57 A)
 &rst
  ixpk= 3810, nxpk= 25, iat= 340,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 346, 347, 348,
 &end
#
#    0 AMB  25-3:3811    22 THR  QG2         5.50    (#   3811:25  Single Ambig)
 &rst
  ixpk= 3811, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 886, 402,
 igr2= 346, 347, 348,
 &end
#
#   23 ILE  HN           22 THR  QG2         3.50    (#   3812:25  Preassigned    3.67, 4.42 A)
 &rst
  ixpk= 3812, nxpk= 25, iat= 354,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 346, 347, 348,
 &end
#
#   55 THR  HN           22 THR  QG2         5.50    (#   3813:25  Preassigned    4.29, 5.39 A)
 &rst
  ixpk= 3813, nxpk= 25, iat= 872,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 346, 347, 348,
 &end
#
#   57 SER  HN           55 THR  QG2         4.50    (#   3815:25  Preassigned    5.16, 5.50 A)
 &rst
  ixpk= 3815, nxpk= 25, iat= 905,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 878, 879, 880,
 &end
#
#    0 AMB  25-3:3816     0 AMB  25-1:3816   3.50    (#   3816:25  Double Ambig)
 &rst
  ixpk= 3816, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr1= 858, 859,1204,1205,1204,1205,1204,1205,
 igr2= 855, 856,1201,1202,1201,1202,1201,1202,
 &end
#
#    0 AMB  25-3:3818     1 MET  HA          3.50    (#   3818:25  Single Ambig)
 &rst
  ixpk= 3818, nxpk= 25, iat=  -1,   6, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  11,  12,1003,1004,
 &end
#
#   36 ILE  QD1          36 ILE  HA          7.00    (#   3819:25  Preassigned    4.42, 4.68 A)
 &rst
  ixpk= 3819, nxpk= 25, iat=  -1, 566, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 577, 578, 579,
 &end
#
#   36 ILE  HG1+         36 ILE  HA          3.50    (#   3820:25  Preassigned    2.60, 2.81 A)
 &rst
  ixpk= 3820, nxpk= 25, iat=  -1, 566, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 574, 575,
 &end
#
#   37 PRO  HG+          36 ILE  HA          4.50    (#   3821:25  Preassigned    4.25, 4.29 A)
 &rst
  ixpk= 3821, nxpk= 25, iat=  -1, 566, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 587, 588,
 &end
#
#    0 AMB  25-3:3822    36 ILE  HA          4.50    (#   3822:25  Single Ambig)
 &rst
  ixpk= 3822, nxpk= 25, iat=  -1, 566, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 590, 591, 630, 631, 630, 631,
 &end
#
#   36 ILE  HN           36 ILE  HA          4.50    (#   3823:25  Preassigned    2.94, 2.94 A)
 &rst
  ixpk= 3823, nxpk= 25, iat= 564, 566, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   64 GLU  HA           63 LYS  HA          4.50    (#   3824:25  Preassigned    4.42, 4.43 A)
 &rst
  ixpk= 3824, nxpk= 25, iat=1023,1001, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    3 ILE  QG2          63 LYS  HA          4.50    (#   3825:25  Preassigned    3.46, 4.33 A)
 &rst
  ixpk= 3825, nxpk= 25, iat=  -1,1001, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  44,  45,  46,
 &end
#
#    3 ILE  QG2          64 GLU  HA          4.50    (#   3826:25  Preassigned    4.01, 5.11 A)
 &rst
  ixpk= 3826, nxpk= 25, iat=  -1,1023, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  44,  45,  46,
 &end
#
#   14 THR  QG2          64 GLU  HA          5.50    (#   3827:25  Unique         4.83, 5.38 A)
 &rst
  ixpk= 3827, nxpk= 25, iat=  -1,1023, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 230, 231, 232,
 &end
#
#    0 AMB  25-3:3828    64 GLU  HA          5.50    (#   3828:25  Single Ambig)
 &rst
  ixpk= 3828, nxpk= 25, iat=  -1,1023, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1006,1007,1006,1007,
 &end
#
#    0 AMB  25-3:3829    64 GLU  HA          5.50    (#   3829:25  Single Ambig)
 &rst
  ixpk= 3829, nxpk= 25, iat=  -1,1023, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1=  25,  26,  15,  16,  17,1009,1010,
 &end
#
#    0 AMB  25-3:3830    64 GLU  HA          5.50    (#   3830:25  Single Ambig)
 &rst
  ixpk= 3830, nxpk= 25, iat=  -1,1023, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  42,1009,1010,
 &end
#
#    0 AMB  25-3:3831    64 GLU  HA          4.50    (#   3831:25  Single Ambig)
 &rst
  ixpk= 3831, nxpk= 25, iat=  -1,1023, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  28,  29,1003,1004,
 &end
#
#    1 MET  HB-          64 GLU  HA          5.50    (#   3832:25  Preassigned    5.74, 6.68 A)
 &rst
  ixpk= 3832, nxpk= 25, iat=  -1,1023, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=   8,   9,
 &end
#
#    0 AMB  25-3:3833    64 GLU  HA          4.50    (#   3833:25  Single Ambig)
 &rst
  ixpk= 3833, nxpk= 25, iat=  -1,1023, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1001,1040,1041,
 &end
#
#    3 ILE  HA           64 GLU  HA          4.50    (#   3834:25  Preassigned    3.13, 3.18 A)
 &rst
  ixpk= 3834, nxpk= 25, iat=  40,1023, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    4 PHE  HD1          64 GLU  HA          4.50    (#   3835:25  Preassigned    4.44, 4.47 A)
 &rst
  ixpk= 3835, nxpk= 25, iat=  65,1023, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   65 SER  HN           64 GLU  HA          4.50    (#   3836:25  Preassigned    2.57, 2.59 A)
 &rst
  ixpk= 3836, nxpk= 25, iat=1036,1023, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    4 PHE  HN           64 GLU  HA          4.50    (#   3837:25  Preassigned    4.05, 4.15 A)
 &rst
  ixpk= 3837, nxpk= 25, iat=  57,1023, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:3838    52 ASP  HA          4.50    (#   3838:25  Single Ambig)
 &rst
  ixpk= 3838, nxpk= 25, iat=  -1, 831, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 377, 378, 377, 378,
 &end
#
#   54 ARG  HN           52 ASP  HA          5.50    (#   3839:25  Preassigned    3.67, 3.91 A)
 &rst
  ixpk= 3839, nxpk= 25, iat= 848, 831, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   52 ASP  HN           52 ASP  HA          3.50    (#   3840:25  Preassigned    2.75, 2.76 A)
 &rst
  ixpk= 3840, nxpk= 25, iat= 829, 831, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   23 ILE  HN           52 ASP  HA          4.50    (#   3841:25  Preassigned    3.50, 3.60 A)
 &rst
  ixpk= 3841, nxpk= 25, iat= 354, 831, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   13 ILE  QG2          34 GLU  HG+         3.50    (#   3843:25  Preassigned    2.80, 4.04 A)
 &rst
  ixpk= 3843, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 211, 212, 213,
 igr2= 549, 550,
 &end
#
#    0 AMB  25-3:3844     0 AMB  25-1:3844   5.50    (#   3844:25  Double Ambig)
 &rst
  ixpk= 3844, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1=1101,1102, 215, 216, 574, 575,
 igr2= 549, 550, 549, 550, 549, 550,
 &end
#
#    0 AMB  25-3:3845     0 AMB  25-1:3845   4.50    (#   3845:25  Double Ambig)
 &rst
  ixpk= 3845, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 574, 575, 176, 177, 568,
 igr2= 549, 550, 549, 550, 549, 550,
 &end
#
#   34 GLU  HA           34 GLU  HG+         4.50    (#   3846:25  Preassigned    3.24, 3.46 A)
 &rst
  ixpk= 3846, nxpk= 25, iat= 544,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 549, 550,
 &end
#
#   33 LYS  HN           34 GLU  HG+         5.50    (#   3847:25  Preassigned    4.11, 5.02 A)
 &rst
  ixpk= 3847, nxpk= 25, iat= 520,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 549, 550,
 &end
#
#   35 GLY  HN           34 GLU  HG+         5.50    (#   3848:25  Preassigned    4.37, 4.81 A)
 &rst
  ixpk= 3848, nxpk= 25, iat= 557,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 549, 550,
 &end
#
#   34 GLU  HN           34 GLU  HG+         4.50    (#   3849:25  Preassigned    3.06, 3.75 A)
 &rst
  ixpk= 3849, nxpk= 25, iat= 542,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 549, 550,
 &end
#
#    0 AMB  25-3:3850    27 LYS  HD-         4.50    (#   3850:25  Single Ambig)
 &rst
  ixpk= 3850, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 360, 361, 362, 690, 691, 692, 694, 695, 696, 690,
       691, 692, 694, 695, 696,
 igr2= 428, 429,
 &end
#
#   27 LYS  HE+          27 LYS  HD-         4.50    (#   3851:25  Preassigned    2.22, 2.69 A)
 &rst
  ixpk= 3851, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 431, 432,
 igr2= 428, 429,
 &end
#
#   24 GLU  HA           27 LYS  HD-         5.50    (#   3852:25  Preassigned    3.35, 4.29 A)
 &rst
  ixpk= 3852, nxpk= 25, iat= 375,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 428, 429,
 &end
#
#   38 PRO  HA           27 LYS  HD-         5.50    (#   3853:25  Preassigned    2.74, 3.53 A)
 &rst
  ixpk= 3853, nxpk= 25, iat= 607,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 428, 429,
 &end
#
#   27 LYS  HA           27 LYS  HD-         5.50    (#   3854:25  Preassigned    3.65, 4.22 A)
 &rst
  ixpk= 3854, nxpk= 25, iat= 420,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 428, 429,
 &end
#
#    0 AMB  25-3:3855    27 LYS  HD-         4.50    (#   3855:25  Single Ambig)
 &rst
  ixpk= 3855, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 418,1151, 611,
 igr2= 428, 429,
 &end
#
#    0 AMB  25-3:3856     0 AMB  25-1:3856   4.50    (#   3856:25  Double Ambig)
 &rst
  ixpk= 3856, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 418,1151, 611,
 igr2= 428, 429, 428, 429, 428, 429,
 &end
#
#    1 MET  QE           56 LEU  HB-         5.50    (#   3857:25  Preassigned    3.19, 4.00 A)
 &rst
  ixpk= 3857, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  15,  16,  17,
 igr2= 890, 891,
 &end
#
#   65 SER  HA           61 ILE  QG2         5.50    (#   3858:25  Preassigned    4.36, 5.06 A)
 &rst
  ixpk= 3858, nxpk= 25, iat=1038,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 969, 970, 971,
 &end
#
#    0 AMB  25-3:3859     0 AMB  25-1:3859   4.50    (#   3859:25  Double Ambig)
 &rst
  ixpk= 3859, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 264, 265,  28,  29,
 igr2=  25,  26,  25,  26,
 &end
#
#    0 AMB  25-3:3860     0 AMB  25-1:3860   3.50    (#   3860:25  Double Ambig)
 &rst
  ixpk= 3860, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1012,1013,1012,1013,
 igr2=1009,1010,1009,1010,
 &end
#
#    1 MET  HA            1 MET  HG-         4.50    (#   3862:25  Preassigned    3.58, 3.64 A)
 &rst
  ixpk= 3862, nxpk= 25, iat=   6,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  11,  12,
 &end
#
#    5 VAL  HB           12 THR  QG2         5.50    (#   3863:25  Unique         5.38, 6.48 A)
 &rst
  ixpk= 3863, nxpk= 25, iat=  81,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 197, 198, 199,
 &end
#
#   68 HIS  HD2           6 LYS  HG+         7.00    (#   3864:25  Preassigned    5.64, 7.14 A)
 &rst
  ixpk= 3864, nxpk= 25, iat=1093,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 100, 101,
 &end
#
#  106   ARG    HN   102   ALA     O    2.20
 &rst
  ixpk= 0, nxpk= 0, iat=1704,1641, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, 
      rk2=40.0, rk3=40.0, ir6=1, ialtd=0,
 &end
#
#  106   ARG     N   102   ALA     O    3.20
 &rst
  ixpk= 0, nxpk= 0, iat=1703,1641, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#  105   LYS    HN   101   LEU     O    2.20
 &rst
  ixpk= 0, nxpk= 0, iat=1682,1631, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#  105   LYS     N   101   LEU     O    3.20
 &rst
  ixpk= 0, nxpk= 0, iat=1681,1631, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#  104   TRP    HN   100   LEU     O    2.20
 &rst
  ixpk= 0, nxpk= 0, iat=1658,1612, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#  104   TRP     N   100   LEU     O    3.20
 &rst
  ixpk= 0, nxpk= 0, iat=1657,1612, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#  103   GLU    HN    99   GLU     O    2.20
 &rst
  ixpk= 0, nxpk= 0, iat=1643,1593, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#  103   GLU     N    99   GLU     O    3.20
 &rst
  ixpk= 0, nxpk= 0, iat=1642,1593, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#  102   ALA    HN    98   LYS     O    2.20
 &rst
  ixpk= 0, nxpk= 0, iat=1633,1578, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#  102   ALA     N    98   LYS     O    3.20
 &rst
  ixpk= 0, nxpk= 0, iat=1632,1578, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#  101   LEU    HN    97   GLN     O    2.20
 &rst
  ixpk= 0, nxpk= 0, iat=1614,1556, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#  101   LEU     N    97   GLN     O    3.20
 &rst
  ixpk= 0, nxpk= 0, iat=1613,1556, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#  100   LEU    HN    96   VAL     O    2.20
 &rst
  ixpk= 0, nxpk= 0, iat=1595,1539, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#  100   LEU     N    96   VAL     O    3.20
 &rst
  ixpk= 0, nxpk= 0, iat=1594,1539, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#   99   GLU    HN    95   ALA     O    2.20
 &rst
  ixpk= 0, nxpk= 0, iat=1580,1523, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#   99   GLU     N    95   ALA     O    3.20
 &rst
  ixpk= 0, nxpk= 0, iat=1579,1523, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#   98   LYS    HN    94   GLU     O    2.20
 &rst
  ixpk= 0, nxpk= 0, iat=1558,1513, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#   98   LYS     N    94   GLU     O    3.20
 &rst
  ixpk= 0, nxpk= 0, iat=1557,1513, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#   91   GLU    HN    87   GLN     O    2.20
 &rst
  ixpk= 0, nxpk= 0, iat=1452,1393, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#   91   GLU     N    87   GLN     O    3.20
 &rst
  ixpk= 0, nxpk= 0, iat=1451,1393, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#   90   TYR    HN    86   PRO     O    2.20
 &rst
  ixpk= 0, nxpk= 0, iat=1431,1376, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#   90   TYR     N    86   PRO     O    3.20
 &rst
  ixpk= 0, nxpk= 0, iat=1430,1376, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#    3   ILE    HN    15   LEU     O    2.20
 &rst
  ixpk= 0, nxpk= 0, iat=  38, 255, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#    3   ILE     N    15   LEU     O    3.20
 &rst
  ixpk= 0, nxpk= 0, iat=  37, 255, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#    4   PHE    HN    65   SER     O    2.20
 &rst
  ixpk= 0, nxpk= 0, iat=  57,1045, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#    4   PHE     N    65   SER     O    3.20
 &rst
  ixpk= 0, nxpk= 0, iat=  56,1045, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#    5   VAL    HN    13   ILE     O    2.20
 &rst
  ixpk= 0, nxpk= 0, iat=  77, 222, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#    5   VAL     N    13   ILE     O    3.20
 &rst
  ixpk= 0, nxpk= 0, iat=  76, 222, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#    6   LYS    HN    67   LEU     O    2.20
 &rst
  ixpk= 0, nxpk= 0, iat=  93,1078, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#    6   LYS     N    67   LEU     O    3.20
 &rst
  ixpk= 0, nxpk= 0, iat=  92,1078, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#    7   THR    HN    11   LYS     O    2.20
 &rst
  ixpk= 0, nxpk= 0, iat= 115, 189, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#    7   THR     N    11   LYS     O    3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 114, 189, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#   13   ILE    HN     5   VAL     O    2.20
 &rst
  ixpk= 0, nxpk= 0, iat= 205,  91, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#   13   ILE     N     5   VAL     O    3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 204,  91, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#   15   LEU    HN     3   ILE     O    2.20
 &rst
  ixpk= 0, nxpk= 0, iat= 238,  55, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#   15   LEU     N     3   ILE     O    3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 237,  55, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#   17   VAL    HN     1   MET     O    2.20
 &rst
  ixpk= 0, nxpk= 0, iat= 272,  19, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#   17   VAL     N     1   MET     O    3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 271,  19, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#   21   ASP    HN    18   GLU     O    2.20
 &rst
  ixpk= 0, nxpk= 0, iat= 328, 301, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#   21   ASP     N    18   GLU     O    3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 327, 301, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#   23   ILE    HN    54   ARG     O    2.20
 &rst
  ixpk= 0, nxpk= 0, iat= 354, 870, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#   23   ILE     N    54   ARG     O    3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 353, 870, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#   24   GLU    HN    52   ASP     O    2.20
 &rst
  ixpk= 0, nxpk= 0, iat= 373, 839, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#   24   GLU     N    52   ASP     O    3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 372, 839, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#   26   VAL    HN    22   THR     O    2.20
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 352, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#   26   VAL     N    22   THR     O    3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 401, 352, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#   27   LYS    HN    23   ILE     O    2.20
 &rst
  ixpk= 0, nxpk= 0, iat= 418, 371, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#   27   LYS     N    23   ILE     O    3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 417, 371, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#   28   ALA    HN    24   GLU     O    2.20
 &rst
  ixpk= 0, nxpk= 0, iat= 440, 386, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#   28   ALA     N    24   GLU     O    3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 439, 386, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#   29   LYS    HN    25   ASN     O    2.20
 &rst
  ixpk= 0, nxpk= 0, iat= 450, 400, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#   29   LYS     N    25   ASN     O    3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 449, 400, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#   30   ILE    HN    26   VAL     O    2.20
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 416, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#   30   ILE     N    26   VAL     O    3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 471, 416, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#   31   GLN    HN    27   LYS     O    2.20
 &rst
  ixpk= 0, nxpk= 0, iat= 491, 438, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#   31   GLN     N    27   LYS     O    3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 490, 438, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#   32   ASP    HN    28   ALA     O    2.20
 &rst
  ixpk= 0, nxpk= 0, iat= 508, 448, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#   32   ASP     N    28   ALA     O    3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 507, 448, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#   33   LYS    HN    29   LYS     O    2.20
 &rst
  ixpk= 0, nxpk= 0, iat= 520, 470, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#   33   LYS     N    29   LYS     O    3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 519, 470, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#   34   GLU    HN    30   ILE     O    2.20
 &rst
  ixpk= 0, nxpk= 0, iat= 542, 489, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#   34   GLU     N    30   ILE     O    3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 541, 489, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#   35   GLY    HN    31   GLN     O    2.20
 &rst
  ixpk= 0, nxpk= 0, iat= 557, 506, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#   35   GLY     N    31   GLN     O    3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 556, 506, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#   40   GLN    HN    37   PRO     O    2.20
 &rst
  ixpk= 0, nxpk= 0, iat= 623, 595, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#   40   GLN     N    37   PRO     O    3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 622, 595, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#   41   GLN    HN    38   PRO     O    2.20
 &rst
  ixpk= 0, nxpk= 0, iat= 640, 609, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#   41   GLN     N    38   PRO     O    3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 639, 609, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#   42   ARG    HN    70   VAL     O    2.20
 &rst
  ixpk= 0, nxpk= 0, iat= 657,1130, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#   42   ARG     N    70   VAL     O    3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 656,1130, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#   44   ILE    HN    68   HIE     O    2.20
 &rst
  ixpk= 0, nxpk= 0, iat= 700,1095, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#   44   ILE     N    68   HIE     O    3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 699,1095, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#   45   PHE    HN    48   LYS     O    2.20
 &rst
  ixpk= 0, nxpk= 0, iat= 719, 776, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#   45   PHE     N    48   LYS     O    3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 718, 776, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#   48   LYS    HN    45   PHE     O    2.20
 &rst
  ixpk= 0, nxpk= 0, iat= 756, 737, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#   48   LYS     N    45   PHE     O    3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 755, 737, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#   50   LEU    HN    43   LEU     O    2.20
 &rst
  ixpk= 0, nxpk= 0, iat= 795, 698, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#   50   LEU     N    43   LEU     O    3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 794, 698, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#   54   ARG    HN    51   GLU     O    2.20
 &rst
  ixpk= 0, nxpk= 0, iat= 848, 827, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#   54   ARG     N    51   GLU     O    3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 847, 827, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#   56   LEU    HN    21   ASP     O    2.20
 &rst
  ixpk= 0, nxpk= 0, iat= 886, 338, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#   56   LEU     N    21   ASP     O    3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 885, 338, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#   57   SER    HN    19   PRO     O    2.20
 &rst
  ixpk= 0, nxpk= 0, iat= 905, 315, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#   57   SER     N    19   PRO     O    3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 904, 315, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#   58   ASP    HN    55   THR     O    2.20
 &rst
  ixpk= 0, nxpk= 0, iat= 916, 884, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#   58   ASP     N    55   THR     O    3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 915, 884, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#   59   TYR    HN    56   LEU     O    2.20
 &rst
  ixpk= 0, nxpk= 0, iat= 928, 903, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#   59   TYR     N    56   LEU     O    3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 927, 903, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#   60   ASN    HN    57   SER     O    2.20
 &rst
  ixpk= 0, nxpk= 0, iat= 949, 914, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#   60   ASN     N    57   SER     O    3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 948, 914, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#   64   GLU    HN     2   GLN     O    2.20
 &rst
  ixpk= 0, nxpk= 0, iat=1021,  36, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#   64   GLU     N     2   GLN     O    3.20
 &rst
  ixpk= 0, nxpk= 0, iat=1020,  36, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#   67   LEU    HN     4   PHE     O    2.20
 &rst
  ixpk= 0, nxpk= 0, iat=1061,  75, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#   67   LEU     N     4   PHE     O    3.20
 &rst
  ixpk= 0, nxpk= 0, iat=1060,  75, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#   68   HIE    HN    44   ILE     O    2.20
 &rst
  ixpk= 0, nxpk= 0, iat=1080, 717, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#   68   HIE     N    44   ILE     O    3.20
 &rst
  ixpk= 0, nxpk= 0, iat=1079, 717, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#   69   LEU    HN     6   LYS     O    2.20
 &rst
  ixpk= 0, nxpk= 0, iat=1097, 113, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#   69   LEU     N     6   LYS     O    3.20
 &rst
  ixpk= 0, nxpk= 0, iat=1096, 113, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#   70   VAL    HN    42   ARG     O    2.20
 &rst
  ixpk= 0, nxpk= 0, iat=1116, 679, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#   70   VAL     N    42   ARG     O    3.20
 &rst
  ixpk= 0, nxpk= 0, iat=1115, 679, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#   72   ARG    HN    40   GLN     O    2.20
 &rst
  ixpk= 0, nxpk= 0, iat=1151, 638, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#   72   ARG     N    40   GLN     O    3.20
 &rst
  ixpk= 0, nxpk= 0, iat=1150, 638, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#  104   TRP     HD1 104   TRP       H    4.50   (#            ARO)
 &rst
  ixpk= 0, nxpk= 0, iat=1666,1658, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
#  104   TRP     HD1 104   TRP      HA    3.50   (#            ARO)
 &rst
  ixpk= 0, nxpk= 0, iat=1666,1660, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   73   LEU     QQD  99   GLU      QG    4.50   (#        3695:25)
 &rst
  ixpk= 3695, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1184,1185,1186,1188,1189,1190,
 igr2=1587,1588,
 &end
#
#   71   LEU     QQD 103   GLU      QB    5.50   (#        3685:25)
 &rst
  ixpk= 3685, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1141,1142,1143,1145,1146,1147,
 igr2=1647,1648,
 &end
#
#    8   LEU      HA 104   TRP     HZ2    7.00   (#         0:FE3D)
 &rst
  ixpk= 0, nxpk= 25, iat= 131,1671, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   72   ARG      HA 104   TRP     HD1    4.50   (#         1:FE3D)
 &rst
  ixpk= 1, nxpk= 25, iat=1153,1666, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    8   LEU      HA  89   PHE      QB    5.50   (#         2:FE3D)
 &rst
  ixpk= 2, nxpk= 25, iat= 131,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1415,1416,
 &end
#
#    8   LEU      HA  88   VAL      HB    3.50   (#         3:FE3D)
 &rst
  ixpk= 3, nxpk= 25, iat= 131,1399, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    8   LEU      HA  88   VAL     QQG    3.50   (#         4:FE3D)
 &rst
  ixpk= 4, nxpk= 25, iat= 131,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#    8   LEU      HA  88   VAL     QQG    3.50   (#         5:FE3D)
 &rst
  ixpk= 5, nxpk= 25, iat= 131,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#    8   LEU      HA  84   ILE     QG1    7.00   (#         6:FE3D)
 &rst
  ixpk= 6, nxpk= 25, iat= 131,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1343,1344,
 &end
#
#    8   LEU      HA  92   LEU     QQD    5.50   (#         7:FE3D)
 &rst
  ixpk= 7, nxpk= 25, iat= 131,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1476,1477,1478,1480,1481,1482,
 &end
#
#    8   LEU      HA  84   ILE      HB    7.00   (#         8:FE3D)
 &rst
  ixpk= 8, nxpk= 25, iat= 131,1337, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   10   GLY      QA  85   ASP      QB    3.50   (#         9:FE3D)
 &rst
  ixpk= 9, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 164, 165,
 igr2=1356,1357,
 &end
#
#   10   GLY      QA  85   ASP      QB    3.50   (#        10:FE3D)
 &rst
  ixpk= 10, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 164, 165,
 igr2=1356,1357,
 &end
#
#   10   GLY      QA  88   VAL     QQG    3.50   (#        11:FE3D)
 &rst
  ixpk= 11, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 164, 165,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#   10   GLY      QA  88   VAL     QQG    3.50   (#        12:FE3D)
 &rst
  ixpk= 12, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 164, 165,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#   47   GLY      QA  93   PRO      QB    4.50   (#        13:FE3D)
 &rst
  ixpk= 13, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 751, 752,
 igr2=1493,1494,
 &end
#
#   47   GLY      QA  93   PRO      QB    4.50   (#        14:FE3D)
 &rst
  ixpk= 14, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 751, 752,
 igr2=1493,1494,
 &end
#
#   47   GLY      QA  93   PRO      QB    4.50   (#        15:FE3D)
 &rst
  ixpk= 15, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 751, 752,
 igr2=1493,1494,
 &end
#
#   47   GLY      QA  93   PRO      QB    4.50   (#        16:FE3D)
 &rst
  ixpk= 16, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 751, 752,
 igr2=1493,1494,
 &end
#
#    6   LYS      QE  88   VAL     QQG    3.50   (#        20:FE3D)
 &rst
  ixpk= 20, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 106, 107,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#    6   LYS      QB  88   VAL     QQG    3.50   (#        21:FE3D)
 &rst
  ixpk= 21, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=  97,  98,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#    6   LYS      QB  88   VAL     QQG    3.50   (#        22:FE3D)
 &rst
  ixpk= 22, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=  97,  98,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#    6   LYS      QD  88   VAL     QQG    3.50   (#        24:FE3D)
 &rst
  ixpk= 24, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 103, 104,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#    6   LYS      QD  88   VAL     QQG    3.50   (#        25:FE3D)
 &rst
  ixpk= 25, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 103, 104,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#    6   LYS      QD  88   VAL      HB    4.50   (#        26:FE3D)
 &rst
  ixpk= 26, nxpk= 25, iat=  -1,1399, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 103, 104,
 &end
#
#    6   LYS      QD  89   PHE      QB    7.00   (#        27:FE3D)
 &rst
  ixpk= 27, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 103, 104,
 igr2=1415,1416,
 &end
#
#    8   LEU      HG 104   TRP     HZ2    4.50   (#        28:FE3D)
 &rst
  ixpk= 28, nxpk= 25, iat= 136,1671, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    8   LEU      HG 104   TRP     HH2    5.50   (#        29:FE3D)
 &rst
  ixpk= 29, nxpk= 25, iat= 136,1673, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    8   LEU      HG  88   VAL      HB    5.50   (#        30:FE3D)
 &rst
  ixpk= 30, nxpk= 25, iat= 136,1399, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    8   LEU      HG  84   ILE      HB    7.00   (#        32:FE3D)
 &rst
  ixpk= 32, nxpk= 25, iat= 136,1337, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    8   LEU      HG  84   ILE     QG2    7.00   (#        33:FE3D)
 &rst
  ixpk= 33, nxpk= 25, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1339,1340,1341,
 &end
#
#    8   LEU      HG  88   VAL     QQG    4.50   (#        34:FE3D)
 &rst
  ixpk= 34, nxpk= 25, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#    8   LEU      HG  88   VAL     QQG    4.50   (#        35:FE3D)
 &rst
  ixpk= 35, nxpk= 25, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#    8   LEU      HG 100   LEU     QQD    4.50   (#        36:FE3D)
 &rst
  ixpk= 36, nxpk= 25, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1604,1605,1606,1608,1609,1610,
 &end
#
#    8   LEU      HG  92   LEU     QQD    4.50   (#        37:FE3D)
 &rst
  ixpk= 37, nxpk= 25, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1476,1477,1478,1480,1481,1482,
 &end
#
#   72   ARG      QB 104   TRP     HD1    7.00   (#        38:FE3D)
 &rst
  ixpk= 38, nxpk= 25, iat=  -1,1666, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1155,1156,
 &end
#
#   72   ARG      QB  99   GLU      QG    5.50   (#        39:FE3D)
 &rst
  ixpk= 39, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1155,1156,
 igr2=1587,1588,
 &end
#
#   73   LEU      HG 104   TRP     HD1    4.50   (#        40:FE3D)
 &rst
  ixpk= 40, nxpk= 25, iat=1182,1666, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   73   LEU      HG 104   TRP      QB    7.00   (#        42:FE3D)
 &rst
  ixpk= 42, nxpk= 25, iat=1182,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1662,1663,
 &end
#
#   73   LEU      HG 103   GLU      QG    5.50   (#        43:FE3D)
 &rst
  ixpk= 43, nxpk= 25, iat=1182,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1650,1651,
 &end
#
#    8   LEU     QQD 104   TRP     HZ2    4.50   (#        45:FE3D)
 &rst
  ixpk= 45, nxpk= 25, iat=  -1,1671, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#    8   LEU     QQD  89   PHE      QE    4.50   (#        46:FE3D)
 &rst
  ixpk= 46, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 138, 139, 140, 142, 143, 144,
 igr2=1421,1425,
 &end
#
#    8   LEU     QQD 104   TRP     HH2    3.50   (#        47:FE3D)
 &rst
  ixpk= 47, nxpk= 25, iat=  -1,1673, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#    8   LEU     QQD  89   PHE      QD    4.50   (#        48:FE3D)
 &rst
  ixpk= 48, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 138, 139, 140, 142, 143, 144,
 igr2=1419,1427,
 &end
#
#    8   LEU     QQD  88   VAL      HB    3.50   (#        49:FE3D)
 &rst
  ixpk= 49, nxpk= 25, iat=  -1,1399, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#    8   LEU     QQD  84   ILE      HB    4.50   (#        51:FE3D)
 &rst
  ixpk= 51, nxpk= 25, iat=  -1,1337, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#    8   LEU     QQD  88   VAL     QQG    4.50   (#        52:FE3D)
 &rst
  ixpk= 52, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 138, 139, 140, 142, 143, 144,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#    8   LEU     QQD  88   VAL     QQG    4.50   (#        53:FE3D)
 &rst
  ixpk= 53, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 138, 139, 140, 142, 143, 144,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#    8   LEU     QQD  92   LEU      QB    4.50   (#        54:FE3D)
 &rst
  ixpk= 54, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 138, 139, 140, 142, 143, 144,
 igr2=1471,1472,
 &end
#
#    8   LEU     QQD  97   GLN      QG    4.50   (#        55:FE3D)
 &rst
  ixpk= 55, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 138, 139, 140, 142, 143, 144,
 igr2=1548,1549,
 &end
#
#    8   LEU     QQD  92   LEU      QB    4.50   (#        56:FE3D)
 &rst
  ixpk= 56, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 138, 139, 140, 142, 143, 144,
 igr2=1471,1472,
 &end
#
#    8   LEU     QQD  84   ILE      HB    5.50   (#        58:FE3D)
 &rst
  ixpk= 58, nxpk= 25, iat=  -1,1337, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#    8   LEU     QQD  89   PHE      QB    5.50   (#        59:FE3D)
 &rst
  ixpk= 59, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 138, 139, 140, 142, 143, 144,
 igr2=1415,1416,
 &end
#
#   73   LEU     QQD 104   TRP     HD1    4.50   (#        60:FE3D)
 &rst
  ixpk= 60, nxpk= 25, iat=  -1,1666, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1184,1185,1186,1188,1189,1190,
 &end
#
#   73   LEU     QQD  99   GLU      QG    5.50   (#        61:FE3D)
 &rst
  ixpk= 61, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1184,1185,1186,1188,1189,1190,
 igr2=1587,1588,
 &end
#
#   73   LEU     QQD 103   GLU      QG    3.50   (#        62:FE3D)
 &rst
  ixpk= 62, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1184,1185,1186,1188,1189,1190,
 igr2=1650,1651,
 &end
#
#   73   LEU     QQD  99   GLU      QG    4.50   (#        63:FE3D)
 &rst
  ixpk= 63, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1184,1185,1186,1188,1189,1190,
 igr2=1587,1588,
 &end
#
#   73   LEU     QQD  99   GLU      QB    4.50   (#        64:FE3D)
 &rst
  ixpk= 64, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1184,1185,1186,1188,1189,1190,
 igr2=1584,1585,
 &end
#
#   73   LEU     QQD 103   GLU      QB    4.50   (#        65:FE3D)
 &rst
  ixpk= 65, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1184,1185,1186,1188,1189,1190,
 igr2=1647,1648,
 &end
#
#   70   VAL     QQG 104   TRP     HZ2    4.50   (#        66:FE3D)
 &rst
  ixpk= 66, nxpk= 25, iat=  -1,1671, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1122,1123,1124,1126,1127,1128,
 &end
#
#   70   VAL     QQG  89   PHE      QD    5.50   (#        67:FE3D)
 &rst
  ixpk= 67, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1122,1123,1124,1126,1127,1128,
 igr2=1419,1427,
 &end
#
#   70   VAL     QQG  89   PHE      HA    5.50   (#        69:FE3D)
 &rst
  ixpk= 69, nxpk= 25, iat=  -1,1413, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1122,1123,1124,1126,1127,1128,
 &end
#
#   70   VAL     QQG  99   GLU      QB    5.50   (#        70:FE3D)
 &rst
  ixpk= 70, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1122,1123,1124,1126,1127,1128,
 igr2=1584,1585,
 &end
#
#   70   VAL     QQG  96   VAL      HB    5.50   (#        71:FE3D)
 &rst
  ixpk= 71, nxpk= 25, iat=  -1,1529, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1122,1123,1124,1126,1127,1128,
 &end
#
#   70   VAL     QQG  88   VAL     QQG    7.00   (#        72:FE3D)
 &rst
  ixpk= 72, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.72, r4=13.22,
 igr1=1122,1123,1124,1126,1127,1128,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#   70   VAL     QQG  92   LEU      QB    4.50   (#        73:FE3D)
 &rst
  ixpk= 73, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1122,1123,1124,1126,1127,1128,
 igr2=1471,1472,
 &end
#
#   70   VAL     QQG  88   VAL     QQG    5.50   (#        74:FE3D)
 &rst
  ixpk= 74, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1=1122,1123,1124,1126,1127,1128,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#   70   VAL     QQG  96   VAL     QQG    4.50   (#        75:FE3D)
 &rst
  ixpk= 75, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1122,1123,1124,1126,1127,1128,
 igr2=1531,1532,1533,1535,1536,1537,
 &end
#
#   70   VAL     QQG  96   VAL     QQG    4.50   (#        76:FE3D)
 &rst
  ixpk= 76, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1122,1123,1124,1126,1127,1128,
 igr2=1531,1532,1533,1535,1536,1537,
 &end
#
#   70   VAL     QQG  97   GLN      QG    4.50   (#        77:FE3D)
 &rst
  ixpk= 77, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1122,1123,1124,1126,1127,1128,
 igr2=1548,1549,
 &end
#
#   70   VAL     QQG  92   LEU     QQD    3.50   (#        78:FE3D)
 &rst
  ixpk= 78, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1122,1123,1124,1126,1127,1128,
 igr2=1476,1477,1478,1480,1481,1482,
 &end
#
#   70   VAL     QQG 104   TRP     HH2    5.50   (#        79:FE3D)
 &rst
  ixpk= 79, nxpk= 25, iat=  -1,1673, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1122,1123,1124,1126,1127,1128,
 &end
#
#   70   VAL     QQG  88   VAL     QQG    4.50   (#        80:FE3D)
 &rst
  ixpk= 80, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1122,1123,1124,1126,1127,1128,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#    9   THR     QG2  83   ASP      QB    4.50   (#        81:FE3D)
 &rst
  ixpk= 81, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 154, 155, 156,
 igr2=1325,1326,
 &end
#
#    9   THR     QG2  83   ASP      QB    4.50   (#        82:FE3D)
 &rst
  ixpk= 82, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 154, 155, 156,
 igr2=1325,1326,
 &end
#
#    9   THR     QG2  84   ILE      HB    7.00   (#        83:FE3D)
 &rst
  ixpk= 83, nxpk= 25, iat=  -1,1337, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 154, 155, 156,
 &end
#
#   44   ILE     QG2  93   PRO      QB    4.50   (#        84:FE3D)
 &rst
  ixpk= 84, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 706, 707, 708,
 igr2=1493,1494,
 &end
#
#   44   ILE     QG2  93   PRO      QG    4.50   (#        85:FE3D)
 &rst
  ixpk= 85, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 706, 707, 708,
 igr2=1490,1491,
 &end
#
#   44   ILE     QG2  93   PRO      QB    4.50   (#        86:FE3D)
 &rst
  ixpk= 86, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 706, 707, 708,
 igr2=1493,1494,
 &end
#
#   44   ILE     QG2  88   VAL     QQG    5.50   (#        87:FE3D)
 &rst
  ixpk= 87, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 706, 707, 708,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#   44   ILE     QG2  92   LEU     QQD    4.50   (#        88:FE3D)
 &rst
  ixpk= 88, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 706, 707, 708,
 igr2=1476,1477,1478,1480,1481,1482,
 &end
#
#   44   ILE     QG2  91   GLU      QB    5.50   (#        89:FE3D)
 &rst
  ixpk= 89, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 706, 707, 708,
 igr2=1456,1457,
 &end
#
#   68   HIS     HD2  88   VAL     QQG    5.50   (#        90:FE3D)
 &rst
  ixpk= 90, nxpk= 25, iat=1093,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#   68   HIS     HD2  88   VAL     QQG    5.50   (#        91:FE3D)
 &rst
  ixpk= 91, nxpk= 25, iat=1093,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#    6   LYS      QE  88   VAL     QG2    3.50   (#        93:FE3D)
 &rst
  ixpk= 93, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 106, 107,
 igr2=1405,1406,1407,
 &end
#
#    6   LYS      QG  88   VAL     QQG    5.50   (#        95:FE3D)
 &rst
  ixpk= 95, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 100, 101,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#    6   LYS      QG  88   VAL     QG2    4.50   (#        96:FE3D)
 &rst
  ixpk= 96, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 100, 101,
 igr2=1405,1406,1407,
 &end
#
#   73   LEU      HG 107   THR     QG2    5.50   (#        97:FE3D)
 &rst
  ixpk= 97, nxpk= 25, iat=1182,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1734,1735,1736,
 &end
#
#   73   LEU      HG 100   LEU     QQD    5.50   (#        99:FE3D)
 &rst
  ixpk= 99, nxpk= 25, iat=1182,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1604,1605,1606,1608,1609,1610,
 &end
#
#   73   LEU     QQD  99   GLU      QB    4.50   (#       100:FE3D)
 &rst
  ixpk= 100, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1184,1185,1186,1188,1189,1190,
 igr2=1584,1585,
 &end
#
#   73   LEU     QQD 107   THR     QG2    5.50   (#       104:FE3D)
 &rst
  ixpk= 104, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1184,1185,1186,1188,1189,1190,
 igr2=1734,1735,1736,
 &end
#
#   73   LEU     QQD 100   LEU     QQD    4.50   (#       106:FE3D)
 &rst
  ixpk= 106, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1184,1185,1186,1188,1189,1190,
 igr2=1604,1605,1606,1608,1609,1610,
 &end
#
#   44   ILE     QG2  96   VAL     QQG    3.50   (#       108:FE3D)
 &rst
  ixpk= 108, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 706, 707, 708,
 igr2=1531,1532,1533,1535,1536,1537,
 &end
#
#   68   HIS     HE1  91   GLU      QG    4.50   (#       111:FE3D)
 &rst
  ixpk= 111, nxpk= 25, iat=1089,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1459,1460,
 &end
#
#   68   HIS     HE1  88   VAL     QQG    4.50   (#       112:FE3D)
 &rst
  ixpk= 112, nxpk= 25, iat=1089,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#   68   HIS     HE1  88   VAL     QQG    4.50   (#       113:FE3D)
 &rst
  ixpk= 113, nxpk= 25, iat=1089,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#    8   LEU      HA 104   TRP     HH2    7.00   (#       114:FE3D)
 &rst
  ixpk= 114, nxpk= 25, iat= 131,1673, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    8   LEU      QB 104   TRP     HZ2    4.50   (#       116:FE3D)
 &rst
  ixpk= 116, nxpk= 25, iat=  -1,1671, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 133, 134,
 &end
#
#    8   LEU     QQD 104   TRP     HZ2    3.50   (#       117:FE3D)
 &rst
  ixpk= 117, nxpk= 25, iat=  -1,1671, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#    8   LEU     QQD  89   PHE      QE    4.50   (#       118:FE3D)
 &rst
  ixpk= 118, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 138, 139, 140, 142, 143, 144,
 igr2=1421,1425,
 &end
#
#   73   LEU     QQD 104   TRP     HD1    3.50   (#       120:FE3D)
 &rst
  ixpk= 120, nxpk= 25, iat=  -1,1666, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1184,1185,1186,1188,1189,1190,
 &end
#
#    8   LEU     QQD 104   TRP     HH2    3.50   (#       122:FE3D)
 &rst
  ixpk= 122, nxpk= 25, iat=  -1,1673, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#    8   LEU      QB 104   TRP     HH2    5.50   (#       123:FE3D)
 &rst
  ixpk= 123, nxpk= 25, iat=  -1,1673, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 133, 134,
 &end
#
#    8   LEU     QQD  89   PHE      QD    3.50   (#       124:FE3D)
 &rst
  ixpk= 124, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 138, 139, 140, 142, 143, 144,
 igr2=1419,1427,
 &end
#
#    8   LEU     QQD  89   PHE      QB    5.50   (#       128:FE3D)
 &rst
  ixpk= 128, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 138, 139, 140, 142, 143, 144,
 igr2=1415,1416,
 &end
#
#    9   THR      HA  83   ASP      QB    5.50   (#       129:FE3D)
 &rst
  ixpk= 129, nxpk= 25, iat= 150,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1325,1326,
 &end
#
#    9   THR      HB  83   ASP      QB    4.50   (#       130:FE3D)
 &rst
  ixpk= 130, nxpk= 25, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1325,1326,
 &end
#
#    9   THR      HB  83   ASP      QB    4.50   (#       131:FE3D)
 &rst
  ixpk= 131, nxpk= 25, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1325,1326,
 &end
#
#   73   LEU     QQD 103   GLU      QG    4.50   (#       132:FE3D)
 &rst
  ixpk= 132, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1184,1185,1186,1188,1189,1190,
 igr2=1650,1651,
 &end
#
#   72   ARG      HA 103   GLU      QG    4.50   (#       133:FE3D)
 &rst
  ixpk= 133, nxpk= 25, iat=1153,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1650,1651,
 &end
#
#   73   LEU      QB 103   GLU      QG    5.50   (#       134:FE3D)
 &rst
  ixpk= 134, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1179,1180,
 igr2=1650,1651,
 &end
#
#    8   LEU     QQD  88   VAL      HB    3.50   (#       135:FE3D)
 &rst
  ixpk= 135, nxpk= 25, iat=  -1,1399, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#    6   LYS      QE  88   VAL      HB    5.50   (#       136:FE3D)
 &rst
  ixpk= 136, nxpk= 25, iat=  -1,1399, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 106, 107,
 &end
#
#    8   LEU      QB  88   VAL      HB    5.50   (#       137:FE3D)
 &rst
  ixpk= 137, nxpk= 25, iat=  -1,1399, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 133, 134,
 &end
#
#   73   LEU     QQD 103   GLU      QB    4.50   (#       139:FE3D)
 &rst
  ixpk= 139, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1184,1185,1186,1188,1189,1190,
 igr2=1647,1648,
 &end
#
#    9   THR      HA  84   ILE      HB    5.50   (#       141:FE3D)
 &rst
  ixpk= 141, nxpk= 25, iat= 150,1337, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    8   LEU      QB  84   ILE      HB    5.50   (#       142:FE3D)
 &rst
  ixpk= 142, nxpk= 25, iat=  -1,1337, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 133, 134,
 &end
#
#   73   LEU     QQD 107   THR     QG2    5.50   (#       145:FE3D)
 &rst
  ixpk= 145, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1184,1185,1186,1188,1189,1190,
 igr2=1734,1735,1736,
 &end
#
#    8   LEU      QB  88   VAL     QQG    5.50   (#       146:FE3D)
 &rst
  ixpk= 146, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 133, 134,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#    6   LYS      QG  88   VAL     QQG    5.50   (#       147:FE3D)
 &rst
  ixpk= 147, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 100, 101,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#    8   LEU     QQD  88   VAL     QQG    4.50   (#       148:FE3D)
 &rst
  ixpk= 148, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 138, 139, 140, 142, 143, 144,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#    9   THR      HA  88   VAL     QQG    5.50   (#       149:FE3D)
 &rst
  ixpk= 149, nxpk= 25, iat= 150,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#    8   LEU      QB  88   VAL     QQG    5.50   (#       150:FE3D)
 &rst
  ixpk= 150, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 133, 134,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#    6   LYS      QG  88   VAL     QQG    5.50   (#       151:FE3D)
 &rst
  ixpk= 151, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 100, 101,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#    8   LEU     QQD  88   VAL     QQG    3.50   (#       152:FE3D)
 &rst
  ixpk= 152, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 138, 139, 140, 142, 143, 144,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#    8   LEU     QQD  84   ILE     QG1    4.50   (#       153:FE3D)
 &rst
  ixpk= 153, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 138, 139, 140, 142, 143, 144,
 igr2=1343,1344,
 &end
#
#   70   VAL      HB  96   VAL     QQG    5.50   (#       154:FE3D)
 &rst
  ixpk= 154, nxpk= 25, iat=1120,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1531,1532,1533,1535,1536,1537,
 &end
#
#    8   LEU      QB  84   ILE     QG1    5.50   (#       155:FE3D)
 &rst
  ixpk= 155, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 133, 134,
 igr2=1343,1344,
 &end
#
#   70   VAL      HA 100   LEU     QQD    5.50   (#       156:FE3D)
 &rst
  ixpk= 156, nxpk= 25, iat=1118,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1604,1605,1606,1608,1609,1610,
 &end
#
#    8   LEU      QB  84   ILE     QG1    5.50   (#       157:FE3D)
 &rst
  ixpk= 157, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 133, 134,
 igr2=1343,1344,
 &end
#
#    8   LEU      QB 100   LEU     QQD    5.50   (#       158:FE3D)
 &rst
  ixpk= 158, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 133, 134,
 igr2=1604,1605,1606,1608,1609,1610,
 &end
#
#   70   VAL      HA 100   LEU     QQD    5.50   (#       159:FE3D)
 &rst
  ixpk= 159, nxpk= 25, iat=1118,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1604,1605,1606,1608,1609,1610,
 &end
#
#   70   VAL      HB  92   LEU     QQD    5.50   (#       160:FE3D)
 &rst
  ixpk= 160, nxpk= 25, iat=1120,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1476,1477,1478,1480,1481,1482,
 &end
#
#    9   THR      HA  88   VAL     QQG    5.50   (#       161:FE3D)
 &rst
  ixpk= 161, nxpk= 25, iat= 150,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#   70   VAL      HA 104   TRP     HZ2    5.50   (#       162:FE3D)
 &rst
  ixpk= 162, nxpk= 25, iat=1118,1671, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   70   VAL      HA  84   ILE     QG1    5.50   (#       163:FE3D)
 &rst
  ixpk= 163, nxpk= 25, iat=1118,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1343,1344,
 &end
#
#   73   LEU      QB 104   TRP     HD1    5.50   (#       166:FE3D)
 &rst
  ixpk= 166, nxpk= 25, iat=  -1,1666, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1179,1180,
 &end
#
#   70   VAL      HB  84   ILE     QG1    7.00   (#       168:FE3D)
 &rst
  ixpk= 168, nxpk= 25, iat=1120,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1343,1344,
 &end
#
#   70   VAL      HB  96   VAL     QQG    5.50   (#       169:FE3D)
 &rst
  ixpk= 169, nxpk= 25, iat=1120,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1531,1532,1533,1535,1536,1537,
 &end
#
#    8   LEU     QQD  92   LEU     QQD    3.50   (#       170:FE3D)
 &rst
  ixpk= 170, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 138, 139, 140, 142, 143, 144,
 igr2=1476,1477,1478,1480,1481,1482,
 &end
#
#   73   LEU     QQD 103   GLU      QG    5.50   (#       171:FE3D)
 &rst
  ixpk= 171, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1184,1185,1186,1188,1189,1190,
 igr2=1650,1651,
 &end
#
#   73   LEU     QQD 104   TRP     HH2    7.00   (#       172:FE3D)
 &rst
  ixpk= 172, nxpk= 25, iat=  -1,1673, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1184,1185,1186,1188,1189,1190,
 &end
#
#   73   LEU     QQD 100   LEU     QQD    4.50   (#       174:FE3D)
 &rst
  ixpk= 174, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1184,1185,1186,1188,1189,1190,
 igr2=1604,1605,1606,1608,1609,1610,
 &end
#
#   88   VAL     QQG  68   HIS     HE1    4.50   (#              0)
 &rst
  ixpk= 0, nxpk= 25, iat=  -1,1089, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1401,1402,1403,1405,1406,1407,
 &end
#
#   88   VAL     QQG  68   HIS     HD2    3.50   (#              1)
 &rst
  ixpk= 1, nxpk= 25, iat=  -1,1093, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1401,1402,1403,1405,1406,1407,
 &end
#
#   88   VAL     QQG  10   GLY      QA    5.50   (#              2)
 &rst
  ixpk= 2, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1401,1402,1403,1405,1406,1407,
 igr2= 164, 165,
 &end
#
#   88   VAL     QQG   6   LYS      QE    3.50   (#              3)
 &rst
  ixpk= 3, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1401,1402,1403,1405,1406,1407,
 igr2= 106, 107,
 &end
#
#   88   VAL     QQG   6   LYS      QD    4.50   (#              4)
 &rst
  ixpk= 4, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1401,1402,1403,1405,1406,1407,
 igr2= 103, 104,
 &end
#
#   88   VAL     QQG   6   LYS      QG    5.50   (#              5)
 &rst
  ixpk= 5, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1401,1402,1403,1405,1406,1407,
 igr2= 100, 101,
 &end
#
#   96   VAL     QQG  44   ILE     QG2    3.50   (#              6)
 &rst
  ixpk= 6, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1531,1532,1533,1535,1536,1537,
 igr2= 706, 707, 708,
 &end
#
#   96   VAL     QQG  70   VAL     QQG    3.50   (#              7)
 &rst
  ixpk= 7, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1531,1532,1533,1535,1536,1537,
 igr2=1122,1123,1124,1126,1127,1128,
 &end
#
#  100   LEU     QQD  70   VAL     QQG    3.50   (#              8)
 &rst
  ixpk= 8, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1604,1605,1606,1608,1609,1610,
 igr2=1122,1123,1124,1126,1127,1128,
 &end
#
#   84   ILE     QG1   8   LEU     QQD    5.50   (#              9)
 &rst
  ixpk= 9, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1343,1344,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#  100   LEU      HG  71   LEU     QQD    4.50   (#             10)
 &rst
  ixpk= 10, nxpk= 25, iat=1602,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1141,1142,1143,1145,1146,1147,
 &end
#
#  100   LEU      HG  70   VAL     QQG    3.50   (#             11)
 &rst
  ixpk= 11, nxpk= 25, iat=1602,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1122,1123,1124,1126,1127,1128,
 &end
#
#  100   LEU      HG  70   VAL     QQG    3.50   (#             12)
 &rst
  ixpk= 12, nxpk= 25, iat=1602,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1122,1123,1124,1126,1127,1128,
 &end
#
#  100   LEU      HG  71   LEU     QQD    5.50   (#             13)
 &rst
  ixpk= 13, nxpk= 25, iat=1602,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1141,1142,1143,1145,1146,1147,
 &end
#
#  100   LEU      HG  72   ARG      QD    7.00   (#             15)
 &rst
  ixpk= 15, nxpk= 25, iat=1602,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1161,1162,
 &end
#
#   93   PRO      QG  44   ILE     QG2    3.50   (#             18)
 &rst
  ixpk= 18, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1490,1491,
 igr2= 706, 707, 708,
 &end
#
#   93   PRO      QG  70   VAL     QQG    5.50   (#             19)
 &rst
  ixpk= 19, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1490,1491,
 igr2=1122,1123,1124,1126,1127,1128,
 &end
#
#   93   PRO      QG  49   GLN      QG    5.50   (#             20)
 &rst
  ixpk= 20, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1490,1491,
 igr2= 785, 786,
 &end
#
#   91   GLU      QG  68   HIS     HE1    4.50   (#             21)
 &rst
  ixpk= 21, nxpk= 25, iat=  -1,1089, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1459,1460,
 &end
#
#   99   GLU      QB  70   VAL     QQG    4.50   (#             22)
 &rst
  ixpk= 22, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1584,1585,
 igr2=1122,1123,1124,1126,1127,1128,
 &end
#
#  103   GLU      QB  73   LEU     QQD    4.50   (#             23)
 &rst
  ixpk= 23, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1647,1648,
 igr2=1184,1185,1186,1188,1189,1190,
 &end
#
#  103   GLU      QB  71   LEU     QQD    4.50   (#             24)
 &rst
  ixpk= 24, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1647,1648,
 igr2=1141,1142,1143,1145,1146,1147,
 &end
#
#   91   GLU      QG  68   HIS     HE1    3.50   (#             27)
 &rst
  ixpk= 27, nxpk= 25, iat=  -1,1089, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1459,1460,
 &end
#
#   83   ASP      QB   8   LEU     QQD    5.50   (#             29)
 &rst
  ixpk= 29, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1325,1326,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#   93   PRO      QD  44   ILE     QD1    4.50   (#             30)
 &rst
  ixpk= 30, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1487,1488,
 igr2= 713, 714, 715,
 &end
#
#   93   PRO      QD  44   ILE     QG2    4.50   (#             31)
 &rst
  ixpk= 31, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1487,1488,
 igr2= 706, 707, 708,
 &end
#
#   92   LEU      HA  44   ILE     QD1    4.50   (#             32)
 &rst
  ixpk= 32, nxpk= 25, iat=1469,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 713, 714, 715,
 &end
#
#   83   ASP      HA   8   LEU     QQD    7.00   (#             33)
 &rst
  ixpk= 33, nxpk= 25, iat=1323,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#   84   ILE      HA  70   VAL      HB    7.00   (#             34)
 &rst
  ixpk= 34, nxpk= 25, iat=1335,1120, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   84   ILE      HA   8   LEU     QQD    3.50   (#             35)
 &rst
  ixpk= 35, nxpk= 25, iat=1335,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#   84   ILE      HA  70   VAL     QQG    7.00   (#             36)
 &rst
  ixpk= 36, nxpk= 25, iat=1335,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2=1122,1123,1124,1126,1127,1128,
 &end
#
#   84   ILE     QD1  70   VAL      HB    4.50   (#             37)
 &rst
  ixpk= 37, nxpk= 25, iat=  -1,1120, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1346,1347,1348,
 &end
#
#   84   ILE     QD1  71   LEU      QB    4.50   (#             38)
 &rst
  ixpk= 38, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1346,1347,1348,
 igr2=1136,1137,
 &end
#
#   84   ILE     QD1   8   LEU     QQD    3.50   (#             39)
 &rst
  ixpk= 39, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1346,1347,1348,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#   84   ILE     QD1  69   LEU      QB    5.50   (#             40)
 &rst
  ixpk= 40, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1346,1347,1348,
 igr2=1101,1102,
 &end
#
#   84   ILE     QD1  70   VAL     QQG    4.50   (#             41)
 &rst
  ixpk= 41, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1346,1347,1348,
 igr2=1122,1123,1124,1126,1127,1128,
 &end
#
#   84   ILE     QG2   8   LEU      QB    5.50   (#             42)
 &rst
  ixpk= 42, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1339,1340,1341,
 igr2= 133, 134,
 &end
#
#   84   ILE     QG2   8   LEU      QB    5.50   (#             43)
 &rst
  ixpk= 43, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1339,1340,1341,
 igr2= 133, 134,
 &end
#
#   84   ILE     QG2  71   LEU      QB    4.50   (#             44)
 &rst
  ixpk= 44, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1339,1340,1341,
 igr2=1136,1137,
 &end
#
#   84   ILE     QG2  69   LEU      QB    7.00   (#             45)
 &rst
  ixpk= 45, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1339,1340,1341,
 igr2=1101,1102,
 &end
#
#   84   ILE     QG2  70   VAL     QQG    4.50   (#             46)
 &rst
  ixpk= 46, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1339,1340,1341,
 igr2=1122,1123,1124,1126,1127,1128,
 &end
#
#   84   ILE     QG2   8   LEU     QQD    5.50   (#             47)
 &rst
  ixpk= 47, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1339,1340,1341,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#   92   LEU     QQD  68   HIS     HE1    5.50   (#             48)
 &rst
  ixpk= 48, nxpk= 25, iat=  -1,1089, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1476,1477,1478,1480,1481,1482,
 &end
#
#   92   LEU     QQD  68   HIS     HD2    5.50   (#             49)
 &rst
  ixpk= 49, nxpk= 25, iat=  -1,1093, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1476,1477,1478,1480,1481,1482,
 &end
#
#   92   LEU     QQD  45   PHE      QB    7.00   (#             50)
 &rst
  ixpk= 50, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1=1476,1477,1478,1480,1481,1482,
 igr2= 723, 724,
 &end
#
#   92   LEU     QQD  44   ILE      HB    5.50   (#             51)
 &rst
  ixpk= 51, nxpk= 25, iat=  -1, 704, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1476,1477,1478,1480,1481,1482,
 &end
#
#   92   LEU     QQD  70   VAL     QQG    5.50   (#             52)
 &rst
  ixpk= 52, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1=1476,1477,1478,1480,1481,1482,
 igr2=1122,1123,1124,1126,1127,1128,
 &end
#
#   92   LEU     QQD  44   ILE     QG1    5.50   (#             53)
 &rst
  ixpk= 53, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1476,1477,1478,1480,1481,1482,
 igr2= 710, 711,
 &end
#
#   92   LEU     QQD  70   VAL     QQG    4.50   (#             54)
 &rst
  ixpk= 54, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1476,1477,1478,1480,1481,1482,
 igr2=1122,1123,1124,1126,1127,1128,
 &end
#
#   92   LEU     QQD  44   ILE     QD1    3.50   (#             55)
 &rst
  ixpk= 55, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1476,1477,1478,1480,1481,1482,
 igr2= 713, 714, 715,
 &end
#
#   88   VAL     QQG  10   GLY      QA    5.50   (#             56)
 &rst
  ixpk= 56, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1401,1402,1403,1405,1406,1407,
 igr2= 164, 165,
 &end
#
#   88   VAL     QQG  44   ILE      HB    7.00   (#             57)
 &rst
  ixpk= 57, nxpk= 25, iat=  -1, 704, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1401,1402,1403,1405,1406,1407,
 &end
#
#   88   VAL     QQG   6   LYS      QG    5.50   (#             58)
 &rst
  ixpk= 58, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1401,1402,1403,1405,1406,1407,
 igr2= 100, 101,
 &end
#
#   96   VAL     QQG  70   VAL     QQG    4.50   (#             59)
 &rst
  ixpk= 59, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1531,1532,1533,1535,1536,1537,
 igr2=1122,1123,1124,1126,1127,1128,
 &end
#
#   83   ASP      QB   8   LEU     QQD    5.50   (#             62)
 &rst
  ixpk= 62, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1325,1326,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#  100   LEU     QQD  69   LEU     QD1    5.50   (#             63)
 &rst
  ixpk= 63, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1604,1605,1606,1608,1609,1610,
 igr2=1106,1107,1108,
 &end
#
#  100   LEU     QQD  69   LEU      QB    7.00   (#             64)
 &rst
  ixpk= 64, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1=1604,1605,1606,1608,1609,1610,
 igr2=1101,1102,
 &end
#
#  100   LEU     QQD  44   ILE     QG1    5.50   (#             65)
 &rst
  ixpk= 65, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1604,1605,1606,1608,1609,1610,
 igr2= 710, 711,
 &end
#
#   96   VAL      HB  44   ILE     QD1    4.50   (#             67)
 &rst
  ixpk= 67, nxpk= 25, iat=1529,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 713, 714, 715,
 &end
#
#   96   VAL      HB  70   VAL     QQG    5.50   (#             68)
 &rst
  ixpk= 68, nxpk= 25, iat=1529,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1122,1123,1124,1126,1127,1128,
 &end
#
#   91   GLU      HA  68   HIS     HE1    5.50   (#             69)
 &rst
  ixpk= 69, nxpk= 25, iat=1454,1089, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   96   VAL      HA  44   ILE     QD1    5.50   (#             70)
 &rst
  ixpk= 70, nxpk= 25, iat=1527,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 713, 714, 715,
 &end
#
#   91   GLU      QB  68   HIS     HE1    3.50   (#             71)
 &rst
  ixpk= 71, nxpk= 25, iat=  -1,1089, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1456,1457,
 &end
#
#   88   VAL      HA  68   HIS     HE1    5.50   (#             72)
 &rst
  ixpk= 72, nxpk= 25, iat=1397,1089, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   91   GLU      QG  68   HIS     HE1    5.50   (#             73)
 &rst
  ixpk= 73, nxpk= 25, iat=  -1,1089, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1459,1460,
 &end
#
#    6 LYS  HN           67 LEU  HN          4.50    (#      0:15  Preassigned    3.20, 3.31 A)
 &rst
  ixpk= 0, nxpk= 15, iat=  93,1061, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
#   66 THR  HN           67 LEU  HN          4.50    (#      1:15  Preassigned    3.90, 4.12 A)
 &rst
  ixpk= 1, nxpk= 15, iat=1047,1061, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    4 PHE  HN           67 LEU  HN          4.50    (#      2:15  Preassigned    3.44, 3.63 A)
 &rst
  ixpk= 2, nxpk= 15, iat=  57,1061, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:3        6 LYS  HN          4.50    (#      3:15  Single Ambig)
 &rst
  ixpk= 3, nxpk= 15, iat=  -1,  93, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1061,  77,
 &end
#
#    7 THR  HN            6 LYS  HN          4.50    (#      4:15  Preassigned    4.49, 4.52 A)
 &rst
  ixpk= 4, nxpk= 15, iat= 115,  93, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   66 THR  HA           67 LEU  HN          2.80    (#      5:15  Preassigned    2.15, 2.19 A)
 &rst
  ixpk= 5, nxpk= 15, iat=1049,1061, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   68 HIS  HA            6 LYS  HN          3.50    (#      6:15  Preassigned    3.17, 3.35 A)
 &rst
  ixpk= 6, nxpk= 15, iat=1082,  93, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:7        6 LYS  HN          4.50    (#      7:15  Single Ambig)
 &rst
  ixpk= 7, nxpk= 15, iat=  -1,  93, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 193,1063,
 &end
#
#    5 VAL  HA            6 LYS  HN          2.80    (#      8:15  Preassigned    2.23, 2.24 A)
 &rst
  ixpk= 8, nxpk= 15, iat=  79,  93, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    5 VAL  HA           67 LEU  HN          4.50    (#      9:15  Preassigned    2.34, 2.46 A)
 &rst
  ixpk= 9, nxpk= 15, iat=  79,1061, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   67 LEU  HA           67 LEU  HN          4.50    (#     10:15  Preassigned    2.90, 2.92 A)
 &rst
  ixpk= 10, nxpk= 15, iat=1063,1061, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    4 PHE  HB-          67 LEU  HN          4.50    (#     11:15  Preassigned    3.63, 4.38 A)
 &rst
  ixpk= 11, nxpk= 15, iat=  -1,1061, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  61,  62,
 &end
#
#    4 PHE  HB+          67 LEU  HN          4.50    (#     12:15  Preassigned    3.63, 4.38 A)
 &rst
  ixpk= 12, nxpk= 15, iat=  -1,1061, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  61,  62,
 &end
#
#    0 AMB  15-3:13       6 LYS  HN          4.50    (#     13:15  Single Ambig)
 &rst
  ixpk= 13, nxpk= 15, iat=  -1,  93, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 106, 107, 106, 107,  61,  62,
 &end
#
#    3 ILE  HB           67 LEU  HN          4.50    (#     14:15  Preassigned    3.85, 3.93 A)
 &rst
  ixpk= 14, nxpk= 15, iat=  42,1061, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   67 LEU  HB-          67 LEU  HN          3.50    (#     15:15  Preassigned    2.20, 2.66 A)
 &rst
  ixpk= 15, nxpk= 15, iat=  -1,1061, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1065,1066,
 &end
#
#   66 THR  QG2          67 LEU  HN          3.50    (#     16:15  Preassigned    3.43, 4.14 A)
 &rst
  ixpk= 16, nxpk= 15, iat=  -1,1061, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1053,1054,1055,
 &end
#
#    0 AMB  15-3:17      67 LEU  HN          3.50    (#     17:15  Single Ambig)
 &rst
  ixpk= 17, nxpk= 15, iat=  -1,1061, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  83,  84,  85,  87,  88,  89,  83,  84,  85,  87,
        88,  89,1070,1071,1072,1074,1075,1076,
 &end
#
#    0 AMB  15-3:18      67 LEU  HN          5.50    (#     18:15  Single Ambig)
 &rst
  ixpk= 18, nxpk= 15, iat=  -1,1061, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 969, 970, 971, 976, 977, 978,
 &end
#
#    7 THR  QG2           6 LYS  HN          5.50    (#     19:15  Preassigned    5.50, 6.58 A)
 &rst
  ixpk= 19, nxpk= 15, iat=  -1,  93, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 121, 122, 123,
 &end
#
#    0 AMB  15-3:20       6 LYS  HN          3.50    (#     20:15  Single Ambig)
 &rst
  ixpk= 20, nxpk= 15, iat=  -1,  93, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=  83,  84,  85,  87,  88,  89,  83,  84,  85,  87,
        88,  89,
 &end
#
#   66 THR  QG2           6 LYS  HN          4.50    (#     21:15  Preassigned    3.15, 3.97 A)
 &rst
  ixpk= 21, nxpk= 15, iat=  -1,  93, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1053,1054,1055,
 &end
#
#    6 LYS  HB+           6 LYS  HN          3.50    (#     22:15  Preassigned    2.23, 2.58 A)
 &rst
  ixpk= 22, nxpk= 15, iat=  -1,  93, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  97,  98,
 &end
#
#    6 LYS  HB-           6 LYS  HN          3.50    (#     23:15  Preassigned    2.23, 2.58 A)
 &rst
  ixpk= 23, nxpk= 15, iat=  -1,  93, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  97,  98,
 &end
#
#    0 AMB  15-3:24      70 VAL  HN          4.50    (#     24:15  Single Ambig)
 &rst
  ixpk= 24, nxpk= 15, iat=  -1,1116, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1097,1132,
 &end
#
#   42 ARG  HN           70 VAL  HN          4.50    (#     25:15  Preassigned    3.82, 3.91 A)
 &rst
  ixpk= 25, nxpk= 15, iat= 657,1116, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   43 LEU  HA           70 VAL  HN          4.50    (#     26:15  Preassigned    2.95, 3.12 A)
 &rst
  ixpk= 26, nxpk= 15, iat= 683,1116, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   70 VAL  HA           70 VAL  HN          3.50    (#     27:15  Preassigned    2.92, 2.94 A)
 &rst
  ixpk= 27, nxpk= 15, iat=1118,1116, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   70 VAL  HB           70 VAL  HN          4.50    (#     28:15  Unique         2.59, 2.95 A)
 &rst
  ixpk= 28, nxpk= 15, iat=1120,1116, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:29      70 VAL  HN          5.50    (#     29:15  Single Ambig)
 &rst
  ixpk= 29, nxpk= 15, iat=  -1,1116, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 704,1068,
 &end
#
#   69 LEU  HG           70 VAL  HN          5.50    (#     30:15  Preassigned    4.55, 4.62 A)
 &rst
  ixpk= 30, nxpk= 15, iat=1104,1116, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   70 VAL  QG-          70 VAL  HN          3.50    (#     31:15  Unique         2.28, 4.13 A)
 &rst
  ixpk= 31, nxpk= 15, iat=  -1,1116, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1122,1123,1124,1126,1127,1128,
 &end
#
#   69 LEU  QD-          70 VAL  HN          3.50    (#     32:15  Preassigned    2.29, 3.60 A)
 &rst
  ixpk= 32, nxpk= 15, iat=  -1,1116, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1106,1107,1108,1110,1111,1112,
 &end
#
#    0 AMB  15-3:33      70 VAL  HN          2.80    (#     33:15  Single Ambig)
 &rst
  ixpk= 33, nxpk= 15, iat=  -1,1116, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1122,1123,1124,1126,1127,1128,1106,1107,1108,1110,
      1111,1112,
 &end
#
#    0 AMB  15-3:34      50 LEU  HN          4.50    (#     34:15  Single Ambig)
 &rst
  ixpk= 34, nxpk= 15, iat=  -1, 795, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 681, 719,
 &end
#
#   51 GLU  HN           50 LEU  HN          5.50    (#     35:15  Preassigned    4.50, 4.54 A)
 &rst
  ixpk= 35, nxpk= 15, iat= 814, 795, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   44 ILE  HA           50 LEU  HN          4.50    (#     36:15  Preassigned    2.80, 2.91 A)
 &rst
  ixpk= 36, nxpk= 15, iat= 702, 795, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   49 GLN  HA           50 LEU  HN          2.80    (#     37:15  Preassigned    2.14, 2.20 A)
 &rst
  ixpk= 37, nxpk= 15, iat= 780, 795, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   50 LEU  HA           50 LEU  HN          4.50    (#     38:15  Preassigned    2.86, 2.91 A)
 &rst
  ixpk= 38, nxpk= 15, iat= 797, 795, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:39      50 LEU  HN          3.50    (#     39:15  Single Ambig)
 &rst
  ixpk= 39, nxpk= 15, iat=  -1, 795, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 785, 786, 785, 786,
 &end
#
#   49 GLN  HB-          50 LEU  HN          3.50    (#     40:15  Unique         2.79, 3.96 A)
 &rst
  ixpk= 40, nxpk= 15, iat=  -1, 795, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 782, 783,
 &end
#
#    0 AMB  15-3:41      50 LEU  HN          2.80    (#     41:15  Single Ambig)
 &rst
  ixpk= 41, nxpk= 15, iat=  -1, 795, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 802, 799, 800,
 &end
#
#   50 LEU  HB-          50 LEU  HN          3.50    (#     42:15  Preassigned    2.54, 3.22 A)
 &rst
  ixpk= 42, nxpk= 15, iat=  -1, 795, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 799, 800,
 &end
#
#   44 ILE  QD1          50 LEU  HN          5.50    (#     43:15  Preassigned    6.05, 6.55 A)
 &rst
  ixpk= 43, nxpk= 15, iat=  -1, 795, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 713, 714, 715,
 &end
#
#   50 LEU  QD+          50 LEU  HN          3.50    (#     44:15  Preassigned    2.18, 4.01 A)
 &rst
  ixpk= 44, nxpk= 15, iat=  -1, 795, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 804, 805, 806, 808, 809, 810,
 &end
#
#    0 AMB  15-3:46      71 LEU  HN          4.50    (#     46:15  Single Ambig)
 &rst
  ixpk= 46, nxpk= 15, iat=  -1,1132, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1116, 129,
 &end
#
#   70 VAL  HA           71 LEU  HN          2.80    (#     49:15  Preassigned    2.38, 2.43 A)
 &rst
  ixpk= 49, nxpk= 15, iat=1118,1132, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    8 LEU  HG           71 LEU  HN          5.50    (#     50:15  Preassigned    4.72, 5.30 A)
 &rst
  ixpk= 50, nxpk= 15, iat= 136,1132, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   70 VAL  HB           71 LEU  HN          4.50    (#     51:15  Unique         2.12, 3.32 A)
 &rst
  ixpk= 51, nxpk= 15, iat=1120,1132, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   71 LEU  HB-          71 LEU  HN          3.50    (#     53:15  Preassigned    2.15, 2.75 A)
 &rst
  ixpk= 53, nxpk= 15, iat=  -1,1132, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1136,1137,
 &end
#
#    8 LEU  QD-          71 LEU  HN          4.50    (#     54:15  Preassigned    3.98, 6.37 A)
 &rst
  ixpk= 54, nxpk= 15, iat=  -1,1132, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#    8 LEU  QD+          71 LEU  HN          4.50    (#     55:15  Preassigned    3.98, 6.37 A)
 &rst
  ixpk= 55, nxpk= 15, iat=  -1,1132, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#   70 VAL  QG-          71 LEU  HN          3.50    (#     56:15  Preassigned    1.79, 3.61 A)
 &rst
  ixpk= 56, nxpk= 15, iat=  -1,1132, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1122,1123,1124,1126,1127,1128,
 &end
#
#   69 LEU  QD-          71 LEU  HN          4.50    (#     57:15  Preassigned    4.31, 5.50 A)
 &rst
  ixpk= 57, nxpk= 15, iat=  -1,1132, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1106,1107,1108,1110,1111,1112,
 &end
#
#   70 VAL  QG+          71 LEU  HN          3.50    (#     58:15  Unique         1.79, 3.61 A)
 &rst
  ixpk= 58, nxpk= 15, iat=  -1,1132, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1122,1123,1124,1126,1127,1128,
 &end
#
#    5 VAL  HN           15 LEU  HN          4.50    (#     59:15  Preassigned    3.85, 3.90 A)
 &rst
  ixpk= 59, nxpk= 15, iat=  77, 238, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   14 THR  HN           15 LEU  HN          4.50    (#     60:15  Preassigned    4.49, 4.52 A)
 &rst
  ixpk= 60, nxpk= 15, iat= 224, 238, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    3 ILE  HN           15 LEU  HN          3.50    (#     61:15  Preassigned    2.53, 2.60 A)
 &rst
  ixpk= 61, nxpk= 15, iat=  38, 238, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   16 GLU  HN           15 LEU  HN          4.50    (#     62:15  Preassigned    4.35, 4.37 A)
 &rst
  ixpk= 62, nxpk= 15, iat= 257, 238, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    4 PHE  HD2          15 LEU  HN          4.50    (#     63:15  Unique         4.55, 4.61 A)
 &rst
  ixpk= 63, nxpk= 15, iat=  73, 238, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    4 PHE  HA           15 LEU  HN          4.50    (#     64:15  Preassigned    3.70, 3.74 A)
 &rst
  ixpk= 64, nxpk= 15, iat=  59, 238, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    2 GLN  HA           15 LEU  HN          4.50    (#     65:15  Preassigned    4.43, 4.54 A)
 &rst
  ixpk= 65, nxpk= 15, iat=  23, 238, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   14 THR  HA           15 LEU  HN          2.80    (#     66:15  Preassigned    2.15, 2.16 A)
 &rst
  ixpk= 66, nxpk= 15, iat= 226, 238, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   15 LEU  HA           15 LEU  HN          3.50    (#     67:15  Preassigned    2.94, 2.94 A)
 &rst
  ixpk= 67, nxpk= 15, iat= 240, 238, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   14 THR  HB           15 LEU  HN          4.50    (#     68:15  Preassigned    4.02, 4.07 A)
 &rst
  ixpk= 68, nxpk= 15, iat= 228, 238, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:69      15 LEU  HN          4.50    (#     69:15  Single Ambig)
 &rst
  ixpk= 69, nxpk= 15, iat=  -1, 238, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  25,  26,  28,  29,
 &end
#
#   15 LEU  HB-          15 LEU  HN          3.50    (#     70:15  Preassigned    2.83, 3.36 A)
 &rst
  ixpk= 70, nxpk= 15, iat=  -1, 238, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 242, 243,
 &end
#
#   14 THR  QG2          15 LEU  HN          2.80    (#     71:15  Preassigned    2.91, 3.48 A)
 &rst
  ixpk= 71, nxpk= 15, iat=  -1, 238, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 230, 231, 232,
 &end
#
#    0 AMB  15-3:72      15 LEU  HN          3.50    (#     72:15  Single Ambig)
 &rst
  ixpk= 72, nxpk= 15, iat=  -1, 238, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 247, 248, 249, 251, 252, 253, 247, 248, 249, 251,
       252, 253,  83,  84,  85,  87,  88,  89,  83,  84,
        85,  87,  88,  89,
 &end
#
#   50 LEU  QD-          45 PHE  HN          4.50    (#     73:15  Preassigned    2.42, 4.47 A)
 &rst
  ixpk= 73, nxpk= 15, iat=  -1, 719, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 804, 805, 806, 808, 809, 810,
 &end
#
#   44 ILE  HN           45 PHE  HN          4.50    (#     74:15  Preassigned    4.35, 4.41 A)
 &rst
  ixpk= 74, nxpk= 15, iat= 700, 719, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   68 HIS  HN           45 PHE  HN          5.50    (#     75:15  Preassigned    4.86, 4.93 A)
 &rst
  ixpk= 75, nxpk= 15, iat=1080, 719, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:76      45 PHE  HN          4.50    (#     76:15  Single Ambig)
 &rst
  ixpk= 76, nxpk= 15, iat=  -1, 719, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 795, 749,
 &end
#
#   48 LYS  HN           45 PHE  HN          3.50    (#     77:15  Preassigned    2.76, 2.87 A)
 &rst
  ixpk= 77, nxpk= 15, iat= 756, 719, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:78      45 PHE  HN          4.50    (#     78:15  Single Ambig)
 &rst
  ixpk= 78, nxpk= 15, iat=  -1, 719, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 727, 735,
 &end
#
#   45 PHE  HA           45 PHE  HN          4.50    (#     79:15  Preassigned    2.93, 2.93 A)
 &rst
  ixpk= 79, nxpk= 15, iat= 721, 719, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   44 ILE  HA           45 PHE  HN          2.80    (#     80:15  Preassigned    2.18, 2.20 A)
 &rst
  ixpk= 80, nxpk= 15, iat= 702, 719, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   49 GLN  HA           45 PHE  HN          4.50    (#     81:15  Preassigned    3.18, 3.29 A)
 &rst
  ixpk= 81, nxpk= 15, iat= 780, 719, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   45 PHE  HB+          45 PHE  HN          4.50    (#     82:15  Preassigned    2.75, 2.99 A)
 &rst
  ixpk= 82, nxpk= 15, iat=  -1, 719, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 723, 724,
 &end
#
#   45 PHE  HB-          45 PHE  HN          4.50    (#     83:15  Preassigned    2.75, 2.99 A)
 &rst
  ixpk= 83, nxpk= 15, iat=  -1, 719, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 723, 724,
 &end
#
#    0 AMB  15-3:84      45 PHE  HN          4.50    (#     84:15  Single Ambig)
 &rst
  ixpk= 84, nxpk= 15, iat=  -1, 719, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 760, 761, 760, 761,
 &end
#
#   44 ILE  HB           45 PHE  HN          4.50    (#     85:15  Preassigned    3.98, 4.14 A)
 &rst
  ixpk= 85, nxpk= 15, iat= 704, 719, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:86      45 PHE  HN          4.50    (#     86:15  Single Ambig)
 &rst
  ixpk= 86, nxpk= 15, iat=  -1, 719, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 763, 764, 763, 764,
 &end
#
#   44 ILE  HG1-         45 PHE  HN          4.50    (#     87:15  Preassigned    3.62, 4.42 A)
 &rst
  ixpk= 87, nxpk= 15, iat=  -1, 719, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 710, 711,
 &end
#
#   44 ILE  QG2          45 PHE  HN          2.80    (#     88:15  Unique         2.27, 3.17 A)
 &rst
  ixpk= 88, nxpk= 15, iat=  -1, 719, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 706, 707, 708,
 &end
#
#   50 LEU  QD+          45 PHE  HN          4.50    (#     89:15  Preassigned    2.42, 4.47 A)
 &rst
  ixpk= 89, nxpk= 15, iat=  -1, 719, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 804, 805, 806, 808, 809, 810,
 &end
#
#   61 ILE  HG1-         62 GLN  HN          4.50    (#     90:15  Preassigned    4.77, 4.87 A)
 &rst
  ixpk= 90, nxpk= 15, iat=  -1, 982, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 973, 974,
 &end
#
#   63 LYS  HN           62 GLN  HN          4.50    (#     91:15  Preassigned    3.72, 3.77 A)
 &rst
  ixpk= 91, nxpk= 15, iat= 999, 982, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   62 GLN  HE2+         62 GLN  HN          4.50    (#     92:15  Unique         1.90, 3.82 A)
 &rst
  ixpk= 92, nxpk= 15, iat=  -1, 982, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 994, 995,
 &end
#
#   62 GLN  HA           62 GLN  HN          3.50    (#     93:15  Preassigned    2.94, 2.94 A)
 &rst
  ixpk= 93, nxpk= 15, iat= 984, 982, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:94      62 GLN  HN          4.50    (#     94:15  Single Ambig)
 &rst
  ixpk= 94, nxpk= 15, iat=  -1, 982, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1040,1041,1001,
 &end
#
#   65 SER  HB-          62 GLN  HN          4.50    (#     95:15  Preassigned    4.13, 4.70 A)
 &rst
  ixpk= 95, nxpk= 15, iat=  -1, 982, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1040,1041,
 &end
#
#   61 ILE  HA           62 GLN  HN          2.80    (#     96:15  Preassigned    2.20, 2.22 A)
 &rst
  ixpk= 96, nxpk= 15, iat= 965, 982, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   62 GLN  HG-          62 GLN  HN          2.80    (#     97:15  Preassigned    2.36, 3.24 A)
 &rst
  ixpk= 97, nxpk= 15, iat=  -1, 982, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 989, 990,
 &end
#
#    0 AMB  15-3:98      62 GLN  HN          3.50    (#     98:15  Single Ambig)
 &rst
  ixpk= 98, nxpk= 15, iat=  -1, 982, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 986, 987, 986, 987,
 &end
#
#   61 ILE  HG1+         62 GLN  HN          4.50    (#     99:15  Preassigned    4.77, 4.87 A)
 &rst
  ixpk= 99, nxpk= 15, iat=  -1, 982, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 973, 974,
 &end
#
#   61 ILE  QG2          62 GLN  HN          3.50    (#    100:15  Preassigned    3.22, 4.26 A)
 &rst
  ixpk= 100, nxpk= 15, iat=  -1, 982, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 969, 970, 971,
 &end
#
#   55 THR  HN           58 ASP  HN          4.50    (#    101:15  Preassigned    3.46, 3.47 A)
 &rst
  ixpk= 101, nxpk= 15, iat= 872, 916, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   57 SER  HN           58 ASP  HN          3.50    (#    102:15  Preassigned    2.65, 2.66 A)
 &rst
  ixpk= 102, nxpk= 15, iat= 905, 916, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:103     58 ASP  HN          4.50    (#    103:15  Single Ambig)
 &rst
  ixpk= 103, nxpk= 15, iat=  -1, 916, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 886, 949,
 &end
#
#   59 TYR  HN           58 ASP  HN          3.50    (#    104:15  Preassigned    2.58, 2.59 A)
 &rst
  ixpk= 104, nxpk= 15, iat= 928, 916, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   55 THR  HA           58 ASP  HN          5.50    (#    105:15  Preassigned    4.41, 4.42 A)
 &rst
  ixpk= 105, nxpk= 15, iat= 874, 916, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:107     58 ASP  HN          5.50    (#    107:15  Single Ambig)
 &rst
  ixpk= 107, nxpk= 15, iat=  -1, 916, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 930, 850,
 &end
#
#   55 THR  HB           58 ASP  HN          3.50    (#    108:15  Preassigned    3.35, 3.38 A)
 &rst
  ixpk= 108, nxpk= 15, iat= 876, 916, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:109     58 ASP  HN          3.50    (#    109:15  Single Ambig)
 &rst
  ixpk= 109, nxpk= 15, iat=  -1, 916, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 918, 907,
 &end
#
#   57 SER  HB-          58 ASP  HN          3.50    (#    110:15  Preassigned    3.08, 3.54 A)
 &rst
  ixpk= 110, nxpk= 15, iat=  -1, 916, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 909, 910,
 &end
#
#   58 ASP  HB+          58 ASP  HN          3.50    (#    111:15  Preassigned    2.13, 2.57 A)
 &rst
  ixpk= 111, nxpk= 15, iat=  -1, 916, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 920, 921,
 &end
#
#   58 ASP  HB-          58 ASP  HN          3.50    (#    112:15  Preassigned    2.13, 2.57 A)
 &rst
  ixpk= 112, nxpk= 15, iat=  -1, 916, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 920, 921,
 &end
#
#    0 AMB  15-3:113     58 ASP  HN          4.50    (#    113:15  Single Ambig)
 &rst
  ixpk= 113, nxpk= 15, iat=  -1, 916, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 878, 879, 880, 973, 974,
 &end
#
#   72 ARG  HA           73 LEU  HN          3.50    (#    116:15  Preassigned    3.23, 3.30 A)
 &rst
  ixpk= 116, nxpk= 15, iat=1153,1175, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:117     73 LEU  HN          5.50    (#    117:15  Single Ambig)
 &rst
  ixpk= 117, nxpk= 15, iat=  -1,1175, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 630, 631, 630, 631,
 &end
#
#    0 AMB  15-3:118     73 LEU  HN          5.50    (#    118:15  Single Ambig)
 &rst
  ixpk= 118, nxpk= 15, iat=  -1,1175, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1161,1162,1161,1162,1204,1205,
 &end
#
#   71 LEU  HB+          73 LEU  HN          3.50    (#    119:15  Unique         2.21, 3.14 A)
 &rst
  ixpk= 119, nxpk= 15, iat=  -1,1175, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1136,1137,
 &end
#
#    0 AMB  15-3:120     73 LEU  HN          3.50    (#    120:15  Single Ambig)
 &rst
  ixpk= 120, nxpk= 15, iat=  -1,1175, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1=1136,1137,1155,1156,1139,
 &end
#
#   73 LEU  QD+          73 LEU  HN          3.50    (#    121:15  Preassigned    3.17, 4.69 A)
 &rst
  ixpk= 121, nxpk= 15, iat=  -1,1175, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1184,1185,1186,1188,1189,1190,
 &end
#
#   44 ILE  HN           43 LEU  HN          4.50    (#    122:15  Preassigned    4.33, 4.47 A)
 &rst
  ixpk= 122, nxpk= 15, iat= 700, 681, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   42 ARG  HA           43 LEU  HN          2.80    (#    123:15  Preassigned    2.18, 2.28 A)
 &rst
  ixpk= 123, nxpk= 15, iat= 659, 681, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  15-3:124     43 LEU  HN          4.50    (#    124:15  Single Ambig)
 &rst
  ixpk= 124, nxpk= 15, iat=  -1, 681, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 661, 662,1120,
 &end
#
#    0 AMB  15-3:125     43 LEU  HN          4.50    (#    125:15  Single Ambig)
 &rst
  ixpk= 125, nxpk= 15, iat=  -1, 681, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 785, 786, 785, 786,
 &end
#
#   27 LYS  HE-          43 LEU  HN          5.50    (#    126:15  Preassigned    2.11, 2.81 A)
 &rst
  ixpk= 126, nxpk= 15, iat=  -1, 681, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 431, 432,
 &end
#
#   42 ARG  HD-          43 LEU  HN          5.50    (#    127:15  Preassigned    4.40, 4.81 A)
 &rst
  ixpk= 127, nxpk= 15, iat=  -1, 681, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 667, 668,
 &end
#
#   42 ARG  HN           43 LEU  HN          4.50    (#    129:15  Preassigned    4.52, 4.57 A)
 &rst
  ixpk= 129, nxpk= 15, iat= 657, 681, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   43 LEU  HA           43 LEU  HN          4.50    (#    130:15  Preassigned    2.91, 2.94 A)
 &rst
  ixpk= 130, nxpk= 15, iat= 683, 681, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   44 ILE  HG1-         43 LEU  HN          4.50    (#    132:15  Preassigned    4.48, 5.12 A)
 &rst
  ixpk= 132, nxpk= 15, iat=  -1, 681, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 710, 711,
 &end
#
#    0 AMB  15-3:133     43 LEU  HN          3.50    (#    133:15  Single Ambig)
 &rst
  ixpk= 133, nxpk= 15, iat=  -1, 681, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 690, 691, 692, 694, 695, 696, 690, 691, 692, 694,
       695, 696, 360, 361, 362,
 &end
#
#   50 LEU  QD+          43 LEU  HN          5.50    (#    134:15  Preassigned    4.24, 6.29 A)
 &rst
  ixpk= 134, nxpk= 15, iat=  -1, 681, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 804, 805, 806, 808, 809, 810,
 &end
#
#   43 LEU  HB+          43 LEU  HN          3.50    (#    135:15  Preassigned    2.15, 2.80 A)
 &rst
  ixpk= 135, nxpk= 15, iat=  -1, 681, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 685, 686,
 &end
#
#    0 AMB  15-3:136     43 LEU  HN          2.80    (#    136:15  Single Ambig)
 &rst
  ixpk= 136, nxpk= 15, iat=  -1, 681, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 664, 665, 664, 665, 685, 686,
 &end
#
#   18 GLU  HN           21 ASP  HN          4.50    (#    137:15  Preassigned    4.01, 4.05 A)
 &rst
  ixpk= 137, nxpk= 15, iat= 288, 328, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   20 SER  HN           21 ASP  HN          3.50    (#    138:15  Preassigned    2.17, 2.24 A)
 &rst
  ixpk= 138, nxpk= 15, iat= 317, 328, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   21 ASP  HA           21 ASP  HN          3.50    (#    139:15  Preassigned    2.87, 2.88 A)
 &rst
  ixpk= 139, nxpk= 15, iat= 330, 328, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   20 SER  HA           21 ASP  HN          4.50    (#    140:15  Preassigned    3.20, 3.23 A)
 &rst
  ixpk= 140, nxpk= 15, iat= 319, 328, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:141     21 ASP  HN          3.50    (#    141:15  Single Ambig)
 &rst
  ixpk= 141, nxpk= 15, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 313, 321, 322,
 &end
#
#    0 AMB  15-3:142     21 ASP  HN          4.50    (#    142:15  Single Ambig)
 &rst
  ixpk= 142, nxpk= 15, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 321, 322, 304, 305,
 &end
#
#   21 ASP  HB-          21 ASP  HN          2.80    (#    143:15  Preassigned    2.13, 2.85 A)
 &rst
  ixpk= 143, nxpk= 15, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 332, 333,
 &end
#
#   21 ASP  HB+          21 ASP  HN          3.50    (#    144:15  Preassigned    2.13, 2.85 A)
 &rst
  ixpk= 144, nxpk= 15, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 332, 333,
 &end
#
#   18 GLU  HG-          21 ASP  HN          4.50    (#    145:15  Unique         2.20, 3.97 A)
 &rst
  ixpk= 145, nxpk= 15, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 295, 296,
 &end
#
#   18 GLU  HB+          21 ASP  HN          3.50    (#    146:15  Preassigned    2.87, 3.94 A)
 &rst
  ixpk= 146, nxpk= 15, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 292, 293,
 &end
#
#   18 GLU  HB-          21 ASP  HN          3.50    (#    147:15  Preassigned    2.87, 3.94 A)
 &rst
  ixpk= 147, nxpk= 15, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 292, 293,
 &end
#
#   26 VAL  QG+          21 ASP  HN          5.50    (#    148:15  Preassigned    5.66, 7.32 A)
 &rst
  ixpk= 148, nxpk= 15, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 408, 409, 410, 412, 413, 414,
 &end
#
#    0 AMB  15-3:149     21 ASP  HN          3.50    (#    149:15  Single Ambig)
 &rst
  ixpk= 149, nxpk= 15, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 895, 896, 897, 899, 900, 901, 408, 409, 410, 412,
       413, 414,
 &end
#
#   30 ILE  HN           31 GLN  HN          3.50    (#    150:15  Preassigned    2.64, 2.68 A)
 &rst
  ixpk= 150, nxpk= 15, iat= 472, 491, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   32 ASP  HN           31 GLN  HN          3.50    (#    151:15  Preassigned    2.57, 2.59 A)
 &rst
  ixpk= 151, nxpk= 15, iat= 508, 491, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:152     31 GLN  HN          4.50    (#    152:15  Single Ambig)
 &rst
  ixpk= 152, nxpk= 15, iat=  -1, 491, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 450, 440,
 &end
#
#   41 GLN  HE2-         31 GLN  HN          3.50    (#    153:15  Preassigned    2.30, 3.14 A)
 &rst
  ixpk= 153, nxpk= 15, iat=  -1, 491, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 652, 653,
 &end
#
#   41 GLN  HE2+         31 GLN  HN          4.50    (#    154:15  Preassigned    2.30, 3.14 A)
 &rst
  ixpk= 154, nxpk= 15, iat=  -1, 491, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 652, 653,
 &end
#
#   27 LYS  HA           31 GLN  HN          4.50    (#    155:15  Preassigned    4.55, 4.57 A)
 &rst
  ixpk= 155, nxpk= 15, iat= 420, 491, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:156     31 GLN  HN          3.50    (#    156:15  Single Ambig)
 &rst
  ixpk= 156, nxpk= 15, iat=  -1, 491, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 442, 452,
 &end
#
#   31 GLN  HA           31 GLN  HN          3.50    (#    157:15  Preassigned    2.82, 2.83 A)
 &rst
  ixpk= 157, nxpk= 15, iat= 493, 491, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   30 ILE  HA           31 GLN  HN          4.50    (#    158:15  Preassigned    3.50, 3.51 A)
 &rst
  ixpk= 158, nxpk= 15, iat= 474, 491, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   31 GLN  HB+          31 GLN  HN          3.50    (#    159:15  Preassigned    2.48, 2.53 A)
 &rst
  ixpk= 159, nxpk= 15, iat=  -1, 491, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 495, 496,
 &end
#
#   34 GLU  HB+          31 GLN  HN          4.50    (#    160:15  Unique         4.83, 5.73 A)
 &rst
  ixpk= 160, nxpk= 15, iat=  -1, 491, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 546, 547,
 &end
#
#   31 GLN  HB-          31 GLN  HN          2.80    (#    161:15  Preassigned    2.48, 2.53 A)
 &rst
  ixpk= 161, nxpk= 15, iat=  -1, 491, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 495, 496,
 &end
#
#    0 AMB  15-3:162     31 GLN  HN          3.50    (#    162:15  Single Ambig)
 &rst
  ixpk= 162, nxpk= 15, iat=  -1, 491, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 482, 483, 478, 479, 480,
 &end
#
#   27 LYS  HN           28 ALA  HN          3.50    (#    163:15  Preassigned    2.85, 2.86 A)
 &rst
  ixpk= 163, nxpk= 15, iat= 418, 440, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   26 VAL  HN           28 ALA  HN          4.50    (#    164:15  Preassigned    4.34, 4.37 A)
 &rst
  ixpk= 164, nxpk= 15, iat= 402, 440, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   25 ASN  HA           28 ALA  HN          3.50    (#    165:15  Preassigned    3.61, 3.67 A)
 &rst
  ixpk= 165, nxpk= 15, iat= 390, 440, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   28 ALA  HA           28 ALA  HN          3.50    (#    166:15  Preassigned    2.75, 2.76 A)
 &rst
  ixpk= 166, nxpk= 15, iat= 442, 440, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   24 GLU  HA           28 ALA  HN          4.50    (#    167:15  Preassigned    4.48, 4.53 A)
 &rst
  ixpk= 167, nxpk= 15, iat= 375, 440, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   25 ASN  HB+          28 ALA  HN          5.50    (#    168:15  Preassigned    5.54, 5.82 A)
 &rst
  ixpk= 168, nxpk= 15, iat=  -1, 440, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 392, 393,
 &end
#
#    0 AMB  15-3:169     28 ALA  HN          4.50    (#    169:15  Single Ambig)
 &rst
  ixpk= 169, nxpk= 15, iat=  -1, 440, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 380, 381, 380, 381, 406, 476,
 &end
#
#   27 LYS  HB-          28 ALA  HN          3.50    (#    170:15  Preassigned    2.36, 2.97 A)
 &rst
  ixpk= 170, nxpk= 15, iat=  -1, 440, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 422, 423,
 &end
#
#   29 LYS  HG-          28 ALA  HN          4.50    (#    171:15  Unique         4.36, 4.69 A)
 &rst
  ixpk= 171, nxpk= 15, iat=  -1, 440, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 457, 458,
 &end
#
#   28 ALA  QB           28 ALA  HN          2.80    (#    172:15  Unique         2.10, 2.88 A)
 &rst
  ixpk= 172, nxpk= 15, iat=  -1, 440, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 444, 445, 446,
 &end
#
#   27 LYS  HB+          28 ALA  HN          3.50    (#    173:15  Preassigned    2.36, 2.97 A)
 &rst
  ixpk= 173, nxpk= 15, iat=  -1, 440, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 422, 423,
 &end
#
#    0 AMB  15-3:174     28 ALA  HN          4.50    (#    174:15  Single Ambig)
 &rst
  ixpk= 174, nxpk= 15, iat=  -1, 440, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 482, 483, 408, 409, 410, 412, 413, 414,
 &end
#
#   50 LEU  QD-          51 GLU  HN          4.50    (#    175:15  Preassigned    4.13, 5.27 A)
 &rst
  ixpk= 175, nxpk= 15, iat=  -1, 814, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 804, 805, 806, 808, 809, 810,
 &end
#
#   59 TYR  HE1          51 GLU  HN          3.50    (#    176:15  Preassigned    2.75, 2.89 A)
 &rst
  ixpk= 176, nxpk= 15, iat= 938, 814, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    7 THR  HB           69 LEU  HN          4.50    (#    177:15  Preassigned    4.73, 4.77 A)
 &rst
  ixpk= 177, nxpk= 15, iat= 119,1097, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   51 GLU  HA           51 GLU  HN          3.50    (#    178:15  Preassigned    2.93, 2.94 A)
 &rst
  ixpk= 178, nxpk= 15, iat= 816, 814, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   50 LEU  HA           51 GLU  HN          2.80    (#    179:15  Preassigned    2.39, 2.46 A)
 &rst
  ixpk= 179, nxpk= 15, iat= 797, 814, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   51 GLU  HG+          51 GLU  HN          3.50    (#    180:15  Preassigned    2.54, 3.26 A)
 &rst
  ixpk= 180, nxpk= 15, iat=  -1, 814, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 821, 822,
 &end
#
#   51 GLU  HB+          51 GLU  HN          3.50    (#    181:15  Preassigned    2.90, 3.41 A)
 &rst
  ixpk= 181, nxpk= 15, iat=  -1, 814, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 818, 819,
 &end
#
#    0 AMB  15-3:182     69 LEU  HN          4.50    (#    182:15  Single Ambig)
 &rst
  ixpk= 182, nxpk= 15, iat=  -1,1097, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=  81, 133, 134, 133, 134, 482, 483,
 &end
#
#   50 LEU  HB+          51 GLU  HN          3.50    (#    183:15  Preassigned    2.29, 2.81 A)
 &rst
  ixpk= 183, nxpk= 15, iat=  -1, 814, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 799, 800,
 &end
#
#    0 AMB  15-3:184      0 AMB  15-1:184    4.50    (#    184:15  Double Ambig)
 &rst
  ixpk= 184, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1101,1102, 799, 800,
 igr2=1097, 814,
 &end
#
#    0 AMB  15-3:185     51 GLU  HN          4.50    (#    185:15  Single Ambig)
 &rst
  ixpk= 185, nxpk= 15, iat=  -1, 814, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 804, 805, 806, 808, 809, 810, 367, 368, 369,
 &end
#
#    0 AMB  15-3:186     69 LEU  HN          3.50    (#    186:15  Single Ambig)
 &rst
  ixpk= 186, nxpk= 15, iat=  -1,1097, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 129,  93,1080,1116,
 &end
#
#    0 AMB  15-3:187     69 LEU  HN          2.80    (#    187:15  Single Ambig)
 &rst
  ixpk= 187, nxpk= 15, iat=  -1,1097, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1082,1099,
 &end
#
#    7 THR  HB           69 LEU  HN          4.50    (#    188:15  Preassigned    4.73, 4.77 A)
 &rst
  ixpk= 188, nxpk= 15, iat= 119,1097, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   68 HIS  HB+          69 LEU  HN          3.50    (#    189:15  Preassigned    3.46, 4.03 A)
 &rst
  ixpk= 189, nxpk= 15, iat=  -1,1097, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1084,1085,
 &end
#
#   68 HIS  HB-          69 LEU  HN          4.50    (#    190:15  Preassigned    3.46, 4.03 A)
 &rst
  ixpk= 190, nxpk= 15, iat=  -1,1097, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1084,1085,
 &end
#
#   69 LEU  HB-          69 LEU  HN          3.50    (#    191:15  Preassigned    2.22, 2.59 A)
 &rst
  ixpk= 191, nxpk= 15, iat=  -1,1097, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1101,1102,
 &end
#
#   23 ILE  HG1-         51 GLU  HN          3.50    (#    192:15  Unique         2.44, 2.84 A)
 &rst
  ixpk= 192, nxpk= 15, iat=  -1, 814, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 364, 365,
 &end
#
#    0 AMB  15-3:193      0 AMB  15-1:193    3.50    (#    193:15  Double Ambig)
 &rst
  ixpk= 193, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1101,1102, 799, 800,
 igr2=1097, 814,
 &end
#
#    0 AMB  15-3:194     69 LEU  HN          3.50    (#    194:15  Single Ambig)
 &rst
  ixpk= 194, nxpk= 15, iat=  -1,1097, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1106,1107,1108,1110,1111,1112,1122,1123,1124,1126,
      1127,1128, 690, 691, 692, 694, 695, 696, 690, 691,
       692, 694, 695, 696,
 &end
#
#    0 AMB  15-3:195     69 LEU  HN          3.50    (#    195:15  Single Ambig)
 &rst
  ixpk= 195, nxpk= 15, iat=  -1,1097, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  83,  84,  85,  87,  88,  89,  83,  84,  85,  87,
        88,  89,1106,1107,1108,1110,1111,1112,
 &end
#
#    0 AMB  15-3:196     14 THR  HN          4.50    (#    196:15  Single Ambig)
 &rst
  ixpk= 196, nxpk= 15, iat=  -1, 224, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 218, 219, 220,  83,  84,  85,  87,  88,  89,  83,
        84,  85,  87,  88,  89,
 &end
#
#   13 ILE  QG2          14 THR  HN          4.50    (#    197:15  Preassigned    4.80, 5.29 A)
 &rst
  ixpk= 197, nxpk= 15, iat=  -1, 224, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 211, 212, 213,
 &end
#
#   14 THR  QG2          14 THR  HN          4.50    (#    198:15  Preassigned    4.44, 4.57 A)
 &rst
  ixpk= 198, nxpk= 15, iat=  -1, 224, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 230, 231, 232,
 &end
#
#   13 ILE  HG1+         14 THR  HN          4.50    (#    199:15  Preassigned    2.99, 3.80 A)
 &rst
  ixpk= 199, nxpk= 15, iat=  -1, 224, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 215, 216,
 &end
#
#   13 ILE  HB           14 THR  HN          4.50    (#    200:15  Preassigned    4.22, 4.27 A)
 &rst
  ixpk= 200, nxpk= 15, iat= 209, 224, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   14 THR  HB           14 THR  HN          3.50    (#    201:15  Preassigned    2.65, 2.66 A)
 &rst
  ixpk= 201, nxpk= 15, iat= 228, 224, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   13 ILE  HA           14 THR  HN          2.80    (#    202:15  Preassigned    2.15, 2.17 A)
 &rst
  ixpk= 202, nxpk= 15, iat= 207, 224, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  15-3:203     14 THR  HN          4.50    (#    203:15  Single Ambig)
 &rst
  ixpk= 203, nxpk= 15, iat=  -1, 224, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 238, 191,
 &end
#
#   13 ILE  HN           14 THR  HN          4.50    (#    204:15  Preassigned    4.13, 4.19 A)
 &rst
  ixpk= 204, nxpk= 15, iat= 205, 224, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   50 LEU  QD+          44 ILE  HN          4.50    (#    205:15  Preassigned    3.08, 5.37 A)
 &rst
  ixpk= 205, nxpk= 15, iat=  -1, 700, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 804, 805, 806, 808, 809, 810,
 &end
#
#    0 AMB  15-3:206     44 ILE  HN          3.50    (#    206:15  Single Ambig)
 &rst
  ixpk= 206, nxpk= 15, iat=  -1, 700, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 706, 707, 708,1070,1071,1072,1074,1075,1076, 713,
       714, 715,  83,  84,  85,  87,  88,  89,  83,  84,
        85,  87,  88,  89,
 &end
#
#    0 AMB  15-3:207     44 ILE  HN          3.50    (#    207:15  Single Ambig)
 &rst
  ixpk= 207, nxpk= 15, iat=  -1, 700, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 690, 691, 692, 694, 695, 696, 690, 691, 692, 694,
       695, 696,
 &end
#
#   44 ILE  HG1-         44 ILE  HN          3.50    (#    208:15  Preassigned    3.12, 3.70 A)
 &rst
  ixpk= 208, nxpk= 15, iat=  -1, 700, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 710, 711,
 &end
#
#   43 LEU  HB+          44 ILE  HN          3.50    (#    209:15  Preassigned    3.16, 3.85 A)
 &rst
  ixpk= 209, nxpk= 15, iat=  -1, 700, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 685, 686,
 &end
#
#   44 ILE  HG1+         44 ILE  HN          3.50    (#    210:15  Preassigned    3.12, 3.70 A)
 &rst
  ixpk= 210, nxpk= 15, iat=  -1, 700, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 710, 711,
 &end
#
#    0 AMB  15-3:211     44 ILE  HN          3.50    (#    211:15  Single Ambig)
 &rst
  ixpk= 211, nxpk= 15, iat=  -1, 700, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 685, 686, 664, 665, 664, 665,
 &end
#
#   44 ILE  HB           44 ILE  HN          3.50    (#    212:15  Preassigned    2.36, 2.58 A)
 &rst
  ixpk= 212, nxpk= 15, iat= 704, 700, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   68 HIS  HB-          44 ILE  HN          4.50    (#    213:15  Preassigned    3.11, 3.39 A)
 &rst
  ixpk= 213, nxpk= 15, iat=  -1, 700, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1084,1085,
 &end
#
#   68 HIS  HB+          44 ILE  HN          4.50    (#    214:15  Preassigned    3.11, 3.39 A)
 &rst
  ixpk= 214, nxpk= 15, iat=  -1, 700, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1084,1085,
 &end
#
#   44 ILE  HA           44 ILE  HN          3.50    (#    215:15  Preassigned    2.94, 2.94 A)
 &rst
  ixpk= 215, nxpk= 15, iat= 702, 700, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:216     44 ILE  HN          3.50    (#    216:15  Single Ambig)
 &rst
  ixpk= 216, nxpk= 15, iat=  -1, 700, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1099,1082, 721,
 &end
#
#   43 LEU  HA           44 ILE  HN          2.80    (#    217:15  Preassigned    2.14, 2.20 A)
 &rst
  ixpk= 217, nxpk= 15, iat= 683, 700, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  15-3:218     44 ILE  HN          4.50    (#    218:15  Single Ambig)
 &rst
  ixpk= 218, nxpk= 15, iat=  -1, 700, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 681, 719,
 &end
#
#   68 HIS  HN           44 ILE  HN          3.50    (#    219:15  Preassigned    2.74, 2.97 A)
 &rst
  ixpk= 219, nxpk= 15, iat=1080, 700, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:220      2 GLN  HN          4.50    (#    220:15  Single Ambig)
 &rst
  ixpk= 220, nxpk= 15, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1006,1007,1006,1007,
 &end
#
#    2 GLN  HB+           2 GLN  HN          3.50    (#    221:15  Preassigned    2.99, 3.47 A)
 &rst
  ixpk= 221, nxpk= 15, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  25,  26,
 &end
#
#    2 GLN  HB-           2 GLN  HN          2.80    (#    222:15  Preassigned    2.99, 3.47 A)
 &rst
  ixpk= 222, nxpk= 15, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=  25,  26,
 &end
#
#    1 MET  HB-           2 GLN  HN          2.80    (#    223:15  Preassigned    2.28, 3.11 A)
 &rst
  ixpk= 223, nxpk= 15, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=   8,   9,
 &end
#
#    0 AMB  15-3:224      2 GLN  HN          3.50    (#    224:15  Single Ambig)
 &rst
  ixpk= 224, nxpk= 15, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=  28,  29,1028,1029,1028,1029, 264, 265,
 &end
#
#    1 MET  HG+           2 GLN  HN          4.50    (#    225:15  Preassigned    2.15, 2.84 A)
 &rst
  ixpk= 225, nxpk= 15, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  11,  12,
 &end
#
#   63 LYS  HA            2 GLN  HN          4.50    (#    226:15  Preassigned    3.28, 3.33 A)
 &rst
  ixpk= 226, nxpk= 15, iat=1001,  21, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    1 MET  HA            2 GLN  HN          2.80    (#    227:15  Preassigned    2.57, 2.60 A)
 &rst
  ixpk= 227, nxpk= 15, iat=   6,  21, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    2 GLN  HA            2 GLN  HN          3.50    (#    229:15  Preassigned    2.92, 2.92 A)
 &rst
  ixpk= 229, nxpk= 15, iat=  23,  21, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    3 ILE  HN            2 GLN  HN          4.50    (#    230:15  Preassigned    4.41, 4.42 A)
 &rst
  ixpk= 230, nxpk= 15, iat=  38,  21, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   48 LYS  HN           49 GLN  HN          4.50    (#    231:15  Preassigned    4.19, 4.34 A)
 &rst
  ixpk= 231, nxpk= 15, iat= 756, 778, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:232     49 GLN  HN          2.80    (#    232:15  Single Ambig)
 &rst
  ixpk= 232, nxpk= 15, iat=  -1, 778, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 758, 780,
 &end
#
#    0 AMB  15-3:233     49 GLN  HN          3.50    (#    233:15  Single Ambig)
 &rst
  ixpk= 233, nxpk= 15, iat=  -1, 778, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 785, 786, 785, 786,
 &end
#
#    0 AMB  15-3:234     49 GLN  HN          2.80    (#    234:15  Single Ambig)
 &rst
  ixpk= 234, nxpk= 15, iat=  -1, 778, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 766, 767, 766, 767, 782, 783, 760, 761,
 &end
#
#    0 AMB  15-3:235     49 GLN  HN          3.50    (#    235:15  Single Ambig)
 &rst
  ixpk= 235, nxpk= 15, iat=  -1, 778, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 763, 764, 763, 764,
 &end
#
#    0 AMB  15-3:236     49 GLN  HN          4.50    (#    236:15  Single Ambig)
 &rst
  ixpk= 236, nxpk= 15, iat=  -1, 778, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 706, 707, 708, 713, 714, 715,
 &end
#
#   74 ARG  HA           74 ARG  HN          3.50    (#    238:15  Preassigned    2.27, 2.28 A)
 &rst
  ixpk= 238, nxpk= 15, iat=1196,1194, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   40 GLN  HA           74 ARG  HN          4.50    (#    239:15  Preassigned    1.70, 1.85 A)
 &rst
  ixpk= 239, nxpk= 15, iat= 625,1194, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:240     74 ARG  HN          4.50    (#    240:15  Single Ambig)
 &rst
  ixpk= 240, nxpk= 15, iat=  -1,1194, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1161,1162,1161,1162,1204,1205,1204,1205,
 &end
#
#    0 AMB  15-3:242     74 ARG  HN          4.50    (#    242:15  Single Ambig)
 &rst
  ixpk= 242, nxpk= 15, iat=  -1,1194, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 630, 631, 630, 631, 627, 628,
 &end
#
#    0 AMB  15-3:243     74 ARG  HN          2.80    (#    243:15  Single Ambig)
 &rst
  ixpk= 243, nxpk= 15, iat=  -1,1194, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1155,1156,1198,1199,
 &end
#
#    0 AMB  15-3:244     74 ARG  HN          3.50    (#    244:15  Single Ambig)
 &rst
  ixpk= 244, nxpk= 15, iat=  -1,1194, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1155,1156,1158,1159,1158,1159,
 &end
#
#   73 LEU  QD+          74 ARG  HN          4.50    (#    246:15  Preassigned    4.73, 6.02 A)
 &rst
  ixpk= 246, nxpk= 15, iat=  -1,1194, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1184,1185,1186,1188,1189,1190,
 &end
#
#   70 VAL  HN           42 ARG  HN          4.50    (#    247:15  Preassigned    3.82, 3.91 A)
 &rst
  ixpk= 247, nxpk= 15, iat=1116, 657, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   27 LYS  HN           26 VAL  HN          3.50    (#    248:15  Preassigned    2.70, 2.72 A)
 &rst
  ixpk= 248, nxpk= 15, iat= 418, 402, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   25 ASN  HN           26 VAL  HN          3.50    (#    249:15  Preassigned    2.65, 2.68 A)
 &rst
  ixpk= 249, nxpk= 15, iat= 388, 402, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   15 LEU  HA           16 GLU  HN          2.80    (#    250:15  Preassigned    2.17, 2.18 A)
 &rst
  ixpk= 250, nxpk= 15, iat= 240, 257, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  15-3:251      0 AMB  15-1:251    3.50    (#    251:15  Double Ambig)
 &rst
  ixpk= 251, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 659, 390,
 igr2= 657, 402,
 &end
#
#   41 GLN  HA           42 ARG  HN          2.80    (#    252:15  Preassigned    2.17, 2.18 A)
 &rst
  ixpk= 252, nxpk= 15, iat= 642, 657, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   23 ILE  HA           26 VAL  HN          4.50    (#    253:15  Preassigned    3.27, 3.30 A)
 &rst
  ixpk= 253, nxpk= 15, iat= 356, 402, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   26 VAL  HA           26 VAL  HN          3.50    (#    254:15  Preassigned    2.79, 2.81 A)
 &rst
  ixpk= 254, nxpk= 15, iat= 404, 402, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   25 ASN  HB+          26 VAL  HN          3.50    (#    255:15  Preassigned    3.40, 3.76 A)
 &rst
  ixpk= 255, nxpk= 15, iat=  -1, 402, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 392, 393,
 &end
#
#   25 ASN  HB-          26 VAL  HN          3.50    (#    256:15  Preassigned    3.40, 3.76 A)
 &rst
  ixpk= 256, nxpk= 15, iat=  -1, 402, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 392, 393,
 &end
#
#   26 VAL  HB           26 VAL  HN          2.80    (#    257:15  Preassigned    2.51, 2.52 A)
 &rst
  ixpk= 257, nxpk= 15, iat= 406, 402, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  15-3:258      0 AMB  15-1:258    4.50    (#    258:15  Double Ambig)
 &rst
  ixpk= 258, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 647, 648, 332, 333,
 igr2= 657, 402,
 &end
#
#   17 VAL  HN           16 GLU  HN          4.50    (#    259:15  Preassigned    4.40, 4.45 A)
 &rst
  ixpk= 259, nxpk= 15, iat= 272, 257, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 LEU  HN           16 GLU  HN          4.50    (#    260:15  Preassigned    4.35, 4.37 A)
 &rst
  ixpk= 260, nxpk= 15, iat= 238, 257, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   16 GLU  HG-          16 GLU  HN          4.50    (#    261:15  Preassigned    3.29, 3.70 A)
 &rst
  ixpk= 261, nxpk= 15, iat=  -1, 257, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 264, 265,
 &end
#
#   16 GLU  HG+          16 GLU  HN          3.50    (#    262:15  Preassigned    3.29, 3.70 A)
 &rst
  ixpk= 262, nxpk= 15, iat=  -1, 257, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 264, 265,
 &end
#
#   16 GLU  HB-          16 GLU  HN          2.80    (#    263:15  Preassigned    2.13, 2.78 A)
 &rst
  ixpk= 263, nxpk= 15, iat=  -1, 257, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 261, 262,
 &end
#
#    0 AMB  15-3:264     16 GLU  HN          3.50    (#    264:15  Single Ambig)
 &rst
  ixpk= 264, nxpk= 15, iat=  -1, 257, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 242, 243, 245,
 &end
#
#   15 LEU  HB+          16 GLU  HN          3.50    (#    265:15  Preassigned    3.12, 3.73 A)
 &rst
  ixpk= 265, nxpk= 15, iat=  -1, 257, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 242, 243,
 &end
#
#   26 VAL  QG+          26 VAL  HN          2.80    (#    266:15  Preassigned    2.18, 3.78 A)
 &rst
  ixpk= 266, nxpk= 15, iat=  -1, 402, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 408, 409, 410, 412, 413, 414,
 &end
#
#    0 AMB  15-3:267      0 AMB  15-1:267    2.80    (#    267:15  Double Ambig)
 &rst
  ixpk= 267, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 408, 409, 410, 412, 413, 414, 247, 248, 249, 251,
       252, 253,
 igr2= 402, 257,
 &end
#
#    7 THR  HN           11 LYS  HN          4.50    (#    268:15  Preassigned    2.97, 3.07 A)
 &rst
  ixpk= 268, nxpk= 15, iat= 115, 169, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 THR  HN           11 LYS  HN          4.50    (#    269:15  Preassigned    4.49, 4.54 A)
 &rst
  ixpk= 269, nxpk= 15, iat= 191, 169, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   10 GLY  HN           11 LYS  HN          2.80    (#    270:15  Preassigned    2.00, 2.07 A)
 &rst
  ixpk= 270, nxpk= 15, iat= 162, 169, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    7 THR  HA           11 LYS  HN          4.50    (#    271:15  Preassigned    4.81, 4.89 A)
 &rst
  ixpk= 271, nxpk= 15, iat= 117, 169, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    7 THR  HB           11 LYS  HN          4.50    (#    272:15  Preassigned    4.06, 4.22 A)
 &rst
  ixpk= 272, nxpk= 15, iat= 119, 169, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   10 GLY  HA-          11 LYS  HN          3.50    (#    273:15  Preassigned    2.99, 3.26 A)
 &rst
  ixpk= 273, nxpk= 15, iat=  -1, 169, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 164, 165,
 &end
#
#   11 LYS  HA           11 LYS  HN          3.50    (#    274:15  Preassigned    2.92, 2.93 A)
 &rst
  ixpk= 274, nxpk= 15, iat= 171, 169, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   10 GLY  HA+          11 LYS  HN          3.50    (#    275:15  Preassigned    2.99, 3.26 A)
 &rst
  ixpk= 275, nxpk= 15, iat=  -1, 169, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 164, 165,
 &end
#
#   11 LYS  HB-          11 LYS  HN          2.80    (#    276:15  Preassigned    2.22, 2.92 A)
 &rst
  ixpk= 276, nxpk= 15, iat=  -1, 169, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 173, 174,
 &end
#
#   11 LYS  HB+          11 LYS  HN          2.80    (#    277:15  Preassigned    2.22, 2.92 A)
 &rst
  ixpk= 277, nxpk= 15, iat=  -1, 169, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 173, 174,
 &end
#
#   11 LYS  HG+          11 LYS  HN          4.50    (#    278:15  Preassigned    3.39, 3.71 A)
 &rst
  ixpk= 278, nxpk= 15, iat=  -1, 169, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 176, 177,
 &end
#
#    0 AMB  15-3:279     11 LYS  HN          3.50    (#    279:15  Single Ambig)
 &rst
  ixpk= 279, nxpk= 15, iat=  -1, 169, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 176, 177, 154, 155, 156, 121, 122, 123,
 &end
#
#   12 THR  QG2          11 LYS  HN          7.00    (#    280:15  Preassigned    6.89, 7.59 A)
 &rst
  ixpk= 280, nxpk= 15, iat=  -1, 169, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 197, 198, 199,
 &end
#
#   13 ILE  HN            5 VAL  HN          3.50    (#    281:15  Preassigned    3.50, 3.52 A)
 &rst
  ixpk= 281, nxpk= 15, iat= 205,  77, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    6 LYS  HN            5 VAL  HN          4.50    (#    282:15  Preassigned    4.06, 4.09 A)
 &rst
  ixpk= 282, nxpk= 15, iat=  93,  77, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    4 PHE  HD2           5 VAL  HN          5.50    (#    283:15  Preassigned    4.65, 4.72 A)
 &rst
  ixpk= 283, nxpk= 15, iat=  73,  77, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    4 PHE  HA            5 VAL  HN          2.80    (#    284:15  Preassigned    2.18, 2.19 A)
 &rst
  ixpk= 284, nxpk= 15, iat=  59,  77, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  15-3:285      5 VAL  HN          4.50    (#    285:15  Single Ambig)
 &rst
  ixpk= 285, nxpk= 15, iat=  -1,  77, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1049,  95,
 &end
#
#   12 THR  HA            5 VAL  HN          4.50    (#    286:15  Preassigned    4.69, 4.73 A)
 &rst
  ixpk= 286, nxpk= 15, iat= 193,  77, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   14 THR  HA            5 VAL  HN          4.50    (#    287:15  Preassigned    2.82, 2.89 A)
 &rst
  ixpk= 287, nxpk= 15, iat= 226,  77, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    5 VAL  HA            5 VAL  HN          4.50    (#    288:15  Preassigned    2.90, 2.91 A)
 &rst
  ixpk= 288, nxpk= 15, iat=  79,  77, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    4 PHE  HB-           5 VAL  HN          4.50    (#    289:15  Preassigned    3.89, 4.10 A)
 &rst
  ixpk= 289, nxpk= 15, iat=  -1,  77, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  61,  62,
 &end
#
#    4 PHE  HB+           5 VAL  HN          3.50    (#    290:15  Preassigned    3.89, 4.10 A)
 &rst
  ixpk= 290, nxpk= 15, iat=  -1,  77, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  61,  62,
 &end
#
#    0 AMB  15-3:291      5 VAL  HN          5.50    (#    291:15  Single Ambig)
 &rst
  ixpk= 291, nxpk= 15, iat=  -1,  77, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 209, 524, 525,1068,
 &end
#
#    5 VAL  HB            5 VAL  HN          3.50    (#    292:15  Preassigned    2.60, 2.72 A)
 &rst
  ixpk= 292, nxpk= 15, iat=  81,  77, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   13 ILE  HG1+          5 VAL  HN          4.50    (#    293:15  Preassigned    4.52, 5.23 A)
 &rst
  ixpk= 293, nxpk= 15, iat=  -1,  77, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 215, 216,
 &end
#
#    0 AMB  15-3:294      5 VAL  HN          3.50    (#    294:15  Single Ambig)
 &rst
  ixpk= 294, nxpk= 15, iat=  -1,  77, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 197, 198, 199, 215, 216,  48,  49,
 &end
#
#   13 ILE  QG2           5 VAL  HN          3.50    (#    295:15  Unique         3.14, 4.23 A)
 &rst
  ixpk= 295, nxpk= 15, iat=  -1,  77, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 211, 212, 213,
 &end
#
#    0 AMB  15-3:296      5 VAL  HN          2.80    (#    296:15  Single Ambig)
 &rst
  ixpk= 296, nxpk= 15, iat=  -1,  77, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=  83,  84,  85,  87,  88,  89,  83,  84,  85,  87,
        88,  89,
 &end
#
#   22 THR  HB           23 ILE  HN          2.80    (#    297:15  Preassigned    2.87, 2.95 A)
 &rst
  ixpk= 297, nxpk= 15, iat= 344, 354, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   72 ARG  HA           72 ARG  HN          2.80    (#    298:15  Unique         2.75, 2.77 A)
 &rst
  ixpk= 298, nxpk= 15, iat=1153,1151, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   53 GLY  HA+          23 ILE  HN          5.50    (#    299:15  Preassigned    5.35, 5.84 A)
 &rst
  ixpk= 299, nxpk= 15, iat=  -1, 354, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 843, 844,
 &end
#
#   23 ILE  HA           23 ILE  HN          3.50    (#    300:15  Preassigned    2.68, 2.72 A)
 &rst
  ixpk= 300, nxpk= 15, iat= 356, 354, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:301     72 ARG  HN          4.50    (#    301:15  Single Ambig)
 &rst
  ixpk= 301, nxpk= 15, iat=  -1,1151, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1161,1162,1161,1162,
 &end
#
#    0 AMB  15-3:303     72 ARG  HN          2.80    (#    303:15  Single Ambig)
 &rst
  ixpk= 303, nxpk= 15, iat=  -1,1151, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr1=1155,1156, 661, 662,1139,
 &end
#
#   23 ILE  HG1-         23 ILE  HN          3.50    (#    304:15  Preassigned    2.13, 2.95 A)
 &rst
  ixpk= 304, nxpk= 15, iat=  -1, 354, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 364, 365,
 &end
#
#    0 AMB  15-3:305     72 ARG  HN          3.50    (#    305:15  Single Ambig)
 &rst
  ixpk= 305, nxpk= 15, iat=  -1,1151, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1122,1123,1124,1126,1127,1128,1141,1142,1143,1145,
      1146,1147,1141,1142,1143,1145,1146,1147,1184,1185,
      1186,1188,1189,1190,
 &end
#
#   23 ILE  QD1          23 ILE  HN          3.50    (#    306:15  Preassigned    2.05, 3.01 A)
 &rst
  ixpk= 306, nxpk= 15, iat=  -1, 354, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 367, 368, 369,
 &end
#
#   55 THR  HA           23 ILE  HN          3.50    (#    307:15  Preassigned    2.54, 2.61 A)
 &rst
  ixpk= 307, nxpk= 15, iat= 874, 354, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   31 GLN  HN           30 ILE  HN          3.50    (#    308:15  Preassigned    2.64, 2.68 A)
 &rst
  ixpk= 308, nxpk= 15, iat= 491, 472, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   32 ASP  HN           30 ILE  HN          4.50    (#    309:15  Preassigned    4.17, 4.18 A)
 &rst
  ixpk= 309, nxpk= 15, iat= 508, 472, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   29 LYS  HN           30 ILE  HN          3.50    (#    310:15  Preassigned    2.74, 2.76 A)
 &rst
  ixpk= 310, nxpk= 15, iat= 450, 472, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   41 GLN  HE2-         30 ILE  HN          4.50    (#    311:15  Preassigned    3.53, 4.32 A)
 &rst
  ixpk= 311, nxpk= 15, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 652, 653,
 &end
#
#   27 LYS  HA           30 ILE  HN          4.50    (#    312:15  Preassigned    3.39, 3.46 A)
 &rst
  ixpk= 312, nxpk= 15, iat= 420, 472, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:313     30 ILE  HN          3.50    (#    313:15  Single Ambig)
 &rst
  ixpk= 313, nxpk= 15, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 452, 442,
 &end
#
#   30 ILE  HA           30 ILE  HN          3.50    (#    314:15  Preassigned    2.79, 2.80 A)
 &rst
  ixpk= 314, nxpk= 15, iat= 474, 472, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   30 ILE  HB           30 ILE  HN          3.50    (#    315:15  Preassigned    2.72, 2.75 A)
 &rst
  ixpk= 315, nxpk= 15, iat= 476, 472, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   29 LYS  HB+          30 ILE  HN          3.50    (#    316:15  Preassigned    2.49, 3.17 A)
 &rst
  ixpk= 316, nxpk= 15, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 454, 455,
 &end
#
#   30 ILE  HG1+         30 ILE  HN          3.50    (#    317:15  Preassigned    2.13, 2.86 A)
 &rst
  ixpk= 317, nxpk= 15, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 482, 483,
 &end
#
#    0 AMB  15-3:318     30 ILE  HN          4.50    (#    318:15  Single Ambig)
 &rst
  ixpk= 318, nxpk= 15, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 457, 458, 460, 461,
 &end
#
#    0 AMB  15-3:319     30 ILE  HN          3.50    (#    319:15  Single Ambig)
 &rst
  ixpk= 319, nxpk= 15, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 457, 458, 527, 528, 527, 528, 444, 445, 446,
 &end
#
#    0 AMB  15-3:320     30 ILE  HN          4.50    (#    320:15  Single Ambig)
 &rst
  ixpk= 320, nxpk= 15, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 422, 423, 425, 426, 460, 461, 245,
 &end
#
#   30 ILE  QD1          30 ILE  HN          3.50    (#    321:15  Preassigned    2.00, 2.91 A)
 &rst
  ixpk= 321, nxpk= 15, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 485, 486, 487,
 &end
#
#   30 ILE  HG1-         30 ILE  HN          2.80    (#    322:15  Unique         2.13, 2.86 A)
 &rst
  ixpk= 322, nxpk= 15, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 482, 483,
 &end
#
#    0 AMB  15-3:323     25 ASN  HN          4.50    (#    323:15  Single Ambig)
 &rst
  ixpk= 323, nxpk= 15, iat=  -1, 388, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 418, 354,
 &end
#
#   26 VAL  HN           25 ASN  HN          3.50    (#    324:15  Preassigned    2.65, 2.68 A)
 &rst
  ixpk= 324, nxpk= 15, iat= 402, 388, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   22 THR  HB           25 ASN  HN          3.50    (#    325:15  Preassigned    3.71, 3.77 A)
 &rst
  ixpk= 325, nxpk= 15, iat= 344, 388, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   25 ASN  HA           25 ASN  HN          3.50    (#    326:15  Preassigned    2.80, 2.81 A)
 &rst
  ixpk= 326, nxpk= 15, iat= 390, 388, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   24 GLU  HA           25 ASN  HN          4.50    (#    327:15  Preassigned    3.56, 3.57 A)
 &rst
  ixpk= 327, nxpk= 15, iat= 375, 388, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   25 ASN  HB+          25 ASN  HN          3.50    (#    328:15  Preassigned    2.10, 2.90 A)
 &rst
  ixpk= 328, nxpk= 15, iat=  -1, 388, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 392, 393,
 &end
#
#   25 ASN  HB-          25 ASN  HN          3.50    (#    329:15  Preassigned    2.10, 2.90 A)
 &rst
  ixpk= 329, nxpk= 15, iat=  -1, 388, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 392, 393,
 &end
#
#    0 AMB  15-3:330     25 ASN  HN          3.50    (#    330:15  Single Ambig)
 &rst
  ixpk= 330, nxpk= 15, iat=  -1, 388, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 380, 381, 380, 381,
 &end
#
#    0 AMB  15-3:331     25 ASN  HN          3.50    (#    331:15  Single Ambig)
 &rst
  ixpk= 331, nxpk= 15, iat=  -1, 388, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 377, 378, 377, 378,
 &end
#
#   22 THR  QG2          25 ASN  HN          4.50    (#    332:15  Preassigned    5.58, 5.80 A)
 &rst
  ixpk= 332, nxpk= 15, iat=  -1, 388, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 346, 347, 348,
 &end
#
#   26 VAL  QG+          25 ASN  HN          4.50    (#    333:15  Preassigned    4.26, 6.20 A)
 &rst
  ixpk= 333, nxpk= 15, iat=  -1, 388, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 408, 409, 410, 412, 413, 414,
 &end
#
#    0 AMB  15-3:334     12 THR  HN          4.50    (#    334:15  Single Ambig)
 &rst
  ixpk= 334, nxpk= 15, iat=  -1, 191, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 115, 224,
 &end
#
#   11 LYS  HN           12 THR  HN          4.50    (#    335:15  Preassigned    4.49, 4.54 A)
 &rst
  ixpk= 335, nxpk= 15, iat= 169, 191, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 THR  HA           12 THR  HN          3.50    (#    336:15  Preassigned    2.94, 2.95 A)
 &rst
  ixpk= 336, nxpk= 15, iat= 193, 191, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   11 LYS  HA           12 THR  HN          2.80    (#    337:15  Preassigned    2.21, 2.31 A)
 &rst
  ixpk= 337, nxpk= 15, iat= 171, 191, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   12 THR  HB           12 THR  HN          3.50    (#    338:15  Preassigned    2.70, 2.87 A)
 &rst
  ixpk= 338, nxpk= 15, iat= 195, 191, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   11 LYS  HB+          12 THR  HN          4.50    (#    339:15  Preassigned    3.01, 3.68 A)
 &rst
  ixpk= 339, nxpk= 15, iat=  -1, 191, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 173, 174,
 &end
#
#   11 LYS  HB-          12 THR  HN          4.50    (#    340:15  Unique         3.01, 3.68 A)
 &rst
  ixpk= 340, nxpk= 15, iat=  -1, 191, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 173, 174,
 &end
#
#   11 LYS  HG+          12 THR  HN          3.50    (#    341:15  Preassigned    2.29, 3.58 A)
 &rst
  ixpk= 341, nxpk= 15, iat=  -1, 191, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 176, 177,
 &end
#
#   11 LYS  HG-          12 THR  HN          3.50    (#    342:15  Preassigned    2.29, 3.58 A)
 &rst
  ixpk= 342, nxpk= 15, iat=  -1, 191, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 176, 177,
 &end
#
#   12 THR  QG2          12 THR  HN          4.50    (#    343:15  Preassigned    4.45, 4.74 A)
 &rst
  ixpk= 343, nxpk= 15, iat=  -1, 191, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 197, 198, 199,
 &end
#
#   45 PHE  HN           48 LYS  HN          3.50    (#    344:15  Preassigned    2.76, 2.87 A)
 &rst
  ixpk= 344, nxpk= 15, iat= 719, 756, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   47 GLY  HN           48 LYS  HN          3.50    (#    345:15  Preassigned    2.57, 2.63 A)
 &rst
  ixpk= 345, nxpk= 15, iat= 749, 756, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   44 ILE  HA           48 LYS  HN          4.50    (#    346:15  Preassigned    4.55, 4.63 A)
 &rst
  ixpk= 346, nxpk= 15, iat= 702, 756, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   48 LYS  HA           48 LYS  HN          3.50    (#    347:15  Preassigned    2.92, 2.94 A)
 &rst
  ixpk= 347, nxpk= 15, iat= 758, 756, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:348     48 LYS  HN          2.80    (#    348:15  Single Ambig)
 &rst
  ixpk= 348, nxpk= 15, iat=  -1, 756, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 760, 761, 760, 761,
 &end
#
#    0 AMB  15-3:349     48 LYS  HN          3.50    (#    349:15  Single Ambig)
 &rst
  ixpk= 349, nxpk= 15, iat=  -1, 756, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 763, 764, 763, 764,
 &end
#
#   30 ILE  HN           29 LYS  HN          3.50    (#    350:15  Preassigned    2.74, 2.76 A)
 &rst
  ixpk= 350, nxpk= 15, iat= 472, 450, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:351     29 LYS  HN          3.50    (#    351:15  Single Ambig)
 &rst
  ixpk= 351, nxpk= 15, iat=  -1, 450, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 452, 442,
 &end
#
#   26 VAL  HA           29 LYS  HN          4.50    (#    352:15  Preassigned    3.55, 3.56 A)
 &rst
  ixpk= 352, nxpk= 15, iat= 404, 450, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:353     29 LYS  HN          4.50    (#    353:15  Single Ambig)
 &rst
  ixpk= 353, nxpk= 15, iat=  -1, 450, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 476, 406, 380, 381,
 &end
#
#   29 LYS  HB+          29 LYS  HN          3.50    (#    354:15  Preassigned    2.73, 3.16 A)
 &rst
  ixpk= 354, nxpk= 15, iat=  -1, 450, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 454, 455,
 &end
#
#   29 LYS  HB-          29 LYS  HN          3.50    (#    355:15  Preassigned    2.73, 3.16 A)
 &rst
  ixpk= 355, nxpk= 15, iat=  -1, 450, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 454, 455,
 &end
#
#   29 LYS  HG-          29 LYS  HN          2.80    (#    356:15  Preassigned    1.92, 2.35 A)
 &rst
  ixpk= 356, nxpk= 15, iat=  -1, 450, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 457, 458,
 &end
#
#    0 AMB  15-3:357     29 LYS  HN          2.80    (#    357:15  Single Ambig)
 &rst
  ixpk= 357, nxpk= 15, iat=  -1, 450, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr1= 457, 458, 444, 445, 446,
 &end
#
#    0 AMB  15-3:358     29 LYS  HN          3.50    (#    358:15  Single Ambig)
 &rst
  ixpk= 358, nxpk= 15, iat=  -1, 450, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 460, 461, 422, 423,
 &end
#
#    0 AMB  15-3:359     29 LYS  HN          3.50    (#    359:15  Single Ambig)
 &rst
  ixpk= 359, nxpk= 15, iat=  -1, 450, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 482, 483, 247, 248, 249, 251, 252, 253, 247, 248,
       249, 251, 252, 253, 408, 409, 410, 412, 413, 414,
      
 &end
#
#    0 AMB  15-3:360     29 LYS  HN          4.50    (#    360:15  Single Ambig)
 &rst
  ixpk= 360, nxpk= 15, iat=  -1, 450, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 491, 418,
 &end
#
#   51 GLU  HA           52 ASP  HN          2.80    (#    361:15  Preassigned    2.19, 2.20 A)
 &rst
  ixpk= 361, nxpk= 15, iat= 816, 829, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  15-3:362     52 ASP  HN          4.50    (#    362:15  Single Ambig)
 &rst
  ixpk= 362, nxpk= 15, iat=  -1, 829, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 843, 844, 797,
 &end
#
#   52 ASP  HB-          52 ASP  HN          2.80    (#    363:15  Preassigned    2.09, 2.90 A)
 &rst
  ixpk= 363, nxpk= 15, iat=  -1, 829, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 833, 834,
 &end
#
#   51 GLU  HG-          52 ASP  HN          3.50    (#    364:15  Preassigned    3.67, 4.08 A)
 &rst
  ixpk= 364, nxpk= 15, iat=  -1, 829, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 821, 822,
 &end
#
#   51 GLU  HB+          52 ASP  HN          3.50    (#    365:15  Unique         2.96, 3.68 A)
 &rst
  ixpk= 365, nxpk= 15, iat=  -1, 829, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 818, 819,
 &end
#
#    0 AMB  15-3:366     52 ASP  HN          5.50    (#    366:15  Single Ambig)
 &rst
  ixpk= 366, nxpk= 15, iat=  -1, 829, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 377, 378, 377, 378, 852, 853,
 &end
#
#   54 ARG  HG+          52 ASP  HN          5.50    (#    367:15  Preassigned    5.96, 6.53 A)
 &rst
  ixpk= 367, nxpk= 15, iat=  -1, 829, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 855, 856,
 &end
#
#    0 AMB  15-3:368     52 ASP  HN          5.50    (#    368:15  Single Ambig)
 &rst
  ixpk= 368, nxpk= 15, iat=  -1, 829, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 428, 429, 425, 426,1158,1159,1158,1159,
 &end
#
#   23 ILE  QG2          52 ASP  HN          4.50    (#    369:15  Preassigned    3.34, 4.48 A)
 &rst
  ixpk= 369, nxpk= 15, iat=  -1, 829, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 360, 361, 362,
 &end
#
#   54 ARG  HN           52 ASP  HN          5.50    (#    370:15  Preassigned    4.23, 4.25 A)
 &rst
  ixpk= 370, nxpk= 15, iat= 848, 829, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   64 GLU  HN           63 LYS  HN          4.50    (#    371:15  Preassigned    4.35, 4.39 A)
 &rst
  ixpk= 371, nxpk= 15, iat=1021, 999, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   62 GLN  HN           63 LYS  HN          4.50    (#    372:15  Preassigned    3.72, 3.77 A)
 &rst
  ixpk= 372, nxpk= 15, iat= 982, 999, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   62 GLN  HA           63 LYS  HN          2.80    (#    373:15  Preassigned    2.29, 2.31 A)
 &rst
  ixpk= 373, nxpk= 15, iat= 984, 999, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   63 LYS  HA           63 LYS  HN          3.50    (#    374:15  Preassigned    2.27, 2.27 A)
 &rst
  ixpk= 374, nxpk= 15, iat=1001, 999, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:375     63 LYS  HN          4.50    (#    375:15  Single Ambig)
 &rst
  ixpk= 375, nxpk= 15, iat=  -1, 999, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 989, 990,1028,1029,1028,1029,
 &end
#
#   63 LYS  HB-          63 LYS  HN          7.00    (#    376:15  Preassigned    2.98, 3.81 A)
 &rst
  ixpk= 376, nxpk= 15, iat=  -1, 999, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1003,1004,
 &end
#
#    0 AMB  15-3:377     63 LYS  HN          2.80    (#    377:15  Single Ambig)
 &rst
  ixpk= 377, nxpk= 15, iat=  -1, 999, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1003,1004, 986, 987, 986, 987,
 &end
#
#   63 LYS  HD+          63 LYS  HN          3.50    (#    378:15  Preassigned    3.84, 4.16 A)
 &rst
  ixpk= 378, nxpk= 15, iat=  -1, 999, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1009,1010,
 &end
#
#    1 MET  QE           63 LYS  HN          3.50    (#    379:15  Unique         1.91, 2.74 A)
 &rst
  ixpk= 379, nxpk= 15, iat=  -1, 999, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  15,  16,  17,
 &end
#
#    0 AMB  15-3:380     63 LYS  HN          3.50    (#    380:15  Single Ambig)
 &rst
  ixpk= 380, nxpk= 15, iat=  -1, 999, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1006,1007,1006,1007,
 &end
#
#   34 GLU  HN           36 ILE  HN          4.50    (#    381:15  Preassigned    3.63, 3.65 A)
 &rst
  ixpk= 381, nxpk= 15, iat= 542, 564, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   35 GLY  HN           36 ILE  HN          3.50    (#    382:15  Preassigned    2.14, 2.22 A)
 &rst
  ixpk= 382, nxpk= 15, iat= 557, 564, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:383     36 ILE  HN          4.50    (#    383:15  Single Ambig)
 &rst
  ixpk= 383, nxpk= 15, iat=  -1, 564, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 544, 593,
 &end
#
#   36 ILE  HA           36 ILE  HN          3.50    (#    384:15  Preassigned    2.94, 2.94 A)
 &rst
  ixpk= 384, nxpk= 15, iat= 566, 564, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   35 GLY  HA-          36 ILE  HN          3.50    (#    385:15  Preassigned    3.15, 3.27 A)
 &rst
  ixpk= 385, nxpk= 15, iat=  -1, 564, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 559, 560,
 &end
#
#   31 GLN  HA           36 ILE  HN          2.80    (#    386:15  Preassigned    2.00, 2.03 A)
 &rst
  ixpk= 386, nxpk= 15, iat= 493, 564, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  15-3:387     36 ILE  HN          3.50    (#    387:15  Single Ambig)
 &rst
  ixpk= 387, nxpk= 15, iat=  -1, 564, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 546, 547, 498, 499,
 &end
#
#    0 AMB  15-3:388     36 ILE  HN          3.50    (#    388:15  Single Ambig)
 &rst
  ixpk= 388, nxpk= 15, iat=  -1, 564, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 498, 499, 495, 496,
 &end
#
#   34 GLU  HB-          36 ILE  HN          3.50    (#    389:15  Preassigned    2.67, 3.14 A)
 &rst
  ixpk= 389, nxpk= 15, iat=  -1, 564, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 546, 547,
 &end
#
#    0 AMB  15-3:390     36 ILE  HN          2.80    (#    390:15  Single Ambig)
 &rst
  ixpk= 390, nxpk= 15, iat=  -1, 564, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 574, 575, 568,
 &end
#
#   36 ILE  HG1+         36 ILE  HN          3.50    (#    391:15  Preassigned    2.49, 3.17 A)
 &rst
  ixpk= 391, nxpk= 15, iat=  -1, 564, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 574, 575,
 &end
#
#   36 ILE  QG2          36 ILE  HN          4.50    (#    392:15  Preassigned    4.39, 4.63 A)
 &rst
  ixpk= 392, nxpk= 15, iat=  -1, 564, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 570, 571, 572,
 &end
#
#   36 ILE  QD1          36 ILE  HN          3.50    (#    393:15  Preassigned    4.01, 4.62 A)
 &rst
  ixpk= 393, nxpk= 15, iat=  -1, 564, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 577, 578, 579,
 &end
#
#   34 GLU  HN           32 ASP  HN          4.50    (#    394:15  Preassigned    3.75, 3.77 A)
 &rst
  ixpk= 394, nxpk= 15, iat= 542, 508, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   31 GLN  HN           32 ASP  HN          3.50    (#    395:15  Preassigned    2.57, 2.59 A)
 &rst
  ixpk= 395, nxpk= 15, iat= 491, 508, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   30 ILE  HN           32 ASP  HN          4.50    (#    396:15  Preassigned    4.17, 4.18 A)
 &rst
  ixpk= 396, nxpk= 15, iat= 472, 508, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   33 LYS  HN           32 ASP  HN          3.50    (#    397:15  Preassigned    2.35, 2.35 A)
 &rst
  ixpk= 397, nxpk= 15, iat= 520, 508, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:398     32 ASP  HN          7.00    (#    398:15  Single Ambig)
 &rst
  ixpk= 398, nxpk= 15, iat=  -1, 508, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 593, 420,
 &end
#
#   32 ASP  HA           32 ASP  HN          2.80    (#    399:15  Preassigned    2.89, 2.89 A)
 &rst
  ixpk= 399, nxpk= 15, iat= 510, 508, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  15-3:400     32 ASP  HN          3.50    (#    400:15  Single Ambig)
 &rst
  ixpk= 400, nxpk= 15, iat=  -1, 508, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 452, 442,
 &end
#
#   31 GLN  HA           32 ASP  HN          3.50    (#    401:15  Preassigned    3.50, 3.50 A)
 &rst
  ixpk= 401, nxpk= 15, iat= 493, 508, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   32 ASP  HB+          32 ASP  HN          2.80    (#    402:15  Preassigned    2.14, 2.68 A)
 &rst
  ixpk= 402, nxpk= 15, iat=  -1, 508, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 512, 513,
 &end
#
#   31 GLN  HB+          32 ASP  HN          3.50    (#    403:15  Preassigned    2.78, 3.39 A)
 &rst
  ixpk= 403, nxpk= 15, iat=  -1, 508, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 495, 496,
 &end
#
#   31 GLN  HG-          32 ASP  HN          4.50    (#    404:15  Preassigned    4.16, 4.67 A)
 &rst
  ixpk= 404, nxpk= 15, iat=  -1, 508, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 498, 499,
 &end
#
#   31 GLN  HB-          32 ASP  HN          3.50    (#    405:15  Preassigned    2.78, 3.39 A)
 &rst
  ixpk= 405, nxpk= 15, iat=  -1, 508, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 495, 496,
 &end
#
#    0 AMB  15-3:406     32 ASP  HN          3.50    (#    406:15  Single Ambig)
 &rst
  ixpk= 406, nxpk= 15, iat=  -1, 508, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 527, 528, 527, 528, 444, 445, 446,
 &end
#
#    0 AMB  15-3:407     32 ASP  HN          4.50    (#    407:15  Single Ambig)
 &rst
  ixpk= 407, nxpk= 15, iat=  -1, 508, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 478, 479, 480, 482, 483, 218, 219, 220,
 &end
#
#    7 THR  HN            8 LEU  HN          4.50    (#    408:15  Preassigned    4.58, 4.60 A)
 &rst
  ixpk= 408, nxpk= 15, iat= 115, 129, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    9 THR  HN            8 LEU  HN          3.50    (#    409:15  Preassigned    2.70, 2.76 A)
 &rst
  ixpk= 409, nxpk= 15, iat= 148, 129, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    7 THR  HA            8 LEU  HN          2.80    (#    410:15  Preassigned    2.29, 2.36 A)
 &rst
  ixpk= 410, nxpk= 15, iat= 117, 129, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    8 LEU  HA            8 LEU  HN          3.50    (#    411:15  Preassigned    2.78, 2.82 A)
 &rst
  ixpk= 411, nxpk= 15, iat= 131, 129, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    8 LEU  HG            8 LEU  HN          3.50    (#    412:15  Preassigned    2.75, 2.90 A)
 &rst
  ixpk= 412, nxpk= 15, iat= 136, 129, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:413      8 LEU  HN          2.80    (#    413:15  Single Ambig)
 &rst
  ixpk= 413, nxpk= 15, iat=  -1, 129, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 133, 134, 133, 134,
 &end
#
#   69 LEU  HB-           8 LEU  HN          4.50    (#    414:15  Unique         3.00, 4.17 A)
 &rst
  ixpk= 414, nxpk= 15, iat=  -1, 129, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1101,1102,
 &end
#
#    7 THR  QG2           8 LEU  HN          3.50    (#    415:15  Unique         3.92, 4.51 A)
 &rst
  ixpk= 415, nxpk= 15, iat=  -1, 129, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 121, 122, 123,
 &end
#
#   70 VAL  QG-           8 LEU  HN          4.50    (#    416:15  Preassigned    4.12, 6.48 A)
 &rst
  ixpk= 416, nxpk= 15, iat=  -1, 129, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1122,1123,1124,1126,1127,1128,
 &end
#
#   69 LEU  QD-           8 LEU  HN          3.50    (#    417:15  Preassigned    2.25, 4.58 A)
 &rst
  ixpk= 417, nxpk= 15, iat=  -1, 129, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1106,1107,1108,1110,1111,1112,
 &end
#
#   61 ILE  HG1-         61 ILE  HN          3.50    (#    418:15  Preassigned    2.21, 3.22 A)
 &rst
  ixpk= 418, nxpk= 15, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 973, 974,
 &end
#
#   60 ASN  HN           61 ILE  HN          3.50    (#    419:15  Preassigned    2.49, 2.53 A)
 &rst
  ixpk= 419, nxpk= 15, iat= 949, 963, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:420     61 ILE  HN          4.50    (#    420:15  Single Ambig)
 &rst
  ixpk= 420, nxpk= 15, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 958, 959, 982,
 &end
#
#   60 ASN  HA           61 ILE  HN          3.50    (#    421:15  Preassigned    2.86, 3.04 A)
 &rst
  ixpk= 421, nxpk= 15, iat= 951, 963, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   57 SER  HA           61 ILE  HN          3.50    (#    422:15  Preassigned    2.44, 2.85 A)
 &rst
  ixpk= 422, nxpk= 15, iat= 907, 963, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   56 LEU  HA           61 ILE  HN          4.50    (#    423:15  Preassigned    4.28, 4.38 A)
 &rst
  ixpk= 423, nxpk= 15, iat= 888, 963, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   59 TYR  HB-          61 ILE  HN          4.50    (#    424:15  Preassigned    2.96, 3.88 A)
 &rst
  ixpk= 424, nxpk= 15, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 932, 933,
 &end
#
#   61 ILE  HA           61 ILE  HN          3.50    (#    425:15  Preassigned    2.80, 2.90 A)
 &rst
  ixpk= 425, nxpk= 15, iat= 965, 963, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   60 ASN  HB-          61 ILE  HN          4.50    (#    426:15  Preassigned    3.77, 4.15 A)
 &rst
  ixpk= 426, nxpk= 15, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 953, 954,
 &end
#
#   59 TYR  HB+          61 ILE  HN          4.50    (#    427:15  Preassigned    2.96, 3.88 A)
 &rst
  ixpk= 427, nxpk= 15, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 932, 933,
 &end
#
#   61 ILE  HB           61 ILE  HN          2.80    (#    428:15  Preassigned    2.45, 2.48 A)
 &rst
  ixpk= 428, nxpk= 15, iat= 967, 963, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   61 ILE  HG1+         61 ILE  HN          3.50    (#    429:15  Preassigned    2.21, 3.22 A)
 &rst
  ixpk= 429, nxpk= 15, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 973, 974,
 &end
#
#    0 AMB  15-3:430     61 ILE  HN          4.50    (#    430:15  Single Ambig)
 &rst
  ixpk= 430, nxpk= 15, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 895, 896, 897, 899, 900, 901,1070,1071,1072,1074,
      1075,1076, 367, 368, 369,  44,  45,  46,
 &end
#
#    0 AMB  15-3:431     61 ILE  HN          3.50    (#    431:15  Single Ambig)
 &rst
  ixpk= 431, nxpk= 15, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 976, 977, 978, 969, 970, 971,
 &end
#
#   55 THR  HN           54 ARG  HN          4.50    (#    433:15  Preassigned    4.47, 4.51 A)
 &rst
  ixpk= 433, nxpk= 15, iat= 872, 848, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   23 ILE  HN           54 ARG  HN          4.50    (#    434:15  Preassigned    3.65, 3.84 A)
 &rst
  ixpk= 434, nxpk= 15, iat= 354, 848, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   59 TYR  HE1          54 ARG  HN          4.50    (#    435:15  Preassigned    3.94, 3.99 A)
 &rst
  ixpk= 435, nxpk= 15, iat= 938, 848, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   54 ARG  HA           54 ARG  HN          3.50    (#    436:15  Preassigned    2.91, 2.91 A)
 &rst
  ixpk= 436, nxpk= 15, iat= 850, 848, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   52 ASP  HA           54 ARG  HN          4.50    (#    437:15  Preassigned    3.67, 3.91 A)
 &rst
  ixpk= 437, nxpk= 15, iat= 831, 848, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 GLY  HA-          54 ARG  HN          3.50    (#    438:15  Preassigned    3.04, 3.25 A)
 &rst
  ixpk= 438, nxpk= 15, iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 843, 844,
 &end
#
#   54 ARG  HD-          54 ARG  HN          4.50    (#    439:15  Preassigned    3.19, 4.91 A)
 &rst
  ixpk= 439, nxpk= 15, iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 858, 859,
 &end
#
#   23 ILE  HB           54 ARG  HN          4.50    (#    440:15  Unique         3.41, 3.52 A)
 &rst
  ixpk= 440, nxpk= 15, iat= 358, 848, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   54 ARG  HB+          54 ARG  HN          2.80    (#    441:15  Unique         2.34, 2.99 A)
 &rst
  ixpk= 441, nxpk= 15, iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 852, 853,
 &end
#
#   54 ARG  HB-          54 ARG  HN          3.50    (#    442:15  Preassigned    2.34, 2.99 A)
 &rst
  ixpk= 442, nxpk= 15, iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 852, 853,
 &end
#
#   54 ARG  HG+          54 ARG  HN          3.50    (#    443:15  Preassigned    2.96, 3.27 A)
 &rst
  ixpk= 443, nxpk= 15, iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 855, 856,
 &end
#
#   54 ARG  HG-          54 ARG  HN          3.50    (#    444:15  Preassigned    2.96, 3.27 A)
 &rst
  ixpk= 444, nxpk= 15, iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 855, 856,
 &end
#
#   23 ILE  HG1-         54 ARG  HN          4.50    (#    445:15  Preassigned    2.90, 3.66 A)
 &rst
  ixpk= 445, nxpk= 15, iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 364, 365,
 &end
#
#   21 ASP  HN           18 GLU  HN          4.50    (#    446:15  Preassigned    4.01, 4.05 A)
 &rst
  ixpk= 446, nxpk= 15, iat= 328, 288, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   18 GLU  HA           18 GLU  HN          3.50    (#    447:15  Preassigned    2.95, 2.95 A)
 &rst
  ixpk= 447, nxpk= 15, iat= 290, 288, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   17 VAL  HA           18 GLU  HN          2.80    (#    448:15  Preassigned    2.73, 2.74 A)
 &rst
  ixpk= 448, nxpk= 15, iat= 274, 288, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   21 ASP  HB-          18 GLU  HN          4.50    (#    449:15  Unique         2.55, 3.37 A)
 &rst
  ixpk= 449, nxpk= 15, iat=  -1, 288, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 332, 333,
 &end
#
#   21 ASP  HB+          18 GLU  HN          4.50    (#    450:15  Preassigned    2.55, 3.37 A)
 &rst
  ixpk= 450, nxpk= 15, iat=  -1, 288, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 332, 333,
 &end
#
#   17 VAL  HB           18 GLU  HN          2.80    (#    451:15  Preassigned    1.73, 1.75 A)
 &rst
  ixpk= 451, nxpk= 15, iat= 276, 288, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   18 GLU  HB+          18 GLU  HN          3.50    (#    452:15  Preassigned    2.41, 3.40 A)
 &rst
  ixpk= 452, nxpk= 15, iat=  -1, 288, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 292, 293,
 &end
#
#   18 GLU  HB-          18 GLU  HN          3.50    (#    453:15  Preassigned    2.41, 3.40 A)
 &rst
  ixpk= 453, nxpk= 15, iat=  -1, 288, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 292, 293,
 &end
#
#    0 AMB  15-3:454     18 GLU  HN          2.80    (#    454:15  Single Ambig)
 &rst
  ixpk= 454, nxpk= 15, iat=  -1, 288, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 278, 279, 280, 282, 283, 284, 895, 896, 897, 899,
       900, 901,
 &end
#
#   17 VAL  QG+          18 GLU  HN          3.50    (#    455:15  Preassigned    2.90, 3.91 A)
 &rst
  ixpk= 455, nxpk= 15, iat=  -1, 288, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 278, 279, 280, 282, 283, 284,
 &end
#
#   26 VAL  HN           27 LYS  HN          3.50    (#    456:15  Preassigned    2.70, 2.72 A)
 &rst
  ixpk= 456, nxpk= 15, iat= 402, 418, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:457     27 LYS  HN          3.50    (#    457:15  Single Ambig)
 &rst
  ixpk= 457, nxpk= 15, iat=  -1, 418, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 440, 388,
 &end
#
#   27 LYS  HA           27 LYS  HN          3.50    (#    458:15  Preassigned    2.76, 2.77 A)
 &rst
  ixpk= 458, nxpk= 15, iat= 420, 418, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   24 GLU  HA           27 LYS  HN          4.50    (#    459:15  Preassigned    3.66, 3.70 A)
 &rst
  ixpk= 459, nxpk= 15, iat= 375, 418, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   23 ILE  HA           27 LYS  HN          4.50    (#    460:15  Preassigned    3.86, 3.90 A)
 &rst
  ixpk= 460, nxpk= 15, iat= 356, 418, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   26 VAL  HA           27 LYS  HN          4.50    (#    461:15  Preassigned    3.54, 3.55 A)
 &rst
  ixpk= 461, nxpk= 15, iat= 404, 418, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   27 LYS  HE+          27 LYS  HN          4.50    (#    462:15  Preassigned    4.17, 4.93 A)
 &rst
  ixpk= 462, nxpk= 15, iat=  -1, 418, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 431, 432,
 &end
#
#   26 VAL  HB           27 LYS  HN          3.50    (#    463:15  Preassigned    2.43, 2.52 A)
 &rst
  ixpk= 463, nxpk= 15, iat= 406, 418, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   27 LYS  HB-          27 LYS  HN          3.50    (#    464:15  Preassigned    2.07, 3.07 A)
 &rst
  ixpk= 464, nxpk= 15, iat=  -1, 418, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 422, 423,
 &end
#
#   27 LYS  HG+          27 LYS  HN          2.80    (#    465:15  Preassigned    2.28, 2.63 A)
 &rst
  ixpk= 465, nxpk= 15, iat=  -1, 418, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 425, 426,
 &end
#
#    0 AMB  15-3:466     27 LYS  HN          3.50    (#    466:15  Single Ambig)
 &rst
  ixpk= 466, nxpk= 15, iat=  -1, 418, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 422, 423, 425, 426,
 &end
#
#   26 VAL  QG+          27 LYS  HN          3.50    (#    467:15  Preassigned    3.35, 4.44 A)
 &rst
  ixpk= 467, nxpk= 15, iat=  -1, 418, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 408, 409, 410, 412, 413, 414,
 &end
#
#   26 VAL  QG-          27 LYS  HN          2.80    (#    468:15  Preassigned    3.35, 4.44 A)
 &rst
  ixpk= 468, nxpk= 15, iat=  -1, 418, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 408, 409, 410, 412, 413, 414,
 &end
#
#    0 AMB  15-3:469      4 PHE  HN          3.50    (#    469:15  Single Ambig)
 &rst
  ixpk= 469, nxpk= 15, iat=  -1,  57, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1061,  77,
 &end
#
#    3 ILE  HN            4 PHE  HN          4.50    (#    470:15  Preassigned    4.38, 4.41 A)
 &rst
  ixpk= 470, nxpk= 15, iat=  38,  57, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:471      4 PHE  HN          4.50    (#    471:15  Single Ambig)
 &rst
  ixpk= 471, nxpk= 15, iat=  -1,  57, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  67,  71,  69,
 &end
#
#    4 PHE  HD1           4 PHE  HN          3.50    (#    472:15  Preassigned    3.23, 3.30 A)
 &rst
  ixpk= 472, nxpk= 15, iat=  65,  57, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    4 PHE  HA            4 PHE  HN          4.50    (#    473:15  Preassigned    2.92, 2.93 A)
 &rst
  ixpk= 473, nxpk= 15, iat=  59,  57, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   66 THR  HA            4 PHE  HN          3.50    (#    474:15  Preassigned    2.89, 2.97 A)
 &rst
  ixpk= 474, nxpk= 15, iat=1049,  57, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    3 ILE  HA            4 PHE  HN          2.80    (#    475:15  Preassigned    2.23, 2.26 A)
 &rst
  ixpk= 475, nxpk= 15, iat=  40,  57, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   64 GLU  HA            4 PHE  HN          4.50    (#    476:15  Preassigned    4.05, 4.15 A)
 &rst
  ixpk= 476, nxpk= 15, iat=1023,  57, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    4 PHE  HB-           4 PHE  HN          3.50    (#    477:15  Preassigned    2.81, 3.26 A)
 &rst
  ixpk= 477, nxpk= 15, iat=  -1,  57, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  61,  62,
 &end
#
#    4 PHE  HB+           4 PHE  HN          3.50    (#    478:15  Preassigned    2.81, 3.26 A)
 &rst
  ixpk= 478, nxpk= 15, iat=  -1,  57, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  61,  62,
 &end
#
#    3 ILE  HB            4 PHE  HN          2.80    (#    479:15  Preassigned    2.73, 2.86 A)
 &rst
  ixpk= 479, nxpk= 15, iat=  42,  57, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    3 ILE  HG1+          4 PHE  HN          4.50    (#    480:15  Preassigned    4.58, 4.96 A)
 &rst
  ixpk= 480, nxpk= 15, iat=  -1,  57, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  48,  49,
 &end
#
#   66 THR  QG2           4 PHE  HN          4.50    (#    481:15  Preassigned    5.12, 5.91 A)
 &rst
  ixpk= 481, nxpk= 15, iat=  -1,  57, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1053,1054,1055,
 &end
#
#    0 AMB  15-3:482      4 PHE  HN          3.50    (#    482:15  Single Ambig)
 &rst
  ixpk= 482, nxpk= 15, iat=  -1,  57, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  44,  45,  46,  51,  52,  53,
 &end
#
#    0 AMB  15-3:483     68 HIS  HN          5.50    (#    483:15  Single Ambig)
 &rst
  ixpk= 483, nxpk= 15, iat=  -1,1080, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 719, 739,
 &end
#
#    0 AMB  15-3:484     68 HIS  HN          3.50    (#    484:15  Single Ambig)
 &rst
  ixpk= 484, nxpk= 15, iat=  -1,1080, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1082, 721,
 &end
#
#   67 LEU  HA           68 HIS  HN          2.80    (#    485:15  Preassigned    2.40, 2.47 A)
 &rst
  ixpk= 485, nxpk= 15, iat=1063,1080, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   68 HIS  HB+          68 HIS  HN          3.50    (#    486:15  Preassigned    2.41, 2.93 A)
 &rst
  ixpk= 486, nxpk= 15, iat=  -1,1080, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1084,1085,
 &end
#
#   68 HIS  HB-          68 HIS  HN          3.50    (#    487:15  Preassigned    2.41, 2.93 A)
 &rst
  ixpk= 487, nxpk= 15, iat=  -1,1080, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1084,1085,
 &end
#
#    0 AMB  15-3:488     68 HIS  HN          2.80    (#    488:15  Single Ambig)
 &rst
  ixpk= 488, nxpk= 15, iat=  -1,1080, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1065,1066, 704,
 &end
#
#   67 LEU  HB-          68 HIS  HN          3.50    (#    489:15  Preassigned    2.67, 3.38 A)
 &rst
  ixpk= 489, nxpk= 15, iat=  -1,1080, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1065,1066,
 &end
#
#    0 AMB  15-3:490     68 HIS  HN          2.80    (#    490:15  Single Ambig)
 &rst
  ixpk= 490, nxpk= 15, iat=  -1,1080, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1=1070,1071,1072,1074,1075,1076,  83,  84,  85,  87,
        88,  89, 706, 707, 708,
 &end
#
#   57 SER  HN           56 LEU  HN          3.50    (#    491:15  Preassigned    2.94, 2.96 A)
 &rst
  ixpk= 491, nxpk= 15, iat= 905, 886, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   55 THR  HA           56 LEU  HN          3.50    (#    492:15  Preassigned    2.36, 2.37 A)
 &rst
  ixpk= 492, nxpk= 15, iat= 874, 886, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   22 THR  HA           56 LEU  HN          4.50    (#    493:15  Preassigned    3.68, 3.74 A)
 &rst
  ixpk= 493, nxpk= 15, iat= 342, 886, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:494     56 LEU  HN          5.50    (#    494:15  Single Ambig)
 &rst
  ixpk= 494, nxpk= 15, iat=  -1, 886, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 330, 850,
 &end
#
#   55 THR  HB           56 LEU  HN          3.50    (#    495:15  Preassigned    2.41, 2.48 A)
 &rst
  ixpk= 495, nxpk= 15, iat= 876, 886, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   20 SER  HA           56 LEU  HN          4.50    (#    496:15  Preassigned    4.51, 4.55 A)
 &rst
  ixpk= 496, nxpk= 15, iat= 319, 886, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   56 LEU  HA           56 LEU  HN          3.50    (#    497:15  Unique         2.74, 2.74 A)
 &rst
  ixpk= 497, nxpk= 15, iat= 888, 886, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   56 LEU  HB+          56 LEU  HN          3.50    (#    498:15  Preassigned    2.42, 3.07 A)
 &rst
  ixpk= 498, nxpk= 15, iat=  -1, 886, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 890, 891,
 &end
#
#   56 LEU  HG           56 LEU  HN          3.50    (#    499:15  Preassigned    2.25, 2.29 A)
 &rst
  ixpk= 499, nxpk= 15, iat= 893, 886, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   55 THR  QG2          56 LEU  HN          3.50    (#    500:15  Preassigned    3.60, 4.30 A)
 &rst
  ixpk= 500, nxpk= 15, iat=  -1, 886, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 878, 879, 880,
 &end
#
#   56 LEU  QD-          56 LEU  HN          3.50    (#    501:15  Preassigned    2.83, 4.14 A)
 &rst
  ixpk= 501, nxpk= 15, iat=  -1, 886, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 895, 896, 897, 899, 900, 901,
 &end
#
#    0 AMB  15-3:502     56 LEU  HN          3.50    (#    502:15  Single Ambig)
 &rst
  ixpk= 502, nxpk= 15, iat=  -1, 886, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 895, 896, 897, 899, 900, 901, 367, 368, 369,
 &end
#
#    0 AMB  15-3:503     56 LEU  HN          4.50    (#    503:15  Single Ambig)
 &rst
  ixpk= 503, nxpk= 15, iat=  -1, 886, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 976, 977, 978, 969, 970, 971,
 &end
#
#    0 AMB  15-3:504     41 GLN  HN          4.50    (#    504:15  Single Ambig)
 &rst
  ixpk= 504, nxpk= 15, iat=  -1, 640, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1151, 611,
 &end
#
#   42 ARG  HN           41 GLN  HN          4.50    (#    505:15  Preassigned    3.96, 3.98 A)
 &rst
  ixpk= 505, nxpk= 15, iat= 657, 640, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   40 GLN  HN           41 GLN  HN          2.80    (#    506:15  Preassigned    2.09, 2.13 A)
 &rst
  ixpk= 506, nxpk= 15, iat= 623, 640, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  15-3:507     41 GLN  HN          3.50    (#    507:15  Single Ambig)
 &rst
  ixpk= 507, nxpk= 15, iat=  -1, 640, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 625, 613,
 &end
#
#    0 AMB  15-3:508     41 GLN  HN          3.50    (#    508:15  Single Ambig)
 &rst
  ixpk= 508, nxpk= 15, iat=  -1, 640, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 642, 607,
 &end
#
#   41 GLN  HG+          41 GLN  HN          4.50    (#    509:15  Preassigned    4.35, 4.60 A)
 &rst
  ixpk= 509, nxpk= 15, iat=  -1, 640, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 647, 648,
 &end
#
#    0 AMB  15-3:510     41 GLN  HN          4.50    (#    510:15  Single Ambig)
 &rst
  ixpk= 510, nxpk= 15, iat=  -1, 640, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 590, 591, 422, 423, 495, 496,
 &end
#
#    0 AMB  15-3:511     41 GLN  HN          3.50    (#    511:15  Single Ambig)
 &rst
  ixpk= 511, nxpk= 15, iat=  -1, 640, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1155,1156,1158,1159,
 &end
#
#    3 ILE  HN           17 VAL  HN          4.50    (#    513:15  Preassigned    3.97, 4.04 A)
 &rst
  ixpk= 513, nxpk= 15, iat=  38, 272, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   16 GLU  HN           17 VAL  HN          4.50    (#    514:15  Preassigned    4.40, 4.45 A)
 &rst
  ixpk= 514, nxpk= 15, iat= 257, 272, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    2 GLN  HA           17 VAL  HN          4.50    (#    515:15  Preassigned    2.07, 2.16 A)
 &rst
  ixpk= 515, nxpk= 15, iat=  23, 272, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   16 GLU  HA           17 VAL  HN          2.80    (#    516:15  Preassigned    2.14, 2.14 A)
 &rst
  ixpk= 516, nxpk= 15, iat= 259, 272, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   17 VAL  HA           17 VAL  HN          3.50    (#    517:15  Preassigned    2.90, 2.91 A)
 &rst
  ixpk= 517, nxpk= 15, iat= 274, 272, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   16 GLU  HG-          17 VAL  HN          3.50    (#    518:15  Unique         3.70, 4.31 A)
 &rst
  ixpk= 518, nxpk= 15, iat=  -1, 272, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 264, 265,
 &end
#
#    0 AMB  15-3:519     17 VAL  HN          3.50    (#    519:15  Single Ambig)
 &rst
  ixpk= 519, nxpk= 15, iat=  -1, 272, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 264, 265,   8,   9,
 &end
#
#    0 AMB  15-3:521     17 VAL  HN          4.50    (#    521:15  Single Ambig)
 &rst
  ixpk= 521, nxpk= 15, iat=  -1, 272, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=  25,  26,  15,  16,  17,
 &end
#
#    0 AMB  15-3:522     17 VAL  HN          4.50    (#    522:15  Single Ambig)
 &rst
  ixpk= 522, nxpk= 15, iat=  -1, 272, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  44,  45,  46,  51,  52,  53,
 &end
#
#   17 VAL  QG-          17 VAL  HN          3.50    (#    523:15  Preassigned    2.41, 3.76 A)
 &rst
  ixpk= 523, nxpk= 15, iat=  -1, 272, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 278, 279, 280, 282, 283, 284,
 &end
#
#   17 VAL  QG+          17 VAL  HN          2.80    (#    524:15  Preassigned    2.41, 3.76 A)
 &rst
  ixpk= 524, nxpk= 15, iat=  -1, 272, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 278, 279, 280, 282, 283, 284,
 &end
#
#   67 LEU  HN           66 THR  HN          4.50    (#    525:15  Preassigned    3.90, 4.12 A)
 &rst
  ixpk= 525, nxpk= 15, iat=1061,1047, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   65 SER  HN           66 THR  HN          4.50    (#    526:15  Preassigned    4.41, 4.46 A)
 &rst
  ixpk= 526, nxpk= 15, iat=1036,1047, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   45 PHE  HE1          66 THR  HN          3.50    (#    527:15  Preassigned    2.04, 2.79 A)
 &rst
  ixpk= 527, nxpk= 15, iat= 729,1047, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   66 THR  HA           66 THR  HN          3.50    (#    528:15  Preassigned    2.90, 2.92 A)
 &rst
  ixpk= 528, nxpk= 15, iat=1049,1047, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   65 SER  HA           66 THR  HN          2.80    (#    530:15  Preassigned    2.15, 2.30 A)
 &rst
  ixpk= 530, nxpk= 15, iat=1038,1047, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   66 THR  HB           66 THR  HN          2.80    (#    531:15  Preassigned    2.45, 2.58 A)
 &rst
  ixpk= 531, nxpk= 15, iat=1051,1047, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   65 SER  HB-          66 THR  HN          3.50    (#    532:15  Preassigned    2.54, 3.65 A)
 &rst
  ixpk= 532, nxpk= 15, iat=  -1,1047, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1040,1041,
 &end
#
#   66 THR  QG2          66 THR  HN          4.50    (#    533:15  Preassigned    4.33, 4.61 A)
 &rst
  ixpk= 533, nxpk= 15, iat=  -1,1047, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1053,1054,1055,
 &end
#
#    0 AMB  15-3:534     66 THR  HN          4.50    (#    534:15  Single Ambig)
 &rst
  ixpk= 534, nxpk= 15, iat=  -1,1047, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1070,1071,1072,1074,1075,1076,1070,1071,1072,1074,
      1075,1076,
 &end
#
#    0 AMB  15-3:535     66 THR  HN          4.50    (#    535:15  Single Ambig)
 &rst
  ixpk= 535, nxpk= 15, iat=  -1,1047, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 969, 970, 971, 976, 977, 978,
 &end
#
#   65 SER  HB+          66 THR  HN          3.50    (#    536:15  Preassigned    2.54, 3.65 A)
 &rst
  ixpk= 536, nxpk= 15, iat=  -1,1047, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1040,1041,
 &end
#
#   39 ASP  HN           40 GLN  HN          3.50    (#    537:15  Preassigned    2.63, 2.64 A)
 &rst
  ixpk= 537, nxpk= 15, iat= 611, 623, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   41 GLN  HN           40 GLN  HN          2.80    (#    538:15  Preassigned    2.09, 2.13 A)
 &rst
  ixpk= 538, nxpk= 15, iat= 640, 623, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  15-3:539     40 GLN  HN          3.50    (#    539:15  Single Ambig)
 &rst
  ixpk= 539, nxpk= 15, iat=  -1, 623, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 625, 613,
 &end
#
#    0 AMB  15-3:540     40 GLN  HN          4.50    (#    540:15  Single Ambig)
 &rst
  ixpk= 540, nxpk= 15, iat=  -1, 623, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 607, 642,
 &end
#
#   39 ASP  HB-          40 GLN  HN          4.50    (#    541:15  Preassigned    3.09, 3.68 A)
 &rst
  ixpk= 541, nxpk= 15, iat=  -1, 623, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 615, 616,
 &end
#
#    0 AMB  15-3:542     40 GLN  HN          2.80    (#    542:15  Single Ambig)
 &rst
  ixpk= 542, nxpk= 15, iat=  -1, 623, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 590, 591, 630, 631, 630, 631,
 &end
#
#   37 PRO  HB-          40 GLN  HN          3.50    (#    543:15  Preassigned    3.10, 3.95 A)
 &rst
  ixpk= 543, nxpk= 15, iat=  -1, 623, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 590, 591,
 &end
#
#   40 GLN  HB-          40 GLN  HN          3.50    (#    544:15  Preassigned    2.61, 2.97 A)
 &rst
  ixpk= 544, nxpk= 15, iat=  -1, 623, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 627, 628,
 &end
#
#    0 AMB  15-3:545     40 GLN  HN          4.50    (#    545:15  Single Ambig)
 &rst
  ixpk= 545, nxpk= 15, iat=  -1, 623, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1155,1156, 601, 602,1158,1159,1158,1159,1201,1202,
      1201,1202,
 &end
#
#   36 ILE  QG2          40 GLN  HN          4.50    (#    546:15  Preassigned    4.18, 5.00 A)
 &rst
  ixpk= 546, nxpk= 15, iat=  -1, 623, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 570, 571, 572,
 &end
#
#   58 ASP  HN           60 ASN  HN          4.50    (#    547:15  Preassigned    4.21, 4.25 A)
 &rst
  ixpk= 547, nxpk= 15, iat= 916, 949, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   59 TYR  HN           60 ASN  HN          2.80    (#    548:15  Preassigned    2.27, 2.30 A)
 &rst
  ixpk= 548, nxpk= 15, iat= 928, 949, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   59 TYR  HA           60 ASN  HN          4.50    (#    549:15  Preassigned    3.05, 3.06 A)
 &rst
  ixpk= 549, nxpk= 15, iat= 930, 949, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   57 SER  HA           60 ASN  HN          3.50    (#    550:15  Preassigned    3.47, 3.49 A)
 &rst
  ixpk= 550, nxpk= 15, iat= 907, 949, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   60 ASN  HA           60 ASN  HN          2.80    (#    551:15  Preassigned    2.28, 2.28 A)
 &rst
  ixpk= 551, nxpk= 15, iat= 951, 949, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   59 TYR  HB-          60 ASN  HN          4.50    (#    552:15  Preassigned    3.91, 4.15 A)
 &rst
  ixpk= 552, nxpk= 15, iat=  -1, 949, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 932, 933,
 &end
#
#   60 ASN  HB+          60 ASN  HN          3.50    (#    553:15  Preassigned    3.21, 3.65 A)
 &rst
  ixpk= 553, nxpk= 15, iat=  -1, 949, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 953, 954,
 &end
#
#   60 ASN  HB-          60 ASN  HN          3.50    (#    554:15  Preassigned    3.21, 3.65 A)
 &rst
  ixpk= 554, nxpk= 15, iat=  -1, 949, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 953, 954,
 &end
#
#   59 TYR  HB+          60 ASN  HN          4.50    (#    555:15  Preassigned    3.91, 4.15 A)
 &rst
  ixpk= 555, nxpk= 15, iat=  -1, 949, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 932, 933,
 &end
#
#    0 AMB  15-3:556     60 ASN  HN          4.50    (#    556:15  Single Ambig)
 &rst
  ixpk= 556, nxpk= 15, iat=  -1, 949, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 976, 977, 978, 969, 970, 971,
 &end
#
#   60 ASN  HN           59 TYR  HN          3.50    (#    557:15  Preassigned    2.27, 2.30 A)
 &rst
  ixpk= 557, nxpk= 15, iat= 949, 928, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   58 ASP  HN           59 TYR  HN          3.50    (#    558:15  Preassigned    2.58, 2.59 A)
 &rst
  ixpk= 558, nxpk= 15, iat= 916, 928, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:559     59 TYR  HN          4.50    (#    559:15  Single Ambig)
 &rst
  ixpk= 559, nxpk= 15, iat=  -1, 928, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 958, 959, 994, 995, 938,
 &end
#
#   59 TYR  HA           59 TYR  HN          3.50    (#    560:15  Preassigned    2.95, 2.95 A)
 &rst
  ixpk= 560, nxpk= 15, iat= 930, 928, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:561     59 TYR  HN          3.50    (#    561:15  Single Ambig)
 &rst
  ixpk= 561, nxpk= 15, iat=  -1, 928, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 918, 907,
 &end
#
#   56 LEU  HA           59 TYR  HN          4.50    (#    562:15  Preassigned    3.73, 3.79 A)
 &rst
  ixpk= 562, nxpk= 15, iat= 888, 928, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   59 TYR  HB-          59 TYR  HN          3.50    (#    563:15  Preassigned    2.53, 3.15 A)
 &rst
  ixpk= 563, nxpk= 15, iat=  -1, 928, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 932, 933,
 &end
#
#   58 ASP  HB+          59 TYR  HN          4.50    (#    564:15  Preassigned    3.35, 3.73 A)
 &rst
  ixpk= 564, nxpk= 15, iat=  -1, 928, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 920, 921,
 &end
#
#   59 TYR  HB+          59 TYR  HN          3.50    (#    565:15  Preassigned    2.53, 3.15 A)
 &rst
  ixpk= 565, nxpk= 15, iat=  -1, 928, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 932, 933,
 &end
#
#   58 ASP  HB-          59 TYR  HN          4.50    (#    566:15  Preassigned    3.35, 3.73 A)
 &rst
  ixpk= 566, nxpk= 15, iat=  -1, 928, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 920, 921,
 &end
#
#   61 ILE  HG1+         59 TYR  HN          4.50    (#    567:15  Preassigned    3.99, 4.88 A)
 &rst
  ixpk= 567, nxpk= 15, iat=  -1, 928, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 973, 974,
 &end
#
#   61 ILE  QD1          59 TYR  HN          4.50    (#    568:15  Preassigned    3.46, 4.55 A)
 &rst
  ixpk= 568, nxpk= 15, iat=  -1, 928, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 976, 977, 978,
 &end
#
#   34 GLU  HN           33 LYS  HN          2.80    (#    569:15  Preassigned    2.02, 2.03 A)
 &rst
  ixpk= 569, nxpk= 15, iat= 542, 520, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  15-3:570     33 LYS  HN          3.50    (#    570:15  Single Ambig)
 &rst
  ixpk= 570, nxpk= 15, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 557, 491,
 &end
#
#   32 ASP  HN           33 LYS  HN          3.50    (#    571:15  Preassigned    2.35, 2.35 A)
 &rst
  ixpk= 571, nxpk= 15, iat= 508, 520, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   34 GLU  HA           33 LYS  HN          5.50    (#    572:15  Preassigned    4.77, 4.78 A)
 &rst
  ixpk= 572, nxpk= 15, iat= 544, 520, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:573     33 LYS  HN          2.80    (#    573:15  Single Ambig)
 &rst
  ixpk= 573, nxpk= 15, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 522, 510,
 &end
#
#   31 GLN  HA           33 LYS  HN          4.50    (#    574:15  Preassigned    3.95, 3.97 A)
 &rst
  ixpk= 574, nxpk= 15, iat= 493, 520, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 ILE  HA           33 LYS  HN          4.50    (#    575:15  Preassigned    3.21, 3.24 A)
 &rst
  ixpk= 575, nxpk= 15, iat= 474, 520, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   32 ASP  HB-          33 LYS  HN          3.50    (#    576:15  Preassigned    3.41, 3.56 A)
 &rst
  ixpk= 576, nxpk= 15, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 512, 513,
 &end
#
#    0 AMB  15-3:577     33 LYS  HN          4.50    (#    577:15  Single Ambig)
 &rst
  ixpk= 577, nxpk= 15, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 546, 547, 498, 499,
 &end
#
#   33 LYS  HB+          33 LYS  HN          3.50    (#    578:15  Preassigned    2.59, 3.17 A)
 &rst
  ixpk= 578, nxpk= 15, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 524, 525,
 &end
#
#   33 LYS  HB-          33 LYS  HN          2.80    (#    579:15  Preassigned    2.59, 3.17 A)
 &rst
  ixpk= 579, nxpk= 15, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 524, 525,
 &end
#
#    0 AMB  15-3:580     33 LYS  HN          3.50    (#    580:15  Single Ambig)
 &rst
  ixpk= 580, nxpk= 15, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 527, 528, 527, 528,
 &end
#
#   30 ILE  QD1          33 LYS  HN          4.50    (#    581:15  Preassigned    5.05, 5.81 A)
 &rst
  ixpk= 581, nxpk= 15, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 485, 486, 487,
 &end
#
#    0 AMB  15-3:582     33 LYS  HN          3.50    (#    582:15  Single Ambig)
 &rst
  ixpk= 582, nxpk= 15, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 478, 479, 480, 218, 219, 220,
 &end
#
#   63 LYS  HN           64 GLU  HN          4.50    (#    583:15  Preassigned    4.35, 4.39 A)
 &rst
  ixpk= 583, nxpk= 15, iat= 999,1021, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   65 SER  HN           64 GLU  HN          3.50    (#    584:15  Preassigned    3.07, 3.13 A)
 &rst
  ixpk= 584, nxpk= 15, iat=1036,1021, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:585     64 GLU  HN          4.50    (#    585:15  Single Ambig)
 &rst
  ixpk= 585, nxpk= 15, iat=  -1,1021, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  69,  71,  67,
 &end
#
#    3 ILE  HA           64 GLU  HN          4.50    (#    586:15  Preassigned    3.67, 3.76 A)
 &rst
  ixpk= 586, nxpk= 15, iat=  40,1021, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   63 LYS  HA           64 GLU  HN          2.80    (#    587:15  Preassigned    2.31, 2.34 A)
 &rst
  ixpk= 587, nxpk= 15, iat=1001,1021, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   64 GLU  HA           64 GLU  HN          3.50    (#    588:15  Preassigned    2.29, 2.31 A)
 &rst
  ixpk= 588, nxpk= 15, iat=1023,1021, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:589     64 GLU  HN          4.50    (#    589:15  Single Ambig)
 &rst
  ixpk= 589, nxpk= 15, iat=  -1,1021, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  11,  12,1025,1026,
 &end
#
#   64 GLU  HB-          64 GLU  HN          4.50    (#    590:15  Preassigned    3.39, 3.68 A)
 &rst
  ixpk= 590, nxpk= 15, iat=  -1,1021, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1025,1026,
 &end
#
#    0 AMB  15-3:591     64 GLU  HN          3.50    (#    591:15  Single Ambig)
 &rst
  ixpk= 591, nxpk= 15, iat=  -1,1021, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1028,1029,1028,1029,
 &end
#
#    0 AMB  15-3:592     64 GLU  HN          4.50    (#    592:15  Single Ambig)
 &rst
  ixpk= 592, nxpk= 15, iat=  -1,1021, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1003,1004,   8,   9,
 &end
#
#    0 AMB  15-3:593     64 GLU  HN          3.50    (#    593:15  Single Ambig)
 &rst
  ixpk= 593, nxpk= 15, iat=  -1,1021, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1003,1004,  28,  29,
 &end
#
#    0 AMB  15-3:594     64 GLU  HN          5.50    (#    594:15  Single Ambig)
 &rst
  ixpk= 594, nxpk= 15, iat=  -1,1021, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1009,1010,  42,
 &end
#
#    0 AMB  15-3:595     64 GLU  HN          4.50    (#    595:15  Single Ambig)
 &rst
  ixpk= 595, nxpk= 15, iat=  -1,1021, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1006,1007,1006,1007,
 &end
#
#    3 ILE  QG2          64 GLU  HN          3.50    (#    596:15  Preassigned    3.68, 4.75 A)
 &rst
  ixpk= 596, nxpk= 15, iat=  -1,1021, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  44,  45,  46,
 &end
#
#   74 ARG  HA           76 GLY  HN          4.50    (#    598:15  Preassigned    3.10, 3.80 A)
 &rst
  ixpk= 598, nxpk= 15, iat=1196,1225, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   75 GLY  HA-          76 GLY  HN          3.50    (#    599:15  Preassigned    2.67, 3.21 A)
 &rst
  ixpk= 599, nxpk= 15, iat=  -1,1225, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1220,1221,
 &end
#
#    0 AMB  15-3:600     76 GLY  HN          2.80    (#    600:15  Single Ambig)
 &rst
  ixpk= 600, nxpk= 15, iat=  -1,1225, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1227,1228,1227,1228,1220,1221,
 &end
#
#    0 AMB  15-3:601     76 GLY  HN          4.50    (#    601:15  Single Ambig)
 &rst
  ixpk= 601, nxpk= 15, iat=  -1,1225, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1201,1202,1201,1202,
 &end
#
#   64 GLU  HN           65 SER  HN          3.50    (#    602:15  Preassigned    3.07, 3.13 A)
 &rst
  ixpk= 602, nxpk= 15, iat=1021,1036, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   66 THR  HN           65 SER  HN          4.50    (#    603:15  Preassigned    4.41, 4.46 A)
 &rst
  ixpk= 603, nxpk= 15, iat=1047,1036, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   65 SER  HG           65 SER  HN          4.50    (#    604:15  Unique         3.91, 4.14 A)
 &rst
  ixpk= 604, nxpk= 15, iat=1043,1036, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   65 SER  HA           65 SER  HN          3.50    (#    605:15  Preassigned    2.94, 2.94 A)
 &rst
  ixpk= 605, nxpk= 15, iat=1038,1036, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    3 ILE  HA           65 SER  HN          4.50    (#    606:15  Preassigned    2.07, 2.11 A)
 &rst
  ixpk= 606, nxpk= 15, iat=  40,1036, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   65 SER  HB+          65 SER  HN          3.50    (#    607:15  Preassigned    2.32, 2.83 A)
 &rst
  ixpk= 607, nxpk= 15, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1040,1041,
 &end
#
#   65 SER  HB-          65 SER  HN          3.50    (#    608:15  Preassigned    2.32, 2.83 A)
 &rst
  ixpk= 608, nxpk= 15, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1040,1041,
 &end
#
#   64 GLU  HA           65 SER  HN          3.50    (#    609:15  Preassigned    2.57, 2.59 A)
 &rst
  ixpk= 609, nxpk= 15, iat=1023,1036, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:610     65 SER  HN          4.50    (#    610:15  Single Ambig)
 &rst
  ixpk= 610, nxpk= 15, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  28,  29,1028,1029,1028,1029,
 &end
#
#    0 AMB  15-3:611     65 SER  HN          4.50    (#    611:15  Single Ambig)
 &rst
  ixpk= 611, nxpk= 15, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  28,  29,1003,1004,  25,  26,
 &end
#
#    3 ILE  QG2          65 SER  HN          3.50    (#    612:15  Preassigned    1.86, 2.89 A)
 &rst
  ixpk= 612, nxpk= 15, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  44,  45,  46,
 &end
#
#   61 ILE  QG2          65 SER  HN          4.50    (#    613:15  Preassigned    4.05, 4.53 A)
 &rst
  ixpk= 613, nxpk= 15, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 969, 970, 971,
 &end
#
#    0 AMB  15-3:614      3 ILE  HN          4.50    (#    614:15  Single Ambig)
 &rst
  ixpk= 614, nxpk= 15, iat=  -1,  38, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 272,  21,
 &end
#
#   15 LEU  HN            3 ILE  HN          3.50    (#    615:15  Preassigned    2.53, 2.60 A)
 &rst
  ixpk= 615, nxpk= 15, iat= 238,  38, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    2 GLN  HA            3 ILE  HN          2.80    (#    616:15  Preassigned    2.35, 2.39 A)
 &rst
  ixpk= 616, nxpk= 15, iat=  23,  38, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   16 GLU  HA            3 ILE  HN          3.50    (#    617:15  Preassigned    3.58, 3.59 A)
 &rst
  ixpk= 617, nxpk= 15, iat= 259,  38, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    3 ILE  HA            3 ILE  HN          3.50    (#    618:15  Preassigned    2.93, 2.94 A)
 &rst
  ixpk= 618, nxpk= 15, iat=  40,  38, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    2 GLN  HG+           3 ILE  HN          4.50    (#    619:15  Preassigned    2.90, 3.56 A)
 &rst
  ixpk= 619, nxpk= 15, iat=  -1,  38, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  28,  29,
 &end
#
#    0 AMB  15-3:620      3 ILE  HN          3.50    (#    620:15  Single Ambig)
 &rst
  ixpk= 620, nxpk= 15, iat=  -1,  38, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  25,  26,  28,  29,
 &end
#
#    2 GLN  HB+           3 ILE  HN          3.50    (#    621:15  Preassigned    2.55, 3.31 A)
 &rst
  ixpk= 621, nxpk= 15, iat=  -1,  38, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  25,  26,
 &end
#
#   15 LEU  HB-           3 ILE  HN          4.50    (#    622:15  Preassigned    4.88, 5.09 A)
 &rst
  ixpk= 622, nxpk= 15, iat=  -1,  38, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 242, 243,
 &end
#
#   14 THR  QG2           3 ILE  HN          4.50    (#    623:15  Preassigned    3.16, 3.73 A)
 &rst
  ixpk= 623, nxpk= 15, iat=  -1,  38, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 230, 231, 232,
 &end
#
#    3 ILE  HG1+          3 ILE  HN          3.50    (#    624:15  Preassigned    1.88, 2.46 A)
 &rst
  ixpk= 624, nxpk= 15, iat=  -1,  38, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  48,  49,
 &end
#
#    3 ILE  HG1-          3 ILE  HN          3.50    (#    625:15  Preassigned    1.88, 2.46 A)
 &rst
  ixpk= 625, nxpk= 15, iat=  -1,  38, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  48,  49,
 &end
#
#    3 ILE  QG2           3 ILE  HN          3.50    (#    626:15  Preassigned    3.83, 4.36 A)
 &rst
  ixpk= 626, nxpk= 15, iat=  -1,  38, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  44,  45,  46,
 &end
#
#   17 VAL  QG+           3 ILE  HN          4.50    (#    627:15  Preassigned    3.57, 5.31 A)
 &rst
  ixpk= 627, nxpk= 15, iat=  -1,  38, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 278, 279, 280, 282, 283, 284,
 &end
#
#    0 AMB  15-3:628      7 THR  HN          4.50    (#    628:15  Single Ambig)
 &rst
  ixpk= 628, nxpk= 15, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  93, 129,
 &end
#
#   11 LYS  HN            7 THR  HN          4.50    (#    629:15  Preassigned    2.97, 3.07 A)
 &rst
  ixpk= 629, nxpk= 15, iat= 169, 115, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    7 THR  HA            7 THR  HN          3.50    (#    630:15  Preassigned    2.86, 2.88 A)
 &rst
  ixpk= 630, nxpk= 15, iat= 117, 115, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    6 LYS  HA            7 THR  HN          2.80    (#    631:15  Preassigned    2.14, 2.15 A)
 &rst
  ixpk= 631, nxpk= 15, iat=  95, 115, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   12 THR  HA            7 THR  HN          4.50    (#    632:15  Preassigned    3.32, 3.43 A)
 &rst
  ixpk= 632, nxpk= 15, iat= 193, 115, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    7 THR  HB            7 THR  HN          4.50    (#    633:15  Preassigned    3.62, 3.63 A)
 &rst
  ixpk= 633, nxpk= 15, iat= 119, 115, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    6 LYS  HG+           7 THR  HN          4.50    (#    634:15  Preassigned    2.81, 3.33 A)
 &rst
  ixpk= 634, nxpk= 15, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 100, 101,
 &end
#
#    0 AMB  15-3:635      7 THR  HN          3.50    (#    635:15  Single Ambig)
 &rst
  ixpk= 635, nxpk= 15, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 179, 180, 179, 180,
 &end
#
#    0 AMB  15-3:636      7 THR  HN          3.50    (#    636:15  Single Ambig)
 &rst
  ixpk= 636, nxpk= 15, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 100, 101,  97,  98,
 &end
#
#    7 THR  QG2           7 THR  HN          3.50    (#    637:15  Preassigned    2.36, 3.32 A)
 &rst
  ixpk= 637, nxpk= 15, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 121, 122, 123,
 &end
#
#    0 AMB  15-3:638      7 THR  HN          4.50    (#    638:15  Single Ambig)
 &rst
  ixpk= 638, nxpk= 15, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=1101,1102, 197, 198, 199,
 &end
#
#    0 AMB  15-3:639      7 THR  HN          5.50    (#    639:15  Single Ambig)
 &rst
  ixpk= 639, nxpk= 15, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1106,1107,1108,1110,1111,1112,  83,  84,  85,  87,
        88,  89,  83,  84,  85,  87,  88,  89,
 &end
#
#   35 GLY  HN           34 GLU  HN          3.50    (#    640:15  Preassigned    1.89, 1.92 A)
 &rst
  ixpk= 640, nxpk= 15, iat= 557, 542, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   32 ASP  HN           34 GLU  HN          4.50    (#    641:15  Preassigned    3.75, 3.77 A)
 &rst
  ixpk= 641, nxpk= 15, iat= 508, 542, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   33 LYS  HN           34 GLU  HN          3.50    (#    642:15  Preassigned    2.02, 2.03 A)
 &rst
  ixpk= 642, nxpk= 15, iat= 520, 542, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   36 ILE  HN           34 GLU  HN          4.50    (#    643:15  Preassigned    3.63, 3.65 A)
 &rst
  ixpk= 643, nxpk= 15, iat= 564, 542, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   34 GLU  HA           34 GLU  HN          3.50    (#    644:15  Preassigned    2.95, 2.95 A)
 &rst
  ixpk= 644, nxpk= 15, iat= 544, 542, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:645     34 GLU  HN          3.50    (#    645:15  Single Ambig)
 &rst
  ixpk= 645, nxpk= 15, iat=  -1, 542, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 522, 510,
 &end
#
#   35 GLY  HA-          34 GLU  HN          4.50    (#    646:15  Preassigned    4.13, 4.36 A)
 &rst
  ixpk= 646, nxpk= 15, iat=  -1, 542, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 559, 560,
 &end
#
#   35 GLY  HA+          34 GLU  HN          4.50    (#    647:15  Preassigned    4.13, 4.36 A)
 &rst
  ixpk= 647, nxpk= 15, iat=  -1, 542, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 559, 560,
 &end
#
#   30 ILE  HA           34 GLU  HN          4.50    (#    648:15  Preassigned    3.75, 3.77 A)
 &rst
  ixpk= 648, nxpk= 15, iat= 474, 542, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   34 GLU  HB+          34 GLU  HN          3.50    (#    649:15  Preassigned    2.56, 3.17 A)
 &rst
  ixpk= 649, nxpk= 15, iat=  -1, 542, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 546, 547,
 &end
#
#   33 LYS  HB+          34 GLU  HN          3.50    (#    650:15  Unique         3.04, 3.63 A)
 &rst
  ixpk= 650, nxpk= 15, iat=  -1, 542, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 524, 525,
 &end
#
#   33 LYS  HB-          34 GLU  HN          3.50    (#    651:15  Preassigned    3.04, 3.63 A)
 &rst
  ixpk= 651, nxpk= 15, iat=  -1, 542, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 524, 525,
 &end
#
#   34 GLU  HB-          34 GLU  HN          3.50    (#    652:15  Preassigned    2.56, 3.17 A)
 &rst
  ixpk= 652, nxpk= 15, iat=  -1, 542, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 546, 547,
 &end
#
#    0 AMB  15-3:653     34 GLU  HN          5.50    (#    653:15  Single Ambig)
 &rst
  ixpk= 653, nxpk= 15, iat=  -1, 542, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 574, 575, 568,
 &end
#
#    0 AMB  15-3:654     34 GLU  HN          3.50    (#    654:15  Single Ambig)
 &rst
  ixpk= 654, nxpk= 15, iat=  -1, 542, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 478, 479, 480, 218, 219, 220,
 &end
#
#   40 GLN  HN           39 ASP  HN          3.50    (#    655:15  Preassigned    2.63, 2.64 A)
 &rst
  ixpk= 655, nxpk= 15, iat= 623, 611, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   41 GLN  HN           39 ASP  HN          4.50    (#    656:15  Preassigned    3.95, 3.98 A)
 &rst
  ixpk= 656, nxpk= 15, iat= 640, 611, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   37 PRO  HA           39 ASP  HN          4.50    (#    658:15  Preassigned    4.18, 4.23 A)
 &rst
  ixpk= 658, nxpk= 15, iat= 593, 611, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   39 ASP  HA           39 ASP  HN          3.50    (#    659:15  Preassigned    2.80, 2.81 A)
 &rst
  ixpk= 659, nxpk= 15, iat= 613, 611, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   38 PRO  HA           39 ASP  HN          4.50    (#    660:15  Preassigned    3.53, 3.54 A)
 &rst
  ixpk= 660, nxpk= 15, iat= 607, 611, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:661     39 ASP  HN          3.50    (#    661:15  Single Ambig)
 &rst
  ixpk= 661, nxpk= 15, iat=  -1, 611, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 598, 599, 598, 599,
 &end
#
#   39 ASP  HB+          39 ASP  HN          3.50    (#    662:15  Preassigned    2.10, 2.99 A)
 &rst
  ixpk= 662, nxpk= 15, iat=  -1, 611, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 615, 616,
 &end
#
#   39 ASP  HB-          39 ASP  HN          3.50    (#    663:15  Preassigned    2.10, 2.99 A)
 &rst
  ixpk= 663, nxpk= 15, iat=  -1, 611, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 615, 616,
 &end
#
#   37 PRO  HB+          39 ASP  HN          3.50    (#    664:15  Unique         2.68, 3.49 A)
 &rst
  ixpk= 664, nxpk= 15, iat=  -1, 611, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 590, 591,
 &end
#
#   38 PRO  HB+          39 ASP  HN          3.50    (#    665:15  Preassigned    3.20, 3.66 A)
 &rst
  ixpk= 665, nxpk= 15, iat=  -1, 611, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 604, 605,
 &end
#
#   38 PRO  HB-          39 ASP  HN          3.50    (#    666:15  Preassigned    3.20, 3.66 A)
 &rst
  ixpk= 666, nxpk= 15, iat=  -1, 611, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 604, 605,
 &end
#
#   38 PRO  HG-          39 ASP  HN          3.50    (#    667:15  Unique         2.22, 3.02 A)
 &rst
  ixpk= 667, nxpk= 15, iat=  -1, 611, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 601, 602,
 &end
#
#   56 LEU  HN           57 SER  HN          3.50    (#    668:15  Preassigned    2.94, 2.96 A)
 &rst
  ixpk= 668, nxpk= 15, iat= 886, 905, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   58 ASP  HN           57 SER  HN          3.50    (#    669:15  Preassigned    2.65, 2.66 A)
 &rst
  ixpk= 669, nxpk= 15, iat= 916, 905, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   59 TYR  HN           57 SER  HN          4.50    (#    670:15  Preassigned    4.09, 4.11 A)
 &rst
  ixpk= 670, nxpk= 15, iat= 928, 905, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   55 THR  HA           57 SER  HN          4.50    (#    671:15  Preassigned    4.57, 4.63 A)
 &rst
  ixpk= 671, nxpk= 15, iat= 874, 905, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   55 THR  HB           57 SER  HN          3.50    (#    673:15  Preassigned    2.94, 2.96 A)
 &rst
  ixpk= 673, nxpk= 15, iat= 876, 905, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   57 SER  HA           57 SER  HN          3.50    (#    674:15  Preassigned    2.79, 2.80 A)
 &rst
  ixpk= 674, nxpk= 15, iat= 907, 905, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:675     57 SER  HN          3.50    (#    675:15  Single Ambig)
 &rst
  ixpk= 675, nxpk= 15, iat=  -1, 905, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 313, 888,
 &end
#
#   57 SER  HB-          57 SER  HN          3.50    (#    676:15  Preassigned    2.17, 2.91 A)
 &rst
  ixpk= 676, nxpk= 15, iat=  -1, 905, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 909, 910,
 &end
#
#   19 PRO  HB+          57 SER  HN          4.50    (#    677:15  Preassigned    3.71, 4.18 A)
 &rst
  ixpk= 677, nxpk= 15, iat=  -1, 905, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 310, 311,
 &end
#
#   56 LEU  HB+          57 SER  HN          3.50    (#    678:15  Preassigned    2.29, 2.85 A)
 &rst
  ixpk= 678, nxpk= 15, iat=  -1, 905, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 890, 891,
 &end
#
#   56 LEU  HG           57 SER  HN          4.50    (#    679:15  Preassigned    4.19, 4.24 A)
 &rst
  ixpk= 679, nxpk= 15, iat= 893, 905, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   56 LEU  HB-          57 SER  HN          3.50    (#    680:15  Preassigned    2.29, 2.85 A)
 &rst
  ixpk= 680, nxpk= 15, iat=  -1, 905, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 890, 891,
 &end
#
#   56 LEU  QD-          57 SER  HN          4.50    (#    681:15  Preassigned    4.73, 5.48 A)
 &rst
  ixpk= 681, nxpk= 15, iat=  -1, 905, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 895, 896, 897, 899, 900, 901,
 &end
#
#    0 AMB  15-3:682     57 SER  HN          4.50    (#    682:15  Single Ambig)
 &rst
  ixpk= 682, nxpk= 15, iat=  -1, 905, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 895, 896, 897, 899, 900, 901, 367, 368, 369,
 &end
#
#    0 AMB  15-3:683     57 SER  HN          4.50    (#    683:15  Single Ambig)
 &rst
  ixpk= 683, nxpk= 15, iat=  -1, 905, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 976, 977, 978, 969, 970, 971,
 &end
#
#    5 VAL  HN           13 ILE  HN          3.50    (#    717:15  Preassigned    3.50, 3.52 A)
 &rst
  ixpk= 717, nxpk= 15, iat=  77, 205, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:718     13 ILE  HN          4.50    (#    718:15  Single Ambig)
 &rst
  ixpk= 718, nxpk= 15, iat=  -1, 205, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 115, 224,
 &end
#
#   12 THR  HN           13 ILE  HN          4.50    (#    719:15  Preassigned    4.00, 4.07 A)
 &rst
  ixpk= 719, nxpk= 15, iat= 191, 205, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    4 PHE  HA           13 ILE  HN          4.50    (#    720:15  Preassigned    4.50, 4.58 A)
 &rst
  ixpk= 720, nxpk= 15, iat=  59, 205, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    6 LYS  HA           13 ILE  HN          4.50    (#    721:15  Preassigned    2.92, 3.01 A)
 &rst
  ixpk= 721, nxpk= 15, iat=  95, 205, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 THR  HA           13 ILE  HN          2.80    (#    722:15  Preassigned    2.15, 2.16 A)
 &rst
  ixpk= 722, nxpk= 15, iat= 193, 205, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    5 VAL  HA           13 ILE  HN          5.50    (#    723:15  Preassigned    4.71, 4.74 A)
 &rst
  ixpk= 723, nxpk= 15, iat=  79, 205, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 ILE  HA           13 ILE  HN          3.50    (#    724:15  Preassigned    2.94, 2.94 A)
 &rst
  ixpk= 724, nxpk= 15, iat= 207, 205, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    5 VAL  HB           13 ILE  HN          4.50    (#    725:15  Preassigned    3.55, 3.60 A)
 &rst
  ixpk= 725, nxpk= 15, iat=  81, 205, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   13 ILE  HB           13 ILE  HN          3.50    (#    726:15  Preassigned    3.18, 3.21 A)
 &rst
  ixpk= 726, nxpk= 15, iat= 209, 205, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   13 ILE  HG1+         13 ILE  HN          4.50    (#    727:15  Preassigned    4.27, 4.56 A)
 &rst
  ixpk= 727, nxpk= 15, iat=  -1, 205, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 215, 216,
 &end
#
#    0 AMB  15-3:728     13 ILE  HN          3.50    (#    728:15  Single Ambig)
 &rst
  ixpk= 728, nxpk= 15, iat=  -1, 205, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 197, 198, 199, 215, 216,
 &end
#
#   13 ILE  QG2          13 ILE  HN          4.50    (#    729:15  Preassigned    1.92, 2.60 A)
 &rst
  ixpk= 729, nxpk= 15, iat=  -1, 205, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 211, 212, 213,
 &end
#
#    0 AMB  15-3:730     13 ILE  HN          3.50    (#    730:15  Single Ambig)
 &rst
  ixpk= 730, nxpk= 15, iat=  -1, 205, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 218, 219, 220,  83,  84,  85,  87,  88,  89,  83,
        84,  85,  87,  88,  89,
 &end
#
#   46 ALA  HN           47 GLY  HN          3.50    (#    731:15  Preassigned    2.85, 2.90 A)
 &rst
  ixpk= 731, nxpk= 15, iat= 739, 749, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   48 LYS  HN           47 GLY  HN          3.50    (#    732:15  Preassigned    2.57, 2.63 A)
 &rst
  ixpk= 732, nxpk= 15, iat= 756, 749, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   45 PHE  HA           47 GLY  HN          4.50    (#    733:15  Preassigned    3.98, 4.08 A)
 &rst
  ixpk= 733, nxpk= 15, iat= 721, 749, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   47 GLY  HA-          47 GLY  HN          2.80    (#    734:15  Preassigned    2.30, 2.59 A)
 &rst
  ixpk= 734, nxpk= 15, iat=  -1, 749, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 751, 752,
 &end
#
#   46 ALA  HA           47 GLY  HN          3.50    (#    735:15  Preassigned    2.67, 2.71 A)
 &rst
  ixpk= 735, nxpk= 15, iat= 741, 749, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   47 GLY  HA+          47 GLY  HN          2.80    (#    736:15  Preassigned    2.30, 2.59 A)
 &rst
  ixpk= 736, nxpk= 15, iat=  -1, 749, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 751, 752,
 &end
#
#    0 AMB  15-3:738     47 GLY  HN          4.50    (#    738:15  Single Ambig)
 &rst
  ixpk= 738, nxpk= 15, iat=  -1, 749, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 760, 761, 760, 761,
 &end
#
#   46 ALA  QB           47 GLY  HN          3.50    (#    739:15  Preassigned    4.31, 4.47 A)
 &rst
  ixpk= 739, nxpk= 15, iat=  -1, 749, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 743, 744, 745,
 &end
#
#   44 ILE  QG2          47 GLY  HN          3.50    (#    740:15  Preassigned    2.69, 3.18 A)
 &rst
  ixpk= 740, nxpk= 15, iat=  -1, 749, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 706, 707, 708,
 &end
#
#   21 ASP  HN           20 SER  HN          3.50    (#    741:15  Preassigned    2.17, 2.24 A)
 &rst
  ixpk= 741, nxpk= 15, iat= 328, 317, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   18 GLU  HA           20 SER  HN          4.50    (#    742:15  Preassigned    3.79, 3.84 A)
 &rst
  ixpk= 742, nxpk= 15, iat= 290, 317, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   20 SER  HA           20 SER  HN          3.50    (#    744:15  Preassigned    2.93, 2.94 A)
 &rst
  ixpk= 744, nxpk= 15, iat= 319, 317, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:745     20 SER  HN          3.50    (#    745:15  Single Ambig)
 &rst
  ixpk= 745, nxpk= 15, iat=  -1, 317, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 321, 322, 313,
 &end
#
#   19 PRO  HD+          20 SER  HN          3.50    (#    746:15  Preassigned    2.78, 3.39 A)
 &rst
  ixpk= 746, nxpk= 15, iat=  -1, 317, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 304, 305,
 &end
#
#    0 AMB  15-3:747     20 SER  HN          3.50    (#    747:15  Single Ambig)
 &rst
  ixpk= 747, nxpk= 15, iat=  -1, 317, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 304, 305, 321, 322,
 &end
#
#   19 PRO  HB+          20 SER  HN          4.50    (#    748:15  Preassigned    3.72, 4.10 A)
 &rst
  ixpk= 748, nxpk= 15, iat=  -1, 317, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 310, 311,
 &end
#
#   18 GLU  HB+          20 SER  HN          3.50    (#    749:15  Preassigned    2.16, 3.02 A)
 &rst
  ixpk= 749, nxpk= 15, iat=  -1, 317, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 292, 293,
 &end
#
#   19 PRO  HB-          20 SER  HN          3.50    (#    750:15  Preassigned    3.72, 4.10 A)
 &rst
  ixpk= 750, nxpk= 15, iat=  -1, 317, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 310, 311,
 &end
#
#   18 GLU  HB-          20 SER  HN          3.50    (#    751:15  Preassigned    2.16, 3.02 A)
 &rst
  ixpk= 751, nxpk= 15, iat=  -1, 317, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 292, 293,
 &end
#
#    8 LEU  HN            9 THR  HN          3.50    (#    752:15  Preassigned    2.70, 2.76 A)
 &rst
  ixpk= 752, nxpk= 15, iat= 129, 148, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   10 GLY  HN            9 THR  HN          2.80    (#    753:15  Preassigned    1.96, 2.23 A)
 &rst
  ixpk= 753, nxpk= 15, iat= 162, 148, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   11 LYS  HN            9 THR  HN          3.50    (#    754:15  Preassigned    3.14, 3.38 A)
 &rst
  ixpk= 754, nxpk= 15, iat= 169, 148, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    7 THR  HA            9 THR  HN          4.50    (#    755:15  Preassigned    3.82, 3.87 A)
 &rst
  ixpk= 755, nxpk= 15, iat= 117, 148, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    9 THR  HA            9 THR  HN          3.50    (#    756:15  Preassigned    2.86, 2.91 A)
 &rst
  ixpk= 756, nxpk= 15, iat= 150, 148, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    8 LEU  HA            9 THR  HN          4.50    (#    757:15  Preassigned    3.07, 3.25 A)
 &rst
  ixpk= 757, nxpk= 15, iat= 131, 148, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   10 GLY  HA+           9 THR  HN          4.50    (#    758:15  Preassigned    4.36, 4.79 A)
 &rst
  ixpk= 758, nxpk= 15, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 164, 165,
 &end
#
#    0 AMB  15-3:759      9 THR  HN          3.50    (#    759:15  Single Ambig)
 &rst
  ixpk= 759, nxpk= 15, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 133, 134, 133, 134,
 &end
#
#    9 THR  QG2           9 THR  HN          3.50    (#    760:15  Preassigned    3.99, 4.48 A)
 &rst
  ixpk= 760, nxpk= 15, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 154, 155, 156,
 &end
#
#   69 LEU  QD-           9 THR  HN          5.50    (#    761:15  Unique         4.18, 6.61 A)
 &rst
  ixpk= 761, nxpk= 15, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1106,1107,1108,1110,1111,1112,
 &end
#
#   47 GLY  HN           46 ALA  HN          3.50    (#    781:15  Preassigned    2.85, 2.90 A)
 &rst
  ixpk= 781, nxpk= 15, iat= 749, 739, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   45 PHE  HD1          46 ALA  HN          3.50    (#    782:15  Unique         3.17, 3.27 A)
 &rst
  ixpk= 782, nxpk= 15, iat= 727, 739, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   45 PHE  HA           46 ALA  HN          2.80    (#    783:15  Preassigned    2.14, 2.14 A)
 &rst
  ixpk= 783, nxpk= 15, iat= 721, 739, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   46 ALA  HA           46 ALA  HN          2.80    (#    784:15  Preassigned    2.28, 2.28 A)
 &rst
  ixpk= 784, nxpk= 15, iat= 741, 739, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   45 PHE  HB+          46 ALA  HN          4.50    (#    785:15  Preassigned    4.24, 4.33 A)
 &rst
  ixpk= 785, nxpk= 15, iat=  -1, 739, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 723, 724,
 &end
#
#   45 PHE  HB-          46 ALA  HN          5.50    (#    786:15  Preassigned    4.24, 4.33 A)
 &rst
  ixpk= 786, nxpk= 15, iat=  -1, 739, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 723, 724,
 &end
#
#   46 ALA  QB           46 ALA  HN          3.50    (#    787:15  Preassigned    3.12, 3.52 A)
 &rst
  ixpk= 787, nxpk= 15, iat=  -1, 739, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 743, 744, 745,
 &end
#
#   44 ILE  QG2          46 ALA  HN          4.50    (#    788:15  Preassigned    3.63, 4.55 A)
 &rst
  ixpk= 788, nxpk= 15, iat=  -1, 739, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 706, 707, 708,
 &end
#
#   58 ASP  HN           55 THR  HN          4.50    (#    789:15  Preassigned    3.46, 3.47 A)
 &rst
  ixpk= 789, nxpk= 15, iat= 916, 872, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   54 ARG  HN           55 THR  HN          4.50    (#    790:15  Preassigned    4.47, 4.51 A)
 &rst
  ixpk= 790, nxpk= 15, iat= 848, 872, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   55 THR  HA           55 THR  HN          4.50    (#    791:15  Preassigned    2.95, 2.95 A)
 &rst
  ixpk= 791, nxpk= 15, iat= 874, 872, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   22 THR  HA           55 THR  HN          4.50    (#    792:15  Preassigned    4.21, 4.23 A)
 &rst
  ixpk= 792, nxpk= 15, iat= 342, 872, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   54 ARG  HA           55 THR  HN          3.50    (#    793:15  Preassigned    2.54, 2.56 A)
 &rst
  ixpk= 793, nxpk= 15, iat= 850, 872, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   55 THR  HB           55 THR  HN          4.50    (#    794:15  Preassigned    3.72, 3.74 A)
 &rst
  ixpk= 794, nxpk= 15, iat= 876, 872, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   58 ASP  HB+          55 THR  HN          3.50    (#    795:15  Preassigned    1.96, 2.18 A)
 &rst
  ixpk= 795, nxpk= 15, iat=  -1, 872, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 920, 921,
 &end
#
#    0 AMB  15-3:796     55 THR  HN          3.50    (#    796:15  Single Ambig)
 &rst
  ixpk= 796, nxpk= 15, iat=  -1, 872, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 920, 921, 852, 853,
 &end
#
#   54 ARG  HB-          55 THR  HN          3.50    (#    797:15  Preassigned    2.05, 2.76 A)
 &rst
  ixpk= 797, nxpk= 15, iat=  -1, 872, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 852, 853,
 &end
#
#   54 ARG  HG+          55 THR  HN          4.50    (#    798:15  Preassigned    4.13, 4.48 A)
 &rst
  ixpk= 798, nxpk= 15, iat=  -1, 872, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 855, 856,
 &end
#
#   54 ARG  HG-          55 THR  HN          4.50    (#    799:15  Preassigned    4.13, 4.48 A)
 &rst
  ixpk= 799, nxpk= 15, iat=  -1, 872, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 855, 856,
 &end
#
#   55 THR  QG2          55 THR  HN          3.50    (#    800:15  Preassigned    3.28, 4.03 A)
 &rst
  ixpk= 800, nxpk= 15, iat=  -1, 872, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 878, 879, 880,
 &end
#
#   34 GLU  HN           35 GLY  HN          2.80    (#    801:15  Preassigned    1.89, 1.92 A)
 &rst
  ixpk= 801, nxpk= 15, iat= 542, 557, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   33 LYS  HN           35 GLY  HN          4.50    (#    802:15  Preassigned    3.36, 3.37 A)
 &rst
  ixpk= 802, nxpk= 15, iat= 520, 557, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   36 ILE  HN           35 GLY  HN          3.50    (#    803:15  Preassigned    2.14, 2.22 A)
 &rst
  ixpk= 803, nxpk= 15, iat= 564, 557, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   34 GLU  HA           35 GLY  HN          3.50    (#    804:15  Preassigned    3.50, 3.51 A)
 &rst
  ixpk= 804, nxpk= 15, iat= 544, 557, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:805     35 GLY  HN          4.50    (#    805:15  Single Ambig)
 &rst
  ixpk= 805, nxpk= 15, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 510, 522,
 &end
#
#   35 GLY  HA-          35 GLY  HN          2.80    (#    806:15  Preassigned    2.37, 2.66 A)
 &rst
  ixpk= 806, nxpk= 15, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 559, 560,
 &end
#
#   35 GLY  HA+          35 GLY  HN          2.80    (#    807:15  Preassigned    2.37, 2.66 A)
 &rst
  ixpk= 807, nxpk= 15, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 559, 560,
 &end
#
#    0 AMB  15-3:808     35 GLY  HN          3.50    (#    808:15  Single Ambig)
 &rst
  ixpk= 808, nxpk= 15, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 546, 547, 498, 499,
 &end
#
#    0 AMB  15-3:809     35 GLY  HN          4.50    (#    809:15  Single Ambig)
 &rst
  ixpk= 809, nxpk= 15, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 498, 499, 524, 525,
 &end
#
#   33 LYS  HB-          35 GLY  HN          5.50    (#    810:15  Preassigned    4.99, 5.51 A)
 &rst
  ixpk= 810, nxpk= 15, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 524, 525,
 &end
#
#   34 GLU  HB-          35 GLY  HN          3.50    (#    811:15  Preassigned    2.70, 3.28 A)
 &rst
  ixpk= 811, nxpk= 15, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 546, 547,
 &end
#
#    0 AMB  15-3:812     35 GLY  HN          4.50    (#    812:15  Single Ambig)
 &rst
  ixpk= 812, nxpk= 15, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 574, 575, 568,
 &end
#
#    9 THR  HN           10 GLY  HN          3.50    (#    813:15  Preassigned    1.96, 2.23 A)
 &rst
  ixpk= 813, nxpk= 15, iat= 148, 162, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   11 LYS  HN           10 GLY  HN          3.50    (#    814:15  Preassigned    2.00, 2.07 A)
 &rst
  ixpk= 814, nxpk= 15, iat= 169, 162, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    7 THR  HA           10 GLY  HN          5.50    (#    815:15  Preassigned    4.63, 4.77 A)
 &rst
  ixpk= 815, nxpk= 15, iat= 117, 162, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    9 THR  HA           10 GLY  HN          3.50    (#    816:15  Preassigned    3.37, 3.40 A)
 &rst
  ixpk= 816, nxpk= 15, iat= 150, 162, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   10 GLY  HA-          10 GLY  HN          3.50    (#    817:15  Preassigned    2.39, 2.68 A)
 &rst
  ixpk= 817, nxpk= 15, iat=  -1, 162, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 164, 165,
 &end
#
#    8 LEU  HA           10 GLY  HN          4.50    (#    818:15  Preassigned    3.60, 3.74 A)
 &rst
  ixpk= 818, nxpk= 15, iat= 131, 162, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   10 GLY  HA+          10 GLY  HN          2.80    (#    819:15  Preassigned    2.39, 2.68 A)
 &rst
  ixpk= 819, nxpk= 15, iat=  -1, 162, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 164, 165,
 &end
#
#    0 AMB  15-3:820     10 GLY  HN          4.50    (#    820:15  Single Ambig)
 &rst
  ixpk= 820, nxpk= 15, iat=  -1, 162, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 106, 107, 106, 107,
 &end
#
#    0 AMB  15-3:821     10 GLY  HN          4.50    (#    821:15  Single Ambig)
 &rst
  ixpk= 821, nxpk= 15, iat=  -1, 162, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 154, 155, 156, 176, 177,
 &end
#
#   55 THR  QG2          22 THR  HN          4.50    (#    823:15  Preassigned    2.88, 3.83 A)
 &rst
  ixpk= 823, nxpk= 15, iat=  -1, 340, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 878, 879, 880,
 &end
#
#   22 THR  QG2          22 THR  HN          3.50    (#    824:15  Preassigned    2.70, 3.57 A)
 &rst
  ixpk= 824, nxpk= 15, iat=  -1, 340, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 346, 347, 348,
 &end
#
#   21 ASP  HB+          22 THR  HN          3.50    (#    825:15  Preassigned    2.99, 3.80 A)
 &rst
  ixpk= 825, nxpk= 15, iat=  -1, 340, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 332, 333,
 &end
#
#   25 ASN  HB-          22 THR  HN          3.50    (#    826:15  Preassigned    3.55, 4.51 A)
 &rst
  ixpk= 826, nxpk= 15, iat=  -1, 340, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 392, 393,
 &end
#
#   25 ASN  HB+          22 THR  HN          3.50    (#    827:15  Preassigned    3.55, 4.51 A)
 &rst
  ixpk= 827, nxpk= 15, iat=  -1, 340, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 392, 393,
 &end
#
#   21 ASP  HA           22 THR  HN          2.80    (#    828:15  Preassigned    2.17, 2.18 A)
 &rst
  ixpk= 828, nxpk= 15, iat= 330, 340, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   22 THR  HB           22 THR  HN          4.50    (#    829:15  Preassigned    3.55, 3.56 A)
 &rst
  ixpk= 829, nxpk= 15, iat= 344, 340, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   22 THR  HA           22 THR  HN          3.50    (#    830:15  Preassigned    2.84, 2.86 A)
 &rst
  ixpk= 830, nxpk= 15, iat= 342, 340, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   21 ASP  HN           22 THR  HN          4.50    (#    831:15  Preassigned    4.55, 4.57 A)
 &rst
  ixpk= 831, nxpk= 15, iat= 328, 340, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   74 ARG  HA           75 GLY  HN          3.50    (#    854:15  Preassigned    2.15, 2.38 A)
 &rst
  ixpk= 854, nxpk= 15, iat=1196,1218, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   75 GLY  HA-          75 GLY  HN          3.50    (#    855:15  Preassigned    2.30, 2.71 A)
 &rst
  ixpk= 855, nxpk= 15, iat=  -1,1218, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1220,1221,
 &end
#
#    0 AMB  15-3:856     75 GLY  HN          4.50    (#    856:15  Single Ambig)
 &rst
  ixpk= 856, nxpk= 15, iat=  -1,1218, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1201,1202,1201,1202,
 &end
#
#    0 AMB  15-3:857     70 VAL  HN          3.50    (#    857:15  Single Ambig)
 &rst
  ixpk= 857, nxpk= 15, iat=  -1,1116, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1101,1102, 664, 665, 664, 665,
 &end
#
#   12 THR  HB           13 ILE  HN          4.50    (#    858:15  Preassigned    4.19, 4.26 A)
 &rst
  ixpk= 858, nxpk= 15, iat= 195, 205, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:859     13 ILE  HN          4.50    (#    859:15  Single Ambig)
 &rst
  ixpk= 859, nxpk= 15, iat=  -1, 205, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 100, 101,  97,  98,
 &end
#
#    0 AMB  15-3:860     13 ILE  HN          4.50    (#    860:15  Single Ambig)
 &rst
  ixpk= 860, nxpk= 15, iat=  -1, 205, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 176, 177, 121, 122, 123,
 &end
#
#   69 LEU  HN            6 LYS  HN          4.50    (#    861:15  Preassigned    4.09, 4.35 A)
 &rst
  ixpk= 861, nxpk= 15, iat=1097,  93, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    5 VAL  HB            6 LYS  HN          5.50    (#    862:15  Preassigned    4.30, 4.36 A)
 &rst
  ixpk= 862, nxpk= 15, iat=  81,  93, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   69 LEU  HB+          70 VAL  HN          4.50    (#    863:15  Preassigned    4.03, 4.24 A)
 &rst
  ixpk= 863, nxpk= 15, iat=  -1,1116, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1101,1102,
 &end
#
#   41 GLN  HA           70 VAL  HN          5.50    (#    864:15  Preassigned    4.50, 4.66 A)
 &rst
  ixpk= 864, nxpk= 15, iat= 642,1116, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   42 ARG  HA           70 VAL  HN          5.50    (#    865:15  Preassigned    4.96, 5.01 A)
 &rst
  ixpk= 865, nxpk= 15, iat= 659,1116, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   43 LEU  HN           70 VAL  HN          5.50    (#    866:15  Preassigned    4.83, 4.93 A)
 &rst
  ixpk= 866, nxpk= 15, iat= 681,1116, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:867     67 LEU  HN          5.50    (#    867:15  Single Ambig)
 &rst
  ixpk= 867, nxpk= 15, iat=  -1,1061, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  65,  73,
 &end
#
#    4 PHE  HA           67 LEU  HN          5.50    (#    868:15  Preassigned    4.52, 4.60 A)
 &rst
  ixpk= 868, nxpk= 15, iat=  59,1061, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   66 THR  HB           67 LEU  HN          4.50    (#    869:15  Preassigned    4.40, 4.43 A)
 &rst
  ixpk= 869, nxpk= 15, iat=1051,1061, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:870     67 LEU  HN          5.50    (#    870:15  Single Ambig)
 &rst
  ixpk= 870, nxpk= 15, iat=  -1,1061, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  97,  98, 100, 101,
 &end
#
#   17 VAL  QG+          15 LEU  HN          5.50    (#    871:15  Preassigned    4.55, 6.21 A)
 &rst
  ixpk= 871, nxpk= 15, iat=  -1, 238, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 278, 279, 280, 282, 283, 284,
 &end
#
#    2 GLN  HB+          15 LEU  HN          4.50    (#    872:15  Unique         3.63, 4.61 A)
 &rst
  ixpk= 872, nxpk= 15, iat=  -1, 238, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  25,  26,
 &end
#
#   42 ARG  HN           71 LEU  HN          5.50    (#    873:15  Preassigned    3.49, 3.71 A)
 &rst
  ixpk= 873, nxpk= 15, iat= 657,1132, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   41 GLN  HA           71 LEU  HN          5.50    (#    874:15  Preassigned    4.42, 4.51 A)
 &rst
  ixpk= 874, nxpk= 15, iat= 642,1132, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   65 SER  HA           62 GLN  HN          5.50    (#    875:15  Preassigned    5.02, 5.09 A)
 &rst
  ixpk= 875, nxpk= 15, iat=1038, 982, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    1 MET  QE           62 GLN  HN          4.50    (#    876:15  Preassigned    4.84, 5.83 A)
 &rst
  ixpk= 876, nxpk= 15, iat=  -1, 982, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  15,  16,  17,
 &end
#
#   61 ILE  HB           62 GLN  HN          4.50    (#    877:15  Preassigned    4.46, 4.47 A)
 &rst
  ixpk= 877, nxpk= 15, iat= 967, 982, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    3 ILE  QG2          62 GLN  HN          5.50    (#    878:15  Preassigned    5.94, 6.19 A)
 &rst
  ixpk= 878, nxpk= 15, iat=  -1, 982, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  44,  45,  46,
 &end
#
#   56 LEU  HA           58 ASP  HN          4.50    (#    879:15  Preassigned    4.02, 4.06 A)
 &rst
  ixpk= 879, nxpk= 15, iat= 888, 916, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   59 TYR  HB-          58 ASP  HN          5.50    (#    880:15  Preassigned    4.66, 5.40 A)
 &rst
  ixpk= 880, nxpk= 15, iat=  -1, 916, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 932, 933,
 &end
#
#   54 ARG  HB-          58 ASP  HN          4.50    (#    881:15  Preassigned    4.78, 5.55 A)
 &rst
  ixpk= 881, nxpk= 15, iat=  -1, 916, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 852, 853,
 &end
#
#   50 LEU  HN           43 LEU  HN          4.50    (#    882:15  Preassigned    3.56, 3.80 A)
 &rst
  ixpk= 882, nxpk= 15, iat= 795, 681, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   57 SER  HN           21 ASP  HN          4.50    (#    883:15  Preassigned    4.50, 4.56 A)
 &rst
  ixpk= 883, nxpk= 15, iat= 905, 328, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   56 LEU  QD+          21 ASP  HN          4.50    (#    884:15  Preassigned    3.98, 5.41 A)
 &rst
  ixpk= 884, nxpk= 15, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 895, 896, 897, 899, 900, 901,
 &end
#
#   34 GLU  HN           31 GLN  HN          4.50    (#    885:15  Preassigned    4.45, 4.46 A)
 &rst
  ixpk= 885, nxpk= 15, iat= 542, 491, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   33 LYS  HN           31 GLN  HN          4.50    (#    886:15  Preassigned    3.82, 3.83 A)
 &rst
  ixpk= 886, nxpk= 15, iat= 520, 491, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   32 ASP  HB-          31 GLN  HN          4.50    (#    887:15  Preassigned    4.46, 5.10 A)
 &rst
  ixpk= 887, nxpk= 15, iat=  -1, 491, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 512, 513,
 &end
#
#    0 AMB  15-3:888     31 GLN  HN          4.50    (#    888:15  Single Ambig)
 &rst
  ixpk= 888, nxpk= 15, iat=  -1, 491, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
 igr1= 444, 445, 446, 527, 528, 527, 528, 457, 458, 425,
       426,
 &end
#
#    0 AMB  15-3:889     31 GLN  HN          4.50    (#    889:15  Single Ambig)
 &rst
  ixpk= 889, nxpk= 15, iat=  -1, 491, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 422, 423, 568, 425, 426, 574, 575,
 &end
#
#   30 ILE  QD1          31 GLN  HN          4.50    (#    890:15  Unique         4.54, 5.11 A)
 &rst
  ixpk= 890, nxpk= 15, iat=  -1, 491, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 485, 486, 487,
 &end
#
#   26 VAL  QG+          28 ALA  HN          4.50    (#    891:15  Preassigned    5.40, 6.49 A)
 &rst
  ixpk= 891, nxpk= 15, iat=  -1, 440, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 408, 409, 410, 412, 413, 414,
 &end
#
#   38 PRO  HG+          28 ALA  HN          4.50    (#    892:15  Preassigned    4.66, 5.48 A)
 &rst
  ixpk= 892, nxpk= 15, iat=  -1, 440, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 601, 602,
 &end
#
#   31 GLN  HB+          28 ALA  HN          5.50    (#    893:15  Preassigned    5.50, 5.58 A)
 &rst
  ixpk= 893, nxpk= 15, iat=  -1, 440, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 495, 496,
 &end
#
#    5 VAL  HN           14 THR  HN          5.50    (#    894:15  Preassigned    4.49, 4.51 A)
 &rst
  ixpk= 894, nxpk= 15, iat=  77, 224, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   14 THR  HA           14 THR  HN          3.50    (#    895:15  Preassigned    2.88, 2.89 A)
 &rst
  ixpk= 895, nxpk= 15, iat= 226, 224, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   12 THR  HB           14 THR  HN          5.50    (#    896:15  Preassigned    4.91, 5.02 A)
 &rst
  ixpk= 896, nxpk= 15, iat= 195, 224, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:897     14 THR  HN          4.50    (#    897:15  Single Ambig)
 &rst
  ixpk= 897, nxpk= 15, iat=  -1, 224, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 179, 180, 179, 180,  25,  26,
 &end
#
#   52 ASP  HN           51 GLU  HN          4.50    (#    898:15  Preassigned    4.32, 4.36 A)
 &rst
  ixpk= 898, nxpk= 15, iat= 829, 814, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:899     51 GLU  HN          5.50    (#    899:15  Single Ambig)
 &rst
  ixpk= 899, nxpk= 15, iat=  -1, 814, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 936, 945,
 &end
#
#    0 AMB  15-3:900     51 GLU  HN          4.50    (#    900:15  Single Ambig)
 &rst
  ixpk= 900, nxpk= 15, iat=  -1, 814, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 858, 859, 858, 859,
 &end
#
#   23 ILE  HB           51 GLU  HN          5.50    (#    901:15  Unique         3.67, 3.83 A)
 &rst
  ixpk= 901, nxpk= 15, iat= 358, 814, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:902     44 ILE  HN          4.50    (#    902:15  Single Ambig)
 &rst
  ixpk= 902, nxpk= 15, iat=  -1, 700, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1120, 661, 662,
 &end
#
#   49 GLN  HA           44 ILE  HN          4.50    (#    903:15  Preassigned    4.60, 4.69 A)
 &rst
  ixpk= 903, nxpk= 15, iat= 780, 700, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   64 GLU  HN            2 GLN  HN          4.50    (#    904:15  Preassigned    2.83, 2.85 A)
 &rst
  ixpk= 904, nxpk= 15, iat=1021,  21, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   65 SER  HN            2 GLN  HN          7.00    (#    905:15  Preassigned    5.19, 5.24 A)
 &rst
  ixpk= 905, nxpk= 15, iat=1036,  21, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   14 THR  QG2           2 GLN  HN          5.50    (#    906:15  Unique         5.75, 5.97 A)
 &rst
  ixpk= 906, nxpk= 15, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 230, 231, 232,
 &end
#
#    3 ILE  QG2           2 GLN  HN          4.50    (#    907:15  Preassigned    4.71, 5.67 A)
 &rst
  ixpk= 907, nxpk= 15, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  44,  45,  46,
 &end
#
#   17 VAL  QG+           2 GLN  HN          4.50    (#    908:15  Preassigned    5.21, 7.32 A)
 &rst
  ixpk= 908, nxpk= 15, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 278, 279, 280, 282, 283, 284,
 &end
#
#   42 ARG  HB-          42 ARG  HN          3.50    (#    910:15  Preassigned    2.22, 2.64 A)
 &rst
  ixpk= 910, nxpk= 15, iat=  -1, 657, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 661, 662,
 &end
#
#    4 PHE  HB+          13 ILE  HN          5.50    (#    911:15  Preassigned    4.93, 5.48 A)
 &rst
  ixpk= 911, nxpk= 15, iat=  -1, 205, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  61,  62,
 &end
#
#    0 AMB  15-3:912     47 GLY  HN          5.50    (#    912:15  Single Ambig)
 &rst
  ixpk= 912, nxpk= 15, iat=  -1, 749, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 763, 764, 763, 764,
 &end
#
#    0 AMB  15-3:915     47 GLY  HN          5.50    (#    915:15  Single Ambig)
 &rst
  ixpk= 915, nxpk= 15, iat=  -1, 749, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 758, 780,
 &end
#
#    0 AMB  15-3:916     47 GLY  HN          5.50    (#    916:15  Single Ambig)
 &rst
  ixpk= 916, nxpk= 15, iat=  -1, 749, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 727, 735,
 &end
#
#   56 LEU  QD-          20 SER  HN          5.50    (#    917:15  Unique         4.68, 6.61 A)
 &rst
  ixpk= 917, nxpk= 15, iat=  -1, 317, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 895, 896, 897, 899, 900, 901,
 &end
#
#   55 THR  QG2          20 SER  HN          5.50    (#    918:15  Preassigned    5.57, 6.50 A)
 &rst
  ixpk= 918, nxpk= 15, iat=  -1, 317, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 878, 879, 880,
 &end
#
#   56 LEU  HB-          20 SER  HN          5.50    (#    919:15  Preassigned    4.26, 5.11 A)
 &rst
  ixpk= 919, nxpk= 15, iat=  -1, 317, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 890, 891,
 &end
#
#   55 THR  HB           20 SER  HN          5.50    (#    920:15  Preassigned    5.01, 5.08 A)
 &rst
  ixpk= 920, nxpk= 15, iat= 876, 317, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   21 ASP  HA           20 SER  HN          4.50    (#    921:15  Unique         4.61, 4.64 A)
 &rst
  ixpk= 921, nxpk= 15, iat= 330, 317, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   57 SER  HN           20 SER  HN          5.50    (#    922:15  Preassigned    4.78, 4.80 A)
 &rst
  ixpk= 922, nxpk= 15, iat= 905, 317, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   18 GLU  HN           20 SER  HN          4.50    (#    923:15  Preassigned    4.57, 4.65 A)
 &rst
  ixpk= 923, nxpk= 15, iat= 288, 317, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   11 LYS  HB-           9 THR  HN          4.50    (#    925:15  Preassigned    4.38, 5.39 A)
 &rst
  ixpk= 925, nxpk= 15, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 173, 174,
 &end
#
#    0 AMB  15-3:926      9 THR  HN          5.50    (#    926:15  Single Ambig)
 &rst
  ixpk= 926, nxpk= 15, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 106, 107, 106, 107,
 &end
#
#   69 LEU  HN            9 THR  HN          7.00    (#    927:15  Unique         5.80, 5.94 A)
 &rst
  ixpk= 927, nxpk= 15, iat=1097, 148, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    7 THR  HN            9 THR  HN          5.50    (#    928:15  Preassigned    4.09, 4.37 A)
 &rst
  ixpk= 928, nxpk= 15, iat= 115, 148, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   44 ILE  HB           46 ALA  HN          5.50    (#    936:15  Preassigned    5.67, 5.85 A)
 &rst
  ixpk= 936, nxpk= 15, iat= 704, 739, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   47 GLY  HA+          46 ALA  HN          5.50    (#    937:15  Preassigned    5.15, 5.32 A)
 &rst
  ixpk= 937, nxpk= 15, iat=  -1, 739, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 751, 752,
 &end
#
#   47 GLY  HA-          46 ALA  HN          5.50    (#    938:15  Preassigned    5.15, 5.32 A)
 &rst
  ixpk= 938, nxpk= 15, iat=  -1, 739, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 751, 752,
 &end
#
#   67 LEU  HA           46 ALA  HN          4.50    (#    939:15  Preassigned    4.57, 4.67 A)
 &rst
  ixpk= 939, nxpk= 15, iat=1063, 739, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   48 LYS  HN           46 ALA  HN          4.50    (#    940:15  Preassigned    3.89, 3.92 A)
 &rst
  ixpk= 940, nxpk= 15, iat= 756, 739, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   68 HIS  HN           46 ALA  HN          5.50    (#    941:15  Preassigned    5.09, 5.20 A)
 &rst
  ixpk= 941, nxpk= 15, iat=1080, 739, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   23 ILE  QD1          55 THR  HN          5.50    (#    942:15  Preassigned    4.02, 4.85 A)
 &rst
  ixpk= 942, nxpk= 15, iat=  -1, 872, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 367, 368, 369,
 &end
#
#   22 THR  QG2          55 THR  HN          4.50    (#    943:15  Preassigned    4.29, 5.39 A)
 &rst
  ixpk= 943, nxpk= 15, iat=  -1, 872, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 346, 347, 348,
 &end
#
#    0 AMB  15-3:944     55 THR  HN          5.50    (#    944:15  Single Ambig)
 &rst
  ixpk= 944, nxpk= 15, iat=  -1, 872, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 888, 843, 844, 797,
 &end
#
#   58 ASP  HA           55 THR  HN          4.50    (#    945:15  Unique         4.60, 4.63 A)
 &rst
  ixpk= 945, nxpk= 15, iat= 918, 872, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   59 TYR  HE1          55 THR  HN          4.50    (#    946:15  Preassigned    3.44, 3.53 A)
 &rst
  ixpk= 946, nxpk= 15, iat= 938, 872, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:947     55 THR  HN          4.50    (#    947:15  Single Ambig)
 &rst
  ixpk= 947, nxpk= 15, iat=  -1, 872, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 936, 928,
 &end
#
#   56 LEU  HN           55 THR  HN          5.50    (#    948:15  Preassigned    4.47, 4.47 A)
 &rst
  ixpk= 948, nxpk= 15, iat= 886, 872, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   57 SER  HN           55 THR  HN          7.00    (#    949:15  Preassigned    5.24, 5.29 A)
 &rst
  ixpk= 949, nxpk= 15, iat= 905, 872, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   23 ILE  HN           55 THR  HN          5.50    (#    950:15  Preassigned    4.35, 4.39 A)
 &rst
  ixpk= 950, nxpk= 15, iat= 354, 872, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 ASP  HN           35 GLY  HN          5.50    (#    951:15  Preassigned    4.13, 4.15 A)
 &rst
  ixpk= 951, nxpk= 15, iat= 508, 557, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:952     35 GLY  HN          5.50    (#    952:15  Single Ambig)
 &rst
  ixpk= 952, nxpk= 15, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 474, 584, 585,
 &end
#
#    0 AMB  15-3:953     35 GLY  HN          4.50    (#    953:15  Single Ambig)
 &rst
  ixpk= 953, nxpk= 15, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 478, 479, 480, 218, 219, 220,
 &end
#
#   36 ILE  HG1+         35 GLY  HN          4.50    (#    954:15  Preassigned    4.11, 4.93 A)
 &rst
  ixpk= 954, nxpk= 15, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 574, 575,
 &end
#
#    8 LEU  HN           10 GLY  HN          4.50    (#    955:15  Preassigned    4.22, 4.37 A)
 &rst
  ixpk= 955, nxpk= 15, iat= 129, 162, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    7 THR  HN           10 GLY  HN          4.50    (#    956:15  Preassigned    3.91, 4.03 A)
 &rst
  ixpk= 956, nxpk= 15, iat= 115, 162, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 THR  HN           10 GLY  HN          7.00    (#    957:15  Preassigned    6.36, 6.49 A)
 &rst
  ixpk= 957, nxpk= 15, iat= 191, 162, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  15-3:960     10 GLY  HN          4.50    (#    960:15  Single Ambig)
 &rst
  ixpk= 960, nxpk= 15, iat=  -1, 162, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 133, 134, 133, 134,
 &end
#
#   11 LYS  HB-          10 GLY  HN          4.50    (#    961:15  Preassigned    4.02, 4.79 A)
 &rst
  ixpk= 961, nxpk= 15, iat=  -1, 162, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 173, 174,
 &end
#
#    6 LYS  HG+          10 GLY  HN          5.50    (#    962:15  Preassigned    3.66, 4.54 A)
 &rst
  ixpk= 962, nxpk= 15, iat=  -1, 162, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 100, 101,
 &end
#
#   23 ILE  HN           22 THR  HN          4.50    (#    963:15  Preassigned    4.59, 4.61 A)
 &rst
  ixpk= 963, nxpk= 15, iat= 354, 340, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:964     22 THR  HN          4.50    (#    964:15  Single Ambig)
 &rst
  ixpk= 964, nxpk= 15, iat=  -1, 340, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 402, 886,
 &end
#
#   55 THR  HA           22 THR  HN          4.50    (#    965:15  Preassigned    4.30, 4.33 A)
 &rst
  ixpk= 965, nxpk= 15, iat= 874, 340, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:966     22 THR  HN          5.50    (#    966:15  Single Ambig)
 &rst
  ixpk= 966, nxpk= 15, iat=  -1, 340, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 319, 831,
 &end
#
#    0 AMB  15-3:967     22 THR  HN          5.50    (#    967:15  Single Ambig)
 &rst
  ixpk= 967, nxpk= 15, iat=  -1, 340, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1= 295, 296, 380, 381, 380, 381, 406,
 &end
#
#    0 AMB  15-3:968     22 THR  HN          5.50    (#    968:15  Single Ambig)
 &rst
  ixpk= 968, nxpk= 15, iat=  -1, 340, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 377, 378, 377, 378,
 &end
#
#   26 VAL  QG+          22 THR  HN          4.50    (#    969:15  Preassigned    4.89, 7.26 A)
 &rst
  ixpk= 969, nxpk= 15, iat=  -1, 340, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 408, 409, 410, 412, 413, 414,
 &end
#
#    0 AMB  15-3:970     22 THR  HN          4.50    (#    970:15  Single Ambig)
 &rst
  ixpk= 970, nxpk= 15, iat=  -1, 340, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 408, 409, 410, 412, 413, 414, 895, 896, 897, 899,
       900, 901,
 &end
#
#    0 AMB  15-3:971     22 THR  HN          5.50    (#    971:15  Single Ambig)
 &rst
  ixpk= 971, nxpk= 15, iat=  -1, 340, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 367, 368, 369, 895, 896, 897, 899, 900, 901,
 &end
#
#    0 AMB  15-3:972     67 LEU  HN          5.50    (#    972:15  Single Ambig)
 &rst
  ixpk= 972, nxpk= 15, iat=  -1,1061, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1= 197, 198, 199, 973, 974,  48,  49,
 &end
#
#   69 LEU  HA           70 VAL  HN          2.80    (#    973:15  Preassigned    2.14, 2.14 A)
 &rst
  ixpk= 973, nxpk= 15, iat=1099,1116, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    2 GLN  HG+          15 LEU  HN          5.50    (#    974:15  Preassigned    4.40, 4.73 A)
 &rst
  ixpk= 974, nxpk= 15, iat=  -1, 238, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  28,  29,
 &end
#
#    0 AMB  15-3:975     15 LEU  HN          5.50    (#    975:15  Single Ambig)
 &rst
  ixpk= 975, nxpk= 15, iat=  -1, 238, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 272,  21,
 &end
#
#   65 SER  HG           62 GLN  HN          4.50    (#    976:15  Unique         2.69, 3.58 A)
 &rst
  ixpk= 976, nxpk= 15, iat=1043, 982, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   22 THR  HA           21 ASP  HN          5.50    (#    977:15  Preassigned    5.38, 5.41 A)
 &rst
  ixpk= 977, nxpk= 15, iat= 342, 328, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   18 GLU  HA           21 ASP  HN          5.50    (#    978:15  Preassigned    4.64, 4.72 A)
 &rst
  ixpk= 978, nxpk= 15, iat= 290, 328, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   25 ASN  HB+          21 ASP  HN          7.00    (#    979:15  Preassigned    6.89, 7.37 A)
 &rst
  ixpk= 979, nxpk= 15, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 392, 393,
 &end
#
#   17 VAL  QG+          21 ASP  HN          5.50    (#    980:15  Preassigned    6.17, 6.94 A)
 &rst
  ixpk= 980, nxpk= 15, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 278, 279, 280, 282, 283, 284,
 &end
#
#   32 ASP  HB+          31 GLN  HN          4.50    (#    981:15  Preassigned    4.46, 5.10 A)
 &rst
  ixpk= 981, nxpk= 15, iat=  -1, 491, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 512, 513,
 &end
#
#   30 ILE  HN           28 ALA  HN          4.50    (#    982:15  Preassigned    4.28, 4.31 A)
 &rst
  ixpk= 982, nxpk= 15, iat= 472, 440, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   26 VAL  HA           28 ALA  HN          4.50    (#    983:15  Preassigned    4.54, 4.56 A)
 &rst
  ixpk= 983, nxpk= 15, iat= 404, 440, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   25 ASN  HB-          28 ALA  HN          5.50    (#    984:15  Unique         5.54, 5.82 A)
 &rst
  ixpk= 984, nxpk= 15, iat=  -1, 440, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 392, 393,
 &end
#
#   12 THR  HA           14 THR  HN          5.50    (#    985:15  Preassigned    5.35, 5.43 A)
 &rst
  ixpk= 985, nxpk= 15, iat= 193, 224, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   64 GLU  HB-           2 GLN  HN          5.50    (#    986:15  Preassigned    6.05, 6.24 A)
 &rst
  ixpk= 986, nxpk= 15, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1025,1026,
 &end
#
#    0 AMB  15-3:987      2 GLN  HN          5.50    (#    987:15  Single Ambig)
 &rst
  ixpk= 987, nxpk= 15, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1012,1013,1012,1013,
 &end
#
#   64 GLU  HA            2 GLN  HN          5.50    (#    988:15  Preassigned    4.51, 4.53 A)
 &rst
  ixpk= 988, nxpk= 15, iat=1023,  21, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   54 ARG  HN           51 GLU  HN          5.50    (#    989:15  Preassigned    3.57, 3.61 A)
 &rst
  ixpk= 989, nxpk= 15, iat= 848, 814, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    2 GLN  HA           16 GLU  HN          4.50    (#    993:15  Preassigned    4.34, 4.38 A)
 &rst
  ixpk= 993, nxpk= 15, iat=  23, 257, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   44 ILE  HA           49 GLN  HN          4.50    (#    994:15  Preassigned    4.30, 4.42 A)
 &rst
  ixpk= 994, nxpk= 15, iat= 702, 778, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   44 ILE  HG1+         49 GLN  HN          5.50    (#    996:15  Preassigned    3.87, 5.15 A)
 &rst
  ixpk= 996, nxpk= 15, iat=  -1, 778, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 710, 711,
 &end
#
#   44 ILE  HG1-         49 GLN  HN          4.50    (#    997:15  Preassigned    3.87, 5.15 A)
 &rst
  ixpk= 997, nxpk= 15, iat=  -1, 778, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 710, 711,
 &end
#
#   41 GLN  HN           42 ARG  HN          4.50    (#    998:15  Preassigned    3.96, 3.98 A)
 &rst
  ixpk= 998, nxpk= 15, iat= 640, 657, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   43 LEU  HN           42 ARG  HN          4.50    (#    999:15  Preassigned    4.52, 4.57 A)
 &rst
  ixpk= 999, nxpk= 15, iat= 681, 657, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    9 THR  HN           11 LYS  HN          3.50    (#   1000:15  Preassigned    3.14, 3.38 A)
 &rst
  ixpk= 1000, nxpk= 15, iat= 148, 169, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    6 LYS  HA           11 LYS  HN          4.50    (#   1001:15  Preassigned    4.40, 4.55 A)
 &rst
  ixpk= 1001, nxpk= 15, iat=  95, 169, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:1002    11 LYS  HN          5.50    (#   1002:15  Single Ambig)
 &rst
  ixpk= 1002, nxpk= 15, iat=  -1, 169, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 182, 183, 182, 183,
 &end
#
#    0 AMB  15-3:1003    11 LYS  HN          4.50    (#   1003:15  Single Ambig)
 &rst
  ixpk= 1003, nxpk= 15, iat=  -1, 169, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 106, 107, 106, 107,
 &end
#
#    0 AMB  15-3:1004    11 LYS  HN          5.50    (#   1004:15  Single Ambig)
 &rst
  ixpk= 1004, nxpk= 15, iat=  -1, 169, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 133, 134, 133, 134,
 &end
#
#    0 AMB  15-3:1006     5 VAL  HN          4.50    (#   1006:15  Single Ambig)
 &rst
  ixpk= 1006, nxpk= 15, iat=  -1,  77, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 242, 243,  97,  98, 100, 101,
 &end
#
#   13 ILE  HA            5 VAL  HN          5.50    (#   1007:15  Preassigned    4.78, 4.81 A)
 &rst
  ixpk= 1007, nxpk= 15, iat= 207,  77, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    4 PHE  HE2           5 VAL  HN          7.00    (#   1008:15  Unique         6.99, 7.05 A)
 &rst
  ixpk= 1008, nxpk= 15, iat=  71,  77, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   14 THR  HN            5 VAL  HN          5.50    (#   1009:15  Unique         4.49, 4.51 A)
 &rst
  ixpk= 1009, nxpk= 15, iat= 224,  77, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 ILE  HG1-         30 ILE  HN          7.00    (#   1010:15  Preassigned    7.25, 7.53 A)
 &rst
  ixpk= 1010, nxpk= 15, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 215, 216,
 &end
#
#   31 GLN  HB+          30 ILE  HN          4.50    (#   1011:15  Preassigned    4.86, 4.98 A)
 &rst
  ixpk= 1011, nxpk= 15, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 495, 496,
 &end
#
#   26 VAL  HA           30 ILE  HN          5.50    (#   1012:15  Preassigned    4.48, 4.53 A)
 &rst
  ixpk= 1012, nxpk= 15, iat= 404, 472, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   31 GLN  HA           30 ILE  HN          5.50    (#   1013:15  Preassigned    5.24, 5.27 A)
 &rst
  ixpk= 1013, nxpk= 15, iat= 493, 472, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   41 GLN  HE2+         30 ILE  HN          4.50    (#   1014:15  Preassigned    3.53, 4.32 A)
 &rst
  ixpk= 1014, nxpk= 15, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 652, 653,
 &end
#
#   34 GLU  HN           30 ILE  HN          7.00    (#   1015:15  Preassigned    5.78, 5.79 A)
 &rst
  ixpk= 1015, nxpk= 15, iat= 542, 472, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   55 THR  HN           23 ILE  HN          4.50    (#   1016:15  Preassigned    4.35, 4.39 A)
 &rst
  ixpk= 1016, nxpk= 15, iat= 872, 354, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   54 ARG  HN           23 ILE  HN          4.50    (#   1017:15  Preassigned    3.65, 3.84 A)
 &rst
  ixpk= 1017, nxpk= 15, iat= 848, 354, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:1018    23 ILE  HN          4.50    (#   1018:15  Single Ambig)
 &rst
  ixpk= 1018, nxpk= 15, iat=  -1, 354, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 340, 388,
 &end
#
#   23 ILE  HB           23 ILE  HN          3.50    (#   1019:15  Preassigned    2.68, 2.71 A)
 &rst
  ixpk= 1019, nxpk= 15, iat= 358, 354, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   25 ASN  HD2+         25 ASN  HN          5.50    (#   1020:15  Preassigned    2.53, 3.42 A)
 &rst
  ixpk= 1020, nxpk= 15, iat=  -1, 388, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 397, 398,
 &end
#
#   26 VAL  HA           25 ASN  HN          5.50    (#   1022:15  Preassigned    5.25, 5.28 A)
 &rst
  ixpk= 1022, nxpk= 15, iat= 404, 388, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1023    25 ASN  HN          4.50    (#   1023:15  Single Ambig)
 &rst
  ixpk= 1023, nxpk= 15, iat=  -1, 388, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 332, 333, 833, 834, 358,
 &end
#
#   65 SER  HN           63 LYS  HN          5.50    (#   1024:15  Preassigned    4.81, 4.88 A)
 &rst
  ixpk= 1024, nxpk= 15, iat=1036, 999, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   61 ILE  HA           63 LYS  HN          7.00    (#   1026:15  Preassigned    4.69, 4.76 A)
 &rst
  ixpk= 1026, nxpk= 15, iat= 965, 999, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  15-3:1027    63 LYS  HN          4.50    (#   1027:15  Single Ambig)
 &rst
  ixpk= 1027, nxpk= 15, iat=  -1, 999, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1012,1013,1012,1013,
 &end
#
#    3 ILE  QG2          63 LYS  HN          5.50    (#   1028:15  Preassigned    4.22, 4.67 A)
 &rst
  ixpk= 1028, nxpk= 15, iat=  -1, 999, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  44,  45,  46,
 &end
#
#   61 ILE  QG2          63 LYS  HN          5.50    (#   1029:15  Preassigned    3.12, 3.96 A)
 &rst
  ixpk= 1029, nxpk= 15, iat=  -1, 999, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 969, 970, 971,
 &end
#
#   29 LYS  HE-          29 LYS  HN          4.50    (#   1030:15  Preassigned    4.04, 4.70 A)
 &rst
  ixpk= 1030, nxpk= 15, iat=  -1, 450, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 463, 464,
 &end
#
#    0 AMB  15-3:1031    29 LYS  HN          4.50    (#   1031:15  Single Ambig)
 &rst
  ixpk= 1031, nxpk= 15, iat=  -1, 450, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 463, 464, 392, 393,
 &end
#
#   41 GLN  HE2-         36 ILE  HN          4.50    (#   1032:15  Preassigned    4.25, 4.89 A)
 &rst
  ixpk= 1032, nxpk= 15, iat=  -1, 564, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 652, 653,
 &end
#
#   33 LYS  HN           36 ILE  HN          5.50    (#   1033:15  Preassigned    5.04, 5.06 A)
 &rst
  ixpk= 1033, nxpk= 15, iat= 520, 564, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   37 PRO  HD-          36 ILE  HN          4.50    (#   1034:15  Preassigned    4.74, 4.80 A)
 &rst
  ixpk= 1034, nxpk= 15, iat=  -1, 564, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 584, 585,
 &end
#
#   31 GLN  HB+          36 ILE  HN          4.50    (#   1035:15  Preassigned    4.08, 4.51 A)
 &rst
  ixpk= 1035, nxpk= 15, iat=  -1, 564, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 495, 496,
 &end
#
#    7 THR  QG2          36 ILE  HN          7.00    (#   1036:15  Unique         7.08, 7.81 A)
 &rst
  ixpk= 1036, nxpk= 15, iat=  -1, 564, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 121, 122, 123,
 &end
#
#   30 ILE  QD1          32 ASP  HN          5.50    (#   1037:15  Unique         5.66, 6.24 A)
 &rst
  ixpk= 1037, nxpk= 15, iat=  -1, 508, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 485, 486, 487,
 &end
#
#   30 ILE  HA           32 ASP  HN          4.50    (#   1038:15  Preassigned    4.12, 4.15 A)
 &rst
  ixpk= 1038, nxpk= 15, iat= 474, 508, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   36 ILE  HN           32 ASP  HN          5.50    (#   1039:15  Preassigned    5.23, 5.27 A)
 &rst
  ixpk= 1039, nxpk= 15, iat= 564, 508, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   41 GLN  HE2-         32 ASP  HN          5.50    (#   1040:15  Preassigned    4.75, 5.61 A)
 &rst
  ixpk= 1040, nxpk= 15, iat=  -1, 508, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 652, 653,
 &end
#
#   10 GLY  HN            8 LEU  HN          5.50    (#   1041:15  Preassigned    4.22, 4.37 A)
 &rst
  ixpk= 1041, nxpk= 15, iat= 162, 129, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   45 PHE  HD1          68 HIS  HN          4.50    (#   1042:15  Preassigned    3.87, 4.03 A)
 &rst
  ixpk= 1042, nxpk= 15, iat= 727,1080, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   23 ILE  QD1          54 ARG  HN          4.50    (#   1043:15  Preassigned    4.87, 5.49 A)
 &rst
  ixpk= 1043, nxpk= 15, iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 367, 368, 369,
 &end
#
#   23 ILE  QG2          54 ARG  HN          4.50    (#   1044:15  Preassigned    5.27, 5.78 A)
 &rst
  ixpk= 1044, nxpk= 15, iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 360, 361, 362,
 &end
#
#   55 THR  QG2          54 ARG  HN          5.50    (#   1045:15  Preassigned    5.22, 6.39 A)
 &rst
  ixpk= 1045, nxpk= 15, iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 878, 879, 880,
 &end
#
#   52 ASP  HN           54 ARG  HN          4.50    (#   1046:15  Preassigned    4.23, 4.25 A)
 &rst
  ixpk= 1046, nxpk= 15, iat= 829, 848, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   26 VAL  QG+          18 GLU  HN          5.50    (#   1047:15  Preassigned    4.87, 6.75 A)
 &rst
  ixpk= 1047, nxpk= 15, iat=  -1, 288, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 408, 409, 410, 412, 413, 414,
 &end
#
#   19 PRO  HD-          18 GLU  HN          4.50    (#   1048:15  Preassigned    4.82, 4.89 A)
 &rst
  ixpk= 1048, nxpk= 15, iat=  -1, 288, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 304, 305,
 &end
#
#   19 PRO  HD+          18 GLU  HN          5.50    (#   1049:15  Preassigned    4.82, 4.89 A)
 &rst
  ixpk= 1049, nxpk= 15, iat=  -1, 288, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 304, 305,
 &end
#
#   20 SER  HN           18 GLU  HN          5.50    (#   1050:15  Preassigned    4.57, 4.65 A)
 &rst
  ixpk= 1050, nxpk= 15, iat= 317, 288, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   57 SER  HN           61 ILE  HN          5.50    (#   1051:15  Preassigned    4.45, 4.67 A)
 &rst
  ixpk= 1051, nxpk= 15, iat= 905, 963, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   58 ASP  HN           61 ILE  HN          5.50    (#   1052:15  Preassigned    4.60, 4.70 A)
 &rst
  ixpk= 1052, nxpk= 15, iat= 916, 963, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   59 TYR  HA           61 ILE  HN          5.50    (#   1053:15  Preassigned    4.13, 4.47 A)
 &rst
  ixpk= 1053, nxpk= 15, iat= 930, 963, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   57 SER  HB-          61 ILE  HN          5.50    (#   1054:15  Preassigned    4.76, 5.40 A)
 &rst
  ixpk= 1054, nxpk= 15, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 909, 910,
 &end
#
#   56 LEU  HB+          61 ILE  HN          5.50    (#   1055:15  Preassigned    4.21, 4.80 A)
 &rst
  ixpk= 1055, nxpk= 15, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 890, 891,
 &end
#
#   50 LEU  QD+          68 HIS  HN          5.50    (#   1056:15  Unique         4.09, 5.77 A)
 &rst
  ixpk= 1056, nxpk= 15, iat=  -1,1080, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 804, 805, 806, 808, 809, 810,
 &end
#
#   45 PHE  HB+          68 HIS  HN          4.50    (#   1057:15  Preassigned    4.17, 4.98 A)
 &rst
  ixpk= 1057, nxpk= 15, iat=  -1,1080, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 723, 724,
 &end
#
#   69 LEU  HN           68 HIS  HN          4.50    (#   1058:15  Preassigned    4.27, 4.33 A)
 &rst
  ixpk= 1058, nxpk= 15, iat=1097,1080, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   67 LEU  HN           68 HIS  HN          4.50    (#   1059:15  Preassigned    4.52, 4.55 A)
 &rst
  ixpk= 1059, nxpk= 15, iat=1061,1080, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   65 SER  HN            4 PHE  HN          5.50    (#   1060:15  Preassigned    3.10, 3.15 A)
 &rst
  ixpk= 1060, nxpk= 15, iat=1036,  57, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1061     4 PHE  HN          5.50    (#   1061:15  Single Ambig)
 &rst
  ixpk= 1061, nxpk= 15, iat=  -1,  57, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  28,  29,1028,1029,
 &end
#
#   21 ASP  HB+          56 LEU  HN          5.50    (#   1062:15  Preassigned    4.22, 4.84 A)
 &rst
  ixpk= 1062, nxpk= 15, iat=  -1, 886, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 332, 333,
 &end
#
#    0 AMB  15-3:1063    56 LEU  HN          4.50    (#   1063:15  Single Ambig)
 &rst
  ixpk= 1063, nxpk= 15, iat=  -1, 886, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 909, 910, 321, 322,
 &end
#
#   58 ASP  HN           56 LEU  HN          4.50    (#   1064:15  Preassigned    3.96, 3.98 A)
 &rst
  ixpk= 1064, nxpk= 15, iat= 916, 886, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   21 ASP  HN           56 LEU  HN          4.50    (#   1065:15  Preassigned    3.77, 3.83 A)
 &rst
  ixpk= 1065, nxpk= 15, iat= 328, 886, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   55 THR  HN           56 LEU  HN          5.50    (#   1066:15  Preassigned    4.47, 4.47 A)
 &rst
  ixpk= 1066, nxpk= 15, iat= 872, 886, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   38 PRO  HB+          41 GLN  HN          4.50    (#   1067:15  Preassigned    4.83, 5.05 A)
 &rst
  ixpk= 1067, nxpk= 15, iat=  -1, 640, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 604, 605,
 &end
#
#   41 GLN  HE2+         41 GLN  HN          4.50    (#   1069:15  Preassigned    4.61, 5.33 A)
 &rst
  ixpk= 1069, nxpk= 15, iat=  -1, 640, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 652, 653,
 &end
#
#    1 MET  HG+          17 VAL  HN          4.50    (#   1070:15  Preassigned    3.05, 3.61 A)
 &rst
  ixpk= 1070, nxpk= 15, iat=  -1, 272, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  11,  12,
 &end
#
#   37 PRO  HA           40 GLN  HN          5.50    (#   1071:15  Preassigned    4.74, 4.75 A)
 &rst
  ixpk= 1071, nxpk= 15, iat= 593, 623, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1072    40 GLN  HN          5.50    (#   1072:15  Single Ambig)
 &rst
  ixpk= 1072, nxpk= 15, iat=  -1, 623, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 598, 599, 598, 599,
 &end
#
#   37 PRO  HD-          40 GLN  HN          5.50    (#   1073:15  Preassigned    4.65, 5.19 A)
 &rst
  ixpk= 1073, nxpk= 15, iat=  -1, 623, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 584, 585,
 &end
#
#    0 AMB  15-3:1074    40 GLN  HN          5.50    (#   1074:15  Single Ambig)
 &rst
  ixpk= 1074, nxpk= 15, iat=  -1, 623, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 422, 423, 568,
 &end
#
#   60 ASN  HD2-         60 ASN  HN          5.50    (#   1075:15  Preassigned    2.77, 3.82 A)
 &rst
  ixpk= 1075, nxpk= 15, iat=  -1, 949, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 958, 959,
 &end
#
#   58 ASP  HB+          60 ASN  HN          5.50    (#   1076:15  Preassigned    5.13, 5.41 A)
 &rst
  ixpk= 1076, nxpk= 15, iat=  -1, 949, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 920, 921,
 &end
#
#    0 AMB  15-3:1077    60 ASN  HN          5.50    (#   1077:15  Single Ambig)
 &rst
  ixpk= 1077, nxpk= 15, iat=  -1, 949, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 989, 990, 920, 921,
 &end
#
#   54 ARG  HB-          60 ASN  HN          7.00    (#   1078:15  Preassigned    7.27, 7.98 A)
 &rst
  ixpk= 1078, nxpk= 15, iat=  -1, 949, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 852, 853,
 &end
#
#   61 ILE  HB           60 ASN  HN          4.50    (#   1079:15  Preassigned    4.71, 4.76 A)
 &rst
  ixpk= 1079, nxpk= 15, iat= 967, 949, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   61 ILE  HG1+         60 ASN  HN          4.50    (#   1080:15  Preassigned    4.25, 5.20 A)
 &rst
  ixpk= 1080, nxpk= 15, iat=  -1, 949, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 973, 974,
 &end
#
#   30 ILE  HN           33 LYS  HN          5.50    (#   1082:15  Preassigned    4.79, 4.79 A)
 &rst
  ixpk= 1082, nxpk= 15, iat= 472, 520, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1083    33 LYS  HN          5.50    (#   1083:15  Single Ambig)
 &rst
  ixpk= 1083, nxpk= 15, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 533, 534, 533, 534,
 &end
#
#   31 GLN  HB+          33 LYS  HN          5.50    (#   1084:15  Preassigned    4.81, 5.17 A)
 &rst
  ixpk= 1084, nxpk= 15, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 495, 496,
 &end
#
#    0 AMB  15-3:1085    33 LYS  HN          5.50    (#   1085:15  Single Ambig)
 &rst
  ixpk= 1085, nxpk= 15, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 215, 216, 460, 461,
 &end
#
#    0 AMB  15-3:1086    59 TYR  HN          4.50    (#   1086:15  Single Ambig)
 &rst
  ixpk= 1086, nxpk= 15, iat=  -1, 928, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 367, 368, 369, 895, 896, 897, 899, 900, 901,
 &end
#
#   60 ASN  HB-          59 TYR  HN          5.50    (#   1087:15  Preassigned    4.98, 5.45 A)
 &rst
  ixpk= 1087, nxpk= 15, iat=  -1, 928, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 953, 954,
 &end
#
#    0 AMB  15-3:1088    59 TYR  HN          5.50    (#   1088:15  Single Ambig)
 &rst
  ixpk= 1088, nxpk= 15, iat=  -1, 928, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 953, 954, 965,
 &end
#
#   57 SER  HB-          59 TYR  HN          4.50    (#   1089:15  Preassigned    4.83, 5.00 A)
 &rst
  ixpk= 1089, nxpk= 15, iat=  -1, 928, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 909, 910,
 &end
#
#   55 THR  HB           59 TYR  HN          5.50    (#   1090:15  Preassigned    5.65, 5.67 A)
 &rst
  ixpk= 1090, nxpk= 15, iat= 876, 928, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   57 SER  HN           59 TYR  HN          4.50    (#   1091:15  Preassigned    4.09, 4.11 A)
 &rst
  ixpk= 1091, nxpk= 15, iat= 905, 928, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   55 THR  HN           59 TYR  HN          5.50    (#   1092:15  Preassigned    4.87, 4.96 A)
 &rst
  ixpk= 1092, nxpk= 15, iat= 872, 928, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   64 GLU  HB-          65 SER  HN          4.50    (#   1094:15  Preassigned    4.34, 4.38 A)
 &rst
  ixpk= 1094, nxpk= 15, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1025,1026,
 &end
#
#    0 AMB  15-3:1095    65 SER  HN          4.50    (#   1095:15  Single Ambig)
 &rst
  ixpk= 1095, nxpk= 15, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1003,1004,   8,   9,
 &end
#
#    3 ILE  HB           65 SER  HN          4.50    (#   1096:15  Preassigned    3.82, 3.88 A)
 &rst
  ixpk= 1096, nxpk= 15, iat=  42,1036, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    2 GLN  HN           64 GLU  HN          5.50    (#   1098:15  Preassigned    2.83, 2.85 A)
 &rst
  ixpk= 1098, nxpk= 15, iat=  21,1021, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    4 PHE  HN           64 GLU  HN          5.50    (#   1099:15  Preassigned    5.46, 5.58 A)
 &rst
  ixpk= 1099, nxpk= 15, iat=  57,1021, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   65 SER  HB-          64 GLU  HN          5.50    (#   1100:15  Preassigned    4.64, 5.47 A)
 &rst
  ixpk= 1100, nxpk= 15, iat=  -1,1021, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1040,1041,
 &end
#
#    0 AMB  15-3:1101    64 GLU  HN          4.50    (#   1101:15  Single Ambig)
 &rst
  ixpk= 1101, nxpk= 15, iat=  -1,1021, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=  15,  16,  17,1009,1010,  25,  26,
 &end
#
#   61 ILE  QG2          64 GLU  HN          7.00    (#   1102:15  Unique         5.55, 6.28 A)
 &rst
  ixpk= 1102, nxpk= 15, iat=  -1,1021, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 969, 970, 971,
 &end
#
#   10 GLY  HN            7 THR  HN          4.50    (#   1103:15  Preassigned    3.91, 4.03 A)
 &rst
  ixpk= 1103, nxpk= 15, iat= 162, 115, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    9 THR  HN            7 THR  HN          5.50    (#   1104:15  Preassigned    4.09, 4.37 A)
 &rst
  ixpk= 1104, nxpk= 15, iat= 148, 115, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1105     7 THR  HN          5.50    (#   1105:15  Single Ambig)
 &rst
  ixpk= 1105, nxpk= 15, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 106, 107, 106, 107,
 &end
#
#   11 LYS  HB-           7 THR  HN          4.50    (#   1106:15  Preassigned    3.45, 4.40 A)
 &rst
  ixpk= 1106, nxpk= 15, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 173, 174,
 &end
#
#    0 AMB  15-3:1107     3 ILE  HN          4.50    (#   1107:15  Single Ambig)
 &rst
  ixpk= 1107, nxpk= 15, iat=  -1,  38, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 264, 265,   8,   9,   8,   9,
 &end
#
#   64 GLU  HA            3 ILE  HN          7.00    (#   1108:15  Preassigned    5.23, 5.29 A)
 &rst
  ixpk= 1108, nxpk= 15, iat=1023,  38, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    4 PHE  HA            3 ILE  HN          5.50    (#   1109:15  Preassigned    4.74, 4.78 A)
 &rst
  ixpk= 1109, nxpk= 15, iat=  59,  38, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    4 PHE  HN            3 ILE  HN          4.50    (#   1110:15  Preassigned    4.38, 4.41 A)
 &rst
  ixpk= 1110, nxpk= 15, iat=  57,  38, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   13 ILE  HN            7 THR  HN          4.50    (#   1111:15  Preassigned    3.90, 4.05 A)
 &rst
  ixpk= 1111, nxpk= 15, iat= 205, 115, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   32 ASP  HB-          34 GLU  HN          5.50    (#   1112:15  Preassigned    5.23, 5.34 A)
 &rst
  ixpk= 1112, nxpk= 15, iat=  -1, 542, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 512, 513,
 &end
#
#    0 AMB  15-3:1113    34 GLU  HN          5.50    (#   1113:15  Single Ambig)
 &rst
  ixpk= 1113, nxpk= 15, iat=  -1, 542, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 574, 575, 215, 216,
 &end
#
#   27 LYS  HB+          39 ASP  HN          5.50    (#   1114:15  Preassigned    5.68, 6.18 A)
 &rst
  ixpk= 1114, nxpk= 15, iat=  -1, 611, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 422, 423,
 &end
#
#   36 ILE  QG2          39 ASP  HN          5.50    (#   1115:15  Preassigned    5.93, 6.90 A)
 &rst
  ixpk= 1115, nxpk= 15, iat=  -1, 611, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 570, 571, 572,
 &end
#
#    0 AMB  15-3:1121     6 LYS  HN          4.50    (#   1121:15  Single Ambig)
 &rst
  ixpk= 1121, nxpk= 15, iat=  -1,  93, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 197, 198, 199,1101,1102,
 &end
#
#   68 HIS  HB-           6 LYS  HN          5.50    (#   1122:15  Preassigned    5.48, 5.89 A)
 &rst
  ixpk= 1122, nxpk= 15, iat=  -1,  93, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1084,1085,
 &end
#
#    4 PHE  HB-           6 LYS  HN          5.50    (#   1123:15  Preassigned    4.45, 4.72 A)
 &rst
  ixpk= 1123, nxpk= 15, iat=  -1,  93, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  61,  62,
 &end
#
#    5 VAL  HB           67 LEU  HN          5.50    (#   1124:15  Preassigned    5.15, 5.28 A)
 &rst
  ixpk= 1124, nxpk= 15, iat=  81,1061, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    6 LYS  HG+           6 LYS  HN          4.50    (#   1125:15  Preassigned    4.13, 4.39 A)
 &rst
  ixpk= 1125, nxpk= 15, iat=  -1,  93, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 100, 101,
 &end
#
#    0 AMB  15-3:1126     6 LYS  HN          5.50    (#   1126:15  Single Ambig)
 &rst
  ixpk= 1126, nxpk= 15, iat=  -1,  93, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1068,  42, 704,
 &end
#
#   44 ILE  HB           50 LEU  HN          7.00    (#   1127:15  Preassigned    5.51, 5.63 A)
 &rst
  ixpk= 1127, nxpk= 15, iat= 704, 795, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  15-3:1129    15 LEU  HN          5.50    (#   1129:15  Single Ambig)
 &rst
  ixpk= 1129, nxpk= 15, iat=  -1, 238, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  71,  69,
 &end
#
#    0 AMB  15-3:1130    15 LEU  HN          4.50    (#   1130:15  Single Ambig)
 &rst
  ixpk= 1130, nxpk= 15, iat=  -1, 238, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  51,  52,  53,  44,  45,  46,
 &end
#
#   44 ILE  HG1+         45 PHE  HN          4.50    (#   1131:15  Preassigned    3.62, 4.42 A)
 &rst
  ixpk= 1131, nxpk= 15, iat=  -1, 719, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 710, 711,
 &end
#
#   70 VAL  QG+          45 PHE  HN          7.00    (#   1132:15  Unique         5.90, 7.90 A)
 &rst
  ixpk= 1132, nxpk= 15, iat=  -1, 719, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1122,1123,1124,1126,1127,1128,
 &end
#
#   55 THR  HB           21 ASP  HN          4.50    (#   1133:15  Preassigned    3.92, 4.00 A)
 &rst
  ixpk= 1133, nxpk= 15, iat= 876, 328, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   55 THR  HA           21 ASP  HN          5.50    (#   1134:15  Preassigned    5.15, 5.20 A)
 &rst
  ixpk= 1134, nxpk= 15, iat= 874, 328, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   19 PRO  HD+          21 ASP  HN          4.50    (#   1135:15  Preassigned    4.63, 5.06 A)
 &rst
  ixpk= 1135, nxpk= 15, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 304, 305,
 &end
#
#   56 LEU  HG           21 ASP  HN          4.50    (#   1136:15  Preassigned    3.40, 3.55 A)
 &rst
  ixpk= 1136, nxpk= 15, iat= 893, 328, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   55 THR  QG2          21 ASP  HN          4.50    (#   1137:15  Preassigned    4.07, 5.14 A)
 &rst
  ixpk= 1137, nxpk= 15, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 878, 879, 880,
 &end
#
#   56 LEU  HB-          21 ASP  HN          4.50    (#   1138:15  Preassigned    3.61, 4.47 A)
 &rst
  ixpk= 1138, nxpk= 15, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 890, 891,
 &end
#
#   31 GLN  HE2+         31 GLN  HN          5.50    (#   1139:15  Preassigned    5.87, 6.24 A)
 &rst
  ixpk= 1139, nxpk= 15, iat=  -1, 491, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 503, 504,
 &end
#
#   36 ILE  HN           31 GLN  HN          4.50    (#   1140:15  Preassigned    4.72, 4.73 A)
 &rst
  ixpk= 1140, nxpk= 15, iat= 564, 491, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   49 GLN  HA           51 GLU  HN          7.00    (#   1141:15  Preassigned    6.33, 6.42 A)
 &rst
  ixpk= 1141, nxpk= 15, iat= 780, 814, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   54 ARG  HG+          51 GLU  HN          4.50    (#   1142:15  Preassigned    3.19, 3.93 A)
 &rst
  ixpk= 1142, nxpk= 15, iat=  -1, 814, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 855, 856,
 &end
#
#    0 AMB  15-3:1143     0 AMB  15-1:1143   5.50    (#   1143:15  Double Ambig)
 &rst
  ixpk= 1143, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 115, 872,
 igr2=1097, 814,
 &end
#
#    0 AMB  15-3:1144    69 LEU  HN          5.50    (#   1144:15  Single Ambig)
 &rst
  ixpk= 1144, nxpk= 15, iat=  -1,1097, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 704,1068,
 &end
#
#    7 THR  QG2          69 LEU  HN          4.50    (#   1145:15  Preassigned    3.81, 4.71 A)
 &rst
  ixpk= 1145, nxpk= 15, iat=  -1,1097, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 121, 122, 123,
 &end
#
#    0 AMB  15-3:1146    14 THR  HN          4.50    (#   1146:15  Single Ambig)
 &rst
  ixpk= 1146, nxpk= 15, iat=  -1, 224, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 530, 531, 530, 531,
 &end
#
#   50 LEU  HN           44 ILE  HN          5.50    (#   1147:15  Preassigned    4.43, 4.54 A)
 &rst
  ixpk= 1147, nxpk= 15, iat= 795, 700, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1148    74 ARG  HN          5.50    (#   1148:15  Single Ambig)
 &rst
  ixpk= 1148, nxpk= 15, iat=  -1,1194, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 667, 668, 667, 668,
 &end
#
#   16 GLU  HA           16 GLU  HN          3.50    (#   1151:15  Preassigned    2.87, 2.88 A)
 &rst
  ixpk= 1151, nxpk= 15, iat= 259, 257, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   24 GLU  HA           26 VAL  HN          5.50    (#   1152:15  Preassigned    4.46, 4.48 A)
 &rst
  ixpk= 1152, nxpk= 15, iat= 375, 402, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   70 VAL  QG+          42 ARG  HN          5.50    (#   1154:15  Preassigned    2.63, 5.01 A)
 &rst
  ixpk= 1154, nxpk= 15, iat=  -1, 657, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1122,1123,1124,1126,1127,1128,
 &end
#
#    0 AMB  15-3:1155     0 AMB  15-1:1155   2.80    (#   1155:15  Double Ambig)
 &rst
  ixpk= 1155, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 408, 409, 410, 412, 413, 414, 247, 248, 249, 251,
       252, 253,
 igr2= 402, 257,
 &end
#
#    0 AMB  15-3:1156    42 ARG  HN          3.50    (#   1156:15  Single Ambig)
 &rst
  ixpk= 1156, nxpk= 15, iat=  -1, 657, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 664, 665, 664, 665,
 &end
#
#    0 AMB  15-3:1157     0 AMB  15-1:1157   4.50    (#   1157:15  Double Ambig)
 &rst
  ixpk= 1157, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 367, 368, 369, 895, 896, 897, 899, 900, 901,  51,
        52,  53,
 igr2= 402, 257,
 &end
#
#   12 THR  HA           11 LYS  HN          5.50    (#   1158:15  Preassigned    4.93, 5.11 A)
 &rst
  ixpk= 1158, nxpk= 15, iat= 193, 169, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 ILE  QG2          11 LYS  HN          5.50    (#   1159:15  Preassigned    6.13, 7.18 A)
 &rst
  ixpk= 1159, nxpk= 15, iat=  -1, 169, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 211, 212, 213,
 &end
#
#    0 AMB  15-3:1160     5 VAL  HN          4.50    (#   1160:15  Single Ambig)
 &rst
  ixpk= 1160, nxpk= 15, iat=  -1,  77, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1065,1066, 179, 180, 179, 180,
 &end
#
#    0 AMB  15-3:1161     5 VAL  HN          4.50    (#   1161:15  Single Ambig)
 &rst
  ixpk= 1161, nxpk= 15, iat=  -1,  77, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1065,1066, 530, 531, 530, 531,
 &end
#
#    0 AMB  15-3:1162    23 ILE  HN          4.50    (#   1162:15  Single Ambig)
 &rst
  ixpk= 1162, nxpk= 15, iat=  -1, 354, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 850, 330,
 &end
#
#    0 AMB  15-3:1163     0 AMB  15-1:1163   4.50    (#   1163:15  Double Ambig)
 &rst
  ixpk= 1163, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 659, 876,
 igr2=1151, 354,
 &end
#
#   23 ILE  HG1+         23 ILE  HN          2.80    (#   1164:15  Preassigned    2.13, 2.95 A)
 &rst
  ixpk= 1164, nxpk= 15, iat=  -1, 354, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 364, 365,
 &end
#
#    0 AMB  15-3:1165    23 ILE  HN          4.50    (#   1165:15  Single Ambig)
 &rst
  ixpk= 1165, nxpk= 15, iat=  -1, 354, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 852, 853, 377, 378, 377, 378,
 &end
#
#   55 THR  QG2          23 ILE  HN          4.50    (#   1166:15  Preassigned    3.78, 4.68 A)
 &rst
  ixpk= 1166, nxpk= 15, iat=  -1, 354, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 878, 879, 880,
 &end
#
#    0 AMB  15-3:1167     0 AMB  15-1:1167   5.50    (#   1167:15  Double Ambig)
 &rst
  ixpk= 1167, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1=1122,1123,1124,1126,1127,1128, 408, 409, 410, 412,
       413, 414,1184,1185,1186,1188,1189,1190,
 igr2=1151, 354,
 &end
#
#    6 LYS  HA           12 THR  HN          4.50    (#   1168:15  Preassigned    4.28, 4.32 A)
 &rst
  ixpk= 1168, nxpk= 15, iat=  95, 191, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   21 ASP  HA           25 ASN  HN          7.00    (#   1169:15  Preassigned    5.69, 5.81 A)
 &rst
  ixpk= 1169, nxpk= 15, iat= 330, 388, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   52 ASP  HA           25 ASN  HN          5.50    (#   1170:15  Preassigned    4.84, 4.89 A)
 &rst
  ixpk= 1170, nxpk= 15, iat= 831, 388, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   23 ILE  HA           25 ASN  HN          5.50    (#   1171:15  Preassigned    4.51, 4.55 A)
 &rst
  ixpk= 1171, nxpk= 15, iat= 356, 388, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1172    25 ASN  HN          4.50    (#   1172:15  Single Ambig)
 &rst
  ixpk= 1172, nxpk= 15, iat=  -1, 388, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 425, 426, 444, 445, 446, 428, 429,
 &end
#
#   23 ILE  QG2          25 ASN  HN          5.50    (#   1173:15  Preassigned    5.63, 6.41 A)
 &rst
  ixpk= 1173, nxpk= 15, iat=  -1, 388, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 360, 361, 362,
 &end
#
#   23 ILE  QD1          25 ASN  HN          5.50    (#   1174:15  Preassigned    6.09, 6.78 A)
 &rst
  ixpk= 1174, nxpk= 15, iat=  -1, 388, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 367, 368, 369,
 &end
#
#    0 AMB  15-3:1176    12 THR  HN          4.50    (#   1176:15  Single Ambig)
 &rst
  ixpk= 1176, nxpk= 15, iat=  -1, 191, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 179, 180, 179, 180,
 &end
#
#   13 ILE  QG2          12 THR  HN          5.50    (#   1177:15  Preassigned    4.89, 5.96 A)
 &rst
  ixpk= 1177, nxpk= 15, iat=  -1, 191, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 211, 212, 213,
 &end
#
#   49 GLN  HN           48 LYS  HN          4.50    (#   1179:15  Preassigned    4.19, 4.34 A)
 &rst
  ixpk= 1179, nxpk= 15, iat= 778, 756, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   45 PHE  HA           48 LYS  HN          5.50    (#   1180:15  Preassigned    4.22, 4.26 A)
 &rst
  ixpk= 1180, nxpk= 15, iat= 721, 756, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 GLN  HB+          48 LYS  HN          7.00    (#   1181:15  Preassigned    5.98, 6.55 A)
 &rst
  ixpk= 1181, nxpk= 15, iat=  -1, 756, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 782, 783,
 &end
#
#   44 ILE  HG1+         48 LYS  HN          5.50    (#   1182:15  Preassigned    4.71, 5.97 A)
 &rst
  ixpk= 1182, nxpk= 15, iat=  -1, 756, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 710, 711,
 &end
#
#    0 AMB  15-3:1183    29 LYS  HN          4.50    (#   1183:15  Single Ambig)
 &rst
  ixpk= 1183, nxpk= 15, iat=  -1, 450, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 508, 402,
 &end
#
#   47 GLY  HA-          48 LYS  HN          3.50    (#   1184:15  Preassigned    3.18, 3.28 A)
 &rst
  ixpk= 1184, nxpk= 15, iat=  -1, 756, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 751, 752,
 &end
#
#   25 ASN  HA           29 LYS  HN          4.50    (#   1185:15  Preassigned    4.60, 4.64 A)
 &rst
  ixpk= 1185, nxpk= 15, iat= 390, 450, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   46 ALA  HA           48 LYS  HN          4.50    (#   1186:15  Preassigned    4.08, 4.13 A)
 &rst
  ixpk= 1186, nxpk= 15, iat= 741, 756, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 ILE  HA           29 LYS  HN          5.50    (#   1187:15  Preassigned    5.33, 5.35 A)
 &rst
  ixpk= 1187, nxpk= 15, iat= 474, 450, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1188    48 LYS  HN          4.50    (#   1188:15  Single Ambig)
 &rst
  ixpk= 1188, nxpk= 15, iat=  -1, 756, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 769, 770, 769, 770,
 &end
#
#   47 GLY  HA+          48 LYS  HN          3.50    (#   1189:15  Preassigned    3.18, 3.28 A)
 &rst
  ixpk= 1189, nxpk= 15, iat=  -1, 756, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 751, 752,
 &end
#
#   31 GLN  HB+          29 LYS  HN          5.50    (#   1190:15  Unique         5.19, 5.56 A)
 &rst
  ixpk= 1190, nxpk= 15, iat=  -1, 450, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 495, 496,
 &end
#
#   30 ILE  QD1          29 LYS  HN          4.50    (#   1191:15  Preassigned    3.91, 5.00 A)
 &rst
  ixpk= 1191, nxpk= 15, iat=  -1, 450, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 485, 486, 487,
 &end
#
#    0 AMB  15-3:1192    41 GLN  HN          3.50    (#   1192:15  Single Ambig)
 &rst
  ixpk= 1192, nxpk= 15, iat=  -1, 640, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 644, 645, 644, 645,
 &end
#
#    0 AMB  15-3:1193    41 GLN  HN          4.50    (#   1193:15  Single Ambig)
 &rst
  ixpk= 1193, nxpk= 15, iat=  -1, 640, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 425, 426, 422, 423,
 &end
#
#   36 ILE  QG2          41 GLN  HN          4.50    (#   1194:15  Preassigned    4.15, 4.79 A)
 &rst
  ixpk= 1194, nxpk= 15, iat=  -1, 640, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 570, 571, 572,
 &end
#
#   39 ASP  HB+          40 GLN  HN          4.50    (#   1196:15  Preassigned    3.09, 3.68 A)
 &rst
  ixpk= 1196, nxpk= 15, iat=  -1, 623, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 615, 616,
 &end
#
#   38 PRO  HB+          40 GLN  HN          4.50    (#   1197:15  Preassigned    4.89, 5.20 A)
 &rst
  ixpk= 1197, nxpk= 15, iat=  -1, 623, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 604, 605,
 &end
#
#   56 LEU  HA           60 ASN  HN          5.50    (#   1198:15  Preassigned    5.67, 5.70 A)
 &rst
  ixpk= 1198, nxpk= 15, iat= 888, 949, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   54 ARG  HB-          59 TYR  HN          5.50    (#   1199:15  Preassigned    5.24, 5.97 A)
 &rst
  ixpk= 1199, nxpk= 15, iat=  -1, 928, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 852, 853,
 &end
#
#    0 AMB  15-3:1200    33 LYS  HN          4.50    (#   1200:15  Single Ambig)
 &rst
  ixpk= 1200, nxpk= 15, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 549, 550, 454, 455,
 &end
#
#    0 AMB  15-3:1201    33 LYS  HN          3.50    (#   1201:15  Single Ambig)
 &rst
  ixpk= 1201, nxpk= 15, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 546, 547, 530, 531, 530, 531,
 &end
#
#    4 PHE  HD1          64 GLU  HN          7.00    (#   1202:15  Preassigned    6.59, 6.63 A)
 &rst
  ixpk= 1202, nxpk= 15, iat=  65,1021, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    4 PHE  HN           65 SER  HN          4.50    (#   1203:15  Preassigned    3.10, 3.15 A)
 &rst
  ixpk= 1203, nxpk= 15, iat=  57,1036, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   63 LYS  HN           65 SER  HN          5.50    (#   1204:15  Preassigned    4.81, 4.88 A)
 &rst
  ixpk= 1204, nxpk= 15, iat= 999,1036, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 LEU  HA            3 ILE  HN          4.50    (#   1205:15  Preassigned    4.48, 4.50 A)
 &rst
  ixpk= 1205, nxpk= 15, iat= 240,  38, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   66 THR  QG2           7 THR  HN          7.00    (#   1206:15  Preassigned    6.93, 7.56 A)
 &rst
  ixpk= 1206, nxpk= 15, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1053,1054,1055,
 &end
#
#    0 AMB  15-3:1207    57 SER  HN          7.00    (#   1207:15  Single Ambig)
 &rst
  ixpk= 1207, nxpk= 15, iat=  -1, 905, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 330, 930, 850,
 &end
#
#   61 ILE  HB           57 SER  HN          4.50    (#   1208:15  Preassigned    3.90, 4.00 A)
 &rst
  ixpk= 1208, nxpk= 15, iat= 967, 905, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:1210     3 ILE  HN          7.00    (#   1210:15  Single Ambig)
 &rst
  ixpk= 1210, nxpk= 15, iat=  -1,  38, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1021,  77,
 &end
#
#   61 ILE  QG2           4 PHE  HN          5.50    (#   1211:15  Unique         5.62, 6.31 A)
 &rst
  ixpk= 1211, nxpk= 15, iat=  -1,  57, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 969, 970, 971,
 &end
#
#    0 AMB  15-3:1212     4 PHE  HN          7.00    (#   1212:15  Single Ambig)
 &rst
  ixpk= 1212, nxpk= 15, iat=  -1,  57, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=  97,  98, 242, 243,
 &end
#
#   66 THR  HB            4 PHE  HN          5.50    (#   1213:15  Preassigned    5.61, 5.69 A)
 &rst
  ixpk= 1213, nxpk= 15, iat=1051,  57, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    5 VAL  HA            4 PHE  HN          5.50    (#   1214:15  Preassigned    4.91, 4.96 A)
 &rst
  ixpk= 1214, nxpk= 15, iat=  79,  57, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   14 THR  HA            4 PHE  HN          7.00    (#   1215:15  Preassigned    4.37, 4.41 A)
 &rst
  ixpk= 1215, nxpk= 15, iat= 226,  57, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   65 SER  HB-           4 PHE  HN          5.50    (#   1216:15  Preassigned    3.86, 4.37 A)
 &rst
  ixpk= 1216, nxpk= 15, iat=  -1,  57, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1040,1041,
 &end
#
#    4 PHE  HN            5 VAL  HN          4.50    (#   1217:15  Preassigned    4.13, 4.14 A)
 &rst
  ixpk= 1217, nxpk= 15, iat=  57,  77, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 LEU  HN            5 VAL  HN          4.50    (#   1218:15  Unique         3.85, 3.90 A)
 &rst
  ixpk= 1218, nxpk= 15, iat= 238,  77, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   68 HIS  HD2           6 LYS  HN          7.00    (#   1219:15  Preassigned    5.97, 6.80 A)
 &rst
  ixpk= 1219, nxpk= 15, iat=1093,  93, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    4 PHE  HA            6 LYS  HN          5.50    (#   1220:15  Preassigned    5.06, 5.10 A)
 &rst
  ixpk= 1220, nxpk= 15, iat=  59,  93, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   10 GLY  HA+           7 THR  HN          5.50    (#   1221:15  Preassigned    4.96, 5.66 A)
 &rst
  ixpk= 1221, nxpk= 15, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 164, 165,
 &end
#
#   13 ILE  HA            7 THR  HN          7.00    (#   1222:15  Preassigned    6.47, 6.62 A)
 &rst
  ixpk= 1222, nxpk= 15, iat= 207, 115, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   69 LEU  HN            7 THR  HN          5.50    (#   1223:15  Preassigned    4.16, 4.30 A)
 &rst
  ixpk= 1223, nxpk= 15, iat=1097, 115, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   11 LYS  HB-           8 LEU  HN          7.00    (#   1224:15  Preassigned    6.09, 7.22 A)
 &rst
  ixpk= 1224, nxpk= 15, iat=  -1, 129, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 173, 174,
 &end
#
#   69 LEU  HN            8 LEU  HN          4.50    (#   1225:15  Preassigned    3.67, 3.90 A)
 &rst
  ixpk= 1225, nxpk= 15, iat=1097, 129, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:1226     9 THR  HN          5.50    (#   1226:15  Single Ambig)
 &rst
  ixpk= 1226, nxpk= 15, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 179, 180, 179, 180,  97,  98, 103, 104,
 &end
#
#   10 GLY  HA-           9 THR  HN          4.50    (#   1227:15  Preassigned    4.36, 4.79 A)
 &rst
  ixpk= 1227, nxpk= 15, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 164, 165,
 &end
#
#    9 THR  HB            9 THR  HN          3.50    (#   1228:15  Preassigned    2.33, 2.39 A)
 &rst
  ixpk= 1228, nxpk= 15, iat= 152, 148, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   11 LYS  HB+          10 GLY  HN          4.50    (#   1231:15  Preassigned    4.02, 4.79 A)
 &rst
  ixpk= 1231, nxpk= 15, iat=  -1, 162, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 173, 174,
 &end
#
#    0 AMB  15-3:1232    10 GLY  HN          4.50    (#   1232:15  Single Ambig)
 &rst
  ixpk= 1232, nxpk= 15, iat=  -1, 162, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 103, 104, 103, 104, 179, 180, 179, 180,  97,  98,
      
 &end
#
#    6 LYS  HG-          10 GLY  HN          5.50    (#   1233:15  Preassigned    3.66, 4.54 A)
 &rst
  ixpk= 1233, nxpk= 15, iat=  -1, 162, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 100, 101,
 &end
#
#   16 GLU  HN            3 ILE  HN          5.50    (#   1234:15  Preassigned    4.75, 4.77 A)
 &rst
  ixpk= 1234, nxpk= 15, iat= 257,  38, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    3 ILE  HA            5 VAL  HN          5.50    (#   1235:15  Preassigned    5.44, 5.51 A)
 &rst
  ixpk= 1235, nxpk= 15, iat=  40,  77, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1236     7 THR  HN          5.50    (#   1236:15  Single Ambig)
 &rst
  ixpk= 1236, nxpk= 15, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=  81, 133, 134, 133, 134,
 &end
#
#   11 LYS  HN            8 LEU  HN          5.50    (#   1237:15  Preassigned    5.26, 5.32 A)
 &rst
  ixpk= 1237, nxpk= 15, iat= 169, 129, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    8 LEU  HG            9 THR  HN          5.50    (#   1239:15  Preassigned    4.94, 5.10 A)
 &rst
  ixpk= 1239, nxpk= 15, iat= 136, 148, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    8 LEU  HN           11 LYS  HN          5.50    (#   1240:15  Preassigned    5.26, 5.32 A)
 &rst
  ixpk= 1240, nxpk= 15, iat= 129, 169, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1241    12 THR  HN          5.50    (#   1241:15  Single Ambig)
 &rst
  ixpk= 1241, nxpk= 15, iat=  -1, 191, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 182, 183, 182, 183,
 &end
#
#   13 ILE  HN           12 THR  HN          4.50    (#   1242:15  Preassigned    4.00, 4.07 A)
 &rst
  ixpk= 1242, nxpk= 15, iat= 205, 191, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:1243    13 ILE  HN          4.50    (#   1243:15  Single Ambig)
 &rst
  ixpk= 1243, nxpk= 15, iat=  -1, 205, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 179, 180, 179, 180,
 &end
#
#    0 AMB  15-3:1244    14 THR  HN          4.50    (#   1244:15  Single Ambig)
 &rst
  ixpk= 1244, nxpk= 15, iat=  -1, 224, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 533, 534, 533, 534,
 &end
#
#    4 PHE  HA           14 THR  HN          5.50    (#   1245:15  Preassigned    4.03, 4.10 A)
 &rst
  ixpk= 1245, nxpk= 15, iat=  59, 224, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    4 PHE  HD2          14 THR  HN          5.50    (#   1246:15  Preassigned    4.41, 4.49 A)
 &rst
  ixpk= 1246, nxpk= 15, iat=  73, 224, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 ILE  HA           15 LEU  HN          7.00    (#   1247:15  Preassigned    5.88, 5.92 A)
 &rst
  ixpk= 1247, nxpk= 15, iat= 207, 238, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    4 PHE  HB+          15 LEU  HN          5.50    (#   1248:15  Preassigned    5.92, 6.26 A)
 &rst
  ixpk= 1248, nxpk= 15, iat=  -1, 238, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  61,  62,
 &end
#
#    3 ILE  HG1-         15 LEU  HN          4.50    (#   1249:15  Preassigned    2.94, 3.86 A)
 &rst
  ixpk= 1249, nxpk= 15, iat=  -1, 238, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  48,  49,
 &end
#
#   18 GLU  HN           17 VAL  HN          4.50    (#   1250:15  Preassigned    4.31, 4.32 A)
 &rst
  ixpk= 1250, nxpk= 15, iat= 288, 272, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    1 MET  HA           17 VAL  HN          5.50    (#   1251:15  Preassigned    4.83, 4.92 A)
 &rst
  ixpk= 1251, nxpk= 15, iat=   6, 272, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1252    17 VAL  HN          5.50    (#   1252:15  Single Ambig)
 &rst
  ixpk= 1252, nxpk= 15, iat=  -1, 272, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 245, 242, 243,
 &end
#
#   15 LEU  HB+          17 VAL  HN          5.50    (#   1253:15  Preassigned    5.71, 6.32 A)
 &rst
  ixpk= 1253, nxpk= 15, iat=  -1, 272, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 242, 243,
 &end
#
#    3 ILE  HG1+         17 VAL  HN          5.50    (#   1254:15  Preassigned    3.94, 4.18 A)
 &rst
  ixpk= 1254, nxpk= 15, iat=  -1, 272, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  48,  49,
 &end
#
#    0 AMB  15-3:1255    18 GLU  HN          5.50    (#   1255:15  Single Ambig)
 &rst
  ixpk= 1255, nxpk= 15, iat=  -1, 288, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  51,  52,  53,  44,  45,  46,
 &end
#
#    0 AMB  15-3:1256    18 GLU  HN          5.50    (#   1256:15  Single Ambig)
 &rst
  ixpk= 1256, nxpk= 15, iat=  -1, 288, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 460, 461, 245,
 &end
#
#    0 AMB  15-3:1257    18 GLU  HN          5.50    (#   1257:15  Single Ambig)
 &rst
  ixpk= 1257, nxpk= 15, iat=  -1, 288, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 893, 457, 458,
 &end
#
#    1 MET  HG-          18 GLU  HN          5.50    (#   1258:15  Unique         4.50, 5.34 A)
 &rst
  ixpk= 1258, nxpk= 15, iat=  -1, 288, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  11,  12,
 &end
#
#   29 LYS  HE+          18 GLU  HN          5.50    (#   1259:15  Preassigned    5.51, 6.31 A)
 &rst
  ixpk= 1259, nxpk= 15, iat=  -1, 288, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 463, 464,
 &end
#
#   17 VAL  HN           18 GLU  HN          4.50    (#   1260:15  Preassigned    4.31, 4.32 A)
 &rst
  ixpk= 1260, nxpk= 15, iat= 272, 288, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   21 ASP  HB-          20 SER  HN          4.50    (#   1261:15  Preassigned    3.83, 4.74 A)
 &rst
  ixpk= 1261, nxpk= 15, iat=  -1, 317, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 332, 333,
 &end
#
#   18 GLU  HG-          20 SER  HN          4.50    (#   1262:15  Unique         2.76, 4.10 A)
 &rst
  ixpk= 1262, nxpk= 15, iat=  -1, 317, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 295, 296,
 &end
#
#   56 LEU  HG           20 SER  HN          5.50    (#   1263:15  Preassigned    5.04, 5.18 A)
 &rst
  ixpk= 1263, nxpk= 15, iat= 893, 317, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   22 THR  HN           21 ASP  HN          4.50    (#   1264:15  Preassigned    4.55, 4.57 A)
 &rst
  ixpk= 1264, nxpk= 15, iat= 340, 328, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   71 LEU  HB-          72 ARG  HN          3.50    (#   1265:15  Preassigned    3.65, 4.16 A)
 &rst
  ixpk= 1265, nxpk= 15, iat=  -1,1151, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1136,1137,
 &end
#
#    0 AMB  15-3:1266    23 ILE  HN          4.50    (#   1266:15  Single Ambig)
 &rst
  ixpk= 1266, nxpk= 15, iat=  -1, 354, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 406, 821, 822, 920, 921, 380, 381,
 &end
#
#    0 AMB  15-3:1267    72 ARG  HN          4.50    (#   1267:15  Single Ambig)
 &rst
  ixpk= 1267, nxpk= 15, iat=  -1,1151, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 630, 631, 630, 631,
 &end
#
#   41 GLN  HA           72 ARG  HN          5.50    (#   1268:15  Unique         2.00, 2.10 A)
 &rst
  ixpk= 1268, nxpk= 15, iat= 642,1151, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1269    23 ILE  HN          5.50    (#   1269:15  Single Ambig)
 &rst
  ixpk= 1269, nxpk= 15, iat=  -1, 354, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 938, 397, 398,
 &end
#
#   69 LEU  HA           42 ARG  HN          7.00    (#   1270:15  Preassigned    5.79, 5.91 A)
 &rst
  ixpk= 1270, nxpk= 15, iat=1099, 657, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   30 ILE  HN           27 LYS  HN          5.50    (#   1271:15  Preassigned    4.91, 4.92 A)
 &rst
  ixpk= 1271, nxpk= 15, iat= 472, 418, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1272    27 LYS  HN          5.50    (#   1272:15  Single Ambig)
 &rst
  ixpk= 1272, nxpk= 15, iat=  -1, 418, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 442, 607, 452,
 &end
#
#   25 ASN  HB+          27 LYS  HN          5.50    (#   1273:15  Preassigned    5.51, 5.84 A)
 &rst
  ixpk= 1273, nxpk= 15, iat=  -1, 418, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 392, 393,
 &end
#
#   25 ASN  HB-          27 LYS  HN          5.50    (#   1274:15  Preassigned    5.51, 5.84 A)
 &rst
  ixpk= 1274, nxpk= 15, iat=  -1, 418, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 392, 393,
 &end
#
#   43 LEU  HB+          27 LYS  HN          5.50    (#   1275:15  Preassigned    5.64, 6.35 A)
 &rst
  ixpk= 1275, nxpk= 15, iat=  -1, 418, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 685, 686,
 &end
#
#   41 GLN  HE2+         28 ALA  HN          5.50    (#   1276:15  Preassigned    4.51, 5.15 A)
 &rst
  ixpk= 1276, nxpk= 15, iat=  -1, 440, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 652, 653,
 &end
#
#   41 GLN  HE2-         28 ALA  HN          5.50    (#   1277:15  Preassigned    4.51, 5.15 A)
 &rst
  ixpk= 1277, nxpk= 15, iat=  -1, 440, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 652, 653,
 &end
#
#   32 ASP  HB-          29 LYS  HN          5.50    (#   1278:15  Preassigned    5.32, 6.03 A)
 &rst
  ixpk= 1278, nxpk= 15, iat=  -1, 450, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 512, 513,
 &end
#
#    0 AMB  15-3:1279    29 LYS  HN          4.50    (#   1279:15  Single Ambig)
 &rst
  ixpk= 1279, nxpk= 15, iat=  -1, 450, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 512, 513, 392, 393,
 &end
#
#   32 ASP  HB-          30 ILE  HN          5.50    (#   1280:15  Preassigned    5.43, 5.97 A)
 &rst
  ixpk= 1280, nxpk= 15, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 512, 513,
 &end
#
#   32 ASP  HB+          30 ILE  HN          5.50    (#   1281:15  Preassigned    5.43, 5.97 A)
 &rst
  ixpk= 1281, nxpk= 15, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 512, 513,
 &end
#
#   33 LYS  HN           30 ILE  HN          5.50    (#   1282:15  Preassigned    4.79, 4.79 A)
 &rst
  ixpk= 1282, nxpk= 15, iat= 520, 472, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1283    31 GLN  HN          4.50    (#   1283:15  Single Ambig)
 &rst
  ixpk= 1283, nxpk= 15, iat=  -1, 491, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 454, 455, 549, 550,
 &end
#
#    0 AMB  15-3:1284    32 ASP  HN          7.00    (#   1284:15  Single Ambig)
 &rst
  ixpk= 1284, nxpk= 15, iat=  -1, 508, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 460, 461, 422, 423,
 &end
#
#   29 LYS  HB+          32 ASP  HN          4.50    (#   1285:15  Unique         5.15, 5.27 A)
 &rst
  ixpk= 1285, nxpk= 15, iat=  -1, 508, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 454, 455,
 &end
#
#   32 ASP  HB-          32 ASP  HN          2.80    (#   1286:15  Preassigned    2.14, 2.68 A)
 &rst
  ixpk= 1286, nxpk= 15, iat=  -1, 508, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 512, 513,
 &end
#
#   31 GLN  HE2+         32 ASP  HN          5.50    (#   1287:15  Preassigned    6.21, 6.25 A)
 &rst
  ixpk= 1287, nxpk= 15, iat=  -1, 508, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 503, 504,
 &end
#
#   36 ILE  HN           33 LYS  HN          5.50    (#   1288:15  Preassigned    5.04, 5.06 A)
 &rst
  ixpk= 1288, nxpk= 15, iat= 564, 520, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1289    34 GLU  HN          4.50    (#   1289:15  Single Ambig)
 &rst
  ixpk= 1289, nxpk= 15, iat=  -1, 542, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 211, 212, 213, 485, 486, 487,
 &end
#
#   32 ASP  HB+          34 GLU  HN          5.50    (#   1290:15  Preassigned    5.23, 5.34 A)
 &rst
  ixpk= 1290, nxpk= 15, iat=  -1, 542, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 512, 513,
 &end
#
#   31 GLN  HB+          35 GLY  HN          5.50    (#   1292:15  Preassigned    4.76, 4.88 A)
 &rst
  ixpk= 1292, nxpk= 15, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 495, 496,
 &end
#
#   34 GLU  HG-          35 GLY  HN          4.50    (#   1293:15  Preassigned    4.37, 4.81 A)
 &rst
  ixpk= 1293, nxpk= 15, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 549, 550,
 &end
#
#   36 ILE  QG2          35 GLY  HN          5.50    (#   1294:15  Preassigned    6.48, 6.80 A)
 &rst
  ixpk= 1294, nxpk= 15, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 570, 571, 572,
 &end
#
#   32 ASP  HN           36 ILE  HN          5.50    (#   1295:15  Preassigned    5.23, 5.27 A)
 &rst
  ixpk= 1295, nxpk= 15, iat= 508, 564, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   31 GLN  HE2+         39 ASP  HN          5.50    (#   1296:15  Preassigned    5.69, 6.45 A)
 &rst
  ixpk= 1296, nxpk= 15, iat=  -1, 611, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 503, 504,
 &end
#
#   37 PRO  HD-          39 ASP  HN          5.50    (#   1297:15  Preassigned    6.12, 6.28 A)
 &rst
  ixpk= 1297, nxpk= 15, iat=  -1, 611, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 584, 585,
 &end
#
#   71 LEU  QD+          40 GLN  HN          5.50    (#   1298:15  Unique         6.45, 7.58 A)
 &rst
  ixpk= 1298, nxpk= 15, iat=  -1, 623, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1141,1142,1143,1145,1146,1147,
 &end
#
#   41 GLN  HE2-         41 GLN  HN          5.50    (#   1299:15  Preassigned    4.61, 5.33 A)
 &rst
  ixpk= 1299, nxpk= 15, iat=  -1, 640, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 652, 653,
 &end
#
#    0 AMB  15-3:1300    41 GLN  HN          4.50    (#   1300:15  Single Ambig)
 &rst
  ixpk= 1300, nxpk= 15, iat=  -1, 640, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 630, 631, 630, 631, 590, 591,
 &end
#
#   42 ARG  HB+          42 ARG  HN          2.80    (#   1301:15  Preassigned    2.22, 2.64 A)
 &rst
  ixpk= 1301, nxpk= 15, iat=  -1, 657, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 661, 662,
 &end
#
#   72 ARG  HA           42 ARG  HN          5.50    (#   1302:15  Unique         3.01, 3.18 A)
 &rst
  ixpk= 1302, nxpk= 15, iat=1153, 657, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   71 LEU  HN           42 ARG  HN          4.50    (#   1303:15  Preassigned    3.49, 3.71 A)
 &rst
  ixpk= 1303, nxpk= 15, iat=1132, 657, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   49 GLN  HN           45 PHE  HN          4.50    (#   1304:15  Preassigned    4.16, 4.33 A)
 &rst
  ixpk= 1304, nxpk= 15, iat= 778, 719, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:1305    46 ALA  HN          4.50    (#   1305:15  Single Ambig)
 &rst
  ixpk= 1305, nxpk= 15, iat=  -1, 739, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 729, 733,
 &end
#
#   44 ILE  HA           47 GLY  HN          5.50    (#   1306:15  Preassigned    5.32, 5.47 A)
 &rst
  ixpk= 1306, nxpk= 15, iat= 702, 749, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   45 PHE  HB+          47 GLY  HN          5.50    (#   1310:15  Preassigned    5.43, 5.83 A)
 &rst
  ixpk= 1310, nxpk= 15, iat=  -1, 749, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 723, 724,
 &end
#
#   50 LEU  QD+          48 LYS  HN          5.50    (#   1312:15  Preassigned    4.67, 6.82 A)
 &rst
  ixpk= 1312, nxpk= 15, iat=  -1, 756, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 804, 805, 806, 808, 809, 810,
 &end
#
#   44 ILE  QG2          48 LYS  HN          3.50    (#   1313:15  Preassigned    2.84, 3.77 A)
 &rst
  ixpk= 1313, nxpk= 15, iat=  -1, 756, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 706, 707, 708,
 &end
#
#   46 ALA  QB           48 LYS  HN          4.50    (#   1314:15  Preassigned    3.70, 4.38 A)
 &rst
  ixpk= 1314, nxpk= 15, iat=  -1, 756, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 743, 744, 745,
 &end
#
#   45 PHE  HB-          48 LYS  HN          4.50    (#   1315:15  Preassigned    4.01, 4.66 A)
 &rst
  ixpk= 1315, nxpk= 15, iat=  -1, 756, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 723, 724,
 &end
#
#    0 AMB  15-3:1316    48 LYS  HN          5.50    (#   1316:15  Single Ambig)
 &rst
  ixpk= 1316, nxpk= 15, iat=  -1, 756, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 735, 727,
 &end
#
#   50 LEU  HA           49 GLN  HN          5.50    (#   1317:15  Preassigned    4.63, 5.19 A)
 &rst
  ixpk= 1317, nxpk= 15, iat= 797, 778, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1318    49 GLN  HN          5.50    (#   1318:15  Single Ambig)
 &rst
  ixpk= 1318, nxpk= 15, iat=  -1, 778, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 769, 770, 769, 770,
 &end
#
#   68 HIS  HN           50 LEU  HN          7.00    (#   1321:15  Preassigned    6.47, 6.64 A)
 &rst
  ixpk= 1321, nxpk= 15, iat=1080, 795, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   44 ILE  HN           50 LEU  HN          5.50    (#   1322:15  Preassigned    4.43, 4.54 A)
 &rst
  ixpk= 1322, nxpk= 15, iat= 700, 795, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   52 ASP  HA           51 GLU  HN          5.50    (#   1323:15  Preassigned    4.91, 5.00 A)
 &rst
  ixpk= 1323, nxpk= 15, iat= 831, 814, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    8 LEU  HA           69 LEU  HN          5.50    (#   1324:15  Preassigned    5.13, 5.24 A)
 &rst
  ixpk= 1324, nxpk= 15, iat= 131,1097, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   23 ILE  HG1-         51 GLU  HN          4.50    (#   1325:15  Unique         2.44, 2.84 A)
 &rst
  ixpk= 1325, nxpk= 15, iat=  -1, 814, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 364, 365,
 &end
#
#   52 ASP  HB+          52 ASP  HN          3.50    (#   1326:15  Preassigned    2.09, 2.90 A)
 &rst
  ixpk= 1326, nxpk= 15, iat=  -1, 829, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 833, 834,
 &end
#
#   51 GLU  HN           52 ASP  HN          4.50    (#   1327:15  Preassigned    4.32, 4.36 A)
 &rst
  ixpk= 1327, nxpk= 15, iat= 814, 829, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   23 ILE  HN           52 ASP  HN          7.00    (#   1328:15  Preassigned    5.75, 5.83 A)
 &rst
  ixpk= 1328, nxpk= 15, iat= 354, 829, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   55 THR  HA           54 ARG  HN          5.50    (#   1330:15  Preassigned    5.06, 5.19 A)
 &rst
  ixpk= 1330, nxpk= 15, iat= 874, 848, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   22 THR  HB           54 ARG  HN          4.50    (#   1331:15  Preassigned    4.46, 4.60 A)
 &rst
  ixpk= 1331, nxpk= 15, iat= 344, 848, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   51 GLU  HA           54 ARG  HN          5.50    (#   1332:15  Preassigned    4.46, 4.49 A)
 &rst
  ixpk= 1332, nxpk= 15, iat= 816, 848, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   59 TYR  HB+          55 THR  HN          5.50    (#   1333:15  Preassigned    5.92, 6.57 A)
 &rst
  ixpk= 1333, nxpk= 15, iat=  -1, 872, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 932, 933,
 &end
#
#    0 AMB  15-3:1334    56 LEU  HN          5.50    (#   1334:15  Single Ambig)
 &rst
  ixpk= 1334, nxpk= 15, iat=  -1, 886, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 936, 928,
 &end
#
#   22 THR  HB           56 LEU  HN          7.00    (#   1335:15  Preassigned    6.24, 6.27 A)
 &rst
  ixpk= 1335, nxpk= 15, iat= 344, 886, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   21 ASP  HB-          56 LEU  HN          5.50    (#   1336:15  Preassigned    4.22, 4.84 A)
 &rst
  ixpk= 1336, nxpk= 15, iat=  -1, 886, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 332, 333,
 &end
#
#   19 PRO  HB-          56 LEU  HN          5.50    (#   1337:15  Preassigned    6.04, 6.29 A)
 &rst
  ixpk= 1337, nxpk= 15, iat=  -1, 886, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 310, 311,
 &end
#
#   61 ILE  HB           56 LEU  HN          5.50    (#   1338:15  Preassigned    4.85, 4.90 A)
 &rst
  ixpk= 1338, nxpk= 15, iat= 967, 886, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   26 VAL  QG+          56 LEU  HN          4.50    (#   1339:15  Preassigned    4.35, 6.21 A)
 &rst
  ixpk= 1339, nxpk= 15, iat=  -1, 886, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 408, 409, 410, 412, 413, 414,
 &end
#
#    0 AMB  15-3:1341    57 SER  HN          4.50    (#   1341:15  Single Ambig)
 &rst
  ixpk= 1341, nxpk= 15, iat=  -1, 905, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=  15,  16,  17, 292, 293,
 &end
#
#   58 ASP  HB+          57 SER  HN          4.50    (#   1342:15  Preassigned    4.51, 5.02 A)
 &rst
  ixpk= 1342, nxpk= 15, iat=  -1, 905, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 920, 921,
 &end
#
#   57 SER  HB+          57 SER  HN          3.50    (#   1343:15  Preassigned    2.17, 2.91 A)
 &rst
  ixpk= 1343, nxpk= 15, iat=  -1, 905, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 909, 910,
 &end
#
#   20 SER  HA           57 SER  HN          4.50    (#   1344:15  Preassigned    3.56, 3.64 A)
 &rst
  ixpk= 1344, nxpk= 15, iat= 319, 905, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   55 THR  HN           57 SER  HN          5.50    (#   1345:15  Preassigned    5.24, 5.29 A)
 &rst
  ixpk= 1345, nxpk= 15, iat= 872, 905, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   59 TYR  HE1          58 ASP  HN          5.50    (#   1346:15  Preassigned    5.33, 5.43 A)
 &rst
  ixpk= 1346, nxpk= 15, iat= 938, 916, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   57 SER  HB+          58 ASP  HN          4.50    (#   1347:15  Preassigned    3.08, 3.54 A)
 &rst
  ixpk= 1347, nxpk= 15, iat=  -1, 916, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 909, 910,
 &end
#
#   59 TYR  HB+          58 ASP  HN          4.50    (#   1348:15  Preassigned    4.66, 5.40 A)
 &rst
  ixpk= 1348, nxpk= 15, iat=  -1, 916, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 932, 933,
 &end
#
#    0 AMB  15-3:1349    58 ASP  HN          5.50    (#   1349:15  Single Ambig)
 &rst
  ixpk= 1349, nxpk= 15, iat=  -1, 916, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 367, 368, 369, 895, 896, 897, 899, 900, 901,
 &end
#
#   61 ILE  QD1          58 ASP  HN          5.50    (#   1350:15  Preassigned    4.90, 6.05 A)
 &rst
  ixpk= 1350, nxpk= 15, iat=  -1, 916, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 976, 977, 978,
 &end
#
#   61 ILE  HB           59 TYR  HN          5.50    (#   1351:15  Preassigned    3.93, 3.96 A)
 &rst
  ixpk= 1351, nxpk= 15, iat= 967, 928, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   60 ASN  HA           59 TYR  HN          4.50    (#   1352:15  Preassigned    4.38, 4.42 A)
 &rst
  ixpk= 1352, nxpk= 15, iat= 951, 928, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   60 ASN  HD2+         59 TYR  HN          5.50    (#   1353:15  Preassigned    4.41, 5.91 A)
 &rst
  ixpk= 1353, nxpk= 15, iat=  -1, 928, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 958, 959,
 &end
#
#   61 ILE  HG1-         59 TYR  HN          5.50    (#   1354:15  Preassigned    3.99, 4.88 A)
 &rst
  ixpk= 1354, nxpk= 15, iat=  -1, 928, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 973, 974,
 &end
#
#   61 ILE  HG1-         60 ASN  HN          5.50    (#   1355:15  Preassigned    4.25, 5.20 A)
 &rst
  ixpk= 1355, nxpk= 15, iat=  -1, 949, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 973, 974,
 &end
#
#   57 SER  HN           60 ASN  HN          5.50    (#   1356:15  Preassigned    5.41, 5.44 A)
 &rst
  ixpk= 1356, nxpk= 15, iat= 905, 949, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   60 ASN  HD2+         60 ASN  HN          4.50    (#   1357:15  Preassigned    2.77, 3.82 A)
 &rst
  ixpk= 1357, nxpk= 15, iat=  -1, 949, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 958, 959,
 &end
#
#    0 AMB  15-3:1358    60 ASN  HN          5.50    (#   1358:15  Single Ambig)
 &rst
  ixpk= 1358, nxpk= 15, iat=  -1, 949, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 733, 731,
 &end
#
#   57 SER  HB+          60 ASN  HN          4.50    (#   1360:15  Preassigned    4.86, 5.30 A)
 &rst
  ixpk= 1360, nxpk= 15, iat=  -1, 949, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 909, 910,
 &end
#
#    1 MET  QE           61 ILE  HN          5.50    (#   1361:15  Preassigned    5.99, 6.85 A)
 &rst
  ixpk= 1361, nxpk= 15, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  15,  16,  17,
 &end
#
#   62 GLN  HG-          61 ILE  HN          5.50    (#   1362:15  Unique         3.83, 4.87 A)
 &rst
  ixpk= 1362, nxpk= 15, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 989, 990,
 &end
#
#   57 SER  HB+          61 ILE  HN          5.50    (#   1363:15  Preassigned    4.76, 5.40 A)
 &rst
  ixpk= 1363, nxpk= 15, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 909, 910,
 &end
#
#   45 PHE  HE2          61 ILE  HN          4.50    (#   1364:15  Preassigned    4.47, 4.59 A)
 &rst
  ixpk= 1364, nxpk= 15, iat= 733, 963, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    1 MET  HG+          63 LYS  HN          5.50    (#   1366:15  Unique         3.61, 4.22 A)
 &rst
  ixpk= 1366, nxpk= 15, iat=  -1, 999, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  11,  12,
 &end
#
#    2 GLN  HN           63 LYS  HN          5.50    (#   1367:15  Preassigned    5.45, 5.50 A)
 &rst
  ixpk= 1367, nxpk= 15, iat=  21, 999, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1368    65 SER  HN          5.50    (#   1368:15  Single Ambig)
 &rst
  ixpk= 1368, nxpk= 15, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1006,1007,1006,1007,
 &end
#
#    0 AMB  15-3:1369    65 SER  HN          4.50    (#   1369:15  Single Ambig)
 &rst
  ixpk= 1369, nxpk= 15, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=  15,  16,  17,  25,  26,
 &end
#
#    0 AMB  15-3:1370    65 SER  HN          4.50    (#   1370:15  Single Ambig)
 &rst
  ixpk= 1370, nxpk= 15, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1025,1026,  11,  12,
 &end
#
#   62 GLN  HA           65 SER  HN          7.00    (#   1371:15  Preassigned    6.61, 6.72 A)
 &rst
  ixpk= 1371, nxpk= 15, iat= 984,1036, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  15-3:1372    65 SER  HN          5.50    (#   1372:15  Single Ambig)
 &rst
  ixpk= 1372, nxpk= 15, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1049,  23,
 &end
#
#    0 AMB  15-3:1373    65 SER  HN          5.50    (#   1373:15  Single Ambig)
 &rst
  ixpk= 1373, nxpk= 15, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  67,  69,  71,
 &end
#
#    4 PHE  HD1          66 THR  HN          5.50    (#   1374:15  Preassigned    3.45, 3.91 A)
 &rst
  ixpk= 1374, nxpk= 15, iat=  65,1047, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   65 SER  HG           66 THR  HN          5.50    (#   1375:15  Unique         2.33, 3.20 A)
 &rst
  ixpk= 1375, nxpk= 15, iat=1043,1047, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    3 ILE  HA           66 THR  HN          5.50    (#   1376:15  Preassigned    5.56, 5.60 A)
 &rst
  ixpk= 1376, nxpk= 15, iat=  40,1047, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1377    66 THR  HN          5.50    (#   1377:15  Single Ambig)
 &rst
  ixpk= 1377, nxpk= 15, iat=  -1,1047, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 965,1023,
 &end
#
#    4 PHE  HB-          66 THR  HN          5.50    (#   1378:15  Preassigned    4.46, 5.52 A)
 &rst
  ixpk= 1378, nxpk= 15, iat=  -1,1047, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  61,  62,
 &end
#
#    4 PHE  HB+          66 THR  HN          5.50    (#   1379:15  Preassigned    4.46, 5.52 A)
 &rst
  ixpk= 1379, nxpk= 15, iat=  -1,1047, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  61,  62,
 &end
#
#    0 AMB  15-3:1380    66 THR  HN          5.50    (#   1380:15  Single Ambig)
 &rst
  ixpk= 1380, nxpk= 15, iat=  -1,1047, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1065,1066,  42,
 &end
#
#    0 AMB  15-3:1381    66 THR  HN          5.50    (#   1381:15  Single Ambig)
 &rst
  ixpk= 1381, nxpk= 15, iat=  -1,1047, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1065,1066,  97,  98,
 &end
#
#   44 ILE  HN           68 HIS  HN          3.50    (#   1382:15  Preassigned    2.74, 2.97 A)
 &rst
  ixpk= 1382, nxpk= 15, iat= 700,1080, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   68 HIS  HD2          68 HIS  HN          7.00    (#   1383:15  Preassigned    5.47, 5.68 A)
 &rst
  ixpk= 1383, nxpk= 15, iat=1093,1080, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   43 LEU  HA           68 HIS  HN          4.50    (#   1384:15  Preassigned    4.49, 4.56 A)
 &rst
  ixpk= 1384, nxpk= 15, iat= 683,1080, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    5 VAL  HA           68 HIS  HN          5.50    (#   1385:15  Preassigned    4.29, 4.39 A)
 &rst
  ixpk= 1385, nxpk= 15, iat=  79,1080, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1386    68 HIS  HN          5.50    (#   1386:15  Single Ambig)
 &rst
  ixpk= 1386, nxpk= 15, iat=  -1,1080, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  97,  98, 710, 711,
 &end
#
#   66 THR  QG2          68 HIS  HN          5.50    (#   1387:15  Preassigned    5.35, 6.42 A)
 &rst
  ixpk= 1387, nxpk= 15, iat=  -1,1080, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1053,1054,1055,
 &end
#
#   42 ARG  HN           72 ARG  HN          4.50    (#   1389:15  Unique         1.89, 1.96 A)
 &rst
  ixpk= 1389, nxpk= 15, iat= 657,1151, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   22 THR  HA           23 ILE  HN          3.50    (#   1390:15  Preassigned    2.20, 2.22 A)
 &rst
  ixpk= 1390, nxpk= 15, iat= 342, 354, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   40 GLN  HE2+         74 ARG  HN          7.00    (#   1392:15  Unique         2.49, 4.01 A)
 &rst
  ixpk= 1392, nxpk= 15, iat=  -1,1194, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 635, 636,
 &end
#
#    0 AMB  15-3:1393    75 GLY  HN          4.50    (#   1393:15  Single Ambig)
 &rst
  ixpk= 1393, nxpk= 15, iat=  -1,1218, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1198,1199,1179,1180,1155,1156,
 &end
#
#   76 GLY  HN           75 GLY  HN          5.50    (#   1395:15  Preassigned    1.90, 2.40 A)
 &rst
  ixpk= 1395, nxpk= 15, iat=1225,1218, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   75 GLY  HN           76 GLY  HN          4.50    (#   1396:15  Preassigned    1.90, 2.40 A)
 &rst
  ixpk= 1396, nxpk= 15, iat=1218,1225, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:1397    76 GLY  HN          5.50    (#   1397:15  Single Ambig)
 &rst
  ixpk= 1397, nxpk= 15, iat=  -1,1225, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1204,1205,1204,1205,
 &end
#
#   49 GLN  HB+          49 GLN  HN          2.80    (#   1483:15  Preassigned    2.07, 2.76 A)
 &rst
  ixpk= 1483, nxpk= 15, iat=  -1, 778, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 782, 783,
 &end
#
#   32 ASP  HB+          33 LYS  HN          3.50    (#   1484:15  Preassigned    3.41, 3.56 A)
 &rst
  ixpk= 1484, nxpk= 15, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 512, 513,
 &end
#
#  108   GLY      QA 108   GLY       H    3.50   (#           0:25)
 &rst
  ixpk= 0, nxpk= 25, iat=  -1,1742, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr1=1744,1745,
 &end
#
#  106   ARG      QG 106   ARG      QB    4.50   (#           1:25)
 &rst
  ixpk= 1, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1711,1712,
 igr2=1708,1709,
 &end
#
#  106   ARG      QG 106   ARG      QD    3.50   (#           2:25)
 &rst
  ixpk= 2, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1711,1712,
 igr2=1714,1715,
 &end
#
#  106   ARG      QG 106   ARG      HA    4.50   (#           3:25)
 &rst
  ixpk= 3, nxpk= 25, iat=  -1,1706, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1711,1712,
 &end
#
#  106   ARG      QG 106   ARG       H    5.50   (#           4:25)
 &rst
  ixpk= 4, nxpk= 25, iat=  -1,1704, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1711,1712,
 &end
#
#  106   ARG      QG 105   LYS      QG    5.50   (#           5:25)
 &rst
  ixpk= 5, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1711,1712,
 igr2=1689,1690,
 &end
#
#  106   ARG      QD 106   ARG      QB    4.50   (#           6:25)
 &rst
  ixpk= 6, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1714,1715,
 igr2=1708,1709,
 &end
#
#  106   ARG      QD 106   ARG      QG    4.50   (#           7:25)
 &rst
  ixpk= 7, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1714,1715,
 igr2=1711,1712,
 &end
#
#  106   ARG      QD 106   ARG      QG    4.50   (#           8:25)
 &rst
  ixpk= 8, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1714,1715,
 igr2=1711,1712,
 &end
#
#  106   ARG      QB 106   ARG      QD    3.50   (#           9:25)
 &rst
  ixpk= 9, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1708,1709,
 igr2=1714,1715,
 &end
#
#  106   ARG      QB 106   ARG      HA    3.50   (#          10:25)
 &rst
  ixpk= 10, nxpk= 25, iat=  -1,1706, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1708,1709,
 &end
#
#  106   ARG      QB 106   ARG       H    3.50   (#          11:25)
 &rst
  ixpk= 11, nxpk= 25, iat=  -1,1704, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1708,1709,
 &end
#
#  106   ARG      QB 103   GLU      HA    4.50   (#          12:25)
 &rst
  ixpk= 12, nxpk= 25, iat=  -1,1645, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1708,1709,
 &end
#
#  106   ARG      HA 107   THR       H    4.50   (#          13:25)
 &rst
  ixpk= 13, nxpk= 25, iat=1706,1728, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  106   ARG      HA 106   ARG       H    4.50   (#          14:25)
 &rst
  ixpk= 14, nxpk= 25, iat=1706,1704, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  106   ARG      HA 104   TRP      HA    7.00   (#          15:25)
 &rst
  ixpk= 15, nxpk= 25, iat=1706,1660, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  106   ARG      HA 106   ARG      QD    4.50   (#          17:25)
 &rst
  ixpk= 17, nxpk= 25, iat=1706,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1714,1715,
 &end
#
#  106   ARG      HA 106   ARG      QB    3.50   (#          18:25)
 &rst
  ixpk= 18, nxpk= 25, iat=1706,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1708,1709,
 &end
#
#  106   ARG      HA 106   ARG      QG    4.50   (#          19:25)
 &rst
  ixpk= 19, nxpk= 25, iat=1706,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1711,1712,
 &end
#
#  106   ARG      HA 106   ARG      QG    4.50   (#          20:25)
 &rst
  ixpk= 20, nxpk= 25, iat=1706,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1711,1712,
 &end
#
#  105   LYS      QG 105   LYS       H    5.50   (#          21:25)
 &rst
  ixpk= 21, nxpk= 25, iat=  -1,1682, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1689,1690,
 &end
#
#  105   LYS      QG 105   LYS      HA    4.50   (#          22:25)
 &rst
  ixpk= 22, nxpk= 25, iat=  -1,1684, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1689,1690,
 &end
#
#  105   LYS      QG 105   LYS      QE    4.50   (#          23:25)
 &rst
  ixpk= 23, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1689,1690,
 igr2=1695,1696,
 &end
#
#  105   LYS      QG 105   LYS      QB    3.50   (#          24:25)
 &rst
  ixpk= 24, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1689,1690,
 igr2=1686,1687,
 &end
#
#  105   LYS      QG 105   LYS      QD    3.50   (#          25:25)
 &rst
  ixpk= 25, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1689,1690,
 igr2=1692,1693,
 &end
#
#  105   LYS      QE 105   LYS      QD    3.50   (#          26:25)
 &rst
  ixpk= 26, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1695,1696,
 igr2=1692,1693,
 &end
#
#  105   LYS      QE 105   LYS      QG    4.50   (#          27:25)
 &rst
  ixpk= 27, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1695,1696,
 igr2=1689,1690,
 &end
#
#  105   LYS      QE 105   LYS      QB    5.50   (#          28:25)
 &rst
  ixpk= 28, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1695,1696,
 igr2=1686,1687,
 &end
#
#  105   LYS      QD 105   LYS      QG    2.80   (#          30:25)
 &rst
  ixpk= 30, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1692,1693,
 igr2=1689,1690,
 &end
#
#  105   LYS      QD 105   LYS      QB    3.50   (#          31:25)
 &rst
  ixpk= 31, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1692,1693,
 igr2=1686,1687,
 &end
#
#  105   LYS      QD 105   LYS      QE    3.50   (#          32:25)
 &rst
  ixpk= 32, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1692,1693,
 igr2=1695,1696,
 &end
#
#  105   LYS      QD 103   GLU      HA    7.00   (#          33:25)
 &rst
  ixpk= 33, nxpk= 25, iat=  -1,1645, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1692,1693,
 &end
#
#  105   LYS      QD 105   LYS      HA    4.50   (#          34:25)
 &rst
  ixpk= 34, nxpk= 25, iat=  -1,1684, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1692,1693,
 &end
#
#  105   LYS      QD 105   LYS       H    5.50   (#          35:25)
 &rst
  ixpk= 35, nxpk= 25, iat=  -1,1682, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1692,1693,
 &end
#
#  105   LYS      QB 105   LYS      QD    3.50   (#          38:25)
 &rst
  ixpk= 38, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1686,1687,
 igr2=1692,1693,
 &end
#
#  105   LYS      QB 105   LYS      QG    3.50   (#          39:25)
 &rst
  ixpk= 39, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1686,1687,
 igr2=1689,1690,
 &end
#
#   86   PRO      QB  86   PRO      HA    3.50   (#          40:25)
 &rst
  ixpk= 40, nxpk= 25, iat=  -1,1374, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1371,1372,
 &end
#
#  105   LYS      QB 102   ALA      HA    4.50   (#          41:25)
 &rst
  ixpk= 41, nxpk= 25, iat=  -1,1635, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1686,1687,
 &end
#
#  105   LYS      QB 105   LYS      HA    3.50   (#          42:25)
 &rst
  ixpk= 42, nxpk= 25, iat=  -1,1684, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1686,1687,
 &end
#
#  105   LYS      QB 105   LYS       H    3.50   (#          43:25)
 &rst
  ixpk= 43, nxpk= 25, iat=  -1,1682, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1686,1687,
 &end
#
#  105   LYS      HA 105   LYS       H    3.50   (#          44:25)
 &rst
  ixpk= 44, nxpk= 25, iat=1684,1682, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  105   LYS      HA 104   TRP      HA    5.50   (#          45:25)
 &rst
  ixpk= 45, nxpk= 25, iat=1684,1660, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  105   LYS      HA 105   LYS      QB    3.50   (#          46:25)
 &rst
  ixpk= 46, nxpk= 25, iat=1684,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1686,1687,
 &end
#
#  105   LYS      HA 105   LYS      QD    4.50   (#          47:25)
 &rst
  ixpk= 47, nxpk= 25, iat=1684,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1692,1693,
 &end
#
#  105   LYS      HA 105   LYS      QG    4.50   (#          48:25)
 &rst
  ixpk= 48, nxpk= 25, iat=1684,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1689,1690,
 &end
#
#   79   MET      HA  80   PHE       H    3.50   (#          49:25)
 &rst
  ixpk= 49, nxpk= 25, iat=1261,1276, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   79   MET      HA  79   MET      QB    3.50   (#          54:25)
 &rst
  ixpk= 54, nxpk= 25, iat=1261,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1263,1264,
 &end
#
#   81   PRO      QB  81   PRO      HA    4.50   (#          55:25)
 &rst
  ixpk= 55, nxpk= 25, iat=  -1,1306, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1303,1304,
 &end
#
#   81   PRO      QB  81   PRO      QG    4.50   (#          56:25)
 &rst
  ixpk= 56, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1303,1304,
 igr2=1300,1301,
 &end
#
#   81   PRO      QD  80   PHE      HA    4.50   (#          57:25)
 &rst
  ixpk= 57, nxpk= 25, iat=  -1,1278, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1297,1298,
 &end
#
#   81   PRO      QG  81   PRO      QB    4.50   (#          58:25)
 &rst
  ixpk= 58, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1300,1301,
 igr2=1303,1304,
 &end
#
#   82   SER      HA  82   SER      QB    3.50   (#          60:25)
 &rst
  ixpk= 60, nxpk= 25, iat=1312,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1314,1315,
 &end
#
#   82   SER      HA  81   PRO      HA    5.50   (#          61:25)
 &rst
  ixpk= 61, nxpk= 25, iat=1312,1306, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   83   ASP      HA  83   ASP       H    3.50   (#          62:25)
 &rst
  ixpk= 62, nxpk= 25, iat=1323,1321, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   83   ASP      HA  84   ILE       H    4.50   (#          63:25)
 &rst
  ixpk= 63, nxpk= 25, iat=1323,1333, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   83   ASP      HA  83   ASP      QB    3.50   (#          64:25)
 &rst
  ixpk= 64, nxpk= 25, iat=1323,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1325,1326,
 &end
#
#   83   ASP      HA  83   ASP      QB    3.50   (#          65:25)
 &rst
  ixpk= 65, nxpk= 25, iat=1323,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1325,1326,
 &end
#
#   83   ASP      QB  81   PRO      QG    4.50   (#          66:25)
 &rst
  ixpk= 66, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1325,1326,
 igr2=1300,1301,
 &end
#
#   83   ASP      QB  83   ASP      HA    3.50   (#          67:25)
 &rst
  ixpk= 67, nxpk= 25, iat=  -1,1323, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1325,1326,
 &end
#
#   83   ASP      QB  83   ASP       H    4.50   (#          68:25)
 &rst
  ixpk= 68, nxpk= 25, iat=  -1,1321, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1325,1326,
 &end
#
#   83   ASP      QB  81   PRO      QG    5.50   (#          69:25)
 &rst
  ixpk= 69, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1325,1326,
 igr2=1300,1301,
 &end
#
#   83   ASP      QB  83   ASP      HA    3.50   (#          70:25)
 &rst
  ixpk= 70, nxpk= 25, iat=  -1,1323, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1325,1326,
 &end
#
#   83   ASP      QB  83   ASP       H    4.50   (#          71:25)
 &rst
  ixpk= 71, nxpk= 25, iat=  -1,1321, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1325,1326,
 &end
#
#   84   ILE      HA  83   ASP      HA    4.50   (#          72:25)
 &rst
  ixpk= 72, nxpk= 25, iat=1335,1323, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   84   ILE      HA  84   ILE       H    4.50   (#          73:25)
 &rst
  ixpk= 73, nxpk= 25, iat=1335,1333, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   84   ILE      HA  85   ASP       H    4.50   (#          74:25)
 &rst
  ixpk= 74, nxpk= 25, iat=1335,1352, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   84   ILE      HA  84   ILE     QG2    3.50   (#          75:25)
 &rst
  ixpk= 75, nxpk= 25, iat=1335,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1339,1340,1341,
 &end
#
#   84   ILE      HB  84   ILE     QG1    4.50   (#          76:25)
 &rst
  ixpk= 76, nxpk= 25, iat=1337,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1343,1344,
 &end
#
#   84   ILE      HB  84   ILE     QG2    4.50   (#          77:25)
 &rst
  ixpk= 77, nxpk= 25, iat=1337,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1339,1340,1341,
 &end
#
#   84   ILE      HB  84   ILE       H    4.50   (#          78:25)
 &rst
  ixpk= 78, nxpk= 25, iat=1337,1333, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   87   GLN      HA  87   GLN      QB    2.80   (#          79:25)
 &rst
  ixpk= 79, nxpk= 25, iat=1380,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1382,1383,
 &end
#
#   87   GLN      HA  87   GLN      QG    4.50   (#          80:25)
 &rst
  ixpk= 80, nxpk= 25, iat=1380,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1385,1386,
 &end
#
#   87   GLN      HA  88   VAL       H    4.50   (#          81:25)
 &rst
  ixpk= 81, nxpk= 25, iat=1380,1395, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   87   GLN      HA  87   GLN       H    4.50   (#          82:25)
 &rst
  ixpk= 82, nxpk= 25, iat=1380,1378, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  103   GLU      HA 103   GLU      QG    3.50   (#          83:25)
 &rst
  ixpk= 83, nxpk= 25, iat=1645,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1650,1651,
 &end
#
#  103   GLU      HA 103   GLU      QB    3.50   (#          84:25)
 &rst
  ixpk= 84, nxpk= 25, iat=1645,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1647,1648,
 &end
#
#  103   GLU      HA 103   GLU       H    4.50   (#          85:25)
 &rst
  ixpk= 85, nxpk= 25, iat=1645,1643, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   94   GLU      HA  94   GLU      QG    4.50   (#          86:25)
 &rst
  ixpk= 86, nxpk= 25, iat=1502,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1507,1508,
 &end
#
#   94   GLU      HA  94   GLU      QB    3.50   (#          87:25)
 &rst
  ixpk= 87, nxpk= 25, iat=1502,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1504,1505,
 &end
#
#   94   GLU      HA  93   PRO      QG    5.50   (#          88:25)
 &rst
  ixpk= 88, nxpk= 25, iat=1502,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1490,1491,
 &end
#
#   94   GLU      HA  98   LYS       H    5.50   (#          89:25)
 &rst
  ixpk= 89, nxpk= 25, iat=1502,1558, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   94   GLU      HA  97   GLN     QE2    5.50   (#          90:25)
 &rst
  ixpk= 90, nxpk= 25, iat=1502,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1553,1554,
 &end
#
#   94   GLU      HA  96   VAL       H    5.50   (#          91:25)
 &rst
  ixpk= 91, nxpk= 25, iat=1502,1525, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   93   PRO      QB  93   PRO      QG    3.50   (#          93:25)
 &rst
  ixpk= 93, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1493,1494,
 igr2=1490,1491,
 &end
#
#   93   PRO      QB  96   VAL     QQG    4.50   (#          95:25)
 &rst
  ixpk= 95, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1493,1494,
 igr2=1531,1532,1533,1535,1536,1537,
 &end
#
#   92   LEU      HG  92   LEU     QQD    3.50   (#          96:25)
 &rst
  ixpk= 96, nxpk= 25, iat=1474,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1476,1477,1478,1480,1481,1482,
 &end
#
#   92   LEU      HG  92   LEU      QB    3.50   (#          97:25)
 &rst
  ixpk= 97, nxpk= 25, iat=1474,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1471,1472,
 &end
#
#   92   LEU      HG  88   VAL     QQG    5.50   (#          98:25)
 &rst
  ixpk= 98, nxpk= 25, iat=1474,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#   92   LEU      HG  92   LEU      QB    4.50   (#          99:25)
 &rst
  ixpk= 99, nxpk= 25, iat=1474,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1471,1472,
 &end
#
#   92   LEU      HG  93   PRO      QG    4.50   (#         100:25)
 &rst
  ixpk= 100, nxpk= 25, iat=1474,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1490,1491,
 &end
#
#   92   LEU      HG  89   PHE      HA    4.50   (#         101:25)
 &rst
  ixpk= 101, nxpk= 25, iat=1474,1413, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   92   LEU      HG  92   LEU      HA    5.50   (#         102:25)
 &rst
  ixpk= 102, nxpk= 25, iat=1474,1469, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   92   LEU      HG  92   LEU       H    4.50   (#         103:25)
 &rst
  ixpk= 103, nxpk= 25, iat=1474,1467, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   92   LEU     QQD  89   PHE      QD    5.50   (#         104:25)
 &rst
  ixpk= 104, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1476,1477,1478,1480,1481,1482,
 igr2=1419,1427,
 &end
#
#   92   LEU      HG  96   VAL       H    7.00   (#         105:25)
 &rst
  ixpk= 105, nxpk= 25, iat=1474,1525, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   92   LEU      HA  93   PRO      QD    4.50   (#         106:25)
 &rst
  ixpk= 106, nxpk= 25, iat=1469,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1487,1488,
 &end
#
#   92   LEU      HA  92   LEU       H    5.50   (#         107:25)
 &rst
  ixpk= 107, nxpk= 25, iat=1469,1467, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   92   LEU      HA  93   PRO      QD    4.50   (#         108:25)
 &rst
  ixpk= 108, nxpk= 25, iat=1469,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1487,1488,
 &end
#
#   92   LEU      HA  93   PRO      QG    5.50   (#         109:25)
 &rst
  ixpk= 109, nxpk= 25, iat=1469,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1490,1491,
 &end
#
#   92   LEU      HA  92   LEU      QB    5.50   (#         110:25)
 &rst
  ixpk= 110, nxpk= 25, iat=1469,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1471,1472,
 &end
#
#   81   PRO      QB  81   PRO      QG    4.50   (#         111:25)
 &rst
  ixpk= 111, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1303,1304,
 igr2=1300,1301,
 &end
#
#   81   PRO      QB  81   PRO      QG    4.50   (#         112:25)
 &rst
  ixpk= 112, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1303,1304,
 igr2=1300,1301,
 &end
#
#   81   PRO      QB  83   ASP      QB    5.50   (#         113:25)
 &rst
  ixpk= 113, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1303,1304,
 igr2=1325,1326,
 &end
#
#   82   SER      HA  84   ILE       H    5.50   (#         114:25)
 &rst
  ixpk= 114, nxpk= 25, iat=1312,1333, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   83   ASP      HA  81   PRO      QG    5.50   (#         115:25)
 &rst
  ixpk= 115, nxpk= 25, iat=1323,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1300,1301,
 &end
#
#   84   ILE      HB  83   ASP      QB    5.50   (#         116:25)
 &rst
  ixpk= 116, nxpk= 25, iat=1337,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1325,1326,
 &end
#
#   84   ILE      HB  84   ILE      HA    5.50   (#         117:25)
 &rst
  ixpk= 117, nxpk= 25, iat=1337,1335, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   84   ILE      HB  84   ILE     QG1    4.50   (#         118:25)
 &rst
  ixpk= 118, nxpk= 25, iat=1337,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1343,1344,
 &end
#
#   82   SER      HA  82   SER       H    3.50   (#         119:25)
 &rst
  ixpk= 119, nxpk= 25, iat=1312,1310, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  108   GLY      QA 106   ARG      QB    7.00   (#         120:25)
 &rst
  ixpk= 120, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1744,1745,
 igr2=1708,1709,
 &end
#
#  107   THR      HA 107   THR     QG2    3.50   (#         121:25)
 &rst
  ixpk= 121, nxpk= 25, iat=1730,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1734,1735,1736,
 &end
#
#   88   VAL      HA  88   VAL     QQG    3.50   (#         122:25)
 &rst
  ixpk= 122, nxpk= 25, iat=1397,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#   88   VAL      HB  88   VAL      HA    3.50   (#         123:25)
 &rst
  ixpk= 123, nxpk= 25, iat=1399,1397, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   88   VAL      HB   8   LEU      HA    5.50   (#         124:25)
 &rst
  ixpk= 124, nxpk= 25, iat=1399, 131, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   88   VAL      HB  88   VAL       H    4.50   (#         125:25)
 &rst
  ixpk= 125, nxpk= 25, iat=1399,1395, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   88   VAL      HB  89   PHE       H    5.50   (#         126:25)
 &rst
  ixpk= 126, nxpk= 25, iat=1399,1411, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   88   VAL      HB  88   VAL     QQG    3.50   (#         128:25)
 &rst
  ixpk= 128, nxpk= 25, iat=1399,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#   83   ASP      QB  80   PHE       H    5.50   (#         129:25)
 &rst
  ixpk= 129, nxpk= 25, iat=  -1,1276, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1325,1326,
 &end
#
#   89   PHE      QB  89   PHE       H    5.50   (#         130:25)
 &rst
  ixpk= 130, nxpk= 25, iat=  -1,1411, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1415,1416,
 &end
#
#   83   ASP      QB  81   PRO      QG    4.50   (#         132:25)
 &rst
  ixpk= 132, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1325,1326,
 igr2=1300,1301,
 &end
#
#   89   PHE      QB  84   ILE      HB    5.50   (#         133:25)
 &rst
  ixpk= 133, nxpk= 25, iat=  -1,1337, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1415,1416,
 &end
#
#   89   PHE      QB  84   ILE     QG2    7.00   (#         134:25)
 &rst
  ixpk= 134, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1415,1416,
 igr2=1339,1340,1341,
 &end
#
#   80   PHE      QB  84   ILE      HB    4.50   (#         135:25)
 &rst
  ixpk= 135, nxpk= 25, iat=  -1,1337, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1280,1281,
 &end
#
#   80   PHE      QB  84   ILE     QD1    4.50   (#         136:25)
 &rst
  ixpk= 136, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1280,1281,
 igr2=1346,1347,1348,
 &end
#
#   90   TYR      HA  90   TYR       H    5.50   (#         141:25)
 &rst
  ixpk= 141, nxpk= 25, iat=1433,1431, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   90   TYR      HA  91   GLU       H    5.50   (#         142:25)
 &rst
  ixpk= 142, nxpk= 25, iat=1433,1452, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   90   TYR      HA  90   TYR      QD    3.50   (#         143:25)
 &rst
  ixpk= 143, nxpk= 25, iat=1433,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1439,1448,
 &end
#
#   90   TYR      HA  92   LEU       H    4.50   (#         144:25)
 &rst
  ixpk= 144, nxpk= 25, iat=1433,1467, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   90   TYR      HA  90   TYR      QE    5.50   (#         145:25)
 &rst
  ixpk= 145, nxpk= 25, iat=1433,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1441,1446,
 &end
#
#   90   TYR      HA  97   GLN     QE2    5.50   (#         146:25)
 &rst
  ixpk= 146, nxpk= 25, iat=1433,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1553,1554,
 &end
#
#   90   TYR      HA  90   TYR      QB    4.50   (#         148:25)
 &rst
  ixpk= 148, nxpk= 25, iat=1433,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1435,1436,
 &end
#
#   90   TYR      HA  90   TYR      QB    4.50   (#         149:25)
 &rst
  ixpk= 149, nxpk= 25, iat=1433,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1435,1436,
 &end
#
#   90   TYR      QB  90   TYR      QD    5.50   (#         150:25)
 &rst
  ixpk= 150, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1435,1436,
 igr2=1439,1448,
 &end
#
#   90   TYR      QB  90   TYR       H    4.50   (#         151:25)
 &rst
  ixpk= 151, nxpk= 25, iat=  -1,1431, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1435,1436,
 &end
#
#   90   TYR      QB  90   TYR      HA    4.50   (#         152:25)
 &rst
  ixpk= 152, nxpk= 25, iat=  -1,1433, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1435,1436,
 &end
#
#   91   GLU      HA  92   LEU       H    5.50   (#         153:25)
 &rst
  ixpk= 153, nxpk= 25, iat=1454,1467, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   91   GLU      HA  91   GLU       H    4.50   (#         154:25)
 &rst
  ixpk= 154, nxpk= 25, iat=1454,1452, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   91   GLU      HA  91   GLU      QG    4.50   (#         155:25)
 &rst
  ixpk= 155, nxpk= 25, iat=1454,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1459,1460,
 &end
#
#   91   GLU      HA  91   GLU      QG    3.50   (#         156:25)
 &rst
  ixpk= 156, nxpk= 25, iat=1454,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1459,1460,
 &end
#
#   91   GLU      HA  91   GLU      QB    4.50   (#         157:25)
 &rst
  ixpk= 157, nxpk= 25, iat=1454,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1456,1457,
 &end
#
#   91   GLU      HA  91   GLU      QB    3.50   (#         158:25)
 &rst
  ixpk= 158, nxpk= 25, iat=1454,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1456,1457,
 &end
#
#   93   PRO      QD  92   LEU      HA    4.50   (#         159:25)
 &rst
  ixpk= 159, nxpk= 25, iat=  -1,1469, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1487,1488,
 &end
#
#   93   PRO      QD  93   PRO      QG    4.50   (#         161:25)
 &rst
  ixpk= 161, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1487,1488,
 igr2=1490,1491,
 &end
#
#   93   PRO      QD  92   LEU      QB    4.50   (#         162:25)
 &rst
  ixpk= 162, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1487,1488,
 igr2=1471,1472,
 &end
#
#   93   PRO      QD  92   LEU     QQD    4.50   (#         163:25)
 &rst
  ixpk= 163, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1487,1488,
 igr2=1476,1477,1478,1480,1481,1482,
 &end
#
#   93   PRO      QD  93   PRO      QB    3.50   (#         164:25)
 &rst
  ixpk= 164, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1487,1488,
 igr2=1493,1494,
 &end
#
#   93   PRO      QG  93   PRO      QG    2.80   (#         165:25)
#This appears to be self-referential: ignoring
#
#   93   PRO      QG  96   VAL     QQG    4.50   (#         166:25)
 &rst
  ixpk= 166, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1490,1491,
 igr2=1531,1532,1533,1535,1536,1537,
 &end
#
#   93   PRO      QG  92   LEU     QQD    4.50   (#         167:25)
 &rst
  ixpk= 167, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1490,1491,
 igr2=1476,1477,1478,1480,1481,1482,
 &end
#
#   93   PRO      QG  93   PRO      QB    3.50   (#         168:25)
 &rst
  ixpk= 168, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1490,1491,
 igr2=1493,1494,
 &end
#
#   93   PRO      QG  93   PRO      QB    3.50   (#         169:25)
 &rst
  ixpk= 169, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1490,1491,
 igr2=1493,1494,
 &end
#
#   93   PRO      QG  93   PRO      QD    4.50   (#         170:25)
 &rst
  ixpk= 170, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1490,1491,
 igr2=1487,1488,
 &end
#
#   93   PRO      QG  97   GLN      HA    5.50   (#         171:25)
 &rst
  ixpk= 171, nxpk= 25, iat=  -1,1543, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1490,1491,
 &end
#
#   93   PRO      QG  93   PRO      QD    5.50   (#         172:25)
 &rst
  ixpk= 172, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1490,1491,
 igr2=1487,1488,
 &end
#
#   93   PRO      QG  92   LEU      QB    5.50   (#         173:25)
 &rst
  ixpk= 173, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1490,1491,
 igr2=1471,1472,
 &end
#
#   93   PRO      QG  92   LEU     QQD    4.50   (#         174:25)
 &rst
  ixpk= 174, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1490,1491,
 igr2=1476,1477,1478,1480,1481,1482,
 &end
#
#   81   PRO      HA  82   SER       H    4.50   (#         175:25)
 &rst
  ixpk= 175, nxpk= 25, iat=1306,1310, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   82   SER       H  81   PRO      HA    4.50   (#         175:25)
 &rst
  ixpk= 175, nxpk= 25, iat=1310,1306, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   82   SER      QB  82   SER      HA    3.50   (#         176:25)
 &rst
  ixpk= 176, nxpk= 25, iat=  -1,1312, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1314,1315,
 &end
#
#   82   SER      QB  82   SER       H    4.50   (#         177:25)
 &rst
  ixpk= 177, nxpk= 25, iat=  -1,1310, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1314,1315,
 &end
#
#   83   ASP      QB  79   MET      HA    7.00   (#         181:25)
 &rst
  ixpk= 181, nxpk= 25, iat=  -1,1261, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1325,1326,
 &end
#
#   79   MET      QB  79   MET      HA    4.50   (#         182:25)
 &rst
  ixpk= 182, nxpk= 25, iat=  -1,1261, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1263,1264,
 &end
#
#   79   MET      QB  79   MET      HA    4.50   (#         184:25)
 &rst
  ixpk= 184, nxpk= 25, iat=  -1,1261, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1263,1264,
 &end
#
#   81   PRO      QB  81   PRO      HA    4.50   (#         185:25)
 &rst
  ixpk= 185, nxpk= 25, iat=  -1,1306, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1303,1304,
 &end
#
#   81   PRO      QB  81   PRO      QG    4.50   (#         186:25)
 &rst
  ixpk= 186, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1303,1304,
 igr2=1300,1301,
 &end
#
#   81   PRO      QB  82   SER       H    5.50   (#         187:25)
 &rst
  ixpk= 187, nxpk= 25, iat=  -1,1310, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1303,1304,
 &end
#
#   81   PRO      QD  83   ASP      QB    5.50   (#         188:25)
 &rst
  ixpk= 188, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1297,1298,
 igr2=1325,1326,
 &end
#
#   81   PRO      QD  81   PRO      QG    5.50   (#         189:25)
 &rst
  ixpk= 189, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1297,1298,
 igr2=1300,1301,
 &end
#
#   81   PRO      QD  81   PRO      QG    4.50   (#         190:25)
 &rst
  ixpk= 190, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1297,1298,
 igr2=1300,1301,
 &end
#
#   81   PRO      QD  83   ASP      QB    5.50   (#         191:25)
 &rst
  ixpk= 191, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1297,1298,
 igr2=1325,1326,
 &end
#
#   81   PRO      QD  80   PHE      HA    4.50   (#         192:25)
 &rst
  ixpk= 192, nxpk= 25, iat=  -1,1278, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1297,1298,
 &end
#
#   81   PRO      QD  81   PRO      QG    5.50   (#         194:25)
 &rst
  ixpk= 194, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1297,1298,
 igr2=1300,1301,
 &end
#
#   81   PRO      QD  81   PRO      QG    4.50   (#         195:25)
 &rst
  ixpk= 195, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1297,1298,
 igr2=1300,1301,
 &end
#
#   81   PRO      QD  84   ILE     QG2    5.50   (#         196:25)
 &rst
  ixpk= 196, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1297,1298,
 igr2=1339,1340,1341,
 &end
#
#   81   PRO      QG  84   ILE     QG2    5.50   (#         197:25)
 &rst
  ixpk= 197, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1300,1301,
 igr2=1339,1340,1341,
 &end
#
#   81   PRO      QG  81   PRO      QB    3.50   (#         198:25)
 &rst
  ixpk= 198, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1300,1301,
 igr2=1303,1304,
 &end
#
#   81   PRO      QG  81   PRO      QD    4.50   (#         199:25)
 &rst
  ixpk= 199, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1300,1301,
 igr2=1297,1298,
 &end
#
#  100   LEU     QQD 100   LEU      HA    3.50   (#         200:25)
 &rst
  ixpk= 200, nxpk= 25, iat=  -1,1597, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1604,1605,1606,1608,1609,1610,
 &end
#
#   81   PRO      QG  81   PRO      HA    7.00   (#         201:25)
 &rst
  ixpk= 201, nxpk= 25, iat=  -1,1306, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1300,1301,
 &end
#
#   81   PRO      QG  83   ASP      HA    5.50   (#         202:25)
 &rst
  ixpk= 202, nxpk= 25, iat=  -1,1323, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1300,1301,
 &end
#
#   81   PRO      QG  84   ILE     QG2    5.50   (#         204:25)
 &rst
  ixpk= 204, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1300,1301,
 igr2=1339,1340,1341,
 &end
#
#   81   PRO      QG  81   PRO      QD    4.50   (#         205:25)
 &rst
  ixpk= 205, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1300,1301,
 igr2=1297,1298,
 &end
#
#   81   PRO      QG  81   PRO      HA    5.50   (#         206:25)
 &rst
  ixpk= 206, nxpk= 25, iat=  -1,1306, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1300,1301,
 &end
#
#   81   PRO      QG  83   ASP      HA    5.50   (#         207:25)
 &rst
  ixpk= 207, nxpk= 25, iat=  -1,1323, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1300,1301,
 &end
#
#   82   SER      HA  83   ASP      HA    5.50   (#         208:25)
 &rst
  ixpk= 208, nxpk= 25, iat=1312,1323, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   84   ILE     QG1  81   PRO      QG    5.50   (#         209:25)
 &rst
  ixpk= 209, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1343,1344,
 igr2=1300,1301,
 &end
#
#   84   ILE     QG1  84   ILE     QG2    3.50   (#         210:25)
 &rst
  ixpk= 210, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1343,1344,
 igr2=1339,1340,1341,
 &end
#
#   84   ILE     QG1  84   ILE      HB    4.50   (#         211:25)
 &rst
  ixpk= 211, nxpk= 25, iat=  -1,1337, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1343,1344,
 &end
#
#   84   ILE     QG1  84   ILE       H    5.50   (#         212:25)
 &rst
  ixpk= 212, nxpk= 25, iat=  -1,1333, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1343,1344,
 &end
#
#   88   VAL      HA  88   VAL      HB    4.50   (#         213:25)
 &rst
  ixpk= 213, nxpk= 25, iat=1397,1399, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   86   PRO      HA  86   PRO      QB    3.50   (#         214:25)
 &rst
  ixpk= 214, nxpk= 25, iat=1374,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1371,1372,
 &end
#
#   86   PRO      QB  87   GLN       H    5.50   (#         215:25)
 &rst
  ixpk= 215, nxpk= 25, iat=  -1,1378, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1371,1372,
 &end
#
#   86   PRO      QG  86   PRO      QD    4.50   (#         216:25)
 &rst
  ixpk= 216, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1368,1369,
 igr2=1365,1366,
 &end
#
#   86   PRO      QG  86   PRO      QD    4.50   (#         217:25)
 &rst
  ixpk= 217, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1368,1369,
 igr2=1365,1366,
 &end
#
#   86   PRO      QG  85   ASP      HA    5.50   (#         218:25)
 &rst
  ixpk= 218, nxpk= 25, iat=  -1,1354, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1368,1369,
 &end
#
#   86   PRO      QG  87   GLN       H    4.50   (#         219:25)
 &rst
  ixpk= 219, nxpk= 25, iat=  -1,1378, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1368,1369,
 &end
#
#   87   GLN      HA  85   ASP      QB    7.00   (#         220:25)
 &rst
  ixpk= 220, nxpk= 25, iat=1380,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1356,1357,
 &end
#
#   87   GLN      QB  87   GLN      HA    4.50   (#         221:25)
 &rst
  ixpk= 221, nxpk= 25, iat=  -1,1380, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1382,1383,
 &end
#
#   87   GLN      QB  87   GLN      QG    4.50   (#         222:25)
 &rst
  ixpk= 222, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1382,1383,
 igr2=1385,1386,
 &end
#
#   87   GLN      QB  87   GLN      QG    3.50   (#         223:25)
 &rst
  ixpk= 223, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1382,1383,
 igr2=1385,1386,
 &end
#
#   87   GLN      QB  88   VAL     QQG    5.50   (#         224:25)
 &rst
  ixpk= 224, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1382,1383,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#   87   GLN      QB  87   GLN      QG    4.50   (#         225:25)
 &rst
  ixpk= 225, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1382,1383,
 igr2=1385,1386,
 &end
#
#   87   GLN      QB  87   GLN      QG    3.50   (#         226:25)
 &rst
  ixpk= 226, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1382,1383,
 igr2=1385,1386,
 &end
#
#   87   GLN      QB  87   GLN      HA    4.50   (#         227:25)
 &rst
  ixpk= 227, nxpk= 25, iat=  -1,1380, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1382,1383,
 &end
#
#   87   GLN      QB  88   VAL       H    4.50   (#         228:25)
 &rst
  ixpk= 228, nxpk= 25, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1382,1383,
 &end
#
#   87   GLN      QB  88   VAL       H    4.50   (#         229:25)
 &rst
  ixpk= 229, nxpk= 25, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1382,1383,
 &end
#
#   87   GLN      QB  87   GLN       H    4.50   (#         230:25)
 &rst
  ixpk= 230, nxpk= 25, iat=  -1,1378, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1382,1383,
 &end
#
#   87   GLN      QB  87   GLN       H    3.50   (#         231:25)
 &rst
  ixpk= 231, nxpk= 25, iat=  -1,1378, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1382,1383,
 &end
#
#   87   GLN      QG  87   GLN      QB    4.50   (#         232:25)
 &rst
  ixpk= 232, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1385,1386,
 igr2=1382,1383,
 &end
#
#   87   GLN      QG  87   GLN      HA    4.50   (#         233:25)
 &rst
  ixpk= 233, nxpk= 25, iat=  -1,1380, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1385,1386,
 &end
#
#   87   GLN      QG  90   TYR       H    5.50   (#         234:25)
 &rst
  ixpk= 234, nxpk= 25, iat=  -1,1431, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1385,1386,
 &end
#
#   87   GLN      QG  87   GLN       H    4.50   (#         235:25)
 &rst
  ixpk= 235, nxpk= 25, iat=  -1,1378, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1385,1386,
 &end
#
#   87   GLN      QG  87   GLN      QB    3.50   (#         236:25)
 &rst
  ixpk= 236, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1385,1386,
 igr2=1382,1383,
 &end
#
#   87   GLN      QG  86   PRO      QB    5.50   (#         237:25)
 &rst
  ixpk= 237, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1385,1386,
 igr2=1371,1372,
 &end
#
#   87   GLN      QG  88   VAL     QQG    5.50   (#         238:25)
 &rst
  ixpk= 238, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1385,1386,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#   87   GLN      QG  86   PRO      QD    7.00   (#         239:25)
 &rst
  ixpk= 239, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1385,1386,
 igr2=1365,1366,
 &end
#
#   87   GLN      QG  87   GLN      HA    4.50   (#         240:25)
 &rst
  ixpk= 240, nxpk= 25, iat=  -1,1380, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1385,1386,
 &end
#
#   87   GLN      QG  88   VAL       H    5.50   (#         241:25)
 &rst
  ixpk= 241, nxpk= 25, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1385,1386,
 &end
#
#   87   GLN      QG  90   TYR       H    5.50   (#         242:25)
 &rst
  ixpk= 242, nxpk= 25, iat=  -1,1431, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1385,1386,
 &end
#
#   87   GLN      QG  87   GLN       H    4.50   (#         243:25)
 &rst
  ixpk= 243, nxpk= 25, iat=  -1,1378, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1385,1386,
 &end
#
#   89   PHE      HA  88   VAL     QQG    4.50   (#         244:25)
 &rst
  ixpk= 244, nxpk= 25, iat=1413,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#   89   PHE      HA  92   LEU      HG    4.50   (#         245:25)
 &rst
  ixpk= 245, nxpk= 25, iat=1413,1474, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   89   PHE      HA  89   PHE      QD    5.50   (#         246:25)
 &rst
  ixpk= 246, nxpk= 25, iat=1413,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1419,1427,
 &end
#
#   90   TYR      QB  90   TYR      HA    4.50   (#         247:25)
 &rst
  ixpk= 247, nxpk= 25, iat=  -1,1433, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1435,1436,
 &end
#
#   90   TYR      QB  90   TYR      QD    5.50   (#         248:25)
 &rst
  ixpk= 248, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1435,1436,
 igr2=1439,1448,
 &end
#
#   90   TYR      QB  90   TYR       H    4.50   (#         249:25)
 &rst
  ixpk= 249, nxpk= 25, iat=  -1,1431, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1435,1436,
 &end
#
#   91   GLU      QB  91   GLU      QG    4.50   (#         250:25)
 &rst
  ixpk= 250, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1456,1457,
 igr2=1459,1460,
 &end
#
#   91   GLU      QB  91   GLU      HA    4.50   (#         251:25)
 &rst
  ixpk= 251, nxpk= 25, iat=  -1,1454, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1456,1457,
 &end
#
#   91   GLU      QB  91   GLU       H    4.50   (#         252:25)
 &rst
  ixpk= 252, nxpk= 25, iat=  -1,1452, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1456,1457,
 &end
#
#   91   GLU      QG  91   GLU      HA    4.50   (#         253:25)
 &rst
  ixpk= 253, nxpk= 25, iat=  -1,1454, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1459,1460,
 &end
#
#   91   GLU      QG  91   GLU       H    4.50   (#         254:25)
 &rst
  ixpk= 254, nxpk= 25, iat=  -1,1452, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1459,1460,
 &end
#
#   91   GLU      QG  91   GLU      QB    4.50   (#         255:25)
 &rst
  ixpk= 255, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1459,1460,
 igr2=1456,1457,
 &end
#
#   91   GLU      QG  88   VAL      HA    7.00   (#         256:25)
 &rst
  ixpk= 256, nxpk= 25, iat=  -1,1397, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1459,1460,
 &end
#
#   91   GLU      QG  91   GLU      HA    4.50   (#         257:25)
 &rst
  ixpk= 257, nxpk= 25, iat=  -1,1454, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1459,1460,
 &end
#
#   91   GLU      QG  91   GLU       H    4.50   (#         258:25)
 &rst
  ixpk= 258, nxpk= 25, iat=  -1,1452, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1459,1460,
 &end
#
#   92   LEU      HA  92   LEU      QB    4.50   (#         259:25)
 &rst
  ixpk= 259, nxpk= 25, iat=1469,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1471,1472,
 &end
#
#   92   LEU      HA  92   LEU     QQD    4.50   (#         260:25)
 &rst
  ixpk= 260, nxpk= 25, iat=1469,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1476,1477,1478,1480,1481,1482,
 &end
#
#   92   LEU      HA  92   LEU     QQD    4.50   (#         261:25)
 &rst
  ixpk= 261, nxpk= 25, iat=1469,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1476,1477,1478,1480,1481,1482,
 &end
#
#   92   LEU      QB  92   LEU       H    5.50   (#         262:25)
 &rst
  ixpk= 262, nxpk= 25, iat=  -1,1467, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1471,1472,
 &end
#
#   92   LEU      QB  92   LEU      HA    5.50   (#         263:25)
 &rst
  ixpk= 263, nxpk= 25, iat=  -1,1469, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1471,1472,
 &end
#
#   92   LEU      QB  93   PRO      QG    4.50   (#         264:25)
 &rst
  ixpk= 264, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1471,1472,
 igr2=1490,1491,
 &end
#
#   92   LEU      QB  92   LEU     QQD    4.50   (#         265:25)
 &rst
  ixpk= 265, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1471,1472,
 igr2=1476,1477,1478,1480,1481,1482,
 &end
#
#   92   LEU      QB  92   LEU     QQD    5.50   (#         266:25)
 &rst
  ixpk= 266, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1471,1472,
 igr2=1476,1477,1478,1480,1481,1482,
 &end
#
#   92   LEU      QB  92   LEU     QQD    4.50   (#         267:25)
 &rst
  ixpk= 267, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1471,1472,
 igr2=1476,1477,1478,1480,1481,1482,
 &end
#
#   92   LEU      QB  92   LEU     QQD    5.50   (#         268:25)
 &rst
  ixpk= 268, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1471,1472,
 igr2=1476,1477,1478,1480,1481,1482,
 &end
#
#   92   LEU      QB  93   PRO      QG    4.50   (#         269:25)
 &rst
  ixpk= 269, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1471,1472,
 igr2=1490,1491,
 &end
#
#   92   LEU      QB  92   LEU      HA    5.50   (#         270:25)
 &rst
  ixpk= 270, nxpk= 25, iat=  -1,1469, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1471,1472,
 &end
#
#   92   LEU      QB  92   LEU       H    5.50   (#         271:25)
 &rst
  ixpk= 271, nxpk= 25, iat=  -1,1467, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1471,1472,
 &end
#
#   92   LEU     QQD  93   PRO      QB    5.50   (#         273:25)
 &rst
  ixpk= 273, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1476,1477,1478,1480,1481,1482,
 igr2=1493,1494,
 &end
#
#   92   LEU      HG  89   PHE       H    7.00   (#         276:25)
 &rst
  ixpk= 276, nxpk= 25, iat=1474,1411, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   92   LEU      HG  90   TYR      HA    7.00   (#         277:25)
 &rst
  ixpk= 277, nxpk= 25, iat=1474,1433, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   92   LEU      HG  93   PRO      QD    5.50   (#         279:25)
 &rst
  ixpk= 279, nxpk= 25, iat=1474,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1487,1488,
 &end
#
#   92   LEU      HG  95   ALA      QB    7.00   (#         281:25)
 &rst
  ixpk= 281, nxpk= 25, iat=1474,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1519,1520,1521,
 &end
#
#   93   PRO      HA  93   PRO      QB    3.50   (#         282:25)
 &rst
  ixpk= 282, nxpk= 25, iat=1496,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1493,1494,
 &end
#
#   93   PRO      HA  93   PRO      QB    4.50   (#         283:25)
 &rst
  ixpk= 283, nxpk= 25, iat=1496,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1493,1494,
 &end
#
#   93   PRO      QB  97   GLN     QE2    5.50   (#         285:25)
 &rst
  ixpk= 285, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1493,1494,
 igr2=1553,1554,
 &end
#
#   93   PRO      QB  93   PRO      HA    4.50   (#         286:25)
 &rst
  ixpk= 286, nxpk= 25, iat=  -1,1496, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1493,1494,
 &end
#
#   93   PRO      QB  92   LEU     QQD    5.50   (#         287:25)
 &rst
  ixpk= 287, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1493,1494,
 igr2=1476,1477,1478,1480,1481,1482,
 &end
#
#   93   PRO      QG  93   PRO      QD    5.50   (#         289:25)
 &rst
  ixpk= 289, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1490,1491,
 igr2=1487,1488,
 &end
#
#   93   PRO      QG  97   GLN      HA    5.50   (#         290:25)
 &rst
  ixpk= 290, nxpk= 25, iat=  -1,1543, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1490,1491,
 &end
#
#   93   PRO      QG  93   PRO      QD    5.50   (#         291:25)
 &rst
  ixpk= 291, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1490,1491,
 igr2=1487,1488,
 &end
#
#  108   GLY      QA 103   GLU      HA    7.00   (#         293:25)
 &rst
  ixpk= 293, nxpk= 25, iat=  -1,1645, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1744,1745,
 &end
#
#  108   GLY      QA 105   LYS      HA    4.50   (#         294:25)
 &rst
  ixpk= 294, nxpk= 25, iat=  -1,1684, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1744,1745,
 &end
#
#  107   THR     QG2 106   ARG      QB    4.50   (#         299:25)
 &rst
  ixpk= 299, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1734,1735,1736,
 igr2=1708,1709,
 &end
#
#  107   THR     QG2 103   GLU      QG    5.50   (#         300:25)
 &rst
  ixpk= 300, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1734,1735,1736,
 igr2=1650,1651,
 &end
#
#  107   THR     QG2 107   THR      HB    3.50   (#         301:25)
 &rst
  ixpk= 301, nxpk= 25, iat=  -1,1732, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1734,1735,1736,
 &end
#
#  107   THR     QG2 107   THR       H    4.50   (#         302:25)
 &rst
  ixpk= 302, nxpk= 25, iat=  -1,1728, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1734,1735,1736,
 &end
#
#  107   THR      HB 107   THR     QG2    3.50   (#         303:25)
 &rst
  ixpk= 303, nxpk= 25, iat=1732,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1734,1735,1736,
 &end
#
#  107   THR      HB 104   TRP      HA    5.50   (#         304:25)
 &rst
  ixpk= 304, nxpk= 25, iat=1732,1660, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  107   THR      HB 108   GLY       H    5.50   (#         305:25)
 &rst
  ixpk= 305, nxpk= 25, iat=1732,1742, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  106   ARG      QG 106   ARG      QB    4.50   (#         306:25)
 &rst
  ixpk= 306, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1711,1712,
 igr2=1708,1709,
 &end
#
#  106   ARG      QG 106   ARG      QD    3.50   (#         307:25)
 &rst
  ixpk= 307, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1711,1712,
 igr2=1714,1715,
 &end
#
#  106   ARG      QG 105   LYS      QG    4.50   (#         308:25)
 &rst
  ixpk= 308, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1711,1712,
 igr2=1689,1690,
 &end
#
#  106   ARG      QG 106   ARG      HA    4.50   (#         309:25)
 &rst
  ixpk= 309, nxpk= 25, iat=  -1,1706, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1711,1712,
 &end
#
#  106   ARG      QD 106   ARG      QB    4.50   (#         310:25)
 &rst
  ixpk= 310, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1714,1715,
 igr2=1708,1709,
 &end
#
#  106   ARG      QD 106   ARG      QG    4.50   (#         311:25)
 &rst
  ixpk= 311, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1714,1715,
 igr2=1711,1712,
 &end
#
#  106   ARG      QD 106   ARG      QG    4.50   (#         312:25)
 &rst
  ixpk= 312, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1714,1715,
 igr2=1711,1712,
 &end
#
#  105   LYS      QG 105   LYS      QD    3.50   (#         314:25)
 &rst
  ixpk= 314, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1689,1690,
 igr2=1692,1693,
 &end
#
#  105   LYS      QG 105   LYS      QB    3.50   (#         315:25)
 &rst
  ixpk= 315, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1689,1690,
 igr2=1686,1687,
 &end
#
#  105   LYS      QG 105   LYS      QE    4.50   (#         316:25)
 &rst
  ixpk= 316, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1689,1690,
 igr2=1695,1696,
 &end
#
#  105   LYS      QG 105   LYS      HA    5.50   (#         317:25)
 &rst
  ixpk= 317, nxpk= 25, iat=  -1,1684, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1689,1690,
 &end
#
#  105   LYS      QG 105   LYS       H    5.50   (#         318:25)
 &rst
  ixpk= 318, nxpk= 25, iat=  -1,1682, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1689,1690,
 &end
#
#  105   LYS      QE 106   ARG      QD    4.50   (#         320:25)
 &rst
  ixpk= 320, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1695,1696,
 igr2=1714,1715,
 &end
#
#  104   TRP      QB 104   TRP      HA    4.50   (#         325:25)
 &rst
  ixpk= 325, nxpk= 25, iat=  -1,1660, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1662,1663,
 &end
#
#  104   TRP      QB 104   TRP     HE3    4.50   (#         326:25)
 &rst
  ixpk= 326, nxpk= 25, iat=  -1,1677, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1662,1663,
 &end
#
#  104   TRP      QB 104   TRP       H    5.50   (#         327:25)
 &rst
  ixpk= 327, nxpk= 25, iat=  -1,1658, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1662,1663,
 &end
#
#  104   TRP      QB 104   TRP       H    4.50   (#         328:25)
 &rst
  ixpk= 328, nxpk= 25, iat=  -1,1658, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1662,1663,
 &end
#
#  103   GLU      QG 104   TRP       H    4.50   (#         329:25)
 &rst
  ixpk= 329, nxpk= 25, iat=  -1,1658, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1650,1651,
 &end
#
#  103   GLU      QG 103   GLU       H    4.50   (#         330:25)
 &rst
  ixpk= 330, nxpk= 25, iat=  -1,1643, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1650,1651,
 &end
#
#  103   GLU      QG 103   GLU      HA    3.50   (#         332:25)
 &rst
  ixpk= 332, nxpk= 25, iat=  -1,1645, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1650,1651,
 &end
#
#  103   GLU      QG 103   GLU      QB    2.80   (#         334:25)
 &rst
  ixpk= 334, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1650,1651,
 igr2=1647,1648,
 &end
#
#  103   GLU      QB 103   GLU      QG    2.80   (#         336:25)
 &rst
  ixpk= 336, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1647,1648,
 igr2=1650,1651,
 &end
#
#  103   GLU      QB 103   GLU      HA    4.50   (#         337:25)
 &rst
  ixpk= 337, nxpk= 25, iat=  -1,1645, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1647,1648,
 &end
#
#  103   GLU      QB 103   GLU       H    4.50   (#         338:25)
 &rst
  ixpk= 338, nxpk= 25, iat=  -1,1643, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1647,1648,
 &end
#
#  103   GLU      QB 104   TRP       H    4.50   (#         339:25)
 &rst
  ixpk= 339, nxpk= 25, iat=  -1,1658, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1647,1648,
 &end
#
#   94   GLU      QB  94   GLU      HA    3.50   (#         340:25)
 &rst
  ixpk= 340, nxpk= 25, iat=  -1,1502, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1504,1505,
 &end
#
#  103   GLU      QB 103   GLU      HA    4.50   (#         341:25)
 &rst
  ixpk= 341, nxpk= 25, iat=  -1,1645, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1647,1648,
 &end
#
#  103   GLU      QB 103   GLU       H    4.50   (#         342:25)
 &rst
  ixpk= 342, nxpk= 25, iat=  -1,1643, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1647,1648,
 &end
#
#  103   GLU      QB 104   TRP       H    4.50   (#         343:25)
 &rst
  ixpk= 343, nxpk= 25, iat=  -1,1658, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1647,1648,
 &end
#
#   94   GLU      QB  95   ALA       H    4.50   (#         344:25)
 &rst
  ixpk= 344, nxpk= 25, iat=  -1,1515, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1504,1505,
 &end
#
#  103   GLU      HA 102   ALA      QB    5.50   (#         346:25)
 &rst
  ixpk= 346, nxpk= 25, iat=1645,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1637,1638,1639,
 &end
#
#  102   ALA      QB 102   ALA      HA    2.80   (#         349:25)
 &rst
  ixpk= 349, nxpk= 25, iat=  -1,1635, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1637,1638,1639,
 &end
#
#  102   ALA      QB 102   ALA       H    3.50   (#         350:25)
 &rst
  ixpk= 350, nxpk= 25, iat=  -1,1633, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1637,1638,1639,
 &end
#
#  102   ALA      QB  99   GLU      HA    3.50   (#         352:25)
 &rst
  ixpk= 352, nxpk= 25, iat=  -1,1582, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1637,1638,1639,
 &end
#
#  102   ALA      HA 102   ALA      QB    3.50   (#         353:25)
 &rst
  ixpk= 353, nxpk= 25, iat=1635,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1637,1638,1639,
 &end
#
#  102   ALA      HA 103   GLU      QB    5.50   (#         354:25)
 &rst
  ixpk= 354, nxpk= 25, iat=1635,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1647,1648,
 &end
#
#  102   ALA      HA 102   ALA       H    4.50   (#         355:25)
 &rst
  ixpk= 355, nxpk= 25, iat=1635,1633, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  102   ALA      HA 103   GLU       H    5.50   (#         356:25)
 &rst
  ixpk= 356, nxpk= 25, iat=1635,1643, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  101   LEU      HG 102   ALA      QB    3.50   (#         357:25)
 &rst
  ixpk= 357, nxpk= 25, iat=1621,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1637,1638,1639,
 &end
#
#   98   LYS      QG 101   LEU      HG    4.50   (#         358:25)
 &rst
  ixpk= 358, nxpk= 25, iat=  -1,1621, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1565,1566,
 &end
#
#  101   LEU      HG 101   LEU      QB    3.50   (#         359:25)
 &rst
  ixpk= 359, nxpk= 25, iat=1621,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1618,1619,
 &end
#
#  101   LEU      HG 101   LEU     QQD    3.50   (#         360:25)
 &rst
  ixpk= 360, nxpk= 25, iat=1621,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1623,1624,1625,1627,1628,1629,
 &end
#
#  101   LEU      HG 101   LEU      HA    3.50   (#         361:25)
 &rst
  ixpk= 361, nxpk= 25, iat=1621,1616, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  101   LEU      HG 101   LEU       H    4.50   (#         363:25)
 &rst
  ixpk= 363, nxpk= 25, iat=1621,1614, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  101   LEU     QQD 100   LEU     QQD    4.50   (#         364:25)
 &rst
  ixpk= 364, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1623,1624,1625,1627,1628,1629,
 igr2=1604,1605,1606,1608,1609,1610,
 &end
#
#  101   LEU     QQD 105   LYS      QG    4.50   (#         366:25)
 &rst
  ixpk= 366, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1623,1624,1625,1627,1628,1629,
 igr2=1689,1690,
 &end
#
#  101   LEU     QQD 100   LEU       H    4.50   (#         372:25)
 &rst
  ixpk= 372, nxpk= 25, iat=  -1,1595, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1623,1624,1625,1627,1628,1629,
 &end
#
#  101   LEU      QB 102   ALA      QB    4.50   (#         373:25)
 &rst
  ixpk= 373, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1618,1619,
 igr2=1637,1638,1639,
 &end
#
#  101   LEU      QB 101   LEU      HG    4.50   (#         374:25)
 &rst
  ixpk= 374, nxpk= 25, iat=  -1,1621, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1618,1619,
 &end
#
#  101   LEU      QB 101   LEU      HA    4.50   (#         375:25)
 &rst
  ixpk= 375, nxpk= 25, iat=  -1,1616, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1618,1619,
 &end
#
#  101   LEU      HA 104   TRP      QB    4.50   (#         376:25)
 &rst
  ixpk= 376, nxpk= 25, iat=1616,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1662,1663,
 &end
#
#  101   LEU      HA 103   GLU      QB    5.50   (#         377:25)
 &rst
  ixpk= 377, nxpk= 25, iat=1616,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1647,1648,
 &end
#
#  101   LEU      HA 101   LEU      QB    4.50   (#         378:25)
 &rst
  ixpk= 378, nxpk= 25, iat=1616,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1618,1619,
 &end
#
#  101   LEU      HA 102   ALA      QB    5.50   (#         379:25)
 &rst
  ixpk= 379, nxpk= 25, iat=1616,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1637,1638,1639,
 &end
#
#  101   LEU      HA 101   LEU     QQD    3.50   (#         380:25)
 &rst
  ixpk= 380, nxpk= 25, iat=1616,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1623,1624,1625,1627,1628,1629,
 &end
#
#  101   LEU      HA 102   ALA       H    4.50   (#         381:25)
 &rst
  ixpk= 381, nxpk= 25, iat=1616,1633, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  101   LEU      HA 101   LEU       H    4.50   (#         382:25)
 &rst
  ixpk= 382, nxpk= 25, iat=1616,1614, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  100   LEU     QQD 100   LEU       H    4.50   (#         383:25)
 &rst
  ixpk= 383, nxpk= 25, iat=  -1,1595, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1604,1605,1606,1608,1609,1610,
 &end
#
#  100   LEU     QQD 104   TRP     HZ2    4.50   (#         384:25)
 &rst
  ixpk= 384, nxpk= 25, iat=  -1,1671, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1604,1605,1606,1608,1609,1610,
 &end
#
#   97   GLN     QE2 100   LEU     QQD    5.50   (#         385:25)
 &rst
  ixpk= 385, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1553,1554,
 igr2=1604,1605,1606,1608,1609,1610,
 &end
#
#   81   PRO      QG  80   PHE      QD    5.50   (#         386:25)
 &rst
  ixpk= 386, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1300,1301,
 igr2=1284,1292,
 &end
#
#  100   LEU     QQD 100   LEU      QB    3.50   (#         388:25)
 &rst
  ixpk= 388, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1604,1605,1606,1608,1609,1610,
 igr2=1599,1600,
 &end
#
#  100   LEU     QQD 100   LEU      QB    4.50   (#         389:25)
 &rst
  ixpk= 389, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1604,1605,1606,1608,1609,1610,
 igr2=1599,1600,
 &end
#
#  100   LEU     QQD 100   LEU      QB    4.50   (#         390:25)
 &rst
  ixpk= 390, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1604,1605,1606,1608,1609,1610,
 igr2=1599,1600,
 &end
#
#  100   LEU     QQD 101   LEU      HG    5.50   (#         391:25)
 &rst
  ixpk= 391, nxpk= 25, iat=  -1,1621, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1604,1605,1606,1608,1609,1610,
 &end
#
#  100   LEU     QQD 100   LEU      HG    3.50   (#         392:25)
 &rst
  ixpk= 392, nxpk= 25, iat=  -1,1602, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1604,1605,1606,1608,1609,1610,
 &end
#
#  100   LEU     QQD 100   LEU      HA    3.50   (#         393:25)
 &rst
  ixpk= 393, nxpk= 25, iat=  -1,1597, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1604,1605,1606,1608,1609,1610,
 &end
#
#  100   LEU     QQD 104   TRP     HZ2    4.50   (#         394:25)
 &rst
  ixpk= 394, nxpk= 25, iat=  -1,1671, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1604,1605,1606,1608,1609,1610,
 &end
#
#  100   LEU     QQD 100   LEU       H    4.50   (#         395:25)
 &rst
  ixpk= 395, nxpk= 25, iat=  -1,1595, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1604,1605,1606,1608,1609,1610,
 &end
#
#  100   LEU      QB 100   LEU     QQD    4.50   (#         396:25)
 &rst
  ixpk= 396, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1599,1600,
 igr2=1604,1605,1606,1608,1609,1610,
 &end
#
#  100   LEU      QB 100   LEU      HG    4.50   (#         397:25)
 &rst
  ixpk= 397, nxpk= 25, iat=  -1,1602, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1599,1600,
 &end
#
#  100   LEU      QB 100   LEU      HA    5.50   (#         399:25)
 &rst
  ixpk= 399, nxpk= 25, iat=  -1,1597, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1599,1600,
 &end
#
#  100   LEU      QB 100   LEU       H    5.50   (#         400:25)
 &rst
  ixpk= 400, nxpk= 25, iat=  -1,1595, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1599,1600,
 &end
#
#  100   LEU      HA 100   LEU      QB    4.50   (#         401:25)
 &rst
  ixpk= 401, nxpk= 25, iat=1597,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1599,1600,
 &end
#
#  100   LEU      HA 100   LEU     QQD    3.50   (#         402:25)
 &rst
  ixpk= 402, nxpk= 25, iat=1597,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1604,1605,1606,1608,1609,1610,
 &end
#
#  100   LEU      HA 100   LEU      HG    4.50   (#         403:25)
 &rst
  ixpk= 403, nxpk= 25, iat=1597,1602, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  100   LEU      HA 101   LEU      HG    5.50   (#         404:25)
 &rst
  ixpk= 404, nxpk= 25, iat=1597,1621, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  100   LEU      HA 103   GLU      QB    4.50   (#         405:25)
 &rst
  ixpk= 405, nxpk= 25, iat=1597,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1647,1648,
 &end
#
#  100   LEU      HA 103   GLU      QG    5.50   (#         406:25)
 &rst
  ixpk= 406, nxpk= 25, iat=1597,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1650,1651,
 &end
#
#  100   LEU      HA 100   LEU       H    4.50   (#         407:25)
 &rst
  ixpk= 407, nxpk= 25, iat=1597,1595, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   99   GLU      QG  99   GLU      HA    4.50   (#         409:25)
 &rst
  ixpk= 409, nxpk= 25, iat=  -1,1582, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1587,1588,
 &end
#
#   99   GLU      QG  99   GLU       H    4.50   (#         410:25)
 &rst
  ixpk= 410, nxpk= 25, iat=  -1,1580, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1587,1588,
 &end
#
#   99   GLU      QB  99   GLU      HA    4.50   (#         412:25)
 &rst
  ixpk= 412, nxpk= 25, iat=  -1,1582, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1584,1585,
 &end
#
#   99   GLU      QB  99   GLU       H    4.50   (#         413:25)
 &rst
  ixpk= 413, nxpk= 25, iat=  -1,1580, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1584,1585,
 &end
#
#   99   GLU      QB 100   LEU       H    4.50   (#         414:25)
 &rst
  ixpk= 414, nxpk= 25, iat=  -1,1595, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1584,1585,
 &end
#
#   99   GLU      QB  99   GLU      QG    4.50   (#         415:25)
 &rst
  ixpk= 415, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1584,1585,
 igr2=1587,1588,
 &end
#
#   99   GLU      QB  96   VAL      HA    4.50   (#         416:25)
 &rst
  ixpk= 416, nxpk= 25, iat=  -1,1527, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1584,1585,
 &end
#
#   99   GLU      QB  99   GLU      HA    4.50   (#         417:25)
 &rst
  ixpk= 417, nxpk= 25, iat=  -1,1582, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1584,1585,
 &end
#
#   99   GLU      QB  99   GLU       H    4.50   (#         418:25)
 &rst
  ixpk= 418, nxpk= 25, iat=  -1,1580, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1584,1585,
 &end
#
#   91   GLU      QB  91   GLU       H    4.50   (#         419:25)
 &rst
  ixpk= 419, nxpk= 25, iat=  -1,1452, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1456,1457,
 &end
#
#   99   GLU      QB 100   LEU       H    4.50   (#         420:25)
 &rst
  ixpk= 420, nxpk= 25, iat=  -1,1595, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1584,1585,
 &end
#
#   99   GLU      QB  99   GLU      QG    4.50   (#         421:25)
 &rst
  ixpk= 421, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1584,1585,
 igr2=1587,1588,
 &end
#
#   99   GLU      QB  96   VAL      HA    4.50   (#         422:25)
 &rst
  ixpk= 422, nxpk= 25, iat=  -1,1527, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1584,1585,
 &end
#
#   99   GLU      HA 102   ALA      QB    4.50   (#         423:25)
 &rst
  ixpk= 423, nxpk= 25, iat=1582,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1637,1638,1639,
 &end
#
#   99   GLU      HA  99   GLU      QG    4.50   (#         424:25)
 &rst
  ixpk= 424, nxpk= 25, iat=1582,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1587,1588,
 &end
#
#   98   LYS      QG  98   LYS      QB    3.50   (#         425:25)
 &rst
  ixpk= 425, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1565,1566,
 igr2=1562,1563,
 &end
#
#   98   LYS      QG  98   LYS      QE    4.50   (#         426:25)
 &rst
  ixpk= 426, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1565,1566,
 igr2=1571,1572,
 &end
#
#   98   LYS      QG  98   LYS      HA    4.50   (#         427:25)
 &rst
  ixpk= 427, nxpk= 25, iat=  -1,1560, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1565,1566,
 &end
#
#   98   LYS      QG  98   LYS       H    4.50   (#         428:25)
 &rst
  ixpk= 428, nxpk= 25, iat=  -1,1558, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1565,1566,
 &end
#
#   98   LYS      QG  98   LYS      QB    3.50   (#         429:25)
 &rst
  ixpk= 429, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1565,1566,
 igr2=1562,1563,
 &end
#
#   98   LYS      QG  98   LYS      QE    4.50   (#         430:25)
 &rst
  ixpk= 430, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1565,1566,
 igr2=1571,1572,
 &end
#
#   98   LYS      QG  98   LYS      HA    4.50   (#         431:25)
 &rst
  ixpk= 431, nxpk= 25, iat=  -1,1560, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1565,1566,
 &end
#
#   98   LYS      QG  98   LYS       H    5.50   (#         432:25)
 &rst
  ixpk= 432, nxpk= 25, iat=  -1,1558, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1565,1566,
 &end
#
#   98   LYS      QE  98   LYS      QG    4.50   (#         433:25)
 &rst
  ixpk= 433, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1571,1572,
 igr2=1565,1566,
 &end
#
#   98   LYS      QE  98   LYS      QG    3.50   (#         434:25)
 &rst
  ixpk= 434, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1571,1572,
 igr2=1565,1566,
 &end
#
#   98   LYS      QE  98   LYS      QB    4.50   (#         435:25)
 &rst
  ixpk= 435, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1571,1572,
 igr2=1562,1563,
 &end
#
#   98   LYS      QE  97   GLN      QB    5.50   (#         436:25)
 &rst
  ixpk= 436, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1571,1572,
 igr2=1545,1546,
 &end
#
#   98   LYS      QE  94   GLU      QG    4.50   (#         437:25)
 &rst
  ixpk= 437, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1571,1572,
 igr2=1507,1508,
 &end
#
#   98   LYS      QD  98   LYS      QG    3.50   (#         440:25)
 &rst
  ixpk= 440, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1568,1569,
 igr2=1565,1566,
 &end
#
#   98   LYS      QD  98   LYS      QB    3.50   (#         441:25)
 &rst
  ixpk= 441, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1568,1569,
 igr2=1562,1563,
 &end
#
#   98   LYS      QD  94   GLU      QG    4.50   (#         442:25)
 &rst
  ixpk= 442, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1568,1569,
 igr2=1507,1508,
 &end
#
#   98   LYS      QD  98   LYS      QE    4.50   (#         443:25)
 &rst
  ixpk= 443, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1568,1569,
 igr2=1571,1572,
 &end
#
#   98   LYS      QD  98   LYS      HA    4.50   (#         444:25)
 &rst
  ixpk= 444, nxpk= 25, iat=  -1,1560, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1568,1569,
 &end
#
#   98   LYS      QD  95   ALA      HA    4.50   (#         445:25)
 &rst
  ixpk= 445, nxpk= 25, iat=  -1,1517, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1568,1569,
 &end
#
#   98   LYS      QD  98   LYS       H    4.50   (#         446:25)
 &rst
  ixpk= 446, nxpk= 25, iat=  -1,1558, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1568,1569,
 &end
#
#   98   LYS      QB  98   LYS      QG    3.50   (#         447:25)
 &rst
  ixpk= 447, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1562,1563,
 igr2=1565,1566,
 &end
#
#   98   LYS      QB  98   LYS      QD    2.80   (#         448:25)
 &rst
  ixpk= 448, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1562,1563,
 igr2=1568,1569,
 &end
#
#   98   LYS      QB  98   LYS      HA    3.50   (#         450:25)
 &rst
  ixpk= 450, nxpk= 25, iat=  -1,1560, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1562,1563,
 &end
#
#   98   LYS      QB  99   GLU       H    4.50   (#         451:25)
 &rst
  ixpk= 451, nxpk= 25, iat=  -1,1580, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1562,1563,
 &end
#
#   98   LYS      QB  98   LYS       H    3.50   (#         452:25)
 &rst
  ixpk= 452, nxpk= 25, iat=  -1,1558, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1562,1563,
 &end
#
#   98   LYS      HA 101   LEU      HG    4.50   (#         453:25)
 &rst
  ixpk= 453, nxpk= 25, iat=1560,1621, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   98   LYS      HA  98   LYS      QG    4.50   (#         454:25)
 &rst
  ixpk= 454, nxpk= 25, iat=1560,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1565,1566,
 &end
#
#   98   LYS      HA  98   LYS      QD    4.50   (#         455:25)
 &rst
  ixpk= 455, nxpk= 25, iat=1560,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1568,1569,
 &end
#
#   98   LYS      HA  98   LYS      QB    3.50   (#         456:25)
 &rst
  ixpk= 456, nxpk= 25, iat=1560,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1562,1563,
 &end
#
#  102   ALA      HA  98   LYS      HA    7.00   (#         457:25)
 &rst
  ixpk= 457, nxpk= 25, iat=1635,1560, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   98   LYS      HA  99   GLU       H    5.50   (#         458:25)
 &rst
  ixpk= 458, nxpk= 25, iat=1560,1580, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   98   LYS      HA  98   LYS       H    4.50   (#         459:25)
 &rst
  ixpk= 459, nxpk= 25, iat=1560,1558, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   97   GLN      HA  96   VAL      HB    4.50   (#         460:25)
 &rst
  ixpk= 460, nxpk= 25, iat=1543,1529, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   97   GLN      HA 100   LEU      HG    4.50   (#         461:25)
 &rst
  ixpk= 461, nxpk= 25, iat=1543,1602, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   89   PHE      QE  97   GLN      HA    4.50   (#         462:25)
 &rst
  ixpk= 462, nxpk= 25, iat=  -1,1543, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1421,1425,
 &end
#
#   97   GLN      HA  97   GLN       H    4.50   (#         463:25)
 &rst
  ixpk= 463, nxpk= 25, iat=1543,1541, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   97   GLN      HA  98   LYS       H    5.50   (#         464:25)
 &rst
  ixpk= 464, nxpk= 25, iat=1543,1558, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   96   VAL      HB  96   VAL     QQG    3.50   (#         465:25)
 &rst
  ixpk= 465, nxpk= 25, iat=1529,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1531,1532,1533,1535,1536,1537,
 &end
#
#   96   VAL      HB  96   VAL       H    4.50   (#         466:25)
 &rst
  ixpk= 466, nxpk= 25, iat=1529,1525, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   96   VAL      HA  96   VAL     QQG    3.50   (#         467:25)
 &rst
  ixpk= 467, nxpk= 25, iat=1527,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1531,1532,1533,1535,1536,1537,
 &end
#
#   96   VAL      HA  96   VAL      HB    4.50   (#         468:25)
 &rst
  ixpk= 468, nxpk= 25, iat=1527,1529, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   96   VAL      HA  99   GLU      QB    4.50   (#         469:25)
 &rst
  ixpk= 469, nxpk= 25, iat=1527,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1584,1585,
 &end
#
#   96   VAL      HA  99   GLU      QB    4.50   (#         470:25)
 &rst
  ixpk= 470, nxpk= 25, iat=1527,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1584,1585,
 &end
#
#   96   VAL      HA  96   VAL       H    5.50   (#         471:25)
 &rst
  ixpk= 471, nxpk= 25, iat=1527,1525, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   96   VAL      HA  99   GLU       H    4.50   (#         472:25)
 &rst
  ixpk= 472, nxpk= 25, iat=1527,1580, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   95   ALA      QB  96   VAL     QQG    4.50   (#         473:25)
 &rst
  ixpk= 473, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1519,1520,1521,
 igr2=1531,1532,1533,1535,1536,1537,
 &end
#
#   93   PRO      QB  95   ALA      QB    4.50   (#         475:25)
 &rst
  ixpk= 475, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1493,1494,
 igr2=1519,1520,1521,
 &end
#
#   94   GLU      QG  95   ALA      QB    4.50   (#         476:25)
 &rst
  ixpk= 476, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1507,1508,
 igr2=1519,1520,1521,
 &end
#
#   95   ALA      HA  95   ALA      QB    3.50   (#         477:25)
 &rst
  ixpk= 477, nxpk= 25, iat=1517,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1519,1520,1521,
 &end
#
#   95   ALA      QB  95   ALA      HA    3.50   (#         477:25)
 &rst
  ixpk= 477, nxpk= 25, iat=  -1,1517, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1519,1520,1521,
 &end
#
#   95   ALA      QB  96   VAL       H    4.50   (#         478:25)
 &rst
  ixpk= 478, nxpk= 25, iat=  -1,1525, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1519,1520,1521,
 &end
#
#   96   VAL       H  95   ALA      QB    4.50   (#         478:25)
 &rst
  ixpk= 478, nxpk= 25, iat=1525,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1519,1520,1521,
 &end
#
#   95   ALA       H  95   ALA      QB    3.50   (#         479:25)
 &rst
  ixpk= 479, nxpk= 25, iat=1515,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1519,1520,1521,
 &end
#
#   95   ALA      QB  95   ALA       H    3.50   (#         479:25)
 &rst
  ixpk= 479, nxpk= 25, iat=  -1,1515, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1519,1520,1521,
 &end
#
#   95   ALA      HA  95   ALA      QB    3.50   (#         480:25)
 &rst
  ixpk= 480, nxpk= 25, iat=1517,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1519,1520,1521,
 &end
#
#   98   LYS      QG  95   ALA      HA    4.50   (#         481:25)
 &rst
  ixpk= 481, nxpk= 25, iat=  -1,1517, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1565,1566,
 &end
#
#   98   LYS      QB  95   ALA      HA    4.50   (#         482:25)
 &rst
  ixpk= 482, nxpk= 25, iat=  -1,1517, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1562,1563,
 &end
#
#   95   ALA      HA  95   ALA       H    5.50   (#         483:25)
 &rst
  ixpk= 483, nxpk= 25, iat=1517,1515, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   94   GLU      QG  94   GLU      HA    4.50   (#         484:25)
 &rst
  ixpk= 484, nxpk= 25, iat=  -1,1502, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1507,1508,
 &end
#
#   94   GLU      QG  94   GLU      QB    3.50   (#         485:25)
 &rst
  ixpk= 485, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1507,1508,
 igr2=1504,1505,
 &end
#
#   94   GLU      QG  94   GLU      QB    3.50   (#         486:25)
 &rst
  ixpk= 486, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1507,1508,
 igr2=1504,1505,
 &end
#
#   94   GLU      QB  94   GLU       H    5.50   (#         488:25)
 &rst
  ixpk= 488, nxpk= 25, iat=  -1,1500, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1504,1505,
 &end
#
#   94   GLU      QB  94   GLU      HA    4.50   (#         489:25)
 &rst
  ixpk= 489, nxpk= 25, iat=  -1,1502, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1504,1505,
 &end
#
#   94   GLU      QB  94   GLU      QG    3.50   (#         490:25)
 &rst
  ixpk= 490, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1504,1505,
 igr2=1507,1508,
 &end
#
#   98   LYS      QD  95   ALA      QB    4.50   (#         491:25)
 &rst
  ixpk= 491, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1568,1569,
 igr2=1519,1520,1521,
 &end
#
#   94   GLU      QB  95   ALA      QB    4.50   (#         492:25)
 &rst
  ixpk= 492, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1504,1505,
 igr2=1519,1520,1521,
 &end
#
#   94   GLU      QG  95   ALA      QB    5.50   (#         493:25)
 &rst
  ixpk= 493, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1507,1508,
 igr2=1519,1520,1521,
 &end
#
#   95   ALA       H  94   GLU      QB    5.50   (#         494:25)
 &rst
  ixpk= 494, nxpk= 25, iat=1515,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1504,1505,
 &end
#
#   88   VAL     QQG  92   LEU      QB    4.50   (#         498:25)
 &rst
  ixpk= 498, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1401,1402,1403,1405,1406,1407,
 igr2=1471,1472,
 &end
#
#   88   VAL     QQG  87   GLN      QB    3.50   (#         501:25)
 &rst
  ixpk= 501, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1401,1402,1403,1405,1406,1407,
 igr2=1382,1383,
 &end
#
#   88   VAL     QQG  91   GLU      QG    5.50   (#         502:25)
 &rst
  ixpk= 502, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1401,1402,1403,1405,1406,1407,
 igr2=1459,1460,
 &end
#
#   88   VAL     QQG  90   TYR      QB    5.50   (#         503:25)
 &rst
  ixpk= 503, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1401,1402,1403,1405,1406,1407,
 igr2=1435,1436,
 &end
#
#   88   VAL     QQG  88   VAL      HA    3.50   (#         504:25)
 &rst
  ixpk= 504, nxpk= 25, iat=  -1,1397, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1401,1402,1403,1405,1406,1407,
 &end
#
#   88   VAL     QQG  91   GLU      HA    7.00   (#         505:25)
 &rst
  ixpk= 505, nxpk= 25, iat=  -1,1454, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1401,1402,1403,1405,1406,1407,
 &end
#
#   88   VAL     QQG  86   PRO      QD    5.50   (#         506:25)
 &rst
  ixpk= 506, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1401,1402,1403,1405,1406,1407,
 igr2=1365,1366,
 &end
#
#   88   VAL     QQG  88   VAL       H    3.50   (#         507:25)
 &rst
  ixpk= 507, nxpk= 25, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1401,1402,1403,1405,1406,1407,
 &end
#
#   88   VAL     QQG  89   PHE       H    4.50   (#         508:25)
 &rst
  ixpk= 508, nxpk= 25, iat=  -1,1411, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1401,1402,1403,1405,1406,1407,
 &end
#
#   88   VAL     QQG  90   TYR       H    5.50   (#         509:25)
 &rst
  ixpk= 509, nxpk= 25, iat=  -1,1431, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1401,1402,1403,1405,1406,1407,
 &end
#
#   88   VAL     QQG  87   GLN       H    5.50   (#         510:25)
 &rst
  ixpk= 510, nxpk= 25, iat=  -1,1378, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1401,1402,1403,1405,1406,1407,
 &end
#
#   95   ALA      QB  96   VAL     QQG    4.50   (#         511:25)
 &rst
  ixpk= 511, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1519,1520,1521,
 igr2=1531,1532,1533,1535,1536,1537,
 &end
#
#   96   VAL      HB  96   VAL     QQG    2.80   (#         512:25)
 &rst
  ixpk= 512, nxpk= 25, iat=1529,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1531,1532,1533,1535,1536,1537,
 &end
#
#   96   VAL      HB  96   VAL     QQG    3.50   (#         512:25)
 &rst
  ixpk= 512, nxpk= 25, iat=1529,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1531,1532,1533,1535,1536,1537,
 &end
#
#  102   ALA      QB 101   LEU     QQD    4.50   (#         513:25)
 &rst
  ixpk= 513, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1637,1638,1639,
 igr2=1623,1624,1625,1627,1628,1629,
 &end
#
#   88   VAL      HB  88   VAL     QQG    4.50   (#         514:25)
 &rst
  ixpk= 514, nxpk= 25, iat=1399,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#   93   PRO      QB  96   VAL     QQG    5.50   (#         515:25)
 &rst
  ixpk= 515, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1493,1494,
 igr2=1531,1532,1533,1535,1536,1537,
 &end
#
#   96   VAL      HA  96   VAL     QQG    3.50   (#         516:25)
 &rst
  ixpk= 516, nxpk= 25, iat=1527,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1531,1532,1533,1535,1536,1537,
 &end
#
#   98   LYS      HA 101   LEU     QQD    3.50   (#         517:25)
 &rst
  ixpk= 517, nxpk= 25, iat=1560,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1623,1624,1625,1627,1628,1629,
 &end
#
#   96   VAL       H  96   VAL     QQG    3.50   (#         518:25)
 &rst
  ixpk= 518, nxpk= 25, iat=1525,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1531,1532,1533,1535,1536,1537,
 &end
#
#   99   GLU       H 101   LEU     QQD    4.50   (#         521:25)
 &rst
  ixpk= 521, nxpk= 25, iat=1580,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1623,1624,1625,1627,1628,1629,
 &end
#
#   97   GLN       H  96   VAL     QQG    4.50   (#         522:25)
 &rst
  ixpk= 522, nxpk= 25, iat=1541,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1531,1532,1533,1535,1536,1537,
 &end
#
#  103   GLU      QG 100   LEU     QQD    5.50   (#         524:25)
 &rst
  ixpk= 524, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1650,1651,
 igr2=1604,1605,1606,1608,1609,1610,
 &end
#
#   97   GLN     QE2  92   LEU     QQD    5.50   (#         527:25)
 &rst
  ixpk= 527, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1553,1554,
 igr2=1476,1477,1478,1480,1481,1482,
 &end
#
#  103   GLU       H 100   LEU     QQD    5.50   (#         528:25)
 &rst
  ixpk= 528, nxpk= 25, iat=1643,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1604,1605,1606,1608,1609,1610,
 &end
#
#  104   TRP     HE1 100   LEU     QQD    5.50   (#         530:25)
 &rst
  ixpk= 530, nxpk= 25, iat=1668,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1604,1605,1606,1608,1609,1610,
 &end
#
#  107   THR     QG2 104   TRP      HA    4.50   (#         544:25)
 &rst
  ixpk= 544, nxpk= 25, iat=  -1,1660, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1734,1735,1736,
 &end
#
#   92   LEU     QD1  92   LEU     QD2    3.50   (#         547:25)
 &rst
  ixpk= 547, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1476,1477,1478,
 igr2=1480,1481,1482,
 &end
#
#   92   LEU     QQD  92   LEU      QB    3.50   (#         548:25)
 &rst
  ixpk= 548, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1476,1477,1478,1480,1481,1482,
 igr2=1471,1472,
 &end
#
#   92   LEU     QQD  88   VAL     QQG    4.50   (#         549:25)
 &rst
  ixpk= 549, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1476,1477,1478,1480,1481,1482,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#   92   LEU     QQD  92   LEU      QB    4.50   (#         552:25)
 &rst
  ixpk= 552, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1476,1477,1478,1480,1481,1482,
 igr2=1471,1472,
 &end
#
#   92   LEU     QQD  93   PRO      QG    3.50   (#         554:25)
 &rst
  ixpk= 554, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1476,1477,1478,1480,1481,1482,
 igr2=1490,1491,
 &end
#
#   92   LEU     QQD  89   PHE      QB    5.50   (#         555:25)
 &rst
  ixpk= 555, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1476,1477,1478,1480,1481,1482,
 igr2=1415,1416,
 &end
#
#   92   LEU     QQD  93   PRO      QD    3.50   (#         556:25)
 &rst
  ixpk= 556, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1476,1477,1478,1480,1481,1482,
 igr2=1487,1488,
 &end
#
#   92   LEU     QQD  93   PRO      QD    4.50   (#         557:25)
 &rst
  ixpk= 557, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1476,1477,1478,1480,1481,1482,
 igr2=1487,1488,
 &end
#
#   92   LEU     QQD  92   LEU      HA    3.50   (#         558:25)
 &rst
  ixpk= 558, nxpk= 25, iat=  -1,1469, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1476,1477,1478,1480,1481,1482,
 &end
#
#   92   LEU     QQD  89   PHE      QE    5.50   (#         561:25)
 &rst
  ixpk= 561, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1476,1477,1478,1480,1481,1482,
 igr2=1421,1425,
 &end
#
#   92   LEU     QQD  92   LEU       H    4.50   (#         562:25)
 &rst
  ixpk= 562, nxpk= 25, iat=  -1,1467, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1476,1477,1478,1480,1481,1482,
 &end
#
#   92   LEU      HA  92   LEU     QQD    5.50   (#         567:25)
 &rst
  ixpk= 567, nxpk= 25, iat=1469,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1476,1477,1478,1480,1481,1482,
 &end
#
#  107   THR     QG2 108   GLY       H    5.50   (#         571:25)
 &rst
  ixpk= 571, nxpk= 25, iat=  -1,1742, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1734,1735,1736,
 &end
#
#   99   GLU      QB  99   GLU      HA    3.50   (#         572:25)
 &rst
  ixpk= 572, nxpk= 25, iat=  -1,1582, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1584,1585,
 &end
#
#   99   GLU       H  99   GLU      HA    4.50   (#         574:25)
 &rst
  ixpk= 574, nxpk= 25, iat=1580,1582, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   87   GLN      HA  90   TYR       H    5.50   (#         575:25)
 &rst
  ixpk= 575, nxpk= 25, iat=1380,1431, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   85   ASP       H  84   ILE      HA    4.50   (#         576:25)
 &rst
  ixpk= 576, nxpk= 25, iat=1352,1335, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  100   LEU      HA 100   LEU      QB    3.50   (#         584:25)
 &rst
  ixpk= 584, nxpk= 25, iat=1597,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1599,1600,
 &end
#
#  100   LEU      HA 103   GLU       H    5.50   (#         585:25)
 &rst
  ixpk= 585, nxpk= 25, iat=1597,1643, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  100   LEU      HA 102   ALA       H    5.50   (#         586:25)
 &rst
  ixpk= 586, nxpk= 25, iat=1597,1633, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  102   ALA      QB 103   GLU       H    3.50   (#         604:25)
 &rst
  ixpk= 604, nxpk= 25, iat=  -1,1643, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1637,1638,1639,
 &end
#
#  102   ALA      QB 101   LEU       H    4.50   (#         605:25)
 &rst
  ixpk= 605, nxpk= 25, iat=  -1,1614, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1637,1638,1639,
 &end
#
#   84   ILE     QG2  88   VAL     QQG    4.50   (#         617:25)
 &rst
  ixpk= 617, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1339,1340,1341,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#   84   ILE     QG2  81   PRO      QG    5.50   (#         618:25)
 &rst
  ixpk= 618, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1339,1340,1341,
 igr2=1300,1301,
 &end
#
#   84   ILE     QG2 100   LEU      HG    5.50   (#         619:25)
 &rst
  ixpk= 619, nxpk= 25, iat=  -1,1602, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1339,1340,1341,
 &end
#
#   84   ILE     QG2  84   ILE      HB    3.50   (#         620:25)
 &rst
  ixpk= 620, nxpk= 25, iat=  -1,1337, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1339,1340,1341,
 &end
#
#   84   ILE     QG2  83   ASP      QB    7.00   (#         622:25)
 &rst
  ixpk= 622, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1339,1340,1341,
 igr2=1325,1326,
 &end
#
#   84   ILE     QG2  85   ASP      QB    5.50   (#         623:25)
 &rst
  ixpk= 623, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1339,1340,1341,
 igr2=1356,1357,
 &end
#
#   84   ILE     QG2  89   PHE      HA    5.50   (#         624:25)
 &rst
  ixpk= 624, nxpk= 25, iat=  -1,1413, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1339,1340,1341,
 &end
#
#   84   ILE     QG2  84   ILE      HA    4.50   (#         625:25)
 &rst
  ixpk= 625, nxpk= 25, iat=  -1,1335, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1339,1340,1341,
 &end
#
#   84   ILE     QG2  81   PRO      HA    7.00   (#         626:25)
 &rst
  ixpk= 626, nxpk= 25, iat=  -1,1306, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1339,1340,1341,
 &end
#
#   84   ILE     QG2  83   ASP      HA    5.50   (#         627:25)
 &rst
  ixpk= 627, nxpk= 25, iat=  -1,1323, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1339,1340,1341,
 &end
#
#   84   ILE     QG2 104   TRP     HH2    3.50   (#         630:25)
 &rst
  ixpk= 630, nxpk= 25, iat=  -1,1673, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1339,1340,1341,
 &end
#
#   84   ILE     QG2  84   ILE       H    4.50   (#         631:25)
 &rst
  ixpk= 631, nxpk= 25, iat=  -1,1333, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1339,1340,1341,
 &end
#
#   84   ILE     QG2  89   PHE      QE    5.50   (#         632:25)
 &rst
  ixpk= 632, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1339,1340,1341,
 igr2=1421,1425,
 &end
#
#   84   ILE     QG2 104   TRP     HZ2    5.50   (#         633:25)
 &rst
  ixpk= 633, nxpk= 25, iat=  -1,1671, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1339,1340,1341,
 &end
#
#   84   ILE     QG2  89   PHE       H    5.50   (#         634:25)
 &rst
  ixpk= 634, nxpk= 25, iat=  -1,1411, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1339,1340,1341,
 &end
#
#   84   ILE     QG2  85   ASP       H    4.50   (#         635:25)
 &rst
  ixpk= 635, nxpk= 25, iat=  -1,1352, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1339,1340,1341,
 &end
#
#   78   HIS      QB  78   HIS      HA    3.50   (#         642:25)
 &rst
  ixpk= 642, nxpk= 25, iat=  -1,1244, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1246,1247,
 &end
#
#  102   ALA      QB 104   TRP      HA    7.00   (#         644:25)
 &rst
  ixpk= 644, nxpk= 25, iat=  -1,1660, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1637,1638,1639,
 &end
#
#   98   LYS       H  95   ALA      HA    5.50   (#         651:25)
 &rst
  ixpk= 651, nxpk= 25, iat=1558,1517, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  102   ALA      HA 106   ARG       H    5.50   (#         677:25)
 &rst
  ixpk= 677, nxpk= 25, iat=1635,1704, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   83   ASP      HA  82   SER      QB    5.50   (#         683:25)
 &rst
  ixpk= 683, nxpk= 25, iat=1323,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1314,1315,
 &end
#
#   83   ASP      HA  82   SER      HA    5.50   (#         684:25)
 &rst
  ixpk= 684, nxpk= 25, iat=1323,1312, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   83   ASP      HA  84   ILE     QD1    5.50   (#         685:25)
 &rst
  ixpk= 685, nxpk= 25, iat=1323,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1346,1347,1348,
 &end
#
#   86   PRO      QD  86   PRO      QG    4.50   (#         699:25)
 &rst
  ixpk= 699, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1365,1366,
 igr2=1368,1369,
 &end
#
#   86   PRO      QD  86   PRO      QG    3.50   (#         700:25)
 &rst
  ixpk= 700, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1365,1366,
 igr2=1368,1369,
 &end
#
#   86   PRO      QD  85   ASP      HA    4.50   (#         704:25)
 &rst
  ixpk= 704, nxpk= 25, iat=  -1,1354, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1365,1366,
 &end
#
#   86   PRO      QD  85   ASP      HA    4.50   (#         705:25)
 &rst
  ixpk= 705, nxpk= 25, iat=  -1,1354, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1365,1366,
 &end
#
#   86   PRO      QD  86   PRO      QG    3.50   (#         707:25)
 &rst
  ixpk= 707, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1365,1366,
 igr2=1368,1369,
 &end
#
#   86   PRO      QD  86   PRO      QG    4.50   (#         708:25)
 &rst
  ixpk= 708, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1365,1366,
 igr2=1368,1369,
 &end
#
#   86   PRO      QD  87   GLN       H    5.50   (#         709:25)
 &rst
  ixpk= 709, nxpk= 25, iat=  -1,1378, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1365,1366,
 &end
#
#   86   PRO      QD  87   GLN       H    5.50   (#         710:25)
 &rst
  ixpk= 710, nxpk= 25, iat=  -1,1378, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1365,1366,
 &end
#
#   92   LEU     QQD  93   PRO      QD    5.50   (#         730:25)
 &rst
  ixpk= 730, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1476,1477,1478,1480,1481,1482,
 igr2=1487,1488,
 &end
#
#   92   LEU     QQD  93   PRO      QD    4.50   (#         731:25)
 &rst
  ixpk= 731, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1476,1477,1478,1480,1481,1482,
 igr2=1487,1488,
 &end
#
#   92   LEU      QB  93   PRO      QD    4.50   (#         732:25)
 &rst
  ixpk= 732, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1471,1472,
 igr2=1487,1488,
 &end
#
#   93   PRO      QG  93   PRO      QD    4.50   (#         733:25)
 &rst
  ixpk= 733, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1490,1491,
 igr2=1487,1488,
 &end
#
#   84   ILE     QD1  84   ILE     QG1    4.50   (#         734:25)
 &rst
  ixpk= 734, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1346,1347,1348,
 igr2=1343,1344,
 &end
#
#   84   ILE     QD1  88   VAL     QQG    5.50   (#         735:25)
 &rst
  ixpk= 735, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1346,1347,1348,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#   84   ILE     QD1  81   PRO      QG    4.50   (#         736:25)
 &rst
  ixpk= 736, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1346,1347,1348,
 igr2=1300,1301,
 &end
#
#   84   ILE     QD1  81   PRO      QB    5.50   (#         737:25)
 &rst
  ixpk= 737, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1346,1347,1348,
 igr2=1303,1304,
 &end
#
#   84   ILE     QD1  84   ILE      HB    3.50   (#         738:25)
 &rst
  ixpk= 738, nxpk= 25, iat=  -1,1337, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1346,1347,1348,
 &end
#
#   84   ILE     QD1  81   PRO      QD    4.50   (#         739:25)
 &rst
  ixpk= 739, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1346,1347,1348,
 igr2=1297,1298,
 &end
#
#   84   ILE     QD1  83   ASP      QB    4.50   (#         741:25)
 &rst
  ixpk= 741, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1346,1347,1348,
 igr2=1325,1326,
 &end
#
#   84   ILE     QD1  81   PRO      QD    4.50   (#         742:25)
 &rst
  ixpk= 742, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1346,1347,1348,
 igr2=1297,1298,
 &end
#
#   84   ILE     QD1  84   ILE      HA    4.50   (#         744:25)
 &rst
  ixpk= 744, nxpk= 25, iat=  -1,1335, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1346,1347,1348,
 &end
#
#   84   ILE     QD1  81   PRO      HA    7.00   (#         745:25)
 &rst
  ixpk= 745, nxpk= 25, iat=  -1,1306, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1346,1347,1348,
 &end
#
#   84   ILE     QD1  83   ASP      HA    5.50   (#         746:25)
 &rst
  ixpk= 746, nxpk= 25, iat=  -1,1323, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1346,1347,1348,
 &end
#
#   84   ILE     QD1   9   THR      HB    7.00   (#         747:25)
 &rst
  ixpk= 747, nxpk= 25, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1346,1347,1348,
 &end
#
#   84   ILE     QD1  84   ILE       H    4.50   (#         751:25)
 &rst
  ixpk= 751, nxpk= 25, iat=  -1,1333, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1346,1347,1348,
 &end
#
#   84   ILE     QD1 104   TRP     HZ2    4.50   (#         752:25)
 &rst
  ixpk= 752, nxpk= 25, iat=  -1,1671, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1346,1347,1348,
 &end
#
#   84   ILE     QD1  83   ASP       H    5.50   (#         753:25)
 &rst
  ixpk= 753, nxpk= 25, iat=  -1,1321, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1346,1347,1348,
 &end
#
#   84   ILE     QD1  85   ASP       H    4.50   (#         754:25)
 &rst
  ixpk= 754, nxpk= 25, iat=  -1,1352, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1346,1347,1348,
 &end
#
#  106   ARG      QD 103   GLU      HA    5.50   (#         775:25)
 &rst
  ixpk= 775, nxpk= 25, iat=  -1,1645, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1714,1715,
 &end
#
#  106   ARG      QD 106   ARG      HA    4.50   (#         776:25)
 &rst
  ixpk= 776, nxpk= 25, iat=  -1,1706, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1714,1715,
 &end
#
#  106   ARG      QD 106   ARG       H    5.50   (#         781:25)
 &rst
  ixpk= 781, nxpk= 25, iat=  -1,1704, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1714,1715,
 &end
#
#   85   ASP      QB  88   VAL     QQG    5.50   (#         782:25)
 &rst
  ixpk= 782, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1356,1357,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#   85   ASP      QB  88   VAL     QQG    5.50   (#         783:25)
 &rst
  ixpk= 783, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1356,1357,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#   85   ASP      QB  86   PRO      HA    5.50   (#         784:25)
 &rst
  ixpk= 784, nxpk= 25, iat=  -1,1374, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1356,1357,
 &end
#
#   85   ASP      QB  86   PRO      HA    7.00   (#         785:25)
 &rst
  ixpk= 785, nxpk= 25, iat=  -1,1374, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1356,1357,
 &end
#
#   85   ASP      QB  86   PRO      QD    4.50   (#         787:25)
 &rst
  ixpk= 787, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1356,1357,
 igr2=1365,1366,
 &end
#
#   85   ASP      QB  86   PRO      QD    4.50   (#         788:25)
 &rst
  ixpk= 788, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1356,1357,
 igr2=1365,1366,
 &end
#
#   85   ASP      QB  85   ASP      HA    5.50   (#         789:25)
 &rst
  ixpk= 789, nxpk= 25, iat=  -1,1354, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1356,1357,
 &end
#
#   85   ASP      QB  85   ASP       H    4.50   (#         790:25)
 &rst
  ixpk= 790, nxpk= 25, iat=  -1,1352, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1356,1357,
 &end
#
#   85   ASP      QB  85   ASP       H    4.50   (#         791:25)
 &rst
  ixpk= 791, nxpk= 25, iat=  -1,1352, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1356,1357,
 &end
#
#  100   LEU       H 100   LEU      QB    4.50   (#         799:25)
 &rst
  ixpk= 799, nxpk= 25, iat=1595,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1599,1600,
 &end
#
#   89   PHE      QE 100   LEU      QB    7.00   (#         800:25)
 &rst
  ixpk= 800, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1421,1425,
 igr2=1599,1600,
 &end
#
#   97   GLN      HA 100   LEU      QB    5.50   (#         801:25)
 &rst
  ixpk= 801, nxpk= 25, iat=1543,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1599,1600,
 &end
#
#   92   LEU      QB  93   PRO      QD    5.50   (#         802:25)
 &rst
  ixpk= 802, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1471,1472,
 igr2=1487,1488,
 &end
#
#   92   LEU      QB  93   PRO      QD    5.50   (#         803:25)
 &rst
  ixpk= 803, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1471,1472,
 igr2=1487,1488,
 &end
#
#   89   PHE      QB  88   VAL     QQG    5.50   (#         808:25)
 &rst
  ixpk= 808, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1415,1416,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#   89   PHE      QB  84   ILE     QG1    5.50   (#         809:25)
 &rst
  ixpk= 809, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1415,1416,
 igr2=1343,1344,
 &end
#
#   89   PHE      QB  89   PHE      HA    4.50   (#         810:25)
 &rst
  ixpk= 810, nxpk= 25, iat=  -1,1413, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1415,1416,
 &end
#
#   96   VAL     QQG  99   GLU      QG    5.50   (#         823:25)
 &rst
  ixpk= 823, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1531,1532,1533,1535,1536,1537,
 igr2=1587,1588,
 &end
#
#   97   GLN      QG  96   VAL      HB    4.50   (#         831:25)
 &rst
  ixpk= 831, nxpk= 25, iat=  -1,1529, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1548,1549,
 &end
#
#   97   GLN      QG  97   GLN      QB    3.50   (#         832:25)
 &rst
  ixpk= 832, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1548,1549,
 igr2=1545,1546,
 &end
#
#   97   GLN      QG  97   GLN      HA    4.50   (#         833:25)
 &rst
  ixpk= 833, nxpk= 25, iat=  -1,1543, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1548,1549,
 &end
#
#   97   GLN      QG  97   GLN     QE2    4.50   (#         834:25)
 &rst
  ixpk= 834, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1548,1549,
 igr2=1553,1554,
 &end
#
#   97   GLN      QG  89   PHE      QE    4.50   (#         835:25)
 &rst
  ixpk= 835, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1548,1549,
 igr2=1421,1425,
 &end
#
#   97   GLN      QG  97   GLN     QE2    4.50   (#         836:25)
 &rst
  ixpk= 836, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1548,1549,
 igr2=1553,1554,
 &end
#
#   97   GLN      QG  98   LYS       H    4.50   (#         837:25)
 &rst
  ixpk= 837, nxpk= 25, iat=  -1,1558, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1548,1549,
 &end
#
#  105   LYS      QB 105   LYS      QE    4.50   (#         838:25)
 &rst
  ixpk= 838, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1686,1687,
 igr2=1695,1696,
 &end
#
#  107   THR      HB 107   THR       H    5.50   (#         841:25)
 &rst
  ixpk= 841, nxpk= 25, iat=1732,1728, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   93   PRO      HA  93   PRO      QB    4.50   (#         842:25)
 &rst
  ixpk= 842, nxpk= 25, iat=1496,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1493,1494,
 &end
#
#   92   LEU      HA  93   PRO      QB    5.50   (#         843:25)
 &rst
  ixpk= 843, nxpk= 25, iat=1469,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1493,1494,
 &end
#
#   97   GLN      HA  93   PRO      QB    7.00   (#         844:25)
 &rst
  ixpk= 844, nxpk= 25, iat=1543,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1493,1494,
 &end
#
#   93   PRO      QD  93   PRO      QB    5.50   (#         845:25)
 &rst
  ixpk= 845, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1487,1488,
 igr2=1493,1494,
 &end
#
#   93   PRO      QG  93   PRO      QB    4.50   (#         846:25)
 &rst
  ixpk= 846, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1490,1491,
 igr2=1493,1494,
 &end
#
#   96   VAL     QQG  93   PRO      QB    5.50   (#         848:25)
 &rst
  ixpk= 848, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1531,1532,1533,1535,1536,1537,
 igr2=1493,1494,
 &end
#
#   92   LEU     QQD  93   PRO      QB    5.50   (#         849:25)
 &rst
  ixpk= 849, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1476,1477,1478,1480,1481,1482,
 igr2=1493,1494,
 &end
#
#   97   GLN     QE2  93   PRO      QB    5.50   (#         850:25)
 &rst
  ixpk= 850, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1553,1554,
 igr2=1493,1494,
 &end
#
#   82   SER       H  81   PRO      QB    5.50   (#         851:25)
 &rst
  ixpk= 851, nxpk= 25, iat=1310,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1303,1304,
 &end
#
#   78   HIS      HA  78   HIS      QB    4.50   (#         854:25)
 &rst
  ixpk= 854, nxpk= 25, iat=1244,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1246,1247,
 &end
#
#   78   HIS      HA  78   HIS      QB    4.50   (#         855:25)
 &rst
  ixpk= 855, nxpk= 25, iat=1244,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1246,1247,
 &end
#
#   78   HIS      QB  78   HIS     HD2    4.50   (#         856:25)
 &rst
  ixpk= 856, nxpk= 25, iat=  -1,1255, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1246,1247,
 &end
#
#   78   HIS      QB  78   HIS     HD2    4.50   (#         857:25)
 &rst
  ixpk= 857, nxpk= 25, iat=  -1,1255, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1246,1247,
 &end
#
#   96   VAL      HA  96   VAL      HB    4.50   (#         859:25)
 &rst
  ixpk= 859, nxpk= 25, iat=1527,1529, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   81   PRO      QB  84   ILE     QD1    5.50   (#         861:25)
 &rst
  ixpk= 861, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1303,1304,
 igr2=1346,1347,1348,
 &end
#
#  100   LEU     QQD  96   VAL      HB    5.50   (#         862:25)
 &rst
  ixpk= 862, nxpk= 25, iat=  -1,1529, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1604,1605,1606,1608,1609,1610,
 &end
#
#   91   GLU      QB  91   GLU      HA    4.50   (#         868:25)
 &rst
  ixpk= 868, nxpk= 25, iat=  -1,1454, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1456,1457,
 &end
#
#   91   GLU      QB  91   GLU      QG    4.50   (#         869:25)
 &rst
  ixpk= 869, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1456,1457,
 igr2=1459,1460,
 &end
#
#   96   VAL     QQG  99   GLU      QB    4.50   (#         870:25)
 &rst
  ixpk= 870, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1531,1532,1533,1535,1536,1537,
 igr2=1584,1585,
 &end
#
#  104   TRP      HA 103   GLU      QB    5.50   (#         874:25)
 &rst
  ixpk= 874, nxpk= 25, iat=1660,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1647,1648,
 &end
#
#  105   LYS      QD 104   TRP      HA    7.00   (#         875:25)
 &rst
  ixpk= 875, nxpk= 25, iat=  -1,1660, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1692,1693,
 &end
#
#   96   VAL     QQG  99   GLU      QB    4.50   (#         876:25)
 &rst
  ixpk= 876, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1531,1532,1533,1535,1536,1537,
 igr2=1584,1585,
 &end
#
#  104   TRP      QB 105   LYS       H    5.50   (#         877:25)
 &rst
  ixpk= 877, nxpk= 25, iat=  -1,1682, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1662,1663,
 &end
#
#  104   TRP      QB 104   TRP     HD1    5.50   (#         878:25)
 &rst
  ixpk= 878, nxpk= 25, iat=  -1,1666, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1662,1663,
 &end
#
#  104   TRP      QB 101   LEU      HA    5.50   (#         879:25)
 &rst
  ixpk= 879, nxpk= 25, iat=  -1,1616, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1662,1663,
 &end
#
#   88   VAL      HA  89   PHE      QB    5.50   (#         882:25)
 &rst
  ixpk= 882, nxpk= 25, iat=1397,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1415,1416,
 &end
#
#   88   VAL      HA  88   VAL       H    4.50   (#         883:25)
 &rst
  ixpk= 883, nxpk= 25, iat=1397,1395, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   88   VAL      HA  89   PHE       H    5.50   (#         884:25)
 &rst
  ixpk= 884, nxpk= 25, iat=1397,1411, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   88   VAL      HA  91   GLU       H    5.50   (#         885:25)
 &rst
  ixpk= 885, nxpk= 25, iat=1397,1452, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   96   VAL      HA  97   GLN       H    5.50   (#         886:25)
 &rst
  ixpk= 886, nxpk= 25, iat=1527,1541, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   96   VAL      HA 100   LEU       H    5.50   (#         887:25)
 &rst
  ixpk= 887, nxpk= 25, iat=1527,1595, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   96   VAL      HA  99   GLU      QG    5.50   (#         888:25)
 &rst
  ixpk= 888, nxpk= 25, iat=1527,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1587,1588,
 &end
#
#   96   VAL      HA 100   LEU      QB    5.50   (#         889:25)
 &rst
  ixpk= 889, nxpk= 25, iat=1527,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1599,1600,
 &end
#
#   96   VAL      HA  95   ALA      QB    5.50   (#         890:25)
 &rst
  ixpk= 890, nxpk= 25, iat=1527,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1519,1520,1521,
 &end
#
#   86   PRO      HA  84   ILE     QG2    5.50   (#         891:25)
 &rst
  ixpk= 891, nxpk= 25, iat=1374,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1339,1340,1341,
 &end
#
#   86   PRO      HA  86   PRO      QG    4.50   (#         892:25)
 &rst
  ixpk= 892, nxpk= 25, iat=1374,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1368,1369,
 &end
#
#   86   PRO      HA  89   PHE      QB    7.00   (#         893:25)
 &rst
  ixpk= 893, nxpk= 25, iat=1374,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1415,1416,
 &end
#
#   86   PRO      HA  90   TYR      QB    5.50   (#         894:25)
 &rst
  ixpk= 894, nxpk= 25, iat=1374,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1435,1436,
 &end
#
#   86   PRO      HA  86   PRO      QD    5.50   (#         895:25)
 &rst
  ixpk= 895, nxpk= 25, iat=1374,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1365,1366,
 &end
#
#   86   PRO      HA  89   PHE       H    5.50   (#         896:25)
 &rst
  ixpk= 896, nxpk= 25, iat=1374,1411, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   86   PRO      HA  87   GLN       H    5.50   (#         897:25)
 &rst
  ixpk= 897, nxpk= 25, iat=1374,1378, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   96   VAL      HA 100   LEU     QQD    7.00   (#         898:25)
 &rst
  ixpk= 898, nxpk= 25, iat=1527,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2=1604,1605,1606,1608,1609,1610,
 &end
#
#  101   LEU      HG 101   LEU       H    4.50   (#         899:25)
 &rst
  ixpk= 899, nxpk= 25, iat=1621,1614, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  101   LEU      HG 101   LEU      HA    4.50   (#         901:25)
 &rst
  ixpk= 901, nxpk= 25, iat=1621,1616, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  101   LEU      HG 101   LEU     QQD    3.50   (#         902:25)
 &rst
  ixpk= 902, nxpk= 25, iat=1621,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1623,1624,1625,1627,1628,1629,
 &end
#
#  100   LEU      HG 100   LEU      QB    3.50   (#         903:25)
 &rst
  ixpk= 903, nxpk= 25, iat=1602,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1599,1600,
 &end
#
#  100   LEU      HG 100   LEU     QQD    3.50   (#         904:25)
 &rst
  ixpk= 904, nxpk= 25, iat=1602,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1604,1605,1606,1608,1609,1610,
 &end
#
#  100   LEU      HG 100   LEU       H    5.50   (#         905:25)
 &rst
  ixpk= 905, nxpk= 25, iat=1602,1595, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   83   ASP      QB  81   PRO      QG    5.50   (#         906:25)
 &rst
  ixpk= 906, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1325,1326,
 igr2=1300,1301,
 &end
#
#   99   GLU      QG 100   LEU     QQD    7.00   (#         907:25)
 &rst
  ixpk= 907, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1=1587,1588,
 igr2=1604,1605,1606,1608,1609,1610,
 &end
#
#   84   ILE     QG1  81   PRO      QB    5.50   (#         909:25)
 &rst
  ixpk= 909, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1343,1344,
 igr2=1303,1304,
 &end
#
#   84   ILE      HB  85   ASP      QB    5.50   (#         910:25)
 &rst
  ixpk= 910, nxpk= 25, iat=1337,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1356,1357,
 &end
#
#  101   LEU      HG 102   ALA       H    5.50   (#         913:25)
 &rst
  ixpk= 913, nxpk= 25, iat=1621,1633, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   92   LEU      HG  92   LEU     QQD    3.50   (#         919:25)
 &rst
  ixpk= 919, nxpk= 25, iat=1474,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1476,1477,1478,1480,1481,1482,
 &end
#
#   92   LEU      HG  92   LEU     QQD    3.50   (#         920:25)
 &rst
  ixpk= 920, nxpk= 25, iat=1474,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1476,1477,1478,1480,1481,1482,
 &end
#
#   92   LEU      HG  92   LEU     QQD    3.50   (#         921:25)
 &rst
  ixpk= 921, nxpk= 25, iat=1474,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1476,1477,1478,1480,1481,1482,
 &end
#
#   92   LEU      HG  92   LEU       H    4.50   (#         922:25)
 &rst
  ixpk= 922, nxpk= 25, iat=1474,1467, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   82   SER      QB  81   PRO      HA    5.50   (#         926:25)
 &rst
  ixpk= 926, nxpk= 25, iat=  -1,1306, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1314,1315,
 &end
#
#   82   SER      QB  83   ASP      HA    5.50   (#         927:25)
 &rst
  ixpk= 927, nxpk= 25, iat=  -1,1323, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1314,1315,
 &end
#
#   82   SER      QB  84   ILE       H    5.50   (#         929:25)
 &rst
  ixpk= 929, nxpk= 25, iat=  -1,1333, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1314,1315,
 &end
#
#   89   PHE      HA  84   ILE      HB    7.00   (#         933:25)
 &rst
  ixpk= 933, nxpk= 25, iat=1413,1337, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   89   PHE      HA  92   LEU      HG    4.50   (#         934:25)
 &rst
  ixpk= 934, nxpk= 25, iat=1413,1474, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   89   PHE      HA  89   PHE      QB    4.50   (#         935:25)
 &rst
  ixpk= 935, nxpk= 25, iat=1413,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1415,1416,
 &end
#
#   89   PHE      HA  89   PHE      QB    4.50   (#         936:25)
 &rst
  ixpk= 936, nxpk= 25, iat=1413,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1415,1416,
 &end
#
#   89   PHE      HA  92   LEU       H    4.50   (#         937:25)
 &rst
  ixpk= 937, nxpk= 25, iat=1413,1467, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   89   PHE      HA  89   PHE       H    4.50   (#         938:25)
 &rst
  ixpk= 938, nxpk= 25, iat=1413,1411, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   89   PHE      HA  90   TYR       H    5.50   (#         939:25)
 &rst
  ixpk= 939, nxpk= 25, iat=1413,1431, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   81   PRO      QG  81   PRO      HA    4.50   (#         941:25)
 &rst
  ixpk= 941, nxpk= 25, iat=  -1,1306, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1300,1301,
 &end
#
#   81   PRO      QB  81   PRO      HA    4.50   (#         942:25)
 &rst
  ixpk= 942, nxpk= 25, iat=  -1,1306, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1303,1304,
 &end
#
#   81   PRO      QB  81   PRO      HA    3.50   (#         943:25)
 &rst
  ixpk= 943, nxpk= 25, iat=  -1,1306, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1303,1304,
 &end
#
#   93   PRO      HA  93   PRO      QB    3.50   (#         944:25)
 &rst
  ixpk= 944, nxpk= 25, iat=1496,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1493,1494,
 &end
#
#   93   PRO      HA  92   LEU      QB    5.50   (#         945:25)
 &rst
  ixpk= 945, nxpk= 25, iat=1496,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1471,1472,
 &end
#
#   93   PRO      HA  94   GLU       H    4.50   (#         947:25)
 &rst
  ixpk= 947, nxpk= 25, iat=1496,1500, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   93   PRO      QG  92   LEU     QQD    4.50   (#         951:25)
 &rst
  ixpk= 951, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1490,1491,
 igr2=1476,1477,1478,1480,1481,1482,
 &end
#
#  100   LEU      QB  97   GLN      HA    5.50   (#         952:25)
 &rst
  ixpk= 952, nxpk= 25, iat=  -1,1543, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1599,1600,
 &end
#
#   97   GLN      QB  97   GLN      HA    4.50   (#         953:25)
 &rst
  ixpk= 953, nxpk= 25, iat=  -1,1543, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1545,1546,
 &end
#
#   84   ILE     QD1  84   ILE     QG1    3.50   (#         959:25)
 &rst
  ixpk= 959, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1346,1347,1348,
 igr2=1343,1344,
 &end
#
#   85   ASP      QB  85   ASP      HA    5.50   (#         960:25)
 &rst
  ixpk= 960, nxpk= 25, iat=  -1,1354, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1356,1357,
 &end
#
#  106   ARG      QB 107   THR     QG2    5.50   (#         964:25)
 &rst
  ixpk= 964, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1708,1709,
 igr2=1734,1735,1736,
 &end
#
#  106   ARG      QG 106   ARG       H    5.50   (#         965:25)
 &rst
  ixpk= 965, nxpk= 25, iat=  -1,1704, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1711,1712,
 &end
#
#  104   TRP      HA 106   ARG      QG    7.00   (#         966:25)
 &rst
  ixpk= 966, nxpk= 25, iat=1660,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1711,1712,
 &end
#
#  106   ARG      QG 103   GLU      HA    5.50   (#         967:25)
 &rst
  ixpk= 967, nxpk= 25, iat=  -1,1645, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1711,1712,
 &end
#
#  106   ARG      QG 103   GLU      HA    7.00   (#         968:25)
 &rst
  ixpk= 968, nxpk= 25, iat=  -1,1645, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1711,1712,
 &end
#
#  106   ARG      HA 103   GLU      HA    5.50   (#         969:25)
 &rst
  ixpk= 969, nxpk= 25, iat=1706,1645, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  106   ARG      HA 108   GLY      QA    5.50   (#         970:25)
 &rst
  ixpk= 970, nxpk= 25, iat=1706,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1744,1745,
 &end
#
#  107   THR      HA 103   GLU      QB    7.00   (#         971:25)
 &rst
  ixpk= 971, nxpk= 25, iat=1730,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1647,1648,
 &end
#
#  107   THR      HA 106   ARG      QG    5.50   (#         972:25)
 &rst
  ixpk= 972, nxpk= 25, iat=1730,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1711,1712,
 &end
#
#  107   THR      HA 103   GLU      HA    7.00   (#         973:25)
 &rst
  ixpk= 973, nxpk= 25, iat=1730,1645, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  107   THR      HA 108   GLY       H    4.50   (#         974:25)
 &rst
  ixpk= 974, nxpk= 25, iat=1730,1742, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  107   THR      HA 107   THR       H    4.50   (#         975:25)
 &rst
  ixpk= 975, nxpk= 25, iat=1730,1728, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  107   THR     QG2 106   ARG       H    5.50   (#         976:25)
 &rst
  ixpk= 976, nxpk= 25, iat=  -1,1704, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1734,1735,1736,
 &end
#
#  105   LYS      QE 104   TRP      QB    5.50   (#         977:25)
 &rst
  ixpk= 977, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1695,1696,
 igr2=1662,1663,
 &end
#
#   98   LYS      QE  98   LYS      HA    5.50   (#         978:25)
 &rst
  ixpk= 978, nxpk= 25, iat=  -1,1560, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1571,1572,
 &end
#
#   98   LYS      QE  97   GLN      HA    5.50   (#         980:25)
 &rst
  ixpk= 980, nxpk= 25, iat=  -1,1543, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1571,1572,
 &end
#
#   98   LYS      QE  98   LYS       H    7.00   (#         981:25)
 &rst
  ixpk= 981, nxpk= 25, iat=  -1,1558, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1571,1572,
 &end
#
#  103   GLU      QB 100   LEU     QQD    5.50   (#         982:25)
 &rst
  ixpk= 982, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1647,1648,
 igr2=1604,1605,1606,1608,1609,1610,
 &end
#
#  103   GLU      QG 100   LEU     QQD    7.00   (#         983:25)
 &rst
  ixpk= 983, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1=1650,1651,
 igr2=1604,1605,1606,1608,1609,1610,
 &end
#
#  103   GLU      QG 100   LEU      HA    5.50   (#         984:25)
 &rst
  ixpk= 984, nxpk= 25, iat=  -1,1597, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1650,1651,
 &end
#
#  103   GLU      QG 104   TRP      HA    5.50   (#         985:25)
 &rst
  ixpk= 985, nxpk= 25, iat=  -1,1660, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1650,1651,
 &end
#
#  105   LYS      QD 102   ALA      HA    5.50   (#         986:25)
 &rst
  ixpk= 986, nxpk= 25, iat=  -1,1635, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1692,1693,
 &end
#
#  102   ALA      QB 103   GLU      QB    4.50   (#         987:25)
 &rst
  ixpk= 987, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1637,1638,1639,
 igr2=1647,1648,
 &end
#
#  102   ALA      QB 101   LEU      QB    5.50   (#         988:25)
 &rst
  ixpk= 988, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1637,1638,1639,
 igr2=1618,1619,
 &end
#
#  102   ALA      QB  99   GLU      QB    5.50   (#         989:25)
 &rst
  ixpk= 989, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1637,1638,1639,
 igr2=1584,1585,
 &end
#
#  102   ALA      QB 105   LYS       H    7.00   (#         990:25)
 &rst
  ixpk= 990, nxpk= 25, iat=  -1,1682, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1637,1638,1639,
 &end
#
#   91   GLU      QG  88   VAL     QQG    7.00   (#         992:25)
 &rst
  ixpk= 992, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1=1459,1460,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#   91   GLU      QG  88   VAL     QQG    7.00   (#         993:25)
 &rst
  ixpk= 993, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1=1459,1460,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#   90   TYR      HA  91   GLU      HA    5.50   (#         994:25)
 &rst
  ixpk= 994, nxpk= 25, iat=1433,1454, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   89   PHE      QB  89   PHE      HA    3.50   (#         995:25)
 &rst
  ixpk= 995, nxpk= 25, iat=  -1,1413, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1415,1416,
 &end
#
#   88   VAL      HB  90   TYR      QB    7.00   (#         996:25)
 &rst
  ixpk= 996, nxpk= 25, iat=1399,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1435,1436,
 &end
#
#   87   GLN      HA  88   VAL     QQG    5.50   (#         997:25)
 &rst
  ixpk= 997, nxpk= 25, iat=1380,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#   87   GLN      HA  87   GLN      QG    4.50   (#         998:25)
 &rst
  ixpk= 998, nxpk= 25, iat=1380,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1385,1386,
 &end
#
#   87   GLN      QB  88   VAL     QQG    5.50   (#         999:25)
 &rst
  ixpk= 999, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1382,1383,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#   87   GLN      QG  86   PRO      QB    5.50   (#        1000:25)
 &rst
  ixpk= 1000, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1385,1386,
 igr2=1371,1372,
 &end
#
#   86   PRO      HA  88   VAL     QQG    7.00   (#        1001:25)
 &rst
  ixpk= 1001, nxpk= 25, iat=1374,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#   86   PRO      HA  90   TYR      QD    5.50   (#        1002:25)
 &rst
  ixpk= 1002, nxpk= 25, iat=1374,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1439,1448,
 &end
#
#   86   PRO      QB  86   PRO      QD    4.50   (#        1004:25)
 &rst
  ixpk= 1004, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1371,1372,
 igr2=1365,1366,
 &end
#
#   86   PRO      QB  90   TYR       H    5.50   (#        1005:25)
 &rst
  ixpk= 1005, nxpk= 25, iat=  -1,1431, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1371,1372,
 &end
#
#   86   PRO      QB  90   TYR      QD    5.50   (#        1006:25)
 &rst
  ixpk= 1006, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1371,1372,
 igr2=1439,1448,
 &end
#
#   86   PRO      QB  90   TYR      QB    5.50   (#        1007:25)
 &rst
  ixpk= 1007, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1371,1372,
 igr2=1435,1436,
 &end
#
#   86   PRO      QG  87   GLN       H    5.50   (#        1008:25)
 &rst
  ixpk= 1008, nxpk= 25, iat=  -1,1378, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1368,1369,
 &end
#
#   86   PRO      QG  85   ASP      HA    7.00   (#        1009:25)
 &rst
  ixpk= 1009, nxpk= 25, iat=  -1,1354, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1368,1369,
 &end
#
#   86   PRO      QG  86   PRO      QD    4.50   (#        1010:25)
 &rst
  ixpk= 1010, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1368,1369,
 igr2=1365,1366,
 &end
#
#   86   PRO      QG  86   PRO      QD    5.50   (#        1011:25)
 &rst
  ixpk= 1011, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1368,1369,
 igr2=1365,1366,
 &end
#
#   86   PRO      QG  86   PRO      HA    5.50   (#        1012:25)
 &rst
  ixpk= 1012, nxpk= 25, iat=  -1,1374, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1368,1369,
 &end
#
#   81   PRO      QB  84   ILE     QD1    7.00   (#        1013:25)
 &rst
  ixpk= 1013, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1303,1304,
 igr2=1346,1347,1348,
 &end
#
#   93   PRO      QG  92   LEU      HA    5.50   (#        1016:25)
 &rst
  ixpk= 1016, nxpk= 25, iat=  -1,1469, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1490,1491,
 &end
#
#   93   PRO      QG  92   LEU      HA    5.50   (#        1017:25)
 &rst
  ixpk= 1017, nxpk= 25, iat=  -1,1469, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1490,1491,
 &end
#
#   93   PRO      QG  93   PRO      HA    5.50   (#        1018:25)
 &rst
  ixpk= 1018, nxpk= 25, iat=  -1,1496, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1490,1491,
 &end
#
#   93   PRO      QG  93   PRO      HA    5.50   (#        1019:25)
 &rst
  ixpk= 1019, nxpk= 25, iat=  -1,1496, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1490,1491,
 &end
#
#   93   PRO      QG  96   VAL       H    5.50   (#        1020:25)
 &rst
  ixpk= 1020, nxpk= 25, iat=  -1,1525, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1490,1491,
 &end
#
#  100   LEU     QQD  96   VAL      HB    4.50   (#        1023:25)
 &rst
  ixpk= 1023, nxpk= 25, iat=  -1,1529, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1604,1605,1606,1608,1609,1610,
 &end
#
#  100   LEU     QQD 101   LEU      HG    5.50   (#        1024:25)
 &rst
  ixpk= 1024, nxpk= 25, iat=  -1,1621, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1604,1605,1606,1608,1609,1610,
 &end
#
#   81   PRO      HA  82   SER      QB    5.50   (#        1025:25)
 &rst
  ixpk= 1025, nxpk= 25, iat=1306,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1314,1315,
 &end
#
#   82   SER      HA  83   ASP       H    4.50   (#        1026:25)
 &rst
  ixpk= 1026, nxpk= 25, iat=1312,1321, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   82   SER      HA  82   SER      QB    3.50   (#        1027:25)
 &rst
  ixpk= 1027, nxpk= 25, iat=1312,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1314,1315,
 &end
#
#   96   VAL      HA  99   GLU      HA    7.00   (#        1028:25)
 &rst
  ixpk= 1028, nxpk= 25, iat=1527,1582, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   94   GLU      QB  94   GLU       H    4.50   (#        1029:25)
 &rst
  ixpk= 1029, nxpk= 25, iat=  -1,1500, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1504,1505,
 &end
#
#   94   GLU      QG  98   LYS      QE    5.50   (#        1030:25)
 &rst
  ixpk= 1030, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1507,1508,
 igr2=1571,1572,
 &end
#
#   94   GLU      QG  98   LYS      QE    5.50   (#        1031:25)
 &rst
  ixpk= 1031, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1507,1508,
 igr2=1571,1572,
 &end
#
#  108   GLY       H 104   TRP      HA    4.50   (#           0:15)
 &rst
  ixpk= 0, nxpk= 15, iat=1742,1660, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  104   TRP     HE1 104   TRP     HZ2    5.50   (#           1:15)
 &rst
  ixpk= 1, nxpk= 15, iat=1668,1671, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  104   TRP     HE1 104   TRP     HD1    5.50   (#           2:15)
 &rst
  ixpk= 2, nxpk= 15, iat=1668,1666, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   85   ASP       H  85   ASP      HA    5.50   (#           3:15)
 &rst
  ixpk= 3, nxpk= 15, iat=1352,1354, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   85   ASP       H  83   ASP      HA    7.00   (#           4:15)
 &rst
  ixpk= 4, nxpk= 15, iat=1352,1323, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   85   ASP       H  86   PRO      QD    5.50   (#           5:15)
 &rst
  ixpk= 5, nxpk= 15, iat=1352,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1365,1366,
 &end
#
#   85   ASP       H  84   ILE      HA    4.50   (#           6:15)
 &rst
  ixpk= 6, nxpk= 15, iat=1352,1335, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   85   ASP       H  85   ASP      QB    4.50   (#           7:15)
 &rst
  ixpk= 7, nxpk= 15, iat=1352,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1356,1357,
 &end
#
#   85   ASP       H  85   ASP      QB    4.50   (#           8:15)
 &rst
  ixpk= 8, nxpk= 15, iat=1352,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1356,1357,
 &end
#
#   85   ASP       H  84   ILE      HB    5.50   (#           9:15)
 &rst
  ixpk= 9, nxpk= 15, iat=1352,1337, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   85   ASP       H  88   VAL     QQG    4.50   (#          10:15)
 &rst
  ixpk= 10, nxpk= 15, iat=1352,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#   85   ASP       H  84   ILE     QG2    4.50   (#          11:15)
 &rst
  ixpk= 11, nxpk= 15, iat=1352,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1339,1340,1341,
 &end
#
#   94   GLU       H  93   PRO      HA    5.50   (#          12:15)
 &rst
  ixpk= 12, nxpk= 15, iat=1500,1496, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   94   GLU       H  94   GLU      QB    5.50   (#          13:15)
 &rst
  ixpk= 13, nxpk= 15, iat=1500,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1504,1505,
 &end
#
#   94   GLU       H  93   PRO      QG    5.50   (#          14:15)
 &rst
  ixpk= 14, nxpk= 15, iat=1500,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1490,1491,
 &end
#
#  100   LEU       H 103   GLU       H    7.00   (#          15:15)
 &rst
  ixpk= 15, nxpk= 15, iat=1595,1643, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  100   LEU       H  99   GLU       H    4.50   (#          16:15)
 &rst
  ixpk= 16, nxpk= 15, iat=1595,1580, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  100   LEU       H  89   PHE      QE    5.50   (#          17:15)
 &rst
  ixpk= 17, nxpk= 15, iat=1595,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1421,1425,
 &end
#
#  100   LEU       H  99   GLU      HA    5.50   (#          18:15)
 &rst
  ixpk= 18, nxpk= 15, iat=1595,1582, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  100   LEU       H 100   LEU      HA    4.50   (#          19:15)
 &rst
  ixpk= 19, nxpk= 15, iat=1595,1597, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  100   LEU       H  99   GLU      QB    4.50   (#          20:15)
 &rst
  ixpk= 20, nxpk= 15, iat=1595,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1584,1585,
 &end
#
#  100   LEU       H  98   LYS      QB    5.50   (#          21:15)
 &rst
  ixpk= 21, nxpk= 15, iat=1595,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1562,1563,
 &end
#
#  100   LEU       H 100   LEU      QB    3.50   (#          22:15)
 &rst
  ixpk= 22, nxpk= 15, iat=1595,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1599,1600,
 &end
#
#  100   LEU       H 101   LEU     QQD    4.50   (#          23:15)
 &rst
  ixpk= 23, nxpk= 15, iat=1595,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1623,1624,1625,1627,1628,1629,
 &end
#
#  100   LEU       H 100   LEU     QQD    7.00   (#          24:15)
 &rst
  ixpk= 24, nxpk= 15, iat=1595,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2=1604,1605,1606,1608,1609,1610,
 &end
#
#  100   LEU       H 100   LEU      QB    5.50   (#          25:15)
 &rst
  ixpk= 25, nxpk= 15, iat=1595,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1599,1600,
 &end
#
#  103   GLU       H 102   ALA      HA    4.50   (#          26:15)
 &rst
  ixpk= 26, nxpk= 15, iat=1643,1635, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  103   GLU       H 103   GLU      QG    4.50   (#          27:15)
 &rst
  ixpk= 27, nxpk= 15, iat=1643,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1650,1651,
 &end
#
#  103   GLU       H 106   ARG      QB    4.50   (#          28:15)
 &rst
  ixpk= 28, nxpk= 15, iat=1643,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1708,1709,
 &end
#
#  103   GLU       H 102   ALA      QB    4.50   (#          29:15)
 &rst
  ixpk= 29, nxpk= 15, iat=1643,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1637,1638,1639,
 &end
#
#  103   GLU       H 104   TRP       H    4.50   (#          30:15)
 &rst
  ixpk= 30, nxpk= 15, iat=1643,1658, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  103   GLU       H 102   ALA       H    4.50   (#          31:15)
 &rst
  ixpk= 31, nxpk= 15, iat=1643,1633, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  103   GLU       H 105   LYS       H    5.50   (#          32:15)
 &rst
  ixpk= 32, nxpk= 15, iat=1643,1682, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  103   GLU       H 101   LEU      HG    5.50   (#          33:15)
 &rst
  ixpk= 33, nxpk= 15, iat=1643,1621, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  103   GLU       H 100   LEU     QQD    5.50   (#          34:15)
 &rst
  ixpk= 34, nxpk= 15, iat=1643,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1604,1605,1606,1608,1609,1610,
 &end
#
#  103   GLU       H  99   GLU      HA    5.50   (#          35:15)
 &rst
  ixpk= 35, nxpk= 15, iat=1643,1582, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  103   GLU       H 100   LEU      HA    5.50   (#          36:15)
 &rst
  ixpk= 36, nxpk= 15, iat=1643,1597, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  103   GLU       H 104   TRP      QB    5.50   (#          37:15)
 &rst
  ixpk= 37, nxpk= 15, iat=1643,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1662,1663,
 &end
#
#  103   GLU       H 104   TRP      HA    7.00   (#          38:15)
 &rst
  ixpk= 38, nxpk= 15, iat=1643,1660, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  103   GLU       H 101   LEU       H    7.00   (#          39:15)
 &rst
  ixpk= 39, nxpk= 15, iat=1643,1614, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   99   GLU       H  99   GLU      HA    4.50   (#          40:15)
 &rst
  ixpk= 40, nxpk= 15, iat=1580,1582, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   99   GLU       H  96   VAL      HA    4.50   (#          41:15)
 &rst
  ixpk= 41, nxpk= 15, iat=1580,1527, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   99   GLU       H  99   GLU      QG    4.50   (#          42:15)
 &rst
  ixpk= 42, nxpk= 15, iat=1580,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1587,1588,
 &end
#
#   99   GLU       H  99   GLU      QB    4.50   (#          43:15)
 &rst
  ixpk= 43, nxpk= 15, iat=1580,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1584,1585,
 &end
#
#   99   GLU       H  98   LYS      QB    4.50   (#          44:15)
 &rst
  ixpk= 44, nxpk= 15, iat=1580,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1562,1563,
 &end
#
#   99   GLU       H  98   LYS      QG    5.50   (#          45:15)
 &rst
  ixpk= 45, nxpk= 15, iat=1580,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1565,1566,
 &end
#
#   99   GLU       H 102   ALA      QB    5.50   (#          46:15)
 &rst
  ixpk= 46, nxpk= 15, iat=1580,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1637,1638,1639,
 &end
#
#   99   GLU       H  96   VAL     QQG    5.50   (#          47:15)
 &rst
  ixpk= 47, nxpk= 15, iat=1580,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1531,1532,1533,1535,1536,1537,
 &end
#
#   99   GLU       H  98   LYS       H    4.50   (#          48:15)
 &rst
  ixpk= 48, nxpk= 15, iat=1580,1558, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  104   TRP       H 105   LYS       H    4.50   (#          49:15)
 &rst
  ixpk= 49, nxpk= 15, iat=1658,1682, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  104   TRP       H 103   GLU       H    4.50   (#          50:15)
 &rst
  ixpk= 50, nxpk= 15, iat=1658,1643, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  104   TRP       H 104   TRP     HD1    4.50   (#          51:15)
 &rst
  ixpk= 51, nxpk= 15, iat=1658,1666, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  104   TRP       H 104   TRP      HA    5.50   (#          52:15)
 &rst
  ixpk= 52, nxpk= 15, iat=1658,1660, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  104   TRP       H 105   LYS      HA    5.50   (#          53:15)
 &rst
  ixpk= 53, nxpk= 15, iat=1658,1684, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  104   TRP       H 103   GLU      HA    5.50   (#          54:15)
 &rst
  ixpk= 54, nxpk= 15, iat=1658,1645, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  104   TRP       H 101   LEU      HA    5.50   (#          55:15)
 &rst
  ixpk= 55, nxpk= 15, iat=1658,1616, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  104   TRP       H 104   TRP      QB    4.50   (#          56:15)
 &rst
  ixpk= 56, nxpk= 15, iat=1658,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1662,1663,
 &end
#
#  104   TRP       H 103   GLU      QG    5.50   (#          57:15)
 &rst
  ixpk= 57, nxpk= 15, iat=1658,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1650,1651,
 &end
#
#  104   TRP       H 103   GLU      QB    4.50   (#          58:15)
 &rst
  ixpk= 58, nxpk= 15, iat=1658,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1647,1648,
 &end
#
#  104   TRP       H 102   ALA      QB    5.50   (#          59:15)
 &rst
  ixpk= 59, nxpk= 15, iat=1658,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1637,1638,1639,
 &end
#
#   80   PHE       H  80   PHE      QD    4.50   (#          60:15)
 &rst
  ixpk= 60, nxpk= 15, iat=1276,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1284,1292,
 &end
#
#   80   PHE       H  79   MET      HA    3.50   (#          61:15)
 &rst
  ixpk= 61, nxpk= 15, iat=1276,1261, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   80   PHE       H  80   PHE      QB    3.50   (#          62:15)
 &rst
  ixpk= 62, nxpk= 15, iat=1276,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1280,1281,
 &end
#
#   80   PHE       H  81   PRO      QD    5.50   (#          63:15)
 &rst
  ixpk= 63, nxpk= 15, iat=1276,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1297,1298,
 &end
#
#   80   PHE       H  79   MET      QB    4.50   (#          64:15)
 &rst
  ixpk= 64, nxpk= 15, iat=1276,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1263,1264,
 &end
#
#  106   ARG       H 104   TRP      HA    5.50   (#          65:15)
 &rst
  ixpk= 65, nxpk= 15, iat=1704,1660, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  106   ARG       H 106   ARG      HA    4.50   (#          66:15)
 &rst
  ixpk= 66, nxpk= 15, iat=1704,1706, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  106   ARG       H 103   GLU      HA    5.50   (#          67:15)
 &rst
  ixpk= 67, nxpk= 15, iat=1704,1645, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  106   ARG       H 104   TRP      QB    7.00   (#          68:15)
 &rst
  ixpk= 68, nxpk= 15, iat=1704,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1662,1663,
 &end
#
#  106   ARG       H 106   ARG      QB    3.50   (#          69:15)
 &rst
  ixpk= 69, nxpk= 15, iat=1704,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1708,1709,
 &end
#
#  106   ARG       H 106   ARG      QG    5.50   (#          70:15)
 &rst
  ixpk= 70, nxpk= 15, iat=1704,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1711,1712,
 &end
#
#   92   LEU       H  90   TYR      HA    5.50   (#          71:15)
 &rst
  ixpk= 71, nxpk= 15, iat=1467,1433, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   92   LEU       H  92   LEU      HA    5.50   (#          72:15)
 &rst
  ixpk= 72, nxpk= 15, iat=1467,1469, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   92   LEU       H  92   LEU      HG    4.50   (#          73:15)
 &rst
  ixpk= 73, nxpk= 15, iat=1467,1474, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   92   LEU       H  92   LEU      QB    5.50   (#          74:15)
 &rst
  ixpk= 74, nxpk= 15, iat=1467,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1471,1472,
 &end
#
#   92   LEU       H  92   LEU      QB    5.50   (#          75:15)
 &rst
  ixpk= 75, nxpk= 15, iat=1467,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1471,1472,
 &end
#
#   92   LEU       H  92   LEU     QQD    4.50   (#          76:15)
 &rst
  ixpk= 76, nxpk= 15, iat=1467,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1476,1477,1478,1480,1481,1482,
 &end
#
#   92   LEU       H  92   LEU     QQD    5.50   (#          77:15)
 &rst
  ixpk= 77, nxpk= 15, iat=1467,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1476,1477,1478,1480,1481,1482,
 &end
#
#   92   LEU       H  91   GLU       H    4.50   (#          78:15)
 &rst
  ixpk= 78, nxpk= 15, iat=1467,1452, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   89   PHE       H  89   PHE      QD    4.50   (#          79:15)
 &rst
  ixpk= 79, nxpk= 15, iat=1411,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1419,1427,
 &end
#
#   89   PHE       H  88   VAL      HA    4.50   (#          80:15)
 &rst
  ixpk= 80, nxpk= 15, iat=1411,1397, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   89   PHE       H  90   TYR      QB    4.50   (#          81:15)
 &rst
  ixpk= 81, nxpk= 15, iat=1411,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1435,1436,
 &end
#
#   89   PHE       H  89   PHE      QB    4.50   (#          82:15)
 &rst
  ixpk= 82, nxpk= 15, iat=1411,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1415,1416,
 &end
#
#   89   PHE       H  88   VAL      HB    4.50   (#          83:15)
 &rst
  ixpk= 83, nxpk= 15, iat=1411,1399, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  102   ALA       H  98   LYS      QG    5.50   (#          84:15)
 &rst
  ixpk= 84, nxpk= 15, iat=1633,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1565,1566,
 &end
#
#   89   PHE       H  88   VAL     QQG    4.50   (#          85:15)
 &rst
  ixpk= 85, nxpk= 15, iat=1411,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#   89   PHE       H  90   TYR       H    5.50   (#          86:15)
 &rst
  ixpk= 86, nxpk= 15, iat=1411,1431, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   95   ALA       H  96   VAL       H    5.50   (#          87:15)
 &rst
  ixpk= 87, nxpk= 15, iat=1515,1525, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   95   ALA       H  95   ALA      HA    4.50   (#          89:15)
 &rst
  ixpk= 89, nxpk= 15, iat=1515,1517, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   95   ALA       H  94   GLU      QB    5.50   (#          90:15)
 &rst
  ixpk= 90, nxpk= 15, iat=1515,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1504,1505,
 &end
#
#   95   ALA       H  94   GLU      QB    5.50   (#          91:15)
 &rst
  ixpk= 91, nxpk= 15, iat=1515,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1504,1505,
 &end
#
#   95   ALA       H  93   PRO      QB    4.50   (#          92:15)
 &rst
  ixpk= 92, nxpk= 15, iat=1515,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1493,1494,
 &end
#
#   95   ALA       H  95   ALA      QB    4.50   (#          93:15)
 &rst
  ixpk= 93, nxpk= 15, iat=1515,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1519,1520,1521,
 &end
#
#   95   ALA       H  96   VAL     QQG    7.00   (#          94:15)
 &rst
  ixpk= 94, nxpk= 15, iat=1515,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2=1531,1532,1533,1535,1536,1537,
 &end
#
#   84   ILE       H  83   ASP      HA    4.50   (#          95:15)
 &rst
  ixpk= 95, nxpk= 15, iat=1333,1323, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   84   ILE       H  84   ILE      HA    4.50   (#          96:15)
 &rst
  ixpk= 96, nxpk= 15, iat=1333,1335, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   84   ILE       H  83   ASP      QB    5.50   (#          97:15)
 &rst
  ixpk= 97, nxpk= 15, iat=1333,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1325,1326,
 &end
#
#   84   ILE       H  83   ASP      QB    5.50   (#          98:15)
 &rst
  ixpk= 98, nxpk= 15, iat=1333,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1325,1326,
 &end
#
#   84   ILE       H  84   ILE      HB    4.50   (#          99:15)
 &rst
  ixpk= 99, nxpk= 15, iat=1333,1337, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   84   ILE       H  81   PRO      QB    5.50   (#         100:15)
 &rst
  ixpk= 100, nxpk= 15, iat=1333,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1303,1304,
 &end
#
#   84   ILE       H  84   ILE     QG1    4.50   (#         101:15)
 &rst
  ixpk= 101, nxpk= 15, iat=1333,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1343,1344,
 &end
#
#   84   ILE       H  81   PRO      QG    4.50   (#         102:15)
 &rst
  ixpk= 102, nxpk= 15, iat=1333,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1300,1301,
 &end
#
#   84   ILE       H  84   ILE     QG2    4.50   (#         103:15)
 &rst
  ixpk= 103, nxpk= 15, iat=1333,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1339,1340,1341,
 &end
#
#   84   ILE       H  85   ASP       H    5.50   (#         104:15)
 &rst
  ixpk= 104, nxpk= 15, iat=1333,1352, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   84   ILE       H  83   ASP       H    4.50   (#         105:15)
 &rst
  ixpk= 105, nxpk= 15, iat=1333,1321, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   91   GLU       H  92   LEU       H    4.50   (#         106:15)
 &rst
  ixpk= 106, nxpk= 15, iat=1452,1467, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   91   GLU       H  90   TYR      HA    5.50   (#         107:15)
 &rst
  ixpk= 107, nxpk= 15, iat=1452,1433, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   91   GLU       H  91   GLU      HA    4.50   (#         108:15)
 &rst
  ixpk= 108, nxpk= 15, iat=1452,1454, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   91   GLU       H  88   VAL      HA    5.50   (#         109:15)
 &rst
  ixpk= 109, nxpk= 15, iat=1452,1397, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   91   GLU       H  91   GLU      QG    4.50   (#         110:15)
 &rst
  ixpk= 110, nxpk= 15, iat=1452,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1459,1460,
 &end
#
#   91   GLU       H  87   GLN      QB    5.50   (#         111:15)
 &rst
  ixpk= 111, nxpk= 15, iat=1452,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1382,1383,
 &end
#
#   91   GLU       H  91   GLU      QB    4.50   (#         112:15)
 &rst
  ixpk= 112, nxpk= 15, iat=1452,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1456,1457,
 &end
#
#   91   GLU       H  88   VAL     QQG    5.50   (#         113:15)
 &rst
  ixpk= 113, nxpk= 15, iat=1452,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#   88   VAL       H  87   GLN      HA    5.50   (#         114:15)
 &rst
  ixpk= 114, nxpk= 15, iat=1395,1380, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   88   VAL       H  88   VAL      HA    4.50   (#         115:15)
 &rst
  ixpk= 115, nxpk= 15, iat=1395,1397, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   88   VAL       H  89   PHE      QB    4.50   (#         116:15)
 &rst
  ixpk= 116, nxpk= 15, iat=1395,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1415,1416,
 &end
#
#   88   VAL       H  87   GLN      QG    5.50   (#         117:15)
 &rst
  ixpk= 117, nxpk= 15, iat=1395,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1385,1386,
 &end
#
#   88   VAL       H  87   GLN      QB    4.50   (#         118:15)
 &rst
  ixpk= 118, nxpk= 15, iat=1395,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1382,1383,
 &end
#
#   88   VAL       H  88   VAL     QQG    4.50   (#         119:15)
 &rst
  ixpk= 119, nxpk= 15, iat=1395,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#   88   VAL       H  87   GLN       H    4.50   (#         120:15)
 &rst
  ixpk= 120, nxpk= 15, iat=1395,1378, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   82   SER       H  81   PRO      QG    5.50   (#         121:15)
 &rst
  ixpk= 121, nxpk= 15, iat=1310,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1300,1301,
 &end
#
#   82   SER       H  81   PRO      QB    5.50   (#         122:15)
 &rst
  ixpk= 122, nxpk= 15, iat=1310,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1303,1304,
 &end
#
#   82   SER       H  81   PRO      QB    5.50   (#         123:15)
 &rst
  ixpk= 123, nxpk= 15, iat=1310,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1303,1304,
 &end
#
#   82   SER       H  82   SER      QB    4.50   (#         124:15)
 &rst
  ixpk= 124, nxpk= 15, iat=1310,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1314,1315,
 &end
#
#   82   SER       H  82   SER      HA    4.50   (#         125:15)
 &rst
  ixpk= 125, nxpk= 15, iat=1310,1312, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   82   SER       H  81   PRO      HA    4.50   (#         126:15)
 &rst
  ixpk= 126, nxpk= 15, iat=1310,1306, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   83   ASP       H  84   ILE     QG2    7.00   (#         127:15)
 &rst
  ixpk= 127, nxpk= 15, iat=1321,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1339,1340,1341,
 &end
#
#   83   ASP       H  81   PRO      QG    7.00   (#         128:15)
 &rst
  ixpk= 128, nxpk= 15, iat=1321,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1300,1301,
 &end
#
#   83   ASP       H  84   ILE     QG1    5.50   (#         129:15)
 &rst
  ixpk= 129, nxpk= 15, iat=1321,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1343,1344,
 &end
#
#  104   TRP     HE1 104   TRP     HH2    5.50   (#         130:15)
 &rst
  ixpk= 130, nxpk= 15, iat=1668,1673, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   83   ASP       H  81   PRO      QB    5.50   (#         131:15)
 &rst
  ixpk= 131, nxpk= 15, iat=1321,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1303,1304,
 &end
#
#   83   ASP       H  83   ASP      QB    4.50   (#         132:15)
 &rst
  ixpk= 132, nxpk= 15, iat=1321,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1325,1326,
 &end
#
#   83   ASP       H  83   ASP      QB    5.50   (#         133:15)
 &rst
  ixpk= 133, nxpk= 15, iat=1321,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1325,1326,
 &end
#
#   83   ASP       H  82   SER      QB    4.50   (#         134:15)
 &rst
  ixpk= 134, nxpk= 15, iat=1321,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1314,1315,
 &end
#
#   83   ASP       H  82   SER      HA    4.50   (#         135:15)
 &rst
  ixpk= 135, nxpk= 15, iat=1321,1312, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   83   ASP       H  81   PRO      HA    5.50   (#         136:15)
 &rst
  ixpk= 136, nxpk= 15, iat=1321,1306, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   83   ASP       H  83   ASP      HA    4.50   (#         137:15)
 &rst
  ixpk= 137, nxpk= 15, iat=1321,1323, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   83   ASP       H  84   ILE       H    4.50   (#         138:15)
 &rst
  ixpk= 138, nxpk= 15, iat=1321,1333, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   84   ILE       H  81   PRO      HA    7.00   (#         139:15)
 &rst
  ixpk= 139, nxpk= 15, iat=1333,1306, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   85   ASP       H  84   ILE       H    5.50   (#         142:15)
 &rst
  ixpk= 142, nxpk= 15, iat=1352,1333, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   87   GLN       H  88   VAL     QQG    4.50   (#         143:15)
 &rst
  ixpk= 143, nxpk= 15, iat=1378,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#   87   GLN       H  86   PRO      QG    5.50   (#         144:15)
 &rst
  ixpk= 144, nxpk= 15, iat=1378,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1368,1369,
 &end
#
#   87   GLN       H  86   PRO      QB    4.50   (#         145:15)
 &rst
  ixpk= 145, nxpk= 15, iat=1378,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1371,1372,
 &end
#
#   87   GLN       H  87   GLN      QB    3.50   (#         146:15)
 &rst
  ixpk= 146, nxpk= 15, iat=1378,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1382,1383,
 &end
#
#   87   GLN       H  87   GLN      QG    5.50   (#         147:15)
 &rst
  ixpk= 147, nxpk= 15, iat=1378,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1385,1386,
 &end
#
#   87   GLN       H  87   GLN      QG    5.50   (#         148:15)
 &rst
  ixpk= 148, nxpk= 15, iat=1378,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1385,1386,
 &end
#
#   87   GLN       H  86   PRO      HA    5.50   (#         149:15)
 &rst
  ixpk= 149, nxpk= 15, iat=1378,1374, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   87   GLN       H  86   PRO      QD    5.50   (#         150:15)
 &rst
  ixpk= 150, nxpk= 15, iat=1378,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1365,1366,
 &end
#
#   87   GLN       H  87   GLN      HA    4.50   (#         151:15)
 &rst
  ixpk= 151, nxpk= 15, iat=1378,1380, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   87   GLN       H  86   PRO      QD    5.50   (#         152:15)
 &rst
  ixpk= 152, nxpk= 15, iat=1378,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1365,1366,
 &end
#
#   87   GLN       H  88   VAL       H    4.50   (#         153:15)
 &rst
  ixpk= 153, nxpk= 15, iat=1378,1395, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   87   GLN       H  89   PHE       H    5.50   (#         154:15)
 &rst
  ixpk= 154, nxpk= 15, iat=1378,1411, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   88   VAL       H  89   PHE      QB    5.50   (#         155:15)
 &rst
  ixpk= 155, nxpk= 15, iat=1395,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1415,1416,
 &end
#
#   88   VAL       H  89   PHE       H    4.50   (#         156:15)
 &rst
  ixpk= 156, nxpk= 15, iat=1395,1411, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   88   VAL       H  90   TYR       H    5.50   (#         157:15)
 &rst
  ixpk= 157, nxpk= 15, iat=1395,1431, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   89   PHE       H  84   ILE     QD1    7.00   (#         158:15)
 &rst
  ixpk= 158, nxpk= 15, iat=1411,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1346,1347,1348,
 &end
#
#  102   ALA       H 101   LEU     QQD    5.50   (#         159:15)
 &rst
  ixpk= 159, nxpk= 15, iat=1633,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1623,1624,1625,1627,1628,1629,
 &end
#
#  104   TRP       H 101   LEU      QB    5.50   (#         160:15)
 &rst
  ixpk= 160, nxpk= 15, iat=1658,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1618,1619,
 &end
#
#  104   TRP       H 103   GLU      QB    4.50   (#         161:15)
 &rst
  ixpk= 161, nxpk= 15, iat=1658,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1647,1648,
 &end
#
#   89   PHE       H  88   VAL       H    4.50   (#         162:15)
 &rst
  ixpk= 162, nxpk= 15, iat=1411,1395, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  104   TRP       H 103   GLU       H    4.50   (#         163:15)
 &rst
  ixpk= 163, nxpk= 15, iat=1658,1643, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  104   TRP       H 101   LEU       H    4.50   (#         164:15)
 &rst
  ixpk= 164, nxpk= 15, iat=1658,1614, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   90   TYR       H  88   VAL     QQG    5.50   (#         166:15)
 &rst
  ixpk= 166, nxpk= 15, iat=1431,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#   90   TYR       H  86   PRO      QB    5.50   (#         167:15)
 &rst
  ixpk= 167, nxpk= 15, iat=1431,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1371,1372,
 &end
#
#   90   TYR       H  87   GLN      QB    5.50   (#         168:15)
 &rst
  ixpk= 168, nxpk= 15, iat=1431,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1382,1383,
 &end
#
#   90   TYR       H  89   PHE      QB    5.50   (#         169:15)
 &rst
  ixpk= 169, nxpk= 15, iat=1431,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1415,1416,
 &end
#
#   90   TYR       H  90   TYR      QB    4.50   (#         170:15)
 &rst
  ixpk= 170, nxpk= 15, iat=1431,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1435,1436,
 &end
#
#   90   TYR       H  90   TYR      QB    4.50   (#         171:15)
 &rst
  ixpk= 171, nxpk= 15, iat=1431,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1435,1436,
 &end
#
#   90   TYR       H  88   VAL      HA    4.50   (#         172:15)
 &rst
  ixpk= 172, nxpk= 15, iat=1431,1397, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   90   TYR       H  91   GLU      HA    5.50   (#         173:15)
 &rst
  ixpk= 173, nxpk= 15, iat=1431,1454, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   90   TYR       H  90   TYR      HA    4.50   (#         174:15)
 &rst
  ixpk= 174, nxpk= 15, iat=1431,1433, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   90   TYR       H  89   PHE      QD    4.50   (#         175:15)
 &rst
  ixpk= 175, nxpk= 15, iat=1431,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1419,1427,
 &end
#
#   90   TYR       H  90   TYR      QE    7.00   (#         176:15)
 &rst
  ixpk= 176, nxpk= 15, iat=1431,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1441,1446,
 &end
#
#   90   TYR       H  92   LEU       H    5.50   (#         177:15)
 &rst
  ixpk= 177, nxpk= 15, iat=1431,1467, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   90   TYR       H  90   TYR      QD    4.50   (#         178:15)
 &rst
  ixpk= 178, nxpk= 15, iat=1431,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1439,1448,
 &end
#
#   90   TYR       H  89   PHE       H    4.50   (#         179:15)
 &rst
  ixpk= 179, nxpk= 15, iat=1431,1411, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   91   GLU       H  92   LEU     QQD    7.00   (#         180:15)
 &rst
  ixpk= 180, nxpk= 15, iat=1452,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2=1476,1477,1478,1480,1481,1482,
 &end
#
#   91   GLU       H  91   GLU      QG    4.50   (#         181:15)
 &rst
  ixpk= 181, nxpk= 15, iat=1452,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1459,1460,
 &end
#
#   91   GLU       H  90   TYR      QB    5.50   (#         182:15)
 &rst
  ixpk= 182, nxpk= 15, iat=1452,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1435,1436,
 &end
#
#   91   GLU       H  90   TYR       H    4.50   (#         183:15)
 &rst
  ixpk= 183, nxpk= 15, iat=1452,1431, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   92   LEU       H  97   GLN     QE2    5.50   (#         184:15)
 &rst
  ixpk= 184, nxpk= 15, iat=1467,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1553,1554,
 &end
#
#   92   LEU       H  90   TYR       H    5.50   (#         185:15)
 &rst
  ixpk= 185, nxpk= 15, iat=1467,1431, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   94   GLU       H  93   PRO      QB    7.00   (#         186:15)
 &rst
  ixpk= 186, nxpk= 15, iat=1500,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1493,1494,
 &end
#
#   94   GLU       H  94   GLU      HA    7.00   (#         187:15)
 &rst
  ixpk= 187, nxpk= 15, iat=1500,1502, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   95   ALA       H  94   GLU      HA    7.00   (#         188:15)
 &rst
  ixpk= 188, nxpk= 15, iat=1515,1502, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   96   VAL       H 100   LEU     QQD    7.00   (#         189:15)
 &rst
  ixpk= 189, nxpk= 15, iat=1525,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2=1604,1605,1606,1608,1609,1610,
 &end
#
#   96   VAL       H  96   VAL     QQG    4.50   (#         190:15)
 &rst
  ixpk= 190, nxpk= 15, iat=1525,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1531,1532,1533,1535,1536,1537,
 &end
#
#   96   VAL       H  95   ALA      QB    4.50   (#         191:15)
 &rst
  ixpk= 191, nxpk= 15, iat=1525,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1519,1520,1521,
 &end
#
#   96   VAL       H  96   VAL      HB    4.50   (#         192:15)
 &rst
  ixpk= 192, nxpk= 15, iat=1525,1529, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   96   VAL       H  99   GLU      QB    5.50   (#         193:15)
 &rst
  ixpk= 193, nxpk= 15, iat=1525,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1584,1585,
 &end
#
#   96   VAL       H  93   PRO      QB    5.50   (#         194:15)
 &rst
  ixpk= 194, nxpk= 15, iat=1525,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1493,1494,
 &end
#
#   96   VAL       H  93   PRO      QD    5.50   (#         195:15)
 &rst
  ixpk= 195, nxpk= 15, iat=1525,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1487,1488,
 &end
#
#   96   VAL       H  96   VAL      HA    5.50   (#         196:15)
 &rst
  ixpk= 196, nxpk= 15, iat=1525,1527, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   96   VAL       H  95   ALA      HA    5.50   (#         197:15)
 &rst
  ixpk= 197, nxpk= 15, iat=1525,1517, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   96   VAL       H  97   GLN       H    4.50   (#         198:15)
 &rst
  ixpk= 198, nxpk= 15, iat=1525,1541, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   96   VAL       H  98   LYS       H    5.50   (#         199:15)
 &rst
  ixpk= 199, nxpk= 15, iat=1525,1558, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   96   VAL       H  95   ALA       H    5.50   (#         200:15)
 &rst
  ixpk= 200, nxpk= 15, iat=1525,1515, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   97   GLN       H  97   GLN      QG    4.50   (#         201:15)
 &rst
  ixpk= 201, nxpk= 15, iat=1541,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1548,1549,
 &end
#
#   97   GLN       H  96   VAL     QQG    4.50   (#         202:15)
 &rst
  ixpk= 202, nxpk= 15, iat=1541,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1531,1532,1533,1535,1536,1537,
 &end
#
#   97   GLN       H 100   LEU      QB    5.50   (#         203:15)
 &rst
  ixpk= 203, nxpk= 15, iat=1541,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1599,1600,
 &end
#
#  105   LYS       H 105   LYS      QD    4.50   (#         204:15)
 &rst
  ixpk= 204, nxpk= 15, iat=1682,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1692,1693,
 &end
#
#  105   LYS       H 105   LYS      QB    3.50   (#         205:15)
 &rst
  ixpk= 205, nxpk= 15, iat=1682,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1686,1687,
 &end
#
#  105   LYS       H 104   TRP      QB    4.50   (#         206:15)
 &rst
  ixpk= 206, nxpk= 15, iat=1682,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1662,1663,
 &end
#
#   97   GLN       H  97   GLN      HA    4.50   (#         207:15)
 &rst
  ixpk= 207, nxpk= 15, iat=1541,1543, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   97   GLN       H  94   GLU      HA    5.50   (#         208:15)
 &rst
  ixpk= 208, nxpk= 15, iat=1541,1502, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   97   GLN       H  98   LYS      HA    5.50   (#         209:15)
 &rst
  ixpk= 209, nxpk= 15, iat=1541,1560, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  105   LYS       H 102   ALA      HA    5.50   (#         210:15)
 &rst
  ixpk= 210, nxpk= 15, iat=1682,1635, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  105   LYS       H 105   LYS      HA    4.50   (#         211:15)
 &rst
  ixpk= 211, nxpk= 15, iat=1682,1684, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   97   GLN       H  96   VAL       H    4.50   (#         212:15)
 &rst
  ixpk= 212, nxpk= 15, iat=1541,1525, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  105   LYS       H 104   TRP     HD1    7.00   (#         213:15)
 &rst
  ixpk= 213, nxpk= 15, iat=1682,1666, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   97   GLN       H  99   GLU       H    5.50   (#         214:15)
 &rst
  ixpk= 214, nxpk= 15, iat=1541,1580, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  105   LYS       H 104   TRP       H    4.50   (#         215:15)
 &rst
  ixpk= 215, nxpk= 15, iat=1682,1658, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   98   LYS       H  96   VAL     QQG    5.50   (#         216:15)
 &rst
  ixpk= 216, nxpk= 15, iat=1558,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1531,1532,1533,1535,1536,1537,
 &end
#
#   98   LYS       H  98   LYS      QG    4.50   (#         217:15)
 &rst
  ixpk= 217, nxpk= 15, iat=1558,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1565,1566,
 &end
#
#   98   LYS       H  98   LYS      QD    4.50   (#         218:15)
 &rst
  ixpk= 218, nxpk= 15, iat=1558,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1568,1569,
 &end
#
#   98   LYS       H  98   LYS      QB    3.50   (#         219:15)
 &rst
  ixpk= 219, nxpk= 15, iat=1558,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1562,1563,
 &end
#
#   98   LYS       H  97   GLN      QB    4.50   (#         220:15)
 &rst
  ixpk= 220, nxpk= 15, iat=1558,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1545,1546,
 &end
#
#   98   LYS       H  97   GLN      HA    5.50   (#         221:15)
 &rst
  ixpk= 221, nxpk= 15, iat=1558,1543, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   98   LYS       H  94   GLU      HA    5.50   (#         222:15)
 &rst
  ixpk= 222, nxpk= 15, iat=1558,1502, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   98   LYS       H  98   LYS      HA    4.50   (#         223:15)
 &rst
  ixpk= 223, nxpk= 15, iat=1558,1560, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   98   LYS       H  95   ALA      HA    5.50   (#         224:15)
 &rst
  ixpk= 224, nxpk= 15, iat=1558,1517, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   98   LYS       H  96   VAL       H    5.50   (#         225:15)
 &rst
  ixpk= 225, nxpk= 15, iat=1558,1525, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   98   LYS       H  89   PHE      QE    5.50   (#         226:15)
 &rst
  ixpk= 226, nxpk= 15, iat=1558,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1421,1425,
 &end
#
#   98   LYS       H  99   GLU       H    4.50   (#         227:15)
 &rst
  ixpk= 227, nxpk= 15, iat=1558,1580, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   98   LYS       H  97   GLN       H    4.50   (#         228:15)
 &rst
  ixpk= 228, nxpk= 15, iat=1558,1541, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   99   GLU       H 100   LEU     QQD    5.50   (#         229:15)
 &rst
  ixpk= 229, nxpk= 15, iat=1580,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1604,1605,1606,1608,1609,1610,
 &end
#
#  100   LEU       H  96   VAL      HA    7.00   (#         230:15)
 &rst
  ixpk= 230, nxpk= 15, iat=1595,1527, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  101   LEU       H 100   LEU      QB    5.50   (#         231:15)
 &rst
  ixpk= 231, nxpk= 15, iat=1614,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1599,1600,
 &end
#
#  101   LEU       H 100   LEU     QQD    7.00   (#         232:15)
 &rst
  ixpk= 232, nxpk= 15, iat=1614,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2=1604,1605,1606,1608,1609,1610,
 &end
#
#  101   LEU       H 101   LEU      HG    4.50   (#         233:15)
 &rst
  ixpk= 233, nxpk= 15, iat=1614,1621, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  101   LEU       H 102   ALA      QB    4.50   (#         234:15)
 &rst
  ixpk= 234, nxpk= 15, iat=1614,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1637,1638,1639,
 &end
#
#  101   LEU       H 101   LEU      QB    4.50   (#         235:15)
 &rst
  ixpk= 235, nxpk= 15, iat=1614,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1618,1619,
 &end
#
#  101   LEU       H 103   GLU      QB    5.50   (#         236:15)
 &rst
  ixpk= 236, nxpk= 15, iat=1614,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1647,1648,
 &end
#
#  101   LEU       H 100   LEU      HA    5.50   (#         237:15)
 &rst
  ixpk= 237, nxpk= 15, iat=1614,1597, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  101   LEU       H 101   LEU      HA    4.50   (#         238:15)
 &rst
  ixpk= 238, nxpk= 15, iat=1614,1616, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  101   LEU       H  89   PHE      QE    4.50   (#         239:15)
 &rst
  ixpk= 239, nxpk= 15, iat=1614,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1421,1425,
 &end
#
#  101   LEU       H 102   ALA       H    4.50   (#         240:15)
 &rst
  ixpk= 240, nxpk= 15, iat=1614,1633, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  102   ALA       H 102   ALA      QB    3.50   (#         241:15)
 &rst
  ixpk= 241, nxpk= 15, iat=1633,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1637,1638,1639,
 &end
#
#  102   ALA       H 101   LEU      HA    4.50   (#         242:15)
 &rst
  ixpk= 242, nxpk= 15, iat=1633,1616, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  102   ALA       H 102   ALA      HA    4.50   (#         243:15)
 &rst
  ixpk= 243, nxpk= 15, iat=1633,1635, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  104   TRP       H 102   ALA       H    5.50   (#         244:15)
 &rst
  ixpk= 244, nxpk= 15, iat=1658,1633, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   97   GLN       H  98   LYS       H    4.50   (#         245:15)
 &rst
  ixpk= 245, nxpk= 15, iat=1541,1558, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  106   ARG       H 107   THR       H    5.50   (#         246:15)
 &rst
  ixpk= 246, nxpk= 15, iat=1704,1728, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  107   THR       H 107   THR     QG2    5.50   (#         247:15)
 &rst
  ixpk= 247, nxpk= 15, iat=1728,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1734,1735,1736,
 &end
#
#  107   THR       H 106   ARG      QB    5.50   (#         248:15)
 &rst
  ixpk= 248, nxpk= 15, iat=1728,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1708,1709,
 &end
#
#  107   THR       H 107   THR      HB    4.50   (#         249:15)
 &rst
  ixpk= 249, nxpk= 15, iat=1728,1732, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  107   THR       H 104   TRP      HA    4.50   (#         250:15)
 &rst
  ixpk= 250, nxpk= 15, iat=1728,1660, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  107   THR       H 106   ARG       H    4.50   (#         251:15)
 &rst
  ixpk= 251, nxpk= 15, iat=1728,1704, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  107   THR       H 108   GLY       H    5.50   (#         252:15)
 &rst
  ixpk= 252, nxpk= 15, iat=1728,1742, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  108   GLY       H 107   THR     QG2    5.50   (#         253:15)
 &rst
  ixpk= 253, nxpk= 15, iat=1742,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1734,1735,1736,
 &end
#
#  108   GLY       H 106   ARG      QB    5.50   (#         254:15)
 &rst
  ixpk= 254, nxpk= 15, iat=1742,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1708,1709,
 &end
#
#  108   GLY       H 108   GLY      QA    3.50   (#         255:15)
 &rst
  ixpk= 255, nxpk= 15, iat=1742,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1744,1745,
 &end
#
#  108   GLY       H 107   THR      HA    4.50   (#         256:15)
 &rst
  ixpk= 256, nxpk= 15, iat=1742,1730, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  104   TRP     HE1 100   LEU     QQD    5.50   (#         257:15)
 &rst
  ixpk= 257, nxpk= 15, iat=1668,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1604,1605,1606,1608,1609,1610,
 &end
#
#  104   TRP     HE1 100   LEU      HG    5.50   (#         258:15)
 &rst
  ixpk= 258, nxpk= 15, iat=1668,1602, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  104   TRP     HE1 101   LEU     QQD    7.00   (#         259:15)
 &rst
  ixpk= 259, nxpk= 15, iat=1668,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2=1623,1624,1625,1627,1628,1629,
 &end
#
#  104   TRP     HE1 103   GLU      QB    7.00   (#         260:15)
 &rst
  ixpk= 260, nxpk= 15, iat=1668,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1647,1648,
 &end
#
#  104   TRP     HE1 104   TRP      QB    5.50   (#         261:15)
 &rst
  ixpk= 261, nxpk= 15, iat=1668,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1662,1663,
 &end
#
#  104   TRP     HE1 104   TRP      HA    5.50   (#         262:15)
 &rst
  ixpk= 262, nxpk= 15, iat=1668,1660, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   87   GLN     QE2  88   VAL     QQG    5.50   (#         263:15)
 &rst
  ixpk= 263, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1390,1391,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#   87   GLN     QE2  87   GLN      QB    5.50   (#         264:15)
 &rst
  ixpk= 264, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1390,1391,
 igr2=1382,1383,
 &end
#
#   87   GLN     QE2  87   GLN      QG    3.50   (#         265:15)
 &rst
  ixpk= 265, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1390,1391,
 igr2=1385,1386,
 &end
#
#   87   GLN     QE2  87   GLN      QG    3.50   (#         266:15)
 &rst
  ixpk= 266, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1390,1391,
 igr2=1385,1386,
 &end
#
#   87   GLN     QE2  87   GLN      QG    3.50   (#         268:15)
 &rst
  ixpk= 268, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1390,1391,
 igr2=1385,1386,
 &end
#
#   87   GLN     QE2  87   GLN      QG    3.50   (#         269:15)
 &rst
  ixpk= 269, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1390,1391,
 igr2=1385,1386,
 &end
#
#   83   ASP       H  81   PRO      QB    5.50   (#         271:15)
 &rst
  ixpk= 271, nxpk= 15, iat=1321,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1303,1304,
 &end
#
#   90   TYR       H  91   GLU       H    4.50   (#         272:15)
 &rst
  ixpk= 272, nxpk= 15, iat=1431,1452, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   91   GLU       H  92   LEU      QB    5.50   (#         273:15)
 &rst
  ixpk= 273, nxpk= 15, iat=1452,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1471,1472,
 &end
#
#  100   LEU       H  99   GLU      QB    4.50   (#         274:15)
 &rst
  ixpk= 274, nxpk= 15, iat=1595,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1584,1585,
 &end
#
#   99   GLU       H  99   GLU      QB    4.50   (#         275:15)
 &rst
  ixpk= 275, nxpk= 15, iat=1580,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1584,1585,
 &end
#
#   97   GLN     QE2  96   VAL      HB    5.50   (#         276:15)
 &rst
  ixpk= 276, nxpk= 15, iat=  -1,1529, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1553,1554,
 &end
#
#   97   GLN     QE2  97   GLN      QG    4.50   (#         277:15)
 &rst
  ixpk= 277, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1553,1554,
 igr2=1548,1549,
 &end
#
#   97   GLN     QE2  97   GLN      QG    4.50   (#         278:15)
 &rst
  ixpk= 278, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1553,1554,
 igr2=1548,1549,
 &end
#
#   97   GLN     QE2  94   GLU      HA    5.50   (#         279:15)
 &rst
  ixpk= 279, nxpk= 15, iat=  -1,1502, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1553,1554,
 &end
#
#   97   GLN     QE2  90   TYR      HA    5.50   (#         280:15)
 &rst
  ixpk= 280, nxpk= 15, iat=  -1,1433, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1553,1554,
 &end
#
#   97   GLN     QE2  97   GLN      QG    4.50   (#         281:15)
 &rst
  ixpk= 281, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1553,1554,
 igr2=1548,1549,
 &end
#
#   97   GLN     QE2  92   LEU      QB    5.50   (#         282:15)
 &rst
  ixpk= 282, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1553,1554,
 igr2=1471,1472,
 &end
#
#   97   GLN     QE2  97   GLN      QG    5.50   (#         283:15)
 &rst
  ixpk= 283, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1553,1554,
 igr2=1548,1549,
 &end
#
#   97   GLN     QE2  96   VAL      HB    5.50   (#         284:15)
 &rst
  ixpk= 284, nxpk= 15, iat=  -1,1529, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1553,1554,
 &end
#
#   97   GLN     QE2  94   GLU      HA    5.50   (#         285:15)
 &rst
  ixpk= 285, nxpk= 15, iat=  -1,1502, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1553,1554,
 &end
#
#   97   GLN     QE2  90   TYR      HA    5.50   (#         286:15)
 &rst
  ixpk= 286, nxpk= 15, iat=  -1,1433, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1553,1554,
 &end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           H1       MET   1   3.612  -1.864  -3.094
    2    H2   MET   1           H2       MET   1   4.798  -2.991  -2.880
    3    H3   MET   1           H3       MET   1   5.158  -1.392  -2.886
    4    HA   MET   1           HA       MET   1   5.871  -2.338  -4.945
    5    HB2  MET   1           HB2      MET   1   4.400  -3.283  -6.526
    6    HB3  MET   1           HB3      MET   1   4.246  -4.230  -5.053
    7    HG2  MET   1           HG2      MET   1   2.018  -3.068  -4.677
    8    HG3  MET   1           HG3      MET   1   2.255  -2.207  -6.207
    9    HE1  MET   1           HE1      MET   1  -0.302  -3.308  -6.394
   10    HE2  MET   1           HE2      MET   1   0.430  -3.218  -8.028
   11    HE3  MET   1           HE3      MET   1  -0.422  -4.694  -7.514
   12    H    GLN   2           H        GLN   2   5.052  -1.434  -7.315
   13    HA   GLN   2           HA       GLN   2   3.772   1.202  -6.898
   14    HB2  GLN   2           HB2      GLN   2   5.466   2.327  -7.954
   15    HB3  GLN   2           HB3      GLN   2   6.359   1.189  -6.966
   16    HG2  GLN   2           HG2      GLN   2   5.876   0.869  -9.969
   17    HG3  GLN   2           HG3      GLN   2   7.292   1.590  -9.234
   18   HE21  GLN   2          HE22      GLN   2   8.966   0.148  -9.706
   19   HE22  GLN   2          HE21      GLN   2   8.897  -1.555  -9.333
   20    H    ILE   3           H        ILE   3   2.685   2.048  -8.748
   21    HA   ILE   3           HA       ILE   3   2.636   0.355 -11.233
   22    HB   ILE   3           HB       ILE   3   0.134   0.595 -11.323
   23   HG12  ILE   3          HG12      ILE   3  -0.013   0.606  -8.342
   24   HG13  ILE   3          HG13      ILE   3   0.349   2.169  -9.064
   25   HG21  ILE   3          HG21      ILE   3  -0.295  -1.461 -10.061
   26   HG22  ILE   3          HG22      ILE   3   1.318  -1.571 -10.790
   27   HG23  ILE   3          HG23      ILE   3   1.153  -1.223  -9.057
   28   HD11  ILE   3          HD11      ILE   3  -2.061   1.799  -8.719
   29   HD12  ILE   3          HD12      ILE   3  -1.611   2.130 -10.407
   30   HD13  ILE   3          HD13      ILE   3  -2.018   0.464  -9.894
   31    H    PHE   4           H        PHE   4   1.847   1.433 -13.035
   32    HA   PHE   4           HA       PHE   4   2.664   4.289 -12.913
   33    HB2  PHE   4           HB2      PHE   4   2.635   2.564 -15.388
   34    HB3  PHE   4           HB3      PHE   4   3.558   4.020 -15.013
   35    HD1  PHE   4           HD2      PHE   4   4.983   3.617 -12.674
   36    HD2  PHE   4           HD1      PHE   4   3.986   0.649 -15.608
   37    HE1  PHE   4           HE2      PHE   4   6.830   2.179 -11.835
   38    HE2  PHE   4           HE1      PHE   4   5.937  -0.694 -14.882
   39    HZ   PHE   4           HZ       PHE   4   7.363   0.051 -13.008
   40    H    VAL   5           H        VAL   5   0.763   5.474 -12.753
   41    HA   VAL   5           HA       VAL   5  -1.590   4.555 -14.335
   42    HB   VAL   5           HB       VAL   5  -1.397   6.764 -12.270
   43   HG11  VAL   5          HG11      VAL   5  -3.793   5.471 -13.696
   44   HG12  VAL   5          HG12      VAL   5  -3.875   6.642 -12.358
   45   HG13  VAL   5          HG13      VAL   5  -3.151   7.120 -13.902
   46   HG21  VAL   5          HG21      VAL   5  -2.790   5.033 -10.951
   47   HG22  VAL   5          HG22      VAL   5  -2.239   3.833 -12.117
   48   HG23  VAL   5          HG23      VAL   5  -1.056   4.683 -11.123
   49    H    LYS   6           H        LYS   6  -1.353   5.044 -16.478
   50    HA   LYS   6           HA       LYS   6   0.017   7.464 -17.263
   51    HB2  LYS   6           HB2      LYS   6  -0.179   5.314 -18.684
   52    HB3  LYS   6           HB3      LYS   6  -1.817   5.873 -19.088
   53    HG2  LYS   6           HG2      LYS   6  -0.715   8.155 -19.710
   54    HG3  LYS   6           HG3      LYS   6   0.835   7.337 -19.469
   55    HD2  LYS   6           HD2      LYS   6  -0.199   5.632 -21.203
   56    HD3  LYS   6           HD3      LYS   6  -1.208   7.059 -21.652
   57    HE2  LYS   6           HE2      LYS   6   0.733   8.362 -22.203
   58    HE3  LYS   6           HE3      LYS   6   1.825   7.255 -21.366
   59    HZ1  LYS   6           HZ1      LYS   6   1.475   5.606 -23.093
   60    HZ2  LYS   6           HZ2      LYS   6   0.425   6.563 -23.908
   61    HZ3  LYS   6           HZ3      LYS   6   1.998   6.988 -23.759
   62    H    THR   7           H        THR   7  -0.940   9.522 -17.196
   63    HA   THR   7           HA       THR   7  -3.876   9.552 -17.045
   64    HB   THR   7           HB       THR   7  -3.829  11.799 -16.722
   65    HG1  THR   7           HG1      THR   7  -1.953  13.031 -16.906
   66   HG21  THR   7          HG21      THR   7  -1.666  10.547 -15.076
   67   HG22  THR   7          HG22      THR   7  -2.339  12.163 -14.778
   68   HG23  THR   7          HG23      THR   7  -3.420  10.735 -14.713
   69    H    LEU   8           H        LEU   8  -5.088  10.810 -18.280
   70    HA   LEU   8           HA       LEU   8  -4.979  10.099 -21.021
   71    HB2  LEU   8           HB2      LEU   8  -6.692  11.647 -19.178
   72    HB3  LEU   8           HB3      LEU   8  -6.858  12.038 -20.857
   73    HG   LEU   8           HG       LEU   8  -8.206  10.140 -19.669
   74   HD11  LEU   8          HD11      LEU   8  -8.501   9.041 -21.957
   75   HD12  LEU   8          HD12      LEU   8  -8.744  10.779 -21.874
   76   HD13  LEU   8          HD13      LEU   8  -7.212  10.117 -22.528
   77   HD21  LEU   8          HD21      LEU   8  -6.272   8.304 -21.097
   78   HD22  LEU   8          HD22      LEU   8  -5.984   8.646 -19.393
   79   HD23  LEU   8          HD23      LEU   8  -7.474   7.881 -19.880
   80    H    THR   9           H        THR   9  -3.318  12.805 -19.579
   81    HA   THR   9           HA       THR   9  -3.410  14.278 -22.078
   82    HB   THR   9           HB       THR   9  -3.357  15.391 -19.910
   83    HG1  THR   9           HG1      THR   9  -2.767  16.973 -21.004
   84   HG21  THR   9          HG21      THR   9  -0.426  14.654 -19.761
   85   HG22  THR   9          HG22      THR   9  -1.280  15.855 -18.751
   86   HG23  THR   9          HG23      THR   9  -1.733  14.162 -18.657
   87    H    GLY  10           H        GLY  10  -1.731  11.522 -21.098
   88    HA2  GLY  10           HA2      GLY  10   0.012  10.453 -22.305
   89    HA3  GLY  10           HA3      GLY  10   0.518  11.999 -22.978
   90    H    LYS  11           H        LYS  11  -0.206  11.198 -19.468
   91    HA   LYS  11           HA       LYS  11   2.692  11.783 -18.864
   92    HB2  LYS  11           HB2      LYS  11   1.910  13.448 -17.533
   93    HB3  LYS  11           HB3      LYS  11   0.270  13.079 -17.968
   94    HG2  LYS  11           HG2      LYS  11   0.003  12.884 -15.794
   95    HG3  LYS  11           HG3      LYS  11   0.402  11.226 -16.073
   96    HD2  LYS  11           HD2      LYS  11   1.944  11.383 -14.567
   97    HD3  LYS  11           HD3      LYS  11   2.921  12.442 -15.585
   98    HE2  LYS  11           HE2      LYS  11   0.541  13.462 -13.968
   99    HE3  LYS  11           HE3      LYS  11   2.100  13.223 -13.162
  100    HZ1  LYS  11           HZ1      LYS  11   1.631  15.079 -15.450
  101    HZ2  LYS  11           HZ2      LYS  11   1.831  15.506 -13.891
  102    HZ3  LYS  11           HZ3      LYS  11   3.079  14.843 -14.701
  103    H    THR  12           H        THR  12   3.567  10.208 -17.274
  104    HA   THR  12           HA       THR  12   1.580   8.202 -16.284
  105    HB   THR  12           HB       THR  12   4.436   7.417 -16.723
  106    HG1  THR  12           HG1      THR  12   4.166   7.043 -18.868
  107   HG21  THR  12          HG21      THR  12   2.564   6.008 -15.669
  108   HG22  THR  12          HG22      THR  12   1.817   5.934 -17.288
  109   HG23  THR  12          HG23      THR  12   3.422   5.235 -17.033
  110    H    ILE  13           H        ILE  13   1.209   8.362 -14.270
  111    HA   ILE  13           HA       ILE  13   3.304   9.509 -12.516
  112    HB   ILE  13           HB       ILE  13   1.687  10.892 -12.150
  113   HG12  ILE  13          HG12      ILE  13   1.953   9.165 -10.048
  114   HG13  ILE  13          HG13      ILE  13   1.143  10.707 -10.039
  115   HG21  ILE  13          HG21      ILE  13  -0.557   8.944 -12.635
  116   HG22  ILE  13          HG22      ILE  13  -0.719  10.650 -12.055
  117   HG23  ILE  13          HG23      ILE  13  -0.026  10.318 -13.649
  118   HD11  ILE  13          HD11      ILE  13  -1.000   9.781  -9.981
  119   HD12  ILE  13          HD12      ILE  13  -0.379   8.170 -10.517
  120   HD13  ILE  13          HD13      ILE  13  -0.023   8.786  -8.894
  121    H    THR  14           H        THR  14   4.421   8.023 -11.496
  122    HA   THR  14           HA       THR  14   3.384   5.311 -11.168
  123    HB   THR  14           HB       THR  14   5.909   6.607 -10.153
  124    HG1  THR  14           HG1      THR  14   6.874   5.978 -12.039
  125   HG21  THR  14          HG21      THR  14   5.585   4.455  -9.026
  126   HG22  THR  14          HG22      THR  14   5.054   3.652 -10.516
  127   HG23  THR  14          HG23      THR  14   6.746   4.128 -10.322
  128    H    LEU  15           H        LEU  15   2.689   4.495  -9.152
  129    HA   LEU  15           HA       LEU  15   2.918   6.234  -6.780
  130    HB2  LEU  15           HB2      LEU  15   0.565   6.085  -6.264
  131    HB3  LEU  15           HB3      LEU  15   0.814   6.838  -7.844
  132    HG   LEU  15           HG       LEU  15   0.262   4.398  -8.750
  133   HD11  LEU  15          HD11      LEU  15  -1.162   4.532  -6.043
  134   HD12  LEU  15          HD12      LEU  15  -1.516   3.364  -7.322
  135   HD13  LEU  15          HD13      LEU  15   0.060   3.325  -6.534
  136   HD21  LEU  15          HD21      LEU  15  -1.779   6.353  -7.599
  137   HD22  LEU  15          HD22      LEU  15  -1.041   6.386  -9.237
  138   HD23  LEU  15          HD23      LEU  15  -2.134   5.072  -8.780
  139    H    GLU  16           H        GLU  16   2.717   5.112  -4.797
  140    HA   GLU  16           HA       GLU  16   3.386   2.275  -5.195
  141    HB2  GLU  16           HB2      GLU  16   4.338   4.376  -3.240
  142    HB3  GLU  16           HB3      GLU  16   4.449   2.651  -2.828
  143    HG2  GLU  16           HG2      GLU  16   5.667   2.183  -4.897
  144    HG3  GLU  16           HG3      GLU  16   5.592   3.886  -5.360
  145    H    VAL  17           H        VAL  17   2.215   0.814  -4.452
  146    HA   VAL  17           HA       VAL  17   0.105   1.127  -2.393
  147    HB   VAL  17           HB       VAL  17  -1.548   0.182  -4.161
  148   HG11  VAL  17          HG11      VAL  17  -0.609   3.031  -4.396
  149   HG12  VAL  17          HG12      VAL  17  -2.171   2.378  -4.937
  150   HG13  VAL  17          HG13      VAL  17  -1.750   2.374  -3.223
  151   HG21  VAL  17          HG21      VAL  17  -0.004  -0.457  -5.914
  152   HG22  VAL  17          HG22      VAL  17  -1.102   0.826  -6.474
  153   HG23  VAL  17          HG23      VAL  17   0.583   1.202  -6.107
  154    H    GLU  18           H        GLU  18  -1.273  -1.147  -2.953
  155    HA   GLU  18           HA       GLU  18   0.684  -3.386  -2.731
  156    HB2  GLU  18           HB2      GLU  18  -1.943  -3.128  -1.192
  157    HB3  GLU  18           HB3      GLU  18  -0.741  -4.416  -1.062
  158    HG2  GLU  18           HG2      GLU  18   0.894  -2.656  -0.224
  159    HG3  GLU  18           HG3      GLU  18  -0.466  -1.519  -0.189
  160    HA   PRO  19           HA       PRO  19  -2.093  -5.062  -5.917
  161    HB2  PRO  19           HB2      PRO  19  -2.080  -7.621  -4.379
  162    HB3  PRO  19           HB3      PRO  19  -1.714  -7.329  -6.116
  163    HG2  PRO  19           HG2      PRO  19   0.224  -7.855  -4.235
  164    HG3  PRO  19           HG3      PRO  19   0.489  -6.779  -5.636
  165    HD2  PRO  19           HD2      PRO  19  -0.016  -6.056  -2.762
  166    HD3  PRO  19           HD3      PRO  19   0.979  -5.216  -3.995
  167    H    SER  20           H        SER  20  -2.791  -5.364  -2.447
  168    HA   SER  20           HA       SER  20  -5.637  -6.002  -2.853
  169    HB2  SER  20           HB2      SER  20  -5.432  -6.086  -0.266
  170    HB3  SER  20           HB3      SER  20  -4.612  -7.356  -1.183
  171    HG   SER  20           HG       SER  20  -3.248  -6.429   0.443
  172    H    ASP  21           H        ASP  21  -3.860  -3.254  -3.176
  173    HA   ASP  21           HA       ASP  21  -5.439  -1.672  -1.389
  174    HB2  ASP  21           HB2      ASP  21  -3.127  -0.984  -2.151
  175    HB3  ASP  21           HB3      ASP  21  -3.849  -0.620  -3.737
  176    H    THR  22           H        THR  22  -7.267  -0.564  -1.884
  177    HA   THR  22           HA       THR  22  -8.761  -1.488  -4.140
  178    HB   THR  22           HB       THR  22 -10.518   0.143  -3.337
  179    HG1  THR  22           HG1      THR  22 -10.140   0.877  -1.130
  180   HG21  THR  22          HG21      THR  22 -10.606  -2.193  -2.855
  181   HG22  THR  22          HG22      THR  22  -9.523  -2.002  -1.438
  182   HG23  THR  22          HG23      THR  22 -11.156  -1.277  -1.448
  183    H    ILE  23           H        ILE  23  -9.542  -0.456  -5.806
  184    HA   ILE  23           HA       ILE  23  -8.226   1.587  -7.183
  185    HB   ILE  23           HB       ILE  23 -11.168   0.936  -7.100
  186   HG12  ILE  23          HG12      ILE  23 -10.406  -1.069  -7.805
  187   HG13  ILE  23          HG13      ILE  23 -10.426  -0.240  -9.364
  188   HG21  ILE  23          HG21      ILE  23  -9.637   2.314  -9.320
  189   HG22  ILE  23          HG22      ILE  23 -11.358   1.847  -9.371
  190   HG23  ILE  23          HG23      ILE  23 -10.811   3.093  -8.246
  191   HD11  ILE  23          HD11      ILE  23  -8.003  -0.847  -7.654
  192   HD12  ILE  23          HD12      ILE  23  -8.443  -1.564  -9.192
  193   HD13  ILE  23          HD13      ILE  23  -7.970   0.157  -9.135
  194    H    GLU  24           H        GLU  24 -10.895   2.050  -4.711
  195    HA   GLU  24           HA       GLU  24 -11.124   4.819  -5.057
  196    HB2  GLU  24           HB2      GLU  24 -12.542   3.310  -3.590
  197    HB3  GLU  24           HB3      GLU  24 -11.244   3.310  -2.408
  198    HG2  GLU  24           HG2      GLU  24 -11.436   5.770  -2.177
  199    HG3  GLU  24           HG3      GLU  24 -12.682   5.802  -3.428
  200    H    ASN  25           H        ASN  25  -8.770   3.015  -3.052
  201    HA   ASN  25           HA       ASN  25  -7.652   5.480  -1.967
  202    HB2  ASN  25           HB2      ASN  25  -7.722   3.305  -0.721
  203    HB3  ASN  25           HB3      ASN  25  -6.572   2.658  -1.880
  204   HD21  ASN  25          HD22      ASN  25  -4.934   2.332  -0.429
  205   HD22  ASN  25          HD21      ASN  25  -4.138   3.591   0.523
  206    H    VAL  26           H        VAL  26  -6.894   3.294  -4.674
  207    HA   VAL  26           HA       VAL  26  -4.412   4.478  -5.441
  208    HB   VAL  26           HB       VAL  26  -6.671   3.110  -6.918
  209   HG11  VAL  26          HG11      VAL  26  -5.582   4.481  -8.555
  210   HG12  VAL  26          HG12      VAL  26  -3.968   3.916  -8.036
  211   HG13  VAL  26          HG13      VAL  26  -5.101   2.787  -8.824
  212   HG21  VAL  26          HG21      VAL  26  -5.460   1.128  -6.853
  213   HG22  VAL  26          HG22      VAL  26  -3.918   1.944  -6.455
  214   HG23  VAL  26          HG23      VAL  26  -5.199   1.787  -5.249
  215    H    LYS  27           H        LYS  27  -7.817   5.235  -6.571
  216    HA   LYS  27           HA       LYS  27  -7.094   7.534  -8.014
  217    HB2  LYS  27           HB2      LYS  27  -9.634   7.057  -6.348
  218    HB3  LYS  27           HB3      LYS  27  -9.428   8.381  -7.481
  219    HG2  LYS  27           HG2      LYS  27  -9.275   6.699  -9.359
  220    HG3  LYS  27           HG3      LYS  27  -9.718   5.448  -8.172
  221    HD2  LYS  27           HD2      LYS  27 -11.674   7.024  -7.519
  222    HD3  LYS  27           HD3      LYS  27 -11.296   7.923  -8.984
  223    HE2  LYS  27           HE2      LYS  27 -11.785   5.944 -10.355
  224    HE3  LYS  27           HE3      LYS  27 -12.058   4.984  -8.880
  225    HZ1  LYS  27           HZ1      LYS  27 -14.148   5.892  -9.901
  226    HZ2  LYS  27           HZ2      LYS  27 -13.958   6.292  -8.338
  227    HZ3  LYS  27           HZ3      LYS  27 -13.655   7.428  -9.520
  228    H    ALA  28           H        ALA  28  -7.603   7.220  -4.456
  229    HA   ALA  28           HA       ALA  28  -7.559  10.042  -3.937
  230    HB1  ALA  28           HB1      ALA  28  -6.708   7.767  -2.089
  231    HB2  ALA  28           HB2      ALA  28  -7.144   9.420  -1.624
  232    HB3  ALA  28           HB3      ALA  28  -8.380   8.344  -2.307
  233    H    LYS  29           H        LYS  29  -4.951   7.591  -4.381
  234    HA   LYS  29           HA       LYS  29  -2.828   9.451  -3.662
  235    HB2  LYS  29           HB2      LYS  29  -2.835   6.856  -5.257
  236    HB3  LYS  29           HB3      LYS  29  -1.382   7.813  -4.901
  237    HG2  LYS  29           HG2      LYS  29  -1.651   7.567  -2.536
  238    HG3  LYS  29           HG3      LYS  29  -3.285   6.909  -2.703
  239    HD2  LYS  29           HD2      LYS  29  -2.492   4.856  -3.641
  240    HD3  LYS  29           HD3      LYS  29  -0.821   5.438  -3.735
  241    HE2  LYS  29           HE2      LYS  29  -2.237   5.553  -1.066
  242    HE3  LYS  29           HE3      LYS  29  -1.803   3.947  -1.662
  243    HZ1  LYS  29           HZ1      LYS  29   0.143   6.170  -1.252
  244    HZ2  LYS  29           HZ2      LYS  29  -0.051   4.881  -0.268
  245    HZ3  LYS  29           HZ3      LYS  29   0.523   4.643  -1.780
  246    H    ILE  30           H        ILE  30  -4.623   8.681  -6.700
  247    HA   ILE  30           HA       ILE  30  -2.994  10.393  -8.333
  248    HB   ILE  30           HB       ILE  30  -5.971  10.027  -8.670
  249   HG12  ILE  30          HG12      ILE  30  -5.190   7.808  -8.568
  250   HG13  ILE  30          HG13      ILE  30  -5.429   8.173 -10.259
  251   HG21  ILE  30          HG21      ILE  30  -5.021  11.775 -10.067
  252   HG22  ILE  30          HG22      ILE  30  -3.724  10.678 -10.615
  253   HG23  ILE  30          HG23      ILE  30  -5.416  10.410 -11.066
  254   HD11  ILE  30          HD11      ILE  30  -3.484   6.867  -9.783
  255   HD12  ILE  30          HD12      ILE  30  -2.967   8.442 -10.493
  256   HD13  ILE  30          HD13      ILE  30  -2.800   8.140  -8.748
  257    H    GLN  31           H        GLN  31  -5.775  11.162  -6.267
  258    HA   GLN  31           HA       GLN  31  -5.952  13.912  -6.841
  259    HB2  GLN  31           HB2      GLN  31  -7.564  12.566  -5.459
  260    HB3  GLN  31           HB3      GLN  31  -6.403  12.692  -4.129
  261    HG2  GLN  31           HG2      GLN  31  -6.763  15.364  -4.904
  262    HG3  GLN  31           HG3      GLN  31  -8.365  14.676  -5.099
  263   HE21  GLN  31          HE22      GLN  31  -9.513  13.883  -3.187
  264   HE22  GLN  31          HE21      GLN  31  -8.906  14.210  -1.579
  265    H    ASP  32           H        ASP  32  -3.783  12.129  -4.623
  266    HA   ASP  32           HA       ASP  32  -2.488  14.470  -3.561
  267    HB2  ASP  32           HB2      ASP  32  -2.212  12.403  -2.394
  268    HB3  ASP  32           HB3      ASP  32  -1.583  11.584  -3.808
  269    H    LYS  33           H        LYS  33  -1.893  12.427  -6.518
  270    HA   LYS  33           HA       LYS  33   0.610  13.830  -6.980
  271    HB2  LYS  33           HB2      LYS  33  -0.761  11.723  -8.628
  272    HB3  LYS  33           HB3      LYS  33   0.930  12.242  -8.680
  273    HG2  LYS  33           HG2      LYS  33   0.181  11.340  -5.961
  274    HG3  LYS  33           HG3      LYS  33  -0.234  10.136  -7.138
  275    HD2  LYS  33           HD2      LYS  33   1.972   9.729  -6.184
  276    HD3  LYS  33           HD3      LYS  33   2.068   9.993  -7.909
  277    HE2  LYS  33           HE2      LYS  33   3.874  11.190  -7.085
  278    HE3  LYS  33           HE3      LYS  33   2.672  12.423  -7.443
  279    HZ1  LYS  33           HZ1      LYS  33   3.383  11.357  -4.749
  280    HZ2  LYS  33           HZ2      LYS  33   3.591  12.877  -5.276
  281    HZ3  LYS  33           HZ3      LYS  33   2.078  12.315  -4.944
  282    H    GLU  34           H        GLU  34  -2.591  13.952  -8.207
  283    HA   GLU  34           HA       GLU  34  -1.839  15.701 -10.475
  284    HB2  GLU  34           HB2      GLU  34  -4.148  13.756 -10.045
  285    HB3  GLU  34           HB3      GLU  34  -3.939  14.746 -11.491
  286    HG2  GLU  34           HG2      GLU  34  -2.189  12.467 -10.540
  287    HG3  GLU  34           HG3      GLU  34  -3.129  12.571 -12.032
  288    H    GLY  35           H        GLY  35  -4.125  15.269  -7.777
  289    HA2  GLY  35           HA2      GLY  35  -4.998  17.111  -6.572
  290    HA3  GLY  35           HA3      GLY  35  -4.933  18.116  -8.019
  291    H    ILE  36           H        ILE  36  -6.238  14.960  -8.716
  292    HA   ILE  36           HA       ILE  36  -8.801  16.323  -9.206
  293    HB   ILE  36           HB       ILE  36  -7.750  13.618 -10.068
  294   HG12  ILE  36          HG12      ILE  36  -7.897  16.244 -11.658
  295   HG13  ILE  36          HG13      ILE  36  -6.413  15.598 -10.965
  296   HG21  ILE  36          HG21      ILE  36 -10.285  13.905 -10.063
  297   HG22  ILE  36          HG22      ILE  36 -10.077  15.265 -11.168
  298   HG23  ILE  36          HG23      ILE  36  -9.610  13.613 -11.661
  299   HD11  ILE  36          HD11      ILE  36  -6.473  14.978 -13.261
  300   HD12  ILE  36          HD12      ILE  36  -6.687  13.526 -12.252
  301   HD13  ILE  36          HD13      ILE  36  -8.089  14.258 -13.086
  302    HA   PRO  37           HA       PRO  37 -10.358  14.040  -5.604
  303    HB2  PRO  37           HB2      PRO  37 -13.128  14.625  -6.316
  304    HB3  PRO  37           HB3      PRO  37 -12.112  15.287  -4.993
  305    HG2  PRO  37           HG2      PRO  37 -12.955  16.746  -7.259
  306    HG3  PRO  37           HG3      PRO  37 -11.597  17.156  -6.170
  307    HD2  PRO  37           HD2      PRO  37 -11.487  15.809  -8.869
  308    HD3  PRO  37           HD3      PRO  37 -10.370  16.980  -8.106
  309    HA   PRO  38           HA       PRO  38 -11.069  10.160  -7.511
  310    HB2  PRO  38           HB2      PRO  38 -12.419   8.748  -5.581
  311    HB3  PRO  38           HB3      PRO  38 -10.646   9.041  -5.579
  312    HG2  PRO  38           HG2      PRO  38 -12.799  10.500  -4.049
  313    HG3  PRO  38           HG3      PRO  38 -11.175   9.997  -3.472
  314    HD2  PRO  38           HD2      PRO  38 -11.686  12.547  -4.265
  315    HD3  PRO  38           HD3      PRO  38 -10.121  11.760  -4.656
  316    H    ASP  39           H        ASP  39 -13.967  11.591  -6.016
  317    HA   ASP  39           HA       ASP  39 -15.726   9.778  -7.290
  318    HB2  ASP  39           HB2      ASP  39 -16.447  11.110  -5.384
  319    HB3  ASP  39           HB3      ASP  39 -16.126  12.618  -6.255
  320    H    GLN  40           H        GLN  40 -13.995  12.474  -8.486
  321    HA   GLN  40           HA       GLN  40 -15.740  12.837 -10.887
  322    HB2  GLN  40           HB2      GLN  40 -15.382  14.848  -9.735
  323    HB3  GLN  40           HB3      GLN  40 -13.695  14.481  -9.370
  324    HG2  GLN  40           HG2      GLN  40 -12.985  14.960 -11.582
  325    HG3  GLN  40           HG3      GLN  40 -14.649  15.132 -12.168
  326   HE21  GLN  40          HE22      GLN  40 -15.873  17.083 -11.500
  327   HE22  GLN  40          HE21      GLN  40 -15.034  18.481 -10.856
  328    H    GLN  41           H        GLN  41 -13.208  10.832 -10.037
  329    HA   GLN  41           HA       GLN  41 -11.661  11.177 -12.569
  330    HB2  GLN  41           HB2      GLN  41 -10.775  11.742 -10.249
  331    HB3  GLN  41           HB3      GLN  41 -11.090  10.093  -9.766
  332    HG2  GLN  41           HG2      GLN  41  -9.396   9.481 -11.657
  333    HG3  GLN  41           HG3      GLN  41  -8.913  11.183 -11.540
  334   HE21  GLN  41          HE22      GLN  41  -8.835  11.811  -8.776
  335   HE22  GLN  41          HE21      GLN  41  -7.939  10.580  -7.928
  336    H    ARG  42           H        ARG  42 -11.502   9.204 -13.873
  337    HA   ARG  42           HA       ARG  42 -12.641   6.727 -12.559
  338    HB2  ARG  42           HB2      ARG  42 -13.425   7.968 -15.066
  339    HB3  ARG  42           HB3      ARG  42 -12.713   6.354 -15.393
  340    HG2  ARG  42           HG2      ARG  42 -14.299   5.254 -14.085
  341    HG3  ARG  42           HG3      ARG  42 -14.815   6.735 -13.239
  342    HD2  ARG  42           HD2      ARG  42 -15.885   7.565 -15.312
  343    HD3  ARG  42           HD3      ARG  42 -15.301   6.137 -16.186
  344    HE   ARG  42           HE       ARG  42 -16.844   5.361 -13.871
  345   HH11  ARG  42          HH21      ARG  42 -17.250   6.473 -17.224
  346   HH12  ARG  42          HH22      ARG  42 -18.915   5.972 -17.336
  347   HH21  ARG  42          HH11      ARG  42 -19.020   4.599 -14.072
  348   HH22  ARG  42          HH12      ARG  42 -19.894   4.871 -15.539
  349    H    LEU  43           H        LEU  43 -11.812   4.698 -13.416
  350    HA   LEU  43           HA       LEU  43  -8.946   4.910 -14.169
  351    HB2  LEU  43           HB2      LEU  43  -9.999   4.151 -11.597
  352    HB3  LEU  43           HB3      LEU  43  -9.535   2.646 -12.377
  353    HG   LEU  43           HG       LEU  43  -7.275   3.452 -12.740
  354   HD11  LEU  43          HD11      LEU  43  -8.346   6.059 -11.547
  355   HD12  LEU  43          HD12      LEU  43  -6.614   5.641 -11.508
  356   HD13  LEU  43          HD13      LEU  43  -7.433   5.822 -13.059
  357   HD21  LEU  43          HD21      LEU  43  -6.554   3.598 -10.401
  358   HD22  LEU  43          HD22      LEU  43  -8.190   3.999  -9.867
  359   HD23  LEU  43          HD23      LEU  43  -7.811   2.383 -10.555
  360    H    ILE  44           H        ILE  44  -8.491   3.816 -15.797
  361    HA   ILE  44           HA       ILE  44 -10.030   1.366 -16.562
  362    HB   ILE  44           HB       ILE  44  -8.540   3.418 -18.221
  363   HG12  ILE  44          HG12      ILE  44 -11.103   3.028 -19.283
  364   HG13  ILE  44          HG13      ILE  44 -11.363   2.767 -17.560
  365   HG21  ILE  44          HG21      ILE  44  -8.046   1.225 -19.291
  366   HG22  ILE  44          HG22      ILE  44  -9.810   1.092 -19.626
  367   HG23  ILE  44          HG23      ILE  44  -8.851   2.432 -20.260
  368   HD11  ILE  44          HD11      ILE  44 -10.568   5.194 -19.041
  369   HD12  ILE  44          HD12      ILE  44 -11.687   5.015 -17.643
  370   HD13  ILE  44          HD13      ILE  44  -9.939   5.034 -17.386
  371    H    PHE  45           H        PHE  45  -8.917  -0.433 -17.271
  372    HA   PHE  45           HA       PHE  45  -5.954  -0.388 -17.170
  373    HB2  PHE  45           HB2      PHE  45  -6.575  -1.169 -14.931
  374    HB3  PHE  45           HB3      PHE  45  -7.777  -2.272 -15.606
  375    HD1  PHE  45           HD1      PHE  45  -4.153  -1.519 -16.216
  376    HD2  PHE  45           HD2      PHE  45  -7.160  -4.535 -15.544
  377    HE1  PHE  45           HE1      PHE  45  -2.395  -3.292 -16.307
  378    HE2  PHE  45           HE2      PHE  45  -5.423  -6.296 -15.647
  379    HZ   PHE  45           HZ       PHE  45  -3.049  -5.686 -15.985
  380    H    ALA  46           H        ALA  46  -5.404  -1.211 -19.131
  381    HA   ALA  46           HA       ALA  46  -5.379  -2.475 -20.998
  382    HB1  ALA  46           HB1      ALA  46  -5.674  -4.879 -20.618
  383    HB2  ALA  46           HB2      ALA  46  -4.922  -4.124 -19.185
  384    HB3  ALA  46           HB3      ALA  46  -6.657  -4.535 -19.172
  385    H    GLY  47           H        GLY  47  -7.529  -0.820 -20.998
  386    HA2  GLY  47           HA2      GLY  47  -9.281  -0.378 -22.454
  387    HA3  GLY  47           HA3      GLY  47  -9.106  -2.004 -23.127
  388    H    LYS  48           H        LYS  48  -9.644  -1.366 -19.675
  389    HA   LYS  48           HA       LYS  48 -12.494  -2.079 -19.744
  390    HB2  LYS  48           HB2      LYS  48 -11.468  -4.235 -19.650
  391    HB3  LYS  48           HB3      LYS  48 -10.210  -3.714 -18.547
  392    HG2  LYS  48           HG2      LYS  48 -11.825  -3.462 -16.732
  393    HG3  LYS  48           HG3      LYS  48 -13.134  -4.002 -17.792
  394    HD2  LYS  48           HD2      LYS  48 -10.677  -5.585 -16.921
  395    HD3  LYS  48           HD3      LYS  48 -12.310  -5.821 -16.309
  396    HE2  LYS  48           HE2      LYS  48 -11.437  -6.295 -19.206
  397    HE3  LYS  48           HE3      LYS  48 -11.535  -7.544 -17.967
  398    HZ1  LYS  48           HZ1      LYS  48 -13.930  -7.117 -17.792
  399    HZ2  LYS  48           HZ2      LYS  48 -13.861  -5.986 -18.978
  400    HZ3  LYS  48           HZ3      LYS  48 -13.517  -7.548 -19.309
  401    H    GLN  49           H        GLN  49 -13.427  -1.525 -17.554
  402    HA   GLN  49           HA       GLN  49 -11.978   0.829 -16.411
  403    HB2  GLN  49           HB2      GLN  49 -13.931   1.336 -17.817
  404    HB3  GLN  49           HB3      GLN  49 -14.929   0.222 -16.865
  405    HG2  GLN  49           HG2      GLN  49 -14.698   1.645 -14.892
  406    HG3  GLN  49           HG3      GLN  49 -13.612   2.739 -15.782
  407   HE21  GLN  49          HE22      GLN  49 -17.001   1.460 -15.679
  408   HE22  GLN  49          HE21      GLN  49 -17.687   2.797 -16.568
  409    H    LEU  50           H        LEU  50 -12.073   1.053 -14.189
  410    HA   LEU  50           HA       LEU  50 -12.740  -1.452 -12.676
  411    HB2  LEU  50           HB2      LEU  50 -10.931   0.706 -11.625
  412    HB3  LEU  50           HB3      LEU  50 -11.001  -1.011 -11.245
  413    HG   LEU  50           HG       LEU  50  -9.784   0.319 -13.667
  414   HD11  LEU  50          HD11      LEU  50  -8.463   0.362 -11.574
  415   HD12  LEU  50          HD12      LEU  50  -8.476  -1.418 -11.561
  416   HD13  LEU  50          HD13      LEU  50  -7.676  -0.535 -12.882
  417   HD21  LEU  50          HD21      LEU  50  -9.116  -2.502 -13.607
  418   HD22  LEU  50          HD22      LEU  50 -10.864  -2.326 -13.686
  419   HD23  LEU  50          HD23      LEU  50  -9.867  -1.543 -14.902
  420    H    GLU  51           H        GLU  51 -13.374  -1.081 -10.363
  421    HA   GLU  51           HA       GLU  51 -14.906   1.430 -10.053
  422    HB2  GLU  51           HB2      GLU  51 -16.777   0.342  -9.122
  423    HB3  GLU  51           HB3      GLU  51 -16.426  -0.447 -10.660
  424    HG2  GLU  51           HG2      GLU  51 -15.247  -2.256  -9.420
  425    HG3  GLU  51           HG3      GLU  51 -15.697  -1.493  -7.890
  426    H    ASP  52           H        ASP  52 -15.270   2.089  -7.896
  427    HA   ASP  52           HA       ASP  52 -12.781   2.416  -6.642
  428    HB2  ASP  52           HB2      ASP  52 -15.632   3.086  -5.898
  429    HB3  ASP  52           HB3      ASP  52 -14.332   3.407  -4.769
  430    H    GLY  53           H        GLY  53 -15.414   0.193  -5.901
  431    HA2  GLY  53           HA2      GLY  53 -14.366  -0.610  -3.322
  432    HA3  GLY  53           HA3      GLY  53 -15.740  -1.302  -4.208
  433    H    ARG  54           H        ARG  54 -13.034  -1.335  -6.307
  434    HA   ARG  54           HA       ARG  54 -12.512  -4.197  -5.616
  435    HB2  ARG  54           HB2      ARG  54 -12.734  -2.681  -8.240
  436    HB3  ARG  54           HB3      ARG  54 -11.904  -4.273  -8.101
  437    HG2  ARG  54           HG2      ARG  54 -14.076  -5.084  -6.916
  438    HG3  ARG  54           HG3      ARG  54 -14.822  -3.622  -7.564
  439    HD2  ARG  54           HD2      ARG  54 -15.042  -4.548  -9.646
  440    HD3  ARG  54           HD3      ARG  54 -13.391  -5.155  -9.609
  441    HE   ARG  54           HE       ARG  54 -13.979  -7.146  -8.896
  442   HH11  ARG  54          HH11      ARG  54 -16.976  -5.158  -8.949
  443   HH12  ARG  54          HH12      ARG  54 -17.989  -6.489  -8.493
  444   HH21  ARG  54          HH21      ARG  54 -15.338  -8.853  -8.325
  445   HH22  ARG  54          HH22      ARG  54 -17.051  -8.647  -8.188
  446    H    THR  55           H        THR  55 -10.222  -4.838  -6.688
  447    HA   THR  55           HA       THR  55  -8.294  -2.777  -5.710
  448    HB   THR  55           HB       THR  55  -7.070  -4.621  -4.712
  449    HG1  THR  55           HG1      THR  55  -8.292  -6.685  -4.452
  450   HG21  THR  55          HG21      THR  55  -8.454  -3.436  -3.197
  451   HG22  THR  55          HG22      THR  55  -9.886  -4.426  -3.601
  452   HG23  THR  55          HG23      THR  55  -8.493  -5.141  -2.756
  453    H    LEU  56           H        LEU  56  -6.106  -3.388  -6.265
  454    HA   LEU  56           HA       LEU  56  -5.907  -3.657  -9.121
  455    HB2  LEU  56           HB2      LEU  56  -3.706  -4.132  -7.054
  456    HB3  LEU  56           HB3      LEU  56  -3.457  -3.726  -8.735
  457    HG   LEU  56           HG       LEU  56  -4.633  -1.954  -6.570
  458   HD11  LEU  56          HD11      LEU  56  -2.707  -0.527  -7.076
  459   HD12  LEU  56          HD12      LEU  56  -2.219  -2.123  -6.501
  460   HD13  LEU  56          HD13      LEU  56  -2.092  -1.737  -8.240
  461   HD21  LEU  56          HD21      LEU  56  -4.375  -1.472  -9.590
  462   HD22  LEU  56          HD22      LEU  56  -5.855  -1.409  -8.600
  463   HD23  LEU  56          HD23      LEU  56  -4.608  -0.168  -8.426
  464    H    SER  57           H        SER  57  -5.281  -6.019  -6.532
  465    HA   SER  57           HA       SER  57  -4.731  -8.277  -8.107
  466    HB2  SER  57           HB2      SER  57  -5.886  -7.798  -5.363
  467    HB3  SER  57           HB3      SER  57  -5.858  -9.445  -6.037
  468    HG   SER  57           HG       SER  57  -3.963  -9.172  -4.934
  469    H    ASP  58           H        ASP  58  -7.960  -6.768  -7.375
  470    HA   ASP  58           HA       ASP  58  -9.458  -9.103  -8.085
  471    HB2  ASP  58           HB2      ASP  58 -10.221  -7.022  -6.840
  472    HB3  ASP  58           HB3      ASP  58 -10.345  -6.235  -8.414
  473    H    TYR  59           H        TYR  59  -7.864  -6.553  -9.856
  474    HA   TYR  59           HA       TYR  59  -8.909  -7.471 -12.482
  475    HB2  TYR  59           HB2      TYR  59  -7.339  -5.024 -11.667
  476    HB3  TYR  59           HB3      TYR  59  -7.890  -5.357 -13.314
  477    HD1  TYR  59           HD2      TYR  59 -10.490  -5.801 -13.589
  478    HD2  TYR  59           HD1      TYR  59  -8.707  -3.722 -10.251
  479    HE1  TYR  59           HE2      TYR  59 -12.688  -4.792 -13.041
  480    HE2  TYR  59           HE1      TYR  59 -10.899  -2.804  -9.647
  481    HH   TYR  59           HH       TYR  59 -13.871  -3.403 -11.579
  482    H    ASN  60           H        ASN  60  -6.596  -8.428 -10.498
  483    HA   ASN  60           HA       ASN  60  -4.756  -9.608 -10.598
  484    HB2  ASN  60           HB2      ASN  60  -6.248 -10.664 -12.592
  485    HB3  ASN  60           HB3      ASN  60  -4.862 -10.143 -13.548
  486   HD21  ASN  60          HD22      ASN  60  -5.734 -11.821 -10.493
  487   HD22  ASN  60          HD21      ASN  60  -4.462 -13.030 -10.563
  488    H    ILE  61           H        ILE  61  -4.675  -6.709 -11.228
  489    HA   ILE  61           HA       ILE  61  -2.275  -6.125 -12.757
  490    HB   ILE  61           HB       ILE  61  -3.871  -4.755 -10.573
  491   HG12  ILE  61          HG12      ILE  61  -3.733  -3.858 -13.447
  492   HG13  ILE  61          HG13      ILE  61  -4.911  -5.076 -12.938
  493   HG21  ILE  61          HG21      ILE  61  -1.570  -3.866 -10.483
  494   HG22  ILE  61          HG22      ILE  61  -1.625  -3.546 -12.241
  495   HG23  ILE  61          HG23      ILE  61  -2.655  -2.639 -11.121
  496   HD11  ILE  61          HD11      ILE  61  -5.938  -2.889 -12.918
  497   HD12  ILE  61          HD12      ILE  61  -5.832  -3.515 -11.265
  498   HD13  ILE  61          HD13      ILE  61  -4.702  -2.281 -11.794
  499    H    GLN  62           H        GLN  62  -0.186  -6.033 -11.907
  500    HA   GLN  62           HA       GLN  62   0.275  -6.859  -9.076
  501    HB2  GLN  62           HB2      GLN  62   1.887  -7.647 -11.551
  502    HB3  GLN  62           HB3      GLN  62   2.249  -8.107  -9.877
  503    HG2  GLN  62           HG2      GLN  62   0.109  -9.368  -9.761
  504    HG3  GLN  62           HG3      GLN  62  -0.242  -8.907 -11.429
  505   HE21  GLN  62          HE22      GLN  62   0.095 -10.591 -12.812
  506   HE22  GLN  62          HE21      GLN  62   1.401 -11.750 -12.702
  507    H    LYS  63           H        LYS  63   2.968  -6.303  -8.942
  508    HA   LYS  63           HA       LYS  63   3.193  -3.487  -9.014
  509    HB2  LYS  63           HB2      LYS  63   5.449  -3.853  -8.372
  510    HB3  LYS  63           HB3      LYS  63   4.493  -5.153  -7.617
  511    HG2  LYS  63           HG2      LYS  63   5.290  -6.662  -9.494
  512    HG3  LYS  63           HG3      LYS  63   6.393  -5.350  -9.969
  513    HD2  LYS  63           HD2      LYS  63   7.274  -5.326  -7.575
  514    HD3  LYS  63           HD3      LYS  63   6.208  -6.693  -7.241
  515    HE2  LYS  63           HE2      LYS  63   8.248  -7.696  -7.569
  516    HE3  LYS  63           HE3      LYS  63   7.412  -7.935  -9.119
  517    HZ1  LYS  63           HZ1      LYS  63   9.501  -5.888  -8.572
  518    HZ2  LYS  63           HZ2      LYS  63   9.710  -7.260  -9.430
  519    HZ3  LYS  63           HZ3      LYS  63   8.752  -6.082 -10.019
  520    H    GLU  64           H        GLU  64   4.781  -2.308 -10.109
  521    HA   GLU  64           HA       GLU  64   5.297  -1.243 -11.902
  522    HB2  GLU  64           HB2      GLU  64   7.264  -2.031 -13.010
  523    HB3  GLU  64           HB3      GLU  64   7.286  -2.576 -11.347
  524    HG2  GLU  64           HG2      GLU  64   6.442  -4.841 -12.331
  525    HG3  GLU  64           HG3      GLU  64   6.908  -4.138 -13.891
  526    H    SER  65           H        SER  65   2.835  -1.793 -12.178
  527    HA   SER  65           HA       SER  65   2.428  -2.790 -14.997
  528    HB2  SER  65           HB2      SER  65   0.636  -3.175 -12.577
  529    HB3  SER  65           HB3      SER  65   0.183  -3.560 -14.242
  530    HG   SER  65           HG       SER  65   2.402  -4.703 -12.854
  531    H    THR  66           H        THR  66   0.775  -1.731 -16.147
  532    HA   THR  66           HA       THR  66   0.681   1.102 -15.347
  533    HB   THR  66           HB       THR  66   0.320  -0.053 -18.141
  534    HG1  THR  66           HG1      THR  66   2.488   0.165 -18.425
  535   HG21  THR  66          HG21      THR  66   1.152   2.752 -17.277
  536   HG22  THR  66          HG22      THR  66   1.012   2.147 -18.941
  537   HG23  THR  66          HG23      THR  66  -0.435   2.306 -17.942
  538    H    LEU  67           H        LEU  67  -1.103   2.295 -15.407
  539    HA   LEU  67           HA       LEU  67  -3.780   1.061 -15.831
  540    HB2  LEU  67           HB2      LEU  67  -2.469   1.960 -13.437
  541    HB3  LEU  67           HB3      LEU  67  -3.504   3.300 -13.916
  542    HG   LEU  67           HG       LEU  67  -5.419   1.729 -13.975
  543   HD11  LEU  67          HD11      LEU  67  -4.104  -0.388 -14.265
  544   HD12  LEU  67          HD12      LEU  67  -3.378  -0.167 -12.672
  545   HD13  LEU  67          HD13      LEU  67  -5.149  -0.444 -12.843
  546   HD21  LEU  67          HD21      LEU  67  -4.926   3.156 -12.028
  547   HD22  LEU  67          HD22      LEU  67  -5.620   1.597 -11.515
  548   HD23  LEU  67          HD23      LEU  67  -3.873   1.884 -11.346
  549    H    HIS  68           H        HIS  68  -5.497   2.936 -16.043
  550    HA   HIS  68           HA       HIS  68  -4.291   5.229 -17.613
  551    HB2  HIS  68           HB2      HIS  68  -6.347   3.185 -18.328
  552    HB3  HIS  68           HB3      HIS  68  -6.726   4.848 -18.763
  553    HD2  HIS  68           HD2      HIS  68  -5.952   5.602 -21.033
  554    HE1  HIS  68           HE1      HIS  68  -3.114   2.573 -21.927
  555    H    LEU  69           H        LEU  69  -5.168   7.330 -17.042
  556    HA   LEU  69           HA       LEU  69  -7.311   7.265 -14.953
  557    HB2  LEU  69           HB2      LEU  69  -4.874   8.040 -14.560
  558    HB3  LEU  69           HB3      LEU  69  -5.231   9.403 -15.597
  559    HG   LEU  69           HG       LEU  69  -5.228   9.906 -13.248
  560   HD11  LEU  69          HD11      LEU  69  -8.022  10.399 -14.317
  561   HD12  LEU  69          HD12      LEU  69  -7.062  11.384 -13.213
  562   HD13  LEU  69          HD13      LEU  69  -6.564  11.250 -14.909
  563   HD21  LEU  69          HD21      LEU  69  -7.797   8.271 -13.072
  564   HD22  LEU  69          HD22      LEU  69  -6.176   7.758 -12.483
  565   HD23  LEU  69          HD23      LEU  69  -6.987   9.151 -11.790
  566    H    VAL  70           H        VAL  70  -9.256   8.252 -15.573
  567    HA   VAL  70           HA       VAL  70  -9.034  10.366 -17.689
  568    HB   VAL  70           HB       VAL  70 -11.132   9.811 -18.626
  569   HG11  VAL  70          HG11      VAL  70  -9.316   7.394 -18.498
  570   HG12  VAL  70          HG12      VAL  70 -10.820   7.404 -19.453
  571   HG13  VAL  70          HG13      VAL  70  -9.581   8.574 -19.818
  572   HG21  VAL  70          HG21      VAL  70 -11.337   7.493 -16.686
  573   HG22  VAL  70          HG22      VAL  70 -12.369   8.970 -16.686
  574   HG23  VAL  70          HG23      VAL  70 -12.491   7.818 -18.006
  575    H    LEU  71           H        LEU  71 -10.783  11.874 -17.619
  576    HA   LEU  71           HA       LEU  71 -11.627  12.568 -14.860
  577    HB2  LEU  71           HB2      LEU  71 -10.424  14.166 -16.491
  578    HB3  LEU  71           HB3      LEU  71 -11.868  14.072 -17.496
  579    HG   LEU  71           HG       LEU  71 -11.377  16.050 -15.805
  580   HD11  LEU  71          HD11      LEU  71 -13.158  16.112 -17.402
  581   HD12  LEU  71          HD12      LEU  71 -14.096  14.892 -16.559
  582   HD13  LEU  71          HD13      LEU  71 -13.854  16.508 -15.830
  583   HD21  LEU  71          HD21      LEU  71 -11.459  14.602 -13.744
  584   HD22  LEU  71          HD22      LEU  71 -12.549  15.998 -13.765
  585   HD23  LEU  71          HD23      LEU  71 -13.195  14.378 -14.060
  586    H    ARG  72           H        ARG  72 -13.766  12.173 -14.446
  587    HA   ARG  72           HA       ARG  72 -15.613  11.742 -16.732
  588    HB2  ARG  72           HB2      ARG  72 -16.645   9.913 -15.658
  589    HB3  ARG  72           HB3      ARG  72 -14.912   9.638 -15.570
  590    HG2  ARG  72           HG2      ARG  72 -15.004   9.419 -13.309
  591    HG3  ARG  72           HG3      ARG  72 -15.727  11.012 -13.143
  592    HD2  ARG  72           HD2      ARG  72 -17.968  10.050 -13.637
  593    HD3  ARG  72           HD3      ARG  72 -17.233   8.441 -13.739
  594    HE   ARG  72           HE       ARG  72 -16.778   9.964 -11.235
  595   HH11  ARG  72          HH11      ARG  72 -19.053   7.692 -12.785
  596   HH12  ARG  72          HH12      ARG  72 -19.649   7.088 -11.284
  597   HH21  ARG  72          HH21      ARG  72 -17.660   9.284  -9.319
  598   HH22  ARG  72          HH22      ARG  72 -18.815   7.993  -9.241
  599    H    LEU  73           H        LEU  73 -15.019  14.127 -15.179
  600    HA   LEU  73           HA       LEU  73 -16.160  16.008 -14.685
  601    HB2  LEU  73           HB2      LEU  73 -18.691  14.525 -15.515
  602    HB3  LEU  73           HB3      LEU  73 -18.506  16.234 -15.296
  603    HG   LEU  73           HG       LEU  73 -18.575  15.699 -17.594
  604   HD11  LEU  73          HD11      LEU  73 -16.776  16.976 -18.421
  605   HD12  LEU  73          HD12      LEU  73 -17.207  17.604 -16.839
  606   HD13  LEU  73          HD13      LEU  73 -15.764  16.601 -17.020
  607   HD21  LEU  73          HD21      LEU  73 -17.634  13.353 -17.537
  608   HD22  LEU  73          HD22      LEU  73 -17.131  14.353 -18.875
  609   HD23  LEU  73          HD23      LEU  73 -16.007  14.090 -17.557
  610    H    ARG  74           H        ARG  74 -18.272  13.308 -13.366
  611    HA   ARG  74           HA       ARG  74 -18.251  14.545 -10.694
  612    HB2  ARG  74           HB2      ARG  74 -20.567  15.190 -10.768
  613    HB3  ARG  74           HB3      ARG  74 -19.796  15.861 -12.216
  614    HG2  ARG  74           HG2      ARG  74 -20.701  13.969 -13.562
  615    HG3  ARG  74           HG3      ARG  74 -21.565  13.377 -12.141
  616    HD2  ARG  74           HD2      ARG  74 -22.853  15.474 -12.016
  617    HD3  ARG  74           HD3      ARG  74 -22.008  16.093 -13.436
  618    HE   ARG  74           HE       ARG  74 -24.055  13.963 -13.294
  619   HH11  ARG  74          HH11      ARG  74 -21.888  15.794 -15.436
  620   HH12  ARG  74          HH12      ARG  74 -22.329  14.876 -16.856
  621   HH21  ARG  74          HH21      ARG  74 -24.558  12.732 -15.215
  622   HH22  ARG  74          HH22      ARG  74 -23.652  13.020 -16.673
  623    H    GLY  75           H        GLY  75 -20.104  13.316  -9.376
  624    HA2  GLY  75           HA2      GLY  75 -21.035  10.786 -10.441
  625    HA3  GLY  75           HA3      GLY  75 -19.784  10.586  -9.201
  626    H    GLY  76           H        GLY  76 -20.279  12.555  -7.370
  627    HA2  GLY  76           HA2      GLY  76 -23.022  13.187  -6.815
  628    HA3  GLY  76           HA3      GLY  76 -22.492  11.807  -5.837
  629    H1   GLY  -3           H1       GLY  -3 -12.895  15.477 -32.104
  630    H2   GLY  -3           H2       GLY  -3 -14.166  16.504 -32.103
  631    H3   GLY  -3           H3       GLY  -3 -14.370  14.959 -31.607
  632    HA2  GLY  -3           HA2      GLY  -3 -12.747  17.004 -30.222
  633    HA3  GLY  -3           HA3      GLY  -3 -14.337  16.435 -29.704
  634    H    HIS  -2           H        HIS  -2 -11.058  16.073 -29.139
  635    HA   HIS  -2           HA       HIS  -2 -11.338  13.297 -28.058
  636    HB2  HIS  -2           HB2      HIS  -2  -9.026  12.905 -28.921
  637    HB3  HIS  -2           HB3      HIS  -2 -10.211  13.172 -30.182
  638    HD2  HIS  -2           HD2      HIS  -2  -9.267  14.634 -32.079
  639    HE1  HIS  -2           HE1      HIS  -2  -6.691  17.222 -29.880
  640    H    MET  -1           H        MET  -1 -11.259  16.231 -26.860
  641    HA   MET  -1           HA       MET  -1  -9.887  15.475 -24.491
  642    HB2  MET  -1           HB2      MET  -1  -8.212  17.326 -24.454
  643    HB3  MET  -1           HB3      MET  -1  -7.874  16.162 -25.728
  644    HG2  MET  -1           HG2      MET  -1  -9.015  17.733 -27.365
  645    HG3  MET  -1           HG3      MET  -1  -9.126  18.921 -26.059
  646    HE1  MET  -1           HE1      MET  -1  -7.890  20.734 -27.518
  647    HE2  MET  -1           HE2      MET  -1  -6.347  20.449 -28.350
  648    HE3  MET  -1           HE3      MET  -1  -7.801  19.563 -28.863
  649    H    PHE 679           H        PHE 679 -10.047  17.390 -22.838
  650    HA   PHE 679           HA       PHE 679 -11.906  19.486 -23.650
  651    HB2  PHE 679           HB2      PHE 679 -13.499  17.870 -23.100
  652    HB3  PHE 679           HB3      PHE 679 -12.694  17.387 -21.639
  653    HD1  PHE 679           HD1      PHE 679 -13.710  20.790 -23.006
  654    HD2  PHE 679           HD2      PHE 679 -14.197  17.876 -19.855
  655    HE1  PHE 679           HE1      PHE 679 -15.179  22.357 -21.770
  656    HE2  PHE 679           HE2      PHE 679 -15.660  19.453 -18.628
  657    HZ   PHE 679           HZ       PHE 679 -16.154  21.697 -19.579
  658    HA   PRO 680           HA       PRO 680  -9.430  20.950 -19.987
  659    HB2  PRO 680           HB2      PRO 680  -8.582  19.465 -17.881
  660    HB3  PRO 680           HB3      PRO 680 -10.265  20.059 -17.995
  661    HG2  PRO 680           HG2      PRO 680  -9.225  17.328 -18.753
  662    HG3  PRO 680           HG3      PRO 680 -10.644  17.724 -17.741
  663    HD2  PRO 680           HD2      PRO 680 -10.870  17.154 -20.416
  664    HD3  PRO 680           HD3      PRO 680 -11.919  18.340 -19.594
  665    H    SER 681           H        SER 681  -7.036  21.006 -19.491
  666    HA   SER 681           HA       SER 681  -5.425  19.972 -21.542
  667    HB2  SER 681           HB2      SER 681  -4.525  20.805 -18.760
  668    HB3  SER 681           HB3      SER 681  -3.595  20.903 -20.264
  669    HG   SER 681           HG       SER 681  -4.981  22.528 -20.988
  670    H    ASP 682           H        ASP 682  -6.529  18.342 -18.673
  671    HA   ASP 682           HA       ASP 682  -4.505  16.335 -18.407
  672    HB2  ASP 682           HB2      ASP 682  -6.320  16.961 -16.768
  673    HB3  ASP 682           HB3      ASP 682  -7.438  16.078 -17.837
  674    H    ILE 683           H        ILE 683  -6.345  16.784 -21.187
  675    HA   ILE 683           HA       ILE 683  -6.225  13.875 -21.681
  676    HB   ILE 683           HB       ILE 683  -8.425  15.465 -22.894
  677   HG12  ILE 683          HG12      ILE 683  -8.723  16.045 -20.522
  678   HG13  ILE 683          HG13      ILE 683 -10.035  15.153 -21.238
  679   HG21  ILE 683          HG21      ILE 683  -9.300  12.944 -22.122
  680   HG22  ILE 683          HG22      ILE 683  -8.806  13.497 -23.743
  681   HG23  ILE 683          HG23      ILE 683  -7.638  12.710 -22.699
  682   HD11  ILE 683          HD11      ILE 683  -9.552  14.525 -18.881
  683   HD12  ILE 683          HD12      ILE 683  -9.481  13.135 -19.969
  684   HD13  ILE 683          HD13      ILE 683  -7.998  13.862 -19.368
  685    H    ASP 684           H        ASP 684  -5.602  13.203 -23.691
  686    HA   ASP 684           HA       ASP 684  -4.800  15.108 -25.803
  687    HB2  ASP 684           HB2      ASP 684  -2.858  14.877 -24.309
  688    HB3  ASP 684           HB3      ASP 684  -3.032  13.119 -24.284
  689    HA   PRO 685           HA       PRO 685  -6.785  11.925 -28.091
  690    HB2  PRO 685           HB2      PRO 685  -5.392  11.885 -30.505
  691    HB3  PRO 685           HB3      PRO 685  -6.654  13.049 -30.039
  692    HG2  PRO 685           HG2      PRO 685  -3.658  13.373 -29.850
  693    HG3  PRO 685           HG3      PRO 685  -4.873  14.564 -30.421
  694    HD2  PRO 685           HD2      PRO 685  -3.851  14.711 -27.938
  695    HD3  PRO 685           HD3      PRO 685  -5.576  15.025 -28.199
  696    H    GLN 686           H        GLN 686  -3.219  11.531 -27.705
  697    HA   GLN 686           HA       GLN 686  -3.108   8.976 -29.002
  698    HB2  GLN 686           HB2      GLN 686  -1.315  10.218 -26.867
  699    HB3  GLN 686           HB3      GLN 686  -0.913   8.783 -27.810
  700    HG2  GLN 686           HG2      GLN 686  -0.754   9.991 -29.847
  701    HG3  GLN 686           HG3      GLN 686  -1.569  11.416 -29.199
  702   HE21  GLN 686          HE22      GLN 686  -0.495  12.560 -27.348
  703   HE22  GLN 686          HE21      GLN 686   1.268  12.695 -27.397
  704    H    VAL 687           H        VAL 687  -3.221   9.812 -25.465
  705    HA   VAL 687           HA       VAL 687  -3.447   7.039 -24.692
  706    HB   VAL 687           HB       VAL 687  -4.343   9.436 -23.046
  707   HG11  VAL 687          HG11      VAL 687  -3.612   7.968 -21.159
  708   HG12  VAL 687          HG12      VAL 687  -4.848   7.184 -22.174
  709   HG13  VAL 687          HG13      VAL 687  -3.191   6.697 -22.346
  710   HG21  VAL 687          HG21      VAL 687  -1.516   8.483 -23.603
  711   HG22  VAL 687          HG22      VAL 687  -2.174  10.133 -23.720
  712   HG23  VAL 687          HG23      VAL 687  -1.963   9.383 -22.134
  713    H    PHE 688           H        PHE 688  -5.744   9.677 -25.269
  714    HA   PHE 688           HA       PHE 688  -8.113   8.445 -24.423
  715    HB2  PHE 688           HB2      PHE 688  -7.631  10.724 -24.702
  716    HB3  PHE 688           HB3      PHE 688  -7.500  10.568 -26.462
  717    HD1  PHE 688           HD1      PHE 688 -10.053  10.282 -23.707
  718    HD2  PHE 688           HD2      PHE 688  -9.334  10.520 -27.950
  719    HE1  PHE 688           HE1      PHE 688 -12.509  10.481 -24.124
  720    HE2  PHE 688           HE2      PHE 688 -11.771  10.768 -28.347
  721    HZ   PHE 688           HZ       PHE 688 -13.348  10.781 -26.430
  722    H    TYR 689           H        TYR 689  -6.136   7.876 -27.351
  723    HA   TYR 689           HA       TYR 689  -8.268   6.388 -28.701
  724    HB2  TYR 689           HB2      TYR 689  -6.425   7.797 -29.800
  725    HB3  TYR 689           HB3      TYR 689  -5.316   6.495 -29.402
  726    HD1  TYR 689           HD2      TYR 689  -8.189   7.589 -31.424
  727    HD2  TYR 689           HD1      TYR 689  -5.484   4.325 -30.616
  728    HE1  TYR 689           HE2      TYR 689  -8.947   6.457 -33.499
  729    HE2  TYR 689           HE1      TYR 689  -6.228   3.182 -32.693
  730    HH   TYR 689           HH       TYR 689  -8.728   4.582 -34.877
  731    H    GLU 690           H        GLU 690  -5.318   5.708 -26.745
  732    HA   GLU 690           HA       GLU 690  -5.343   2.842 -26.899
  733    HB2  GLU 690           HB2      GLU 690  -3.561   4.454 -25.957
  734    HB3  GLU 690           HB3      GLU 690  -4.560   4.492 -24.505
  735    HG2  GLU 690           HG2      GLU 690  -2.788   2.863 -24.241
  736    HG3  GLU 690           HG3      GLU 690  -4.332   2.027 -24.290
  737    H    LEU 691           H        LEU 691  -7.194   5.177 -25.140
  738    HA   LEU 691           HA       LEU 691  -8.456   3.749 -23.144
  739    HB2  LEU 691           HB2      LEU 691  -8.449   6.295 -24.163
  740    HB3  LEU 691           HB3      LEU 691 -10.017   5.771 -24.736
  741    HG   LEU 691           HG       LEU 691 -10.560   5.249 -22.336
  742   HD11  LEU 691          HD11      LEU 691  -7.935   6.684 -21.861
  743   HD12  LEU 691          HD12      LEU 691  -9.106   6.218 -20.594
  744   HD13  LEU 691          HD13      LEU 691  -8.253   4.981 -21.475
  745   HD21  LEU 691          HD21      LEU 691 -10.012   8.011 -23.320
  746   HD22  LEU 691          HD22      LEU 691 -11.548   7.147 -23.125
  747   HD23  LEU 691          HD23      LEU 691 -10.698   7.726 -21.699
  748    HA   PRO 692           HA       PRO 692 -11.535   1.153 -25.304
  749    HB2  PRO 692           HB2      PRO 692 -13.508   1.031 -23.390
  750    HB3  PRO 692           HB3      PRO 692 -11.958   0.147 -23.235
  751    HG2  PRO 692           HG2      PRO 692 -12.568   2.950 -22.197
  752    HG3  PRO 692           HG3      PRO 692 -12.047   1.524 -21.212
  753    HD2  PRO 692           HD2      PRO 692 -10.240   3.254 -22.035
  754    HD3  PRO 692           HD3      PRO 692  -9.895   1.547 -22.351
  755    H    GLU 693           H        GLU 693 -13.362   1.597 -26.614
  756    HA   GLU 693           HA       GLU 693 -13.922   4.327 -27.104
  757    HB2  GLU 693           HB2      GLU 693 -14.097   2.432 -28.747
  758    HB3  GLU 693           HB3      GLU 693 -15.605   1.937 -27.949
  759    HG2  GLU 693           HG2      GLU 693 -16.500   4.270 -28.381
  760    HG3  GLU 693           HG3      GLU 693 -15.035   4.621 -29.295
  761    H    ALA 694           H        ALA 694 -15.837   1.892 -25.229
  762    HA   ALA 694           HA       ALA 694 -18.122   3.556 -25.030
  763    HB1  ALA 694           HB1      ALA 694 -17.191   1.360 -23.135
  764    HB2  ALA 694           HB2      ALA 694 -18.831   2.045 -23.228
  765    HB3  ALA 694           HB3      ALA 694 -18.172   1.161 -24.618
  766    H    VAL 695           H        VAL 695 -15.207   3.411 -22.942
  767    HA   VAL 695           HA       VAL 695 -16.346   5.306 -21.027
  768    HB   VAL 695           HB       VAL 695 -13.393   4.747 -21.438
  769   HG11  VAL 695          HG11      VAL 695 -15.010   5.749 -19.051
  770   HG12  VAL 695          HG12      VAL 695 -13.284   5.381 -19.031
  771   HG13  VAL 695          HG13      VAL 695 -13.877   6.704 -20.028
  772   HG21  VAL 695          HG21      VAL 695 -14.590   2.562 -20.990
  773   HG22  VAL 695          HG22      VAL 695 -13.605   3.061 -19.614
  774   HG23  VAL 695          HG23      VAL 695 -15.371   3.298 -19.590
  775    H    GLN 696           H        GLN 696 -14.281   5.563 -24.018
  776    HA   GLN 696           HA       GLN 696 -13.863   8.345 -23.805
  777    HB2  GLN 696           HB2      GLN 696 -14.396   6.707 -26.342
  778    HB3  GLN 696           HB3      GLN 696 -13.853   8.360 -26.340
  779    HG2  GLN 696           HG2      GLN 696 -11.693   7.763 -25.465
  780    HG3  GLN 696           HG3      GLN 696 -12.223   6.122 -25.128
  781   HE21  GLN 696          HE22      GLN 696 -11.080   4.800 -26.664
  782   HE22  GLN 696          HE21      GLN 696 -11.127   5.099 -28.379
  783    H    LYS 697           H        LYS 697 -16.587   6.481 -25.125
  784    HA   LYS 697           HA       LYS 697 -18.233   8.503 -26.113
  785    HB2  LYS 697           HB2      LYS 697 -18.437   5.754 -25.810
  786    HB3  LYS 697           HB3      LYS 697 -19.586   6.299 -24.609
  787    HG2  LYS 697           HG2      LYS 697 -21.057   6.287 -26.298
  788    HG3  LYS 697           HG3      LYS 697 -20.372   7.846 -26.735
  789    HD2  LYS 697           HD2      LYS 697 -19.527   5.111 -27.830
  790    HD3  LYS 697           HD3      LYS 697 -20.591   6.264 -28.648
  791    HE2  LYS 697           HE2      LYS 697 -18.679   7.946 -28.600
  792    HE3  LYS 697           HE3      LYS 697 -17.617   6.648 -28.015
  793    HZ1  LYS 697           HZ1      LYS 697 -19.121   6.622 -30.594
  794    HZ2  LYS 697           HZ2      LYS 697 -17.527   6.903 -30.453
  795    HZ3  LYS 697           HZ3      LYS 697 -18.123   5.421 -30.103
  796    H    GLU 698           H        GLU 698 -18.033   7.271 -22.770
  797    HA   GLU 698           HA       GLU 698 -20.058   8.941 -21.634
  798    HB2  GLU 698           HB2      GLU 698 -18.300   7.064 -20.511
  799    HB3  GLU 698           HB3      GLU 698 -17.623   8.580 -19.914
  800    HG2  GLU 698           HG2      GLU 698 -19.072   8.271 -18.252
  801    HG3  GLU 698           HG3      GLU 698 -20.146   9.149 -19.318
  802    H    LEU 699           H        LEU 699 -16.553   9.305 -21.920
  803    HA   LEU 699           HA       LEU 699 -16.270  11.764 -20.590
  804    HB2  LEU 699           HB2      LEU 699 -14.669  10.157 -22.582
  805    HB3  LEU 699           HB3      LEU 699 -14.123  11.755 -22.208
  806    HG   LEU 699           HG       LEU 699 -13.433  11.239 -20.118
  807   HD11  LEU 699          HD11      LEU 699 -15.377   8.942 -19.809
  808   HD12  LEU 699          HD12      LEU 699 -14.195   9.511 -18.606
  809   HD13  LEU 699          HD13      LEU 699 -15.525  10.558 -19.051
  810   HD21  LEU 699          HD21      LEU 699 -12.401   8.964 -20.170
  811   HD22  LEU 699          HD22      LEU 699 -13.392   8.575 -21.565
  812   HD23  LEU 699          HD23      LEU 699 -12.183   9.878 -21.672
  813    H    LEU 700           H        LEU 700 -16.235  11.268 -24.158
  814    HA   LEU 700           HA       LEU 700 -16.136  14.047 -24.667
  815    HB2  LEU 700           HB2      LEU 700 -16.656  13.560 -26.959
  816    HB3  LEU 700           HB3      LEU 700 -15.462  12.447 -26.308
  817    HG   LEU 700           HG       LEU 700 -17.779  11.060 -25.845
  818   HD11  LEU 700          HD11      LEU 700 -19.136  12.797 -27.097
  819   HD12  LEU 700          HD12      LEU 700 -18.204  12.396 -28.546
  820   HD13  LEU 700          HD13      LEU 700 -19.237  11.165 -27.773
  821   HD21  LEU 700          HD21      LEU 700 -16.134  10.957 -28.394
  822   HD22  LEU 700          HD22      LEU 700 -15.717  10.183 -26.860
  823   HD23  LEU 700          HD23      LEU 700 -17.152   9.646 -27.733
  824    H    ALA 701           H        ALA 701 -18.996  11.895 -24.239
  825    HA   ALA 701           HA       ALA 701 -20.852  13.878 -25.178
  826    HB1  ALA 701           HB1      ALA 701 -21.310  11.474 -25.165
  827    HB2  ALA 701           HB2      ALA 701 -21.264  11.451 -23.384
  828    HB3  ALA 701           HB3      ALA 701 -22.538  12.368 -24.234
  829    H    GLU 702           H        GLU 702 -19.759  12.891 -21.884
  830    HA   GLU 702           HA       GLU 702 -21.327  14.868 -20.506
  831    HB2  GLU 702           HB2      GLU 702 -18.791  13.327 -19.770
  832    HB3  GLU 702           HB3      GLU 702 -19.663  14.353 -18.655
  833    HG2  GLU 702           HG2      GLU 702 -20.833  11.901 -19.931
  834    HG3  GLU 702           HG3      GLU 702 -20.068  12.014 -18.333
  835    H    TRP 703           H        TRP 703 -17.993  14.848 -21.802
  836    HA   TRP 703           HA       TRP 703 -17.206  17.228 -20.558
  837    HB2  TRP 703           HB2      TRP 703 -16.450  16.049 -23.262
  838    HB3  TRP 703           HB3      TRP 703 -15.659  17.439 -22.593
  839    HD1  TRP 703           HD1      TRP 703 -15.542  15.462 -19.607
  840    HE1  TRP 703           HE1      TRP 703 -13.625  13.819 -19.486
  841    HE3  TRP 703           HE3      TRP 703 -14.184  15.462 -24.537
  842    HZ2  TRP 703           HZ2      TRP 703 -11.529  12.809 -21.252
  843    HZ3  TRP 703           HZ3      TRP 703 -12.317  14.037 -25.299
  844    HH2  TRP 703           HH2      TRP 703 -10.965  12.746 -23.673
  845    H    LYS 704           H        LYS 704 -18.696  16.581 -23.728
  846    HA   LYS 704           HA       LYS 704 -19.038  19.246 -24.634
  847    HB2  LYS 704           HB2      LYS 704 -19.097  17.331 -26.055
  848    HB3  LYS 704           HB3      LYS 704 -20.416  16.584 -25.186
  849    HG2  LYS 704           HG2      LYS 704 -20.805  19.228 -26.610
  850    HG3  LYS 704           HG3      LYS 704 -20.780  17.696 -27.498
  851    HD2  LYS 704           HD2      LYS 704 -22.763  18.376 -25.286
  852    HD3  LYS 704           HD3      LYS 704 -23.060  18.431 -27.029
  853    HE2  LYS 704           HE2      LYS 704 -22.293  15.939 -27.048
  854    HE3  LYS 704           HE3      LYS 704 -22.482  15.983 -25.289
  855    HZ1  LYS 704           HZ1      LYS 704 -24.509  15.184 -26.378
  856    HZ2  LYS 704           HZ2      LYS 704 -24.854  16.634 -25.688
  857    HZ3  LYS 704           HZ3      LYS 704 -24.626  16.518 -27.301
  858    H    ARG 705           H        ARG 705 -21.143  17.139 -22.609
  859    HA   ARG 705           HA       ARG 705 -23.381  18.936 -22.599
  860    HB2  ARG 705           HB2      ARG 705 -22.503  16.568 -20.916
  861    HB3  ARG 705           HB3      ARG 705 -23.868  17.559 -20.383
  862    HG2  ARG 705           HG2      ARG 705 -25.104  17.138 -22.374
  863    HG3  ARG 705           HG3      ARG 705 -23.710  16.435 -23.201
  864    HD2  ARG 705           HD2      ARG 705 -25.206  14.652 -22.544
  865    HD3  ARG 705           HD3      ARG 705 -23.703  14.530 -21.606
  866    HE   ARG 705           HE       ARG 705 -25.648  16.069 -20.167
  867   HH11  ARG 705          HH21      ARG 705 -25.058  12.691 -21.123
  868   HH12  ARG 705          HH22      ARG 705 -25.883  12.014 -19.764
  869   HH21  ARG 705          HH11      ARG 705 -26.771  15.161 -18.370
  870   HH22  ARG 705          HH12      ARG 705 -26.909  13.450 -18.200
  871    H    THR 706           H        THR 706 -20.720  18.494 -20.129
  872    HA   THR 706           HA       THR 706 -21.882  20.596 -18.534
  873    HB   THR 706           HB       THR 706 -19.710  20.420 -17.253
  874    HG1  THR 706           HG1      THR 706 -18.259  19.743 -18.810
  875   HG21  THR 706          HG21      THR 706 -20.105  18.178 -16.386
  876   HG22  THR 706          HG22      THR 706 -21.658  18.971 -16.713
  877   HG23  THR 706          HG23      THR 706 -21.037  17.730 -17.833
  878    H    GLY 707           H        GLY 707 -19.629  20.421 -21.171
  879    HA2  GLY 707           HA2      GLY 707 -18.053  22.568 -21.247
  880    HA3  GLY 707           HA3      GLY 707 -18.932  21.918 -22.644
  Start of MODEL    2
    1    H1   MET   1           H1       MET   1   4.625  -3.030  -2.782
    2    H2   MET   1           H2       MET   1   5.122  -1.466  -2.727
    3    H3   MET   1           H3       MET   1   3.554  -1.792  -3.001
    4    HA   MET   1           HA       MET   1   5.832  -2.368  -4.806
    5    HB2  MET   1           HB2      MET   1   4.371  -3.219  -6.439
    6    HB3  MET   1           HB3      MET   1   4.141  -4.169  -4.972
    7    HG2  MET   1           HG2      MET   1   1.960  -2.825  -4.681
    8    HG3  MET   1           HG3      MET   1   2.280  -2.158  -6.295
    9    HE1  MET   1           HE1      MET   1  -0.429  -3.318  -6.475
   10    HE2  MET   1           HE2      MET   1   0.474  -3.187  -8.019
   11    HE3  MET   1           HE3      MET   1  -0.377  -4.687  -7.594
   12    H    GLN   2           H        GLN   2   5.249  -1.265  -7.137
   13    HA   GLN   2           HA       GLN   2   3.732   1.235  -6.691
   14    HB2  GLN   2           HB2      GLN   2   5.392   2.549  -7.709
   15    HB3  GLN   2           HB3      GLN   2   6.259   1.501  -6.581
   16    HG2  GLN   2           HG2      GLN   2   6.892   0.017  -8.520
   17    HG3  GLN   2           HG3      GLN   2   6.140   1.173  -9.618
   18   HE21  GLN   2          HE22      GLN   2   9.013   0.514  -9.802
   19   HE22  GLN   2          HE21      GLN   2   9.870   1.948  -9.329
   20    H    ILE   3           H        ILE   3   2.827   2.151  -8.628
   21    HA   ILE   3           HA       ILE   3   2.755   0.362 -11.069
   22    HB   ILE   3           HB       ILE   3   0.284   0.683 -11.185
   23   HG12  ILE   3          HG12      ILE   3   0.340   1.334  -8.213
   24   HG13  ILE   3          HG13      ILE   3   0.424   2.607  -9.401
   25   HG21  ILE   3          HG21      ILE   3   1.225  -0.959  -8.760
   26   HG22  ILE   3          HG22      ILE   3  -0.232  -1.229  -9.741
   27   HG23  ILE   3          HG23      ILE   3   1.375  -1.456 -10.447
   28   HD11  ILE   3          HD11      ILE   3  -1.840   0.622  -9.240
   29   HD12  ILE   3          HD12      ILE   3  -1.846   2.329  -8.713
   30   HD13  ILE   3          HD13      ILE   3  -1.643   1.940 -10.435
   31    H    PHE   4           H        PHE   4   1.858   1.444 -12.891
   32    HA   PHE   4           HA       PHE   4   2.732   4.298 -12.873
   33    HB2  PHE   4           HB2      PHE   4   2.770   2.463 -15.271
   34    HB3  PHE   4           HB3      PHE   4   3.654   3.950 -14.950
   35    HD1  PHE   4           HD2      PHE   4   5.060   3.705 -12.589
   36    HD2  PHE   4           HD1      PHE   4   4.145   0.549 -15.359
   37    HE1  PHE   4           HE2      PHE   4   6.970   2.375 -11.718
   38    HE2  PHE   4           HE1      PHE   4   6.178  -0.677 -14.602
   39    HZ   PHE   4           HZ       PHE   4   7.611   0.257 -12.812
   40    H    VAL   5           H        VAL   5   0.780   5.397 -12.729
   41    HA   VAL   5           HA       VAL   5  -1.519   4.415 -14.349
   42    HB   VAL   5           HB       VAL   5  -1.413   6.677 -12.346
   43   HG11  VAL   5          HG11      VAL   5  -3.874   6.510 -12.433
   44   HG12  VAL   5          HG12      VAL   5  -3.176   7.019 -13.980
   45   HG13  VAL   5          HG13      VAL   5  -3.768   5.355 -13.785
   46   HG21  VAL   5          HG21      VAL   5  -2.599   5.078 -10.885
   47   HG22  VAL   5          HG22      VAL   5  -2.492   3.823 -12.107
   48   HG23  VAL   5          HG23      VAL   5  -1.022   4.407 -11.355
   49    H    LYS   6           H        LYS   6  -1.081   4.810 -16.474
   50    HA   LYS   6           HA       LYS   6   0.125   7.324 -17.371
   51    HB2  LYS   6           HB2      LYS   6   0.048   5.035 -18.654
   52    HB3  LYS   6           HB3      LYS   6  -1.622   5.484 -19.052
   53    HG2  LYS   6           HG2      LYS   6  -0.556   7.817 -19.763
   54    HG3  LYS   6           HG3      LYS   6   0.971   6.950 -19.663
   55    HD2  LYS   6           HD2      LYS   6  -0.307   5.215 -21.242
   56    HD3  LYS   6           HD3      LYS   6  -1.368   6.625 -21.561
   57    HE2  LYS   6           HE2      LYS   6   0.302   6.611 -23.267
   58    HE3  LYS   6           HE3      LYS   6   0.653   7.962 -22.166
   59    HZ1  LYS   6           HZ1      LYS   6   2.659   6.704 -22.823
   60    HZ2  LYS   6           HZ2      LYS   6   2.460   6.583 -21.211
   61    HZ3  LYS   6           HZ3      LYS   6   2.065   5.324 -22.199
   62    H    THR   7           H        THR   7  -1.002   9.266 -17.399
   63    HA   THR   7           HA       THR   7  -3.862   9.105 -17.005
   64    HB   THR   7           HB       THR   7  -3.769  11.503 -17.190
   65    HG1  THR   7           HG1      THR   7  -1.628  12.445 -17.538
   66   HG21  THR   7          HG21      THR   7  -2.310  11.943 -15.198
   67   HG22  THR   7          HG22      THR   7  -3.468  10.612 -15.033
   68   HG23  THR   7          HG23      THR   7  -1.738  10.264 -15.311
   69    H    LEU   8           H        LEU   8  -5.360  10.190 -18.408
   70    HA   LEU   8           HA       LEU   8  -4.909   9.578 -21.215
   71    HB2  LEU   8           HB2      LEU   8  -6.900  11.544 -20.082
   72    HB3  LEU   8           HB3      LEU   8  -6.685  11.062 -21.772
   73    HG   LEU   8           HG       LEU   8  -7.919   9.544 -19.575
   74   HD11  LEU   8          HD11      LEU   8  -9.389  10.785 -20.930
   75   HD12  LEU   8          HD12      LEU   8  -8.740  10.023 -22.412
   76   HD13  LEU   8          HD13      LEU   8  -9.645   9.070 -21.203
   77   HD21  LEU   8          HD21      LEU   8  -7.864   7.461 -20.987
   78   HD22  LEU   8          HD22      LEU   8  -6.758   8.291 -22.096
   79   HD23  LEU   8          HD23      LEU   8  -6.282   7.912 -20.396
   80    H    THR   9           H        THR   9  -3.577  12.038 -19.157
   81    HA   THR   9           HA       THR   9  -3.510  14.142 -21.096
   82    HB   THR   9           HB       THR   9  -2.631  15.439 -19.436
   83    HG1  THR   9           HG1      THR   9  -0.651  14.765 -19.005
   84   HG21  THR   9          HG21      THR   9  -4.277  13.528 -18.020
   85   HG22  THR   9          HG22      THR   9  -2.885  13.944 -17.022
   86   HG23  THR   9          HG23      THR   9  -3.893  15.202 -17.650
   87    H    GLY  10           H        GLY  10  -1.831  11.196 -20.727
   88    HA2  GLY  10           HA2      GLY  10  -0.067  10.359 -22.032
   89    HA3  GLY  10           HA3      GLY  10   0.354  12.000 -22.554
   90    H    LYS  11           H        LYS  11  -0.234  11.280 -19.068
   91    HA   LYS  11           HA       LYS  11   2.729  11.618 -18.648
   92    HB2  LYS  11           HB2      LYS  11   1.568  13.652 -18.073
   93    HB3  LYS  11           HB3      LYS  11   0.377  12.779 -17.109
   94    HG2  LYS  11           HG2      LYS  11   3.249  12.385 -16.378
   95    HG3  LYS  11           HG3      LYS  11   2.552  13.980 -16.069
   96    HD2  LYS  11           HD2      LYS  11   1.519  11.351 -14.965
   97    HD3  LYS  11           HD3      LYS  11   2.517  12.510 -14.096
   98    HE2  LYS  11           HE2      LYS  11  -0.326  12.982 -15.116
   99    HE3  LYS  11           HE3      LYS  11   0.151  12.663 -13.446
  100    HZ1  LYS  11           HZ1      LYS  11   0.870  15.107 -14.988
  101    HZ2  LYS  11           HZ2      LYS  11  -0.254  14.968 -13.806
  102    HZ3  LYS  11           HZ3      LYS  11   1.344  14.792 -13.435
  103    H    THR  12           H        THR  12   3.544   9.729 -17.784
  104    HA   THR  12           HA       THR  12   1.649   7.989 -16.336
  105    HB   THR  12           HB       THR  12   4.510   7.264 -16.658
  106    HG1  THR  12           HG1      THR  12   4.374   6.918 -18.805
  107   HG21  THR  12          HG21      THR  12   2.545   5.872 -15.696
  108   HG22  THR  12          HG22      THR  12   1.957   5.755 -17.391
  109   HG23  THR  12          HG23      THR  12   3.535   5.072 -16.958
  110    H    ILE  13           H        ILE  13   1.220   8.297 -14.356
  111    HA   ILE  13           HA       ILE  13   3.304   9.468 -12.593
  112    HB   ILE  13           HB       ILE  13   1.665  10.829 -12.283
  113   HG12  ILE  13          HG12      ILE  13   1.942   9.146 -10.121
  114   HG13  ILE  13          HG13      ILE  13   1.130  10.673 -10.126
  115   HG21  ILE  13          HG21      ILE  13  -0.041  10.137 -13.798
  116   HG22  ILE  13          HG22      ILE  13  -0.563   8.836 -12.714
  117   HG23  ILE  13          HG23      ILE  13  -0.761  10.563 -12.236
  118   HD11  ILE  13          HD11      ILE  13  -0.365   8.107 -10.626
  119   HD12  ILE  13          HD12      ILE  13  -0.061   8.723  -9.012
  120   HD13  ILE  13          HD13      ILE  13  -1.031   9.714 -10.132
  121    H    THR  14           H        THR  14   4.449   8.078 -11.549
  122    HA   THR  14           HA       THR  14   3.501   5.358 -11.143
  123    HB   THR  14           HB       THR  14   5.978   6.736 -10.133
  124    HG1  THR  14           HG1      THR  14   6.984   6.105 -11.996
  125   HG21  THR  14          HG21      THR  14   6.876   4.273 -10.267
  126   HG22  THR  14          HG22      THR  14   5.726   4.614  -8.958
  127   HG23  THR  14          HG23      THR  14   5.193   3.758 -10.413
  128    H    LEU  15           H        LEU  15   2.828   4.571  -9.078
  129    HA   LEU  15           HA       LEU  15   3.176   6.347  -6.764
  130    HB2  LEU  15           HB2      LEU  15   0.911   6.241  -6.063
  131    HB3  LEU  15           HB3      LEU  15   0.963   6.982  -7.674
  132    HG   LEU  15           HG       LEU  15   0.343   4.039  -7.611
  133   HD11  LEU  15          HD11      LEU  15  -0.965   4.968  -5.692
  134   HD12  LEU  15          HD12      LEU  15  -1.667   6.177  -6.814
  135   HD13  LEU  15          HD13      LEU  15  -1.987   4.440  -7.032
  136   HD21  LEU  15          HD21      LEU  15  -0.812   6.394  -9.096
  137   HD22  LEU  15          HD22      LEU  15   0.419   5.254  -9.706
  138   HD23  LEU  15          HD23      LEU  15  -1.214   4.668  -9.253
  139    H    GLU  16           H        GLU  16   2.746   5.250  -4.734
  140    HA   GLU  16           HA       GLU  16   3.480   2.409  -5.049
  141    HB2  GLU  16           HB2      GLU  16   4.066   4.465  -2.901
  142    HB3  GLU  16           HB3      GLU  16   4.177   2.720  -2.564
  143    HG2  GLU  16           HG2      GLU  16   5.696   2.404  -4.460
  144    HG3  GLU  16           HG3      GLU  16   5.656   4.140  -4.815
  145    H    VAL  17           H        VAL  17   2.321   0.901  -4.299
  146    HA   VAL  17           HA       VAL  17  -0.229   1.304  -2.836
  147    HB   VAL  17           HB       VAL  17  -1.502   0.245  -4.655
  148   HG11  VAL  17          HG11      VAL  17  -1.344   2.700  -4.694
  149   HG12  VAL  17          HG12      VAL  17   0.035   2.580  -5.821
  150   HG13  VAL  17          HG13      VAL  17  -1.561   1.990  -6.306
  151   HG21  VAL  17          HG21      VAL  17  -0.502  -0.141  -6.883
  152   HG22  VAL  17          HG22      VAL  17   1.103   0.287  -6.260
  153   HG23  VAL  17          HG23      VAL  17   0.240  -1.155  -5.669
  154    H    GLU  18           H        GLU  18  -1.308  -1.142  -3.251
  155    HA   GLU  18           HA       GLU  18   0.701  -3.263  -2.881
  156    HB2  GLU  18           HB2      GLU  18  -1.798  -2.938  -1.145
  157    HB3  GLU  18           HB3      GLU  18  -0.676  -4.289  -1.101
  158    HG2  GLU  18           HG2      GLU  18  -0.138  -1.416  -0.271
  159    HG3  GLU  18           HG3      GLU  18  -0.339  -2.803   0.793
  160    HA   PRO  19           HA       PRO  19  -2.133  -4.999  -5.892
  161    HB2  PRO  19           HB2      PRO  19  -2.279  -7.571  -4.383
  162    HB3  PRO  19           HB3      PRO  19  -1.821  -7.266  -6.095
  163    HG2  PRO  19           HG2      PRO  19   0.021  -7.878  -4.144
  164    HG3  PRO  19           HG3      PRO  19   0.382  -6.816  -5.533
  165    HD2  PRO  19           HD2      PRO  19  -0.173  -6.047  -2.688
  166    HD3  PRO  19           HD3      PRO  19   0.900  -5.273  -3.894
  167    H    SER  20           H        SER  20  -2.882  -5.313  -2.405
  168    HA   SER  20           HA       SER  20  -5.764  -5.693  -2.971
  169    HB2  SER  20           HB2      SER  20  -4.271  -5.802  -0.319
  170    HB3  SER  20           HB3      SER  20  -5.928  -6.350  -0.655
  171    HG   SER  20           HG       SER  20  -4.429  -8.109  -0.628
  172    H    ASP  21           H        ASP  21  -3.870  -3.122  -3.143
  173    HA   ASP  21           HA       ASP  21  -5.291  -1.440  -1.323
  174    HB2  ASP  21           HB2      ASP  21  -2.993  -0.907  -2.274
  175    HB3  ASP  21           HB3      ASP  21  -3.807  -0.552  -3.817
  176    H    THR  22           H        THR  22  -7.161  -0.277  -1.848
  177    HA   THR  22           HA       THR  22  -8.734  -1.391  -3.982
  178    HB   THR  22           HB       THR  22 -10.472   0.321  -3.186
  179    HG1  THR  22           HG1      THR  22 -10.039   1.014  -0.971
  180   HG21  THR  22          HG21      THR  22  -9.526  -1.881  -1.337
  181   HG22  THR  22          HG22      THR  22 -11.127  -1.087  -1.305
  182   HG23  THR  22          HG23      THR  22 -10.644  -2.006  -2.731
  183    H    ILE  23           H        ILE  23  -9.554  -0.415  -5.716
  184    HA   ILE  23           HA       ILE  23  -8.260   1.615  -7.130
  185    HB   ILE  23           HB       ILE  23 -11.209   0.983  -7.061
  186   HG12  ILE  23          HG12      ILE  23 -10.466  -1.066  -7.690
  187   HG13  ILE  23          HG13      ILE  23 -10.455  -0.267  -9.268
  188   HG21  ILE  23          HG21      ILE  23 -10.788   3.085  -8.274
  189   HG22  ILE  23          HG22      ILE  23  -9.577   2.268  -9.274
  190   HG23  ILE  23          HG23      ILE  23 -11.296   1.827  -9.393
  191   HD11  ILE  23          HD11      ILE  23  -8.490  -1.610  -9.057
  192   HD12  ILE  23          HD12      ILE  23  -7.998   0.100  -9.036
  193   HD13  ILE  23          HD13      ILE  23  -8.047  -0.860  -7.532
  194    H    GLU  24           H        GLU  24 -10.988   2.106  -4.721
  195    HA   GLU  24           HA       GLU  24 -11.225   4.858  -5.142
  196    HB2  GLU  24           HB2      GLU  24 -12.674   3.384  -3.655
  197    HB3  GLU  24           HB3      GLU  24 -11.403   3.444  -2.435
  198    HG2  GLU  24           HG2      GLU  24 -11.640   5.909  -2.303
  199    HG3  GLU  24           HG3      GLU  24 -12.841   5.874  -3.596
  200    H    ASN  25           H        ASN  25  -8.919   3.130  -3.027
  201    HA   ASN  25           HA       ASN  25  -7.870   5.618  -1.921
  202    HB2  ASN  25           HB2      ASN  25  -7.919   3.465  -0.666
  203    HB3  ASN  25           HB3      ASN  25  -6.757   2.803  -1.819
  204   HD21  ASN  25          HD22      ASN  25  -4.965   2.557  -0.537
  205   HD22  ASN  25          HD21      ASN  25  -4.238   3.825   0.459
  206    H    VAL  26           H        VAL  26  -6.992   3.398  -4.564
  207    HA   VAL  26           HA       VAL  26  -4.459   4.557  -5.223
  208    HB   VAL  26           HB       VAL  26  -6.631   3.000  -6.644
  209   HG11  VAL  26          HG11      VAL  26  -5.620   4.311  -8.384
  210   HG12  VAL  26          HG12      VAL  26  -3.982   3.816  -7.880
  211   HG13  VAL  26          HG13      VAL  26  -5.123   2.611  -8.534
  212   HG21  VAL  26          HG21      VAL  26  -3.806   2.116  -5.998
  213   HG22  VAL  26          HG22      VAL  26  -5.147   1.888  -4.878
  214   HG23  VAL  26          HG23      VAL  26  -5.208   1.112  -6.448
  215    H    LYS  27           H        LYS  27  -7.830   5.215  -6.517
  216    HA   LYS  27           HA       LYS  27  -7.076   7.442  -8.065
  217    HB2  LYS  27           HB2      LYS  27  -9.645   6.987  -6.447
  218    HB3  LYS  27           HB3      LYS  27  -9.440   8.297  -7.598
  219    HG2  LYS  27           HG2      LYS  27  -9.223   6.560  -9.439
  220    HG3  LYS  27           HG3      LYS  27  -9.669   5.341  -8.223
  221    HD2  LYS  27           HD2      LYS  27 -11.666   6.919  -7.658
  222    HD3  LYS  27           HD3      LYS  27 -11.266   7.759  -9.170
  223    HE2  LYS  27           HE2      LYS  27 -11.718   5.729 -10.442
  224    HE3  LYS  27           HE3      LYS  27 -12.013   4.830  -8.935
  225    HZ1  LYS  27           HZ1      LYS  27 -13.614   7.236  -9.687
  226    HZ2  LYS  27           HZ2      LYS  27 -14.098   5.689 -10.020
  227    HZ3  LYS  27           HZ3      LYS  27 -13.924   6.138  -8.467
  228    H    ALA  28           H        ALA  28  -7.723   7.300  -4.507
  229    HA   ALA  28           HA       ALA  28  -7.671  10.156  -4.168
  230    HB1  ALA  28           HB1      ALA  28  -6.934   7.988  -2.154
  231    HB2  ALA  28           HB2      ALA  28  -7.325   9.679  -1.795
  232    HB3  ALA  28           HB3      ALA  28  -8.577   8.602  -2.461
  233    H    LYS  29           H        LYS  29  -5.055   7.678  -4.297
  234    HA   LYS  29           HA       LYS  29  -2.944   9.572  -3.615
  235    HB2  LYS  29           HB2      LYS  29  -2.939   6.953  -5.138
  236    HB3  LYS  29           HB3      LYS  29  -1.485   7.895  -4.744
  237    HG2  LYS  29           HG2      LYS  29  -1.869   7.675  -2.367
  238    HG3  LYS  29           HG3      LYS  29  -3.472   6.957  -2.635
  239    HD2  LYS  29           HD2      LYS  29  -2.495   4.986  -3.670
  240    HD3  LYS  29           HD3      LYS  29  -0.855   5.668  -3.539
  241    HE2  LYS  29           HE2      LYS  29  -2.378   5.648  -0.992
  242    HE3  LYS  29           HE3      LYS  29  -2.137   4.024  -1.666
  243    HZ1  LYS  29           HZ1      LYS  29   0.048   5.961  -1.075
  244    HZ2  LYS  29           HZ2      LYS  29  -0.305   4.618  -0.212
  245    HZ3  LYS  29           HZ3      LYS  29   0.265   4.471  -1.748
  246    H    ILE  30           H        ILE  30  -4.644   8.598  -6.633
  247    HA   ILE  30           HA       ILE  30  -2.969  10.233  -8.299
  248    HB   ILE  30           HB       ILE  30  -5.898   9.791  -8.853
  249   HG12  ILE  30          HG12      ILE  30  -5.152   7.592  -8.565
  250   HG13  ILE  30          HG13      ILE  30  -5.236   7.866 -10.287
  251   HG21  ILE  30          HG21      ILE  30  -4.638   9.839 -11.275
  252   HG22  ILE  30          HG22      ILE  30  -5.216  11.294 -10.445
  253   HG23  ILE  30          HG23      ILE  30  -3.503  10.815 -10.350
  254   HD11  ILE  30          HD11      ILE  30  -2.702   8.015  -8.605
  255   HD12  ILE  30          HD12      ILE  30  -3.335   6.576  -9.424
  256   HD13  ILE  30          HD13      ILE  30  -2.822   8.020 -10.386
  257    H    GLN  31           H        GLN  31  -5.859  11.048  -6.406
  258    HA   GLN  31           HA       GLN  31  -6.075  13.744  -7.245
  259    HB2  GLN  31           HB2      GLN  31  -7.739  12.545  -5.808
  260    HB3  GLN  31           HB3      GLN  31  -6.597  12.687  -4.472
  261    HG2  GLN  31           HG2      GLN  31  -6.840  15.339  -5.276
  262    HG3  GLN  31           HG3      GLN  31  -8.452  14.724  -5.565
  263   HE21  GLN  31          HE22      GLN  31  -9.760  14.071  -3.711
  264   HE22  GLN  31          HE21      GLN  31  -9.217  14.341  -2.078
  265    H    ASP  32           H        ASP  32  -3.929  12.208  -4.830
  266    HA   ASP  32           HA       ASP  32  -2.754  14.644  -3.916
  267    HB2  ASP  32           HB2      ASP  32  -2.535  12.536  -2.706
  268    HB3  ASP  32           HB3      ASP  32  -1.562  11.859  -4.001
  269    H    LYS  33           H        LYS  33  -2.116  12.594  -6.801
  270    HA   LYS  33           HA       LYS  33   0.325  14.079  -7.434
  271    HB2  LYS  33           HB2      LYS  33  -1.165  11.802  -8.751
  272    HB3  LYS  33           HB3      LYS  33   0.400  12.429  -9.263
  273    HG2  LYS  33           HG2      LYS  33  -0.011  11.478  -6.378
  274    HG3  LYS  33           HG3      LYS  33   0.236  10.326  -7.655
  275    HD2  LYS  33           HD2      LYS  33   2.376  11.662  -8.309
  276    HD3  LYS  33           HD3      LYS  33   2.152  12.511  -6.755
  277    HE2  LYS  33           HE2      LYS  33   2.131  10.214  -5.645
  278    HE3  LYS  33           HE3      LYS  33   2.498   9.509  -7.226
  279    HZ1  LYS  33           HZ1      LYS  33   4.237  11.435  -5.759
  280    HZ2  LYS  33           HZ2      LYS  33   4.508   9.839  -5.895
  281    HZ3  LYS  33           HZ3      LYS  33   4.593  10.784  -7.226
  282    H    GLU  34           H        GLU  34  -2.939  13.887  -8.646
  283    HA   GLU  34           HA       GLU  34  -2.356  15.489 -11.052
  284    HB2  GLU  34           HB2      GLU  34  -4.430  13.411 -10.270
  285    HB3  GLU  34           HB3      GLU  34  -4.800  14.541 -11.543
  286    HG2  GLU  34           HG2      GLU  34  -2.297  12.848 -11.596
  287    HG3  GLU  34           HG3      GLU  34  -3.847  12.313 -12.252
  288    H    GLY  35           H        GLY  35  -4.454  15.262  -8.208
  289    HA2  GLY  35           HA2      GLY  35  -5.319  17.094  -7.037
  290    HA3  GLY  35           HA3      GLY  35  -5.252  18.090  -8.494
  291    H    ILE  36           H        ILE  36  -6.620  14.849  -8.892
  292    HA   ILE  36           HA       ILE  36  -9.224  16.189  -9.401
  293    HB   ILE  36           HB       ILE  36  -8.021  13.600 -10.412
  294   HG12  ILE  36          HG12      ILE  36  -8.424  16.245 -11.932
  295   HG13  ILE  36          HG13      ILE  36  -6.879  15.767 -11.237
  296   HG21  ILE  36          HG21      ILE  36  -9.919  13.525 -11.966
  297   HG22  ILE  36          HG22      ILE  36 -10.588  13.738 -10.351
  298   HG23  ILE  36          HG23      ILE  36 -10.467  15.134 -11.432
  299   HD11  ILE  36          HD11      ILE  36  -8.391  14.262 -13.368
  300   HD12  ILE  36          HD12      ILE  36  -6.853  15.144 -13.524
  301   HD13  ILE  36          HD13      ILE  36  -6.933  13.674 -12.519
  302    HA   PRO  37           HA       PRO  37 -10.505  13.736  -5.845
  303    HB2  PRO  37           HB2      PRO  37 -13.287  14.145  -6.117
  304    HB3  PRO  37           HB3      PRO  37 -12.120  15.171  -5.218
  305    HG2  PRO  37           HG2      PRO  37 -13.426  15.666  -7.830
  306    HG3  PRO  37           HG3      PRO  37 -12.673  16.818  -6.691
  307    HD2  PRO  37           HD2      PRO  37 -11.529  15.789  -9.116
  308    HD3  PRO  37           HD3      PRO  37 -10.718  16.784  -7.870
  309    HA   PRO  38           HA       PRO  38 -11.214   9.878  -7.664
  310    HB2  PRO  38           HB2      PRO  38 -12.604   8.466  -5.763
  311    HB3  PRO  38           HB3      PRO  38 -10.840   8.795  -5.695
  312    HG2  PRO  38           HG2      PRO  38 -13.066  10.247  -4.259
  313    HG3  PRO  38           HG3      PRO  38 -11.464   9.769  -3.624
  314    HD2  PRO  38           HD2      PRO  38 -11.948  12.304  -4.474
  315    HD3  PRO  38           HD3      PRO  38 -10.375  11.510  -4.793
  316    H    ASP  39           H        ASP  39 -14.164  11.334  -6.282
  317    HA   ASP  39           HA       ASP  39 -15.840   9.458  -7.617
  318    HB2  ASP  39           HB2      ASP  39 -17.681  10.707  -6.892
  319    HB3  ASP  39           HB3      ASP  39 -16.474  11.035  -5.655
  320    H    GLN  40           H        GLN  40 -14.143  12.252  -8.677
  321    HA   GLN  40           HA       GLN  40 -15.775  12.570 -11.158
  322    HB2  GLN  40           HB2      GLN  40 -15.420  14.603 -10.030
  323    HB3  GLN  40           HB3      GLN  40 -13.756  14.201  -9.580
  324    HG2  GLN  40           HG2      GLN  40 -12.943  14.622 -11.777
  325    HG3  GLN  40           HG3      GLN  40 -14.569  14.845 -12.424
  326   HE21  GLN  40          HE22      GLN  40 -15.833  16.801 -11.546
  327   HE22  GLN  40          HE21      GLN  40 -14.914  18.204 -11.026
  328    H    GLN  41           H        GLN  41 -13.194  10.644 -10.208
  329    HA   GLN  41           HA       GLN  41 -11.600  10.968 -12.715
  330    HB2  GLN  41           HB2      GLN  41 -10.733  11.541 -10.385
  331    HB3  GLN  41           HB3      GLN  41 -11.050   9.889  -9.909
  332    HG2  GLN  41           HG2      GLN  41  -9.356   9.285 -11.811
  333    HG3  GLN  41           HG3      GLN  41  -8.886  10.995 -11.701
  334   HE21  GLN  41          HE22      GLN  41  -8.803  11.618  -8.938
  335   HE22  GLN  41          HE21      GLN  41  -7.866  10.408  -8.104
  336    H    ARG  42           H        ARG  42 -11.450   8.996 -14.021
  337    HA   ARG  42           HA       ARG  42 -12.630   6.567 -12.709
  338    HB2  ARG  42           HB2      ARG  42 -13.317   7.721 -15.240
  339    HB3  ARG  42           HB3      ARG  42 -12.477   6.155 -15.543
  340    HG2  ARG  42           HG2      ARG  42 -14.025   4.899 -14.515
  341    HG3  ARG  42           HG3      ARG  42 -14.629   6.233 -13.474
  342    HD2  ARG  42           HD2      ARG  42 -15.674   7.238 -15.547
  343    HD3  ARG  42           HD3      ARG  42 -15.179   5.799 -16.440
  344    HE   ARG  42           HE       ARG  42 -16.636   5.084 -14.040
  345   HH11  ARG  42          HH11      ARG  42 -17.215   6.250 -17.352
  346   HH12  ARG  42          HH12      ARG  42 -18.854   5.656 -17.414
  347   HH21  ARG  42          HH21      ARG  42 -18.818   4.306 -14.154
  348   HH22  ARG  42          HH22      ARG  42 -19.761   4.592 -15.573
  349    H    LEU  43           H        LEU  43 -11.650   4.540 -13.281
  350    HA   LEU  43           HA       LEU  43  -8.780   4.798 -14.013
  351    HB2  LEU  43           HB2      LEU  43  -9.780   4.192 -11.409
  352    HB3  LEU  43           HB3      LEU  43  -9.421   2.617 -12.115
  353    HG   LEU  43           HG       LEU  43  -7.122   3.311 -12.604
  354   HD11  LEU  43          HD11      LEU  43  -6.301   5.495 -11.463
  355   HD12  LEU  43          HD12      LEU  43  -7.245   5.727 -12.937
  356   HD13  LEU  43          HD13      LEU  43  -8.009   5.984 -11.363
  357   HD21  LEU  43          HD21      LEU  43  -6.352   3.433 -10.272
  358   HD22  LEU  43          HD22      LEU  43  -7.954   3.920  -9.701
  359   HD23  LEU  43          HD23      LEU  43  -7.686   2.287 -10.391
  360    H    ILE  44           H        ILE  44  -8.331   3.607 -15.618
  361    HA   ILE  44           HA       ILE  44  -9.932   1.148 -16.249
  362    HB   ILE  44           HB       ILE  44  -8.736   3.250 -18.127
  363   HG12  ILE  44          HG12      ILE  44 -11.625   2.228 -17.903
  364   HG13  ILE  44          HG13      ILE  44 -11.049   3.535 -16.889
  365   HG21  ILE  44          HG21      ILE  44  -8.329   1.075 -19.212
  366   HG22  ILE  44          HG22      ILE  44 -10.074   0.665 -19.024
  367   HG23  ILE  44          HG23      ILE  44  -9.552   2.023 -20.032
  368   HD11  ILE  44          HD11      ILE  44 -12.001   4.714 -18.467
  369   HD12  ILE  44          HD12      ILE  44 -10.356   4.670 -19.122
  370   HD13  ILE  44          HD13      ILE  44 -11.586   3.579 -19.804
  371    H    PHE  45           H        PHE  45  -8.746  -0.616 -17.127
  372    HA   PHE  45           HA       PHE  45  -5.779  -0.431 -16.940
  373    HB2  PHE  45           HB2      PHE  45  -6.449  -1.321 -14.771
  374    HB3  PHE  45           HB3      PHE  45  -7.607  -2.413 -15.533
  375    HD1  PHE  45           HD1      PHE  45  -3.967  -1.638 -16.072
  376    HD2  PHE  45           HD2      PHE  45  -6.982  -4.653 -15.502
  377    HE1  PHE  45           HE1      PHE  45  -2.218  -3.398 -16.175
  378    HE2  PHE  45           HE2      PHE  45  -5.233  -6.412 -15.494
  379    HZ   PHE  45           HZ       PHE  45  -2.864  -5.798 -15.820
  380    H    ALA  46           H        ALA  46  -5.164  -1.094 -18.939
  381    HA   ALA  46           HA       ALA  46  -5.120  -2.179 -20.921
  382    HB1  ALA  46           HB1      ALA  46  -4.880  -4.633 -20.575
  383    HB2  ALA  46           HB2      ALA  46  -4.115  -3.716 -19.255
  384    HB3  ALA  46           HB3      ALA  46  -5.706  -4.468 -19.000
  385    H    GLY  47           H        GLY  47  -7.536  -1.057 -20.662
  386    HA2  GLY  47           HA2      GLY  47  -9.250  -0.853 -22.180
  387    HA3  GLY  47           HA3      GLY  47  -9.009  -2.517 -22.734
  388    H    LYS  48           H        LYS  48  -9.364  -2.136 -19.257
  389    HA   LYS  48           HA       LYS  48 -12.307  -2.368 -19.436
  390    HB2  LYS  48           HB2      LYS  48 -12.477  -4.260 -18.060
  391    HB3  LYS  48           HB3      LYS  48 -11.311  -4.643 -19.327
  392    HG2  LYS  48           HG2      LYS  48  -9.458  -4.289 -17.673
  393    HG3  LYS  48           HG3      LYS  48 -10.656  -3.940 -16.428
  394    HD2  LYS  48           HD2      LYS  48  -9.862  -6.212 -16.192
  395    HD3  LYS  48           HD3      LYS  48 -11.567  -6.192 -16.601
  396    HE2  LYS  48           HE2      LYS  48 -10.515  -7.980 -17.817
  397    HE3  LYS  48           HE3      LYS  48 -11.039  -6.756 -18.967
  398    HZ1  LYS  48           HZ1      LYS  48  -8.811  -7.586 -19.456
  399    HZ2  LYS  48           HZ2      LYS  48  -8.717  -5.993 -19.110
  400    HZ3  LYS  48           HZ3      LYS  48  -8.246  -7.116 -18.001
  401    H    GLN  49           H        GLN  49 -13.337  -1.205 -17.950
  402    HA   GLN  49           HA       GLN  49 -11.933   0.745 -16.324
  403    HB2  GLN  49           HB2      GLN  49 -14.149   0.968 -17.532
  404    HB3  GLN  49           HB3      GLN  49 -14.849  -0.145 -16.346
  405    HG2  GLN  49           HG2      GLN  49 -14.449   1.472 -14.550
  406    HG3  GLN  49           HG3      GLN  49 -13.601   2.543 -15.682
  407   HE21  GLN  49          HE22      GLN  49 -16.824   1.244 -14.757
  408   HE22  GLN  49          HE21      GLN  49 -17.726   2.317 -15.803
  409    H    LEU  50           H        LEU  50 -11.899   0.854 -14.048
  410    HA   LEU  50           HA       LEU  50 -12.444  -1.696 -12.584
  411    HB2  LEU  50           HB2      LEU  50 -10.650   0.495 -11.546
  412    HB3  LEU  50           HB3      LEU  50 -10.716  -1.211 -11.116
  413    HG   LEU  50           HG       LEU  50  -9.473   0.033 -13.567
  414   HD11  LEU  50          HD11      LEU  50  -8.207  -1.613 -11.358
  415   HD12  LEU  50          HD12      LEU  50  -7.383  -0.789 -12.698
  416   HD13  LEU  50          HD13      LEU  50  -8.191   0.173 -11.453
  417   HD21  LEU  50          HD21      LEU  50 -10.427  -2.723 -13.235
  418   HD22  LEU  50          HD22      LEU  50  -9.855  -1.893 -14.678
  419   HD23  LEU  50          HD23      LEU  50  -8.703  -2.665 -13.573
  420    H    GLU  51           H        GLU  51 -13.414  -1.342 -10.346
  421    HA   GLU  51           HA       GLU  51 -14.744   1.317 -10.186
  422    HB2  GLU  51           HB2      GLU  51 -16.729   0.387  -9.332
  423    HB3  GLU  51           HB3      GLU  51 -16.336  -0.446 -10.839
  424    HG2  GLU  51           HG2      GLU  51 -15.438  -2.345  -9.524
  425    HG3  GLU  51           HG3      GLU  51 -15.897  -1.489  -8.031
  426    H    ASP  52           H        ASP  52 -15.277   2.055  -8.038
  427    HA   ASP  52           HA       ASP  52 -12.857   2.381  -6.673
  428    HB2  ASP  52           HB2      ASP  52 -15.730   3.065  -6.011
  429    HB3  ASP  52           HB3      ASP  52 -14.442   3.401  -4.870
  430    H    GLY  53           H        GLY  53 -15.518   0.172  -5.989
  431    HA2  GLY  53           HA2      GLY  53 -14.576  -0.539  -3.348
  432    HA3  GLY  53           HA3      GLY  53 -15.921  -1.255  -4.258
  433    H    ARG  54           H        ARG  54 -12.970  -1.259  -6.041
  434    HA   ARG  54           HA       ARG  54 -12.521  -4.163  -5.436
  435    HB2  ARG  54           HB2      ARG  54 -12.459  -2.601  -8.027
  436    HB3  ARG  54           HB3      ARG  54 -11.924  -4.294  -7.870
  437    HG2  ARG  54           HG2      ARG  54 -14.726  -3.201  -7.461
  438    HG3  ARG  54           HG3      ARG  54 -14.166  -4.165  -8.835
  439    HD2  ARG  54           HD2      ARG  54 -13.775  -6.045  -7.195
  440    HD3  ARG  54           HD3      ARG  54 -14.547  -5.037  -5.965
  441    HE   ARG  54           HE       ARG  54 -16.613  -5.374  -6.886
  442   HH11  ARG  54          HH11      ARG  54 -14.170  -6.783  -9.090
  443   HH12  ARG  54          HH12      ARG  54 -15.353  -7.545 -10.100
  444   HH21  ARG  54          HH21      ARG  54 -18.161  -6.413  -8.229
  445   HH22  ARG  54          HH22      ARG  54 -17.659  -7.342  -9.589
  446    H    THR  55           H        THR  55 -10.224  -4.777  -6.492
  447    HA   THR  55           HA       THR  55  -8.289  -2.731  -5.497
  448    HB   THR  55           HB       THR  55  -7.092  -4.684  -4.550
  449    HG1  THR  55           HG1      THR  55  -7.910  -6.655  -4.715
  450   HG21  THR  55          HG21      THR  55  -9.853  -4.232  -3.343
  451   HG22  THR  55          HG22      THR  55  -8.486  -5.038  -2.529
  452   HG23  THR  55          HG23      THR  55  -8.342  -3.344  -3.003
  453    H    LEU  56           H        LEU  56  -6.057  -3.395  -6.080
  454    HA   LEU  56           HA       LEU  56  -6.001  -3.610  -8.972
  455    HB2  LEU  56           HB2      LEU  56  -3.654  -3.995  -7.066
  456    HB3  LEU  56           HB3      LEU  56  -3.562  -3.541  -8.743
  457    HG   LEU  56           HG       LEU  56  -4.692  -1.864  -6.475
  458   HD11  LEU  56          HD11      LEU  56  -2.218  -1.547  -8.223
  459   HD12  LEU  56          HD12      LEU  56  -2.822  -0.370  -7.016
  460   HD13  LEU  56          HD13      LEU  56  -2.275  -1.972  -6.498
  461   HD21  LEU  56          HD21      LEU  56  -4.482  -1.288  -9.491
  462   HD22  LEU  56          HD22      LEU  56  -5.969  -1.395  -8.517
  463   HD23  LEU  56          HD23      LEU  56  -4.841  -0.061  -8.272
  464    H    SER  57           H        SER  57  -5.396  -5.900  -6.362
  465    HA   SER  57           HA       SER  57  -4.739  -8.190  -7.855
  466    HB2  SER  57           HB2      SER  57  -5.666  -9.330  -5.786
  467    HB3  SER  57           HB3      SER  57  -4.361  -8.152  -5.533
  468    HG   SER  57           HG       SER  57  -6.134  -7.967  -4.029
  469    H    ASP  58           H        ASP  58  -7.969  -6.722  -7.187
  470    HA   ASP  58           HA       ASP  58  -9.503  -9.029  -7.943
  471    HB2  ASP  58           HB2      ASP  58 -10.397  -7.092  -6.685
  472    HB3  ASP  58           HB3      ASP  58 -10.227  -6.100  -8.135
  473    H    TYR  59           H        TYR  59  -7.585  -6.805  -9.663
  474    HA   TYR  59           HA       TYR  59  -8.689  -7.627 -12.314
  475    HB2  TYR  59           HB2      TYR  59  -7.348  -5.065 -11.457
  476    HB3  TYR  59           HB3      TYR  59  -7.767  -5.457 -13.132
  477    HD1  TYR  59           HD2      TYR  59 -10.280  -6.111 -13.573
  478    HD2  TYR  59           HD1      TYR  59  -8.943  -3.886 -10.111
  479    HE1  TYR  59           HE2      TYR  59 -12.580  -5.270 -13.223
  480    HE2  TYR  59           HE1      TYR  59 -11.226  -3.115  -9.725
  481    HH   TYR  59           HH       TYR  59 -13.992  -3.970 -11.857
  482    H    ASN  60           H        ASN  60  -6.403  -8.538 -10.292
  483    HA   ASN  60           HA       ASN  60  -4.512  -9.685 -10.381
  484    HB2  ASN  60           HB2      ASN  60  -5.325 -10.182 -13.264
  485    HB3  ASN  60           HB3      ASN  60  -3.975 -10.982 -12.482
  486   HD21  ASN  60          HD22      ASN  60  -7.417 -11.111 -12.874
  487   HD22  ASN  60          HD21      ASN  60  -7.700 -12.366 -11.696
  488    H    ILE  61           H        ILE  61  -4.478  -6.772 -11.043
  489    HA   ILE  61           HA       ILE  61  -2.068  -6.205 -12.556
  490    HB   ILE  61           HB       ILE  61  -3.678  -4.825 -10.397
  491   HG12  ILE  61          HG12      ILE  61  -3.543  -3.916 -13.273
  492   HG13  ILE  61          HG13      ILE  61  -4.664  -5.189 -12.805
  493   HG21  ILE  61          HG21      ILE  61  -1.401  -3.883 -10.302
  494   HG22  ILE  61          HG22      ILE  61  -1.417  -3.632 -12.068
  495   HG23  ILE  61          HG23      ILE  61  -2.477  -2.688 -11.005
  496   HD11  ILE  61          HD11      ILE  61  -5.786  -3.039 -12.757
  497   HD12  ILE  61          HD12      ILE  61  -5.694  -3.721 -11.123
  498   HD13  ILE  61          HD13      ILE  61  -4.603  -2.421 -11.579
  499    H    GLN  62           H        GLN  62   0.011  -5.993 -11.686
  500    HA   GLN  62           HA       GLN  62   0.478  -6.786  -8.852
  501    HB2  GLN  62           HB2      GLN  62   2.130  -7.606 -11.297
  502    HB3  GLN  62           HB3      GLN  62   2.444  -8.047  -9.607
  503    HG2  GLN  62           HG2      GLN  62   0.295  -9.304  -9.543
  504    HG3  GLN  62           HG3      GLN  62   0.011  -8.881 -11.234
  505   HE21  GLN  62          HE22      GLN  62   0.490 -10.548 -12.627
  506   HE22  GLN  62          HE21      GLN  62   1.765 -11.719 -12.385
  507    H    LYS  63           H        LYS  63   3.158  -6.204  -8.708
  508    HA   LYS  63           HA       LYS  63   3.383  -3.414  -8.751
  509    HB2  LYS  63           HB2      LYS  63   5.682  -3.823  -8.155
  510    HB3  LYS  63           HB3      LYS  63   4.737  -5.135  -7.409
  511    HG2  LYS  63           HG2      LYS  63   5.410  -6.549  -9.431
  512    HG3  LYS  63           HG3      LYS  63   6.532  -5.235  -9.848
  513    HD2  LYS  63           HD2      LYS  63   7.510  -5.440  -7.504
  514    HD3  LYS  63           HD3      LYS  63   6.474  -6.873  -7.268
  515    HE2  LYS  63           HE2      LYS  63   7.569  -7.901  -9.295
  516    HE3  LYS  63           HE3      LYS  63   8.628  -6.489  -9.402
  517    HZ1  LYS  63           HZ1      LYS  63   9.705  -8.326  -8.248
  518    HZ2  LYS  63           HZ2      LYS  63   9.530  -7.080  -7.223
  519    HZ3  LYS  63           HZ3      LYS  63   8.539  -8.382  -7.111
  520    H    GLU  64           H        GLU  64   4.801  -2.150  -9.879
  521    HA   GLU  64           HA       GLU  64   5.389  -1.081 -11.720
  522    HB2  GLU  64           HB2      GLU  64   7.061  -3.612 -12.036
  523    HB3  GLU  64           HB3      GLU  64   7.351  -2.084 -12.909
  524    HG2  GLU  64           HG2      GLU  64   7.403  -0.936 -10.661
  525    HG3  GLU  64           HG3      GLU  64   7.466  -2.525  -9.897
  526    H    SER  65           H        SER  65   3.053  -1.715 -12.012
  527    HA   SER  65           HA       SER  65   2.701  -2.790 -14.816
  528    HB2  SER  65           HB2      SER  65   0.866  -3.206 -12.430
  529    HB3  SER  65           HB3      SER  65   0.460  -3.614 -14.098
  530    HG   SER  65           HG       SER  65   2.687  -4.680 -12.666
  531    H    THR  66           H        THR  66   0.969  -1.810 -15.980
  532    HA   THR  66           HA       THR  66   0.843   1.041 -15.250
  533    HB   THR  66           HB       THR  66   0.562  -0.256 -17.990
  534    HG1  THR  66           HG1      THR  66   2.707   0.173 -18.269
  535   HG21  THR  66          HG21      THR  66  -0.418   2.033 -18.002
  536   HG22  THR  66          HG22      THR  66   1.091   2.688 -17.322
  537   HG23  THR  66          HG23      THR  66   1.066   1.980 -18.942
  538    H    LEU  67           H        LEU  67  -0.984   2.198 -15.358
  539    HA   LEU  67           HA       LEU  67  -3.633   0.885 -15.730
  540    HB2  LEU  67           HB2      LEU  67  -2.354   1.889 -13.352
  541    HB3  LEU  67           HB3      LEU  67  -3.483   3.143 -13.872
  542    HG   LEU  67           HG       LEU  67  -5.294   1.466 -13.883
  543   HD11  LEU  67          HD11      LEU  67  -4.933  -0.668 -12.774
  544   HD12  LEU  67          HD12      LEU  67  -3.780  -0.572 -14.111
  545   HD13  LEU  67          HD13      LEU  67  -3.200  -0.294 -12.474
  546   HD21  LEU  67          HD21      LEU  67  -3.796   1.718 -11.244
  547   HD22  LEU  67          HD22      LEU  67  -4.830   2.971 -11.972
  548   HD23  LEU  67          HD23      LEU  67  -5.533   1.408 -11.459
  549    H    HIS  68           H        HIS  68  -5.332   2.745 -15.865
  550    HA   HIS  68           HA       HIS  68  -4.273   4.961 -17.607
  551    HB2  HIS  68           HB2      HIS  68  -6.442   2.946 -18.061
  552    HB3  HIS  68           HB3      HIS  68  -6.736   4.592 -18.598
  553    HD2  HIS  68           HD2      HIS  68  -5.715   5.346 -20.803
  554    HE1  HIS  68           HE1      HIS  68  -3.451   1.887 -21.778
  555    H    LEU  69           H        LEU  69  -4.977   7.051 -16.935
  556    HA   LEU  69           HA       LEU  69  -7.129   7.191 -14.857
  557    HB2  LEU  69           HB2      LEU  69  -4.644   8.333 -14.854
  558    HB3  LEU  69           HB3      LEU  69  -5.443   9.517 -15.883
  559    HG   LEU  69           HG       LEU  69  -5.114  10.046 -13.472
  560   HD11  LEU  69          HD11      LEU  69  -7.088  11.413 -13.367
  561   HD12  LEU  69          HD12      LEU  69  -6.469  11.389 -15.021
  562   HD13  LEU  69          HD13      LEU  69  -7.912  10.426 -14.594
  563   HD21  LEU  69          HD21      LEU  69  -7.626   8.363 -13.076
  564   HD22  LEU  69          HD22      LEU  69  -5.972   7.878 -12.596
  565   HD23  LEU  69          HD23      LEU  69  -6.713   9.311 -11.886
  566    H    VAL  70           H        VAL  70  -9.092   8.251 -15.520
  567    HA   VAL  70           HA       VAL  70  -8.948  10.130 -17.874
  568    HB   VAL  70           HB       VAL  70 -10.753   9.233 -18.973
  569   HG11  VAL  70          HG11      VAL  70  -8.772   7.573 -19.075
  570   HG12  VAL  70          HG12      VAL  70  -9.679   6.572 -17.966
  571   HG13  VAL  70          HG13      VAL  70 -10.376   6.969 -19.562
  572   HG21  VAL  70          HG21      VAL  70 -12.275   7.385 -18.152
  573   HG22  VAL  70          HG22      VAL  70 -11.374   7.531 -16.614
  574   HG23  VAL  70          HG23      VAL  70 -12.393   8.878 -17.216
  575    H    LEU  71           H        LEU  71 -10.846  11.503 -17.892
  576    HA   LEU  71           HA       LEU  71 -11.656  12.231 -15.123
  577    HB2  LEU  71           HB2      LEU  71 -10.372  13.819 -16.587
  578    HB3  LEU  71           HB3      LEU  71 -11.709  13.762 -17.736
  579    HG   LEU  71           HG       LEU  71 -11.366  15.758 -16.091
  580   HD11  LEU  71          HD11      LEU  71 -13.852  16.176 -16.161
  581   HD12  LEU  71          HD12      LEU  71 -13.109  15.738 -17.701
  582   HD13  LEU  71          HD13      LEU  71 -14.052  14.535 -16.841
  583   HD21  LEU  71          HD21      LEU  71 -12.571  15.697 -14.033
  584   HD22  LEU  71          HD22      LEU  71 -13.116  14.029 -14.296
  585   HD23  LEU  71          HD23      LEU  71 -11.402  14.372 -14.002
  586    H    ARG  72           H        ARG  72 -13.643  11.647 -14.685
  587    HA   ARG  72           HA       ARG  72 -15.612  11.353 -16.889
  588    HB2  ARG  72           HB2      ARG  72 -16.763   9.672 -15.738
  589    HB3  ARG  72           HB3      ARG  72 -15.051   9.250 -15.700
  590    HG2  ARG  72           HG2      ARG  72 -14.978   9.279 -13.393
  591    HG3  ARG  72           HG3      ARG  72 -15.953  10.746 -13.275
  592    HD2  ARG  72           HD2      ARG  72 -18.005   9.490 -13.724
  593    HD3  ARG  72           HD3      ARG  72 -17.067   7.980 -13.844
  594    HE   ARG  72           HE       ARG  72 -16.751   9.497 -11.343
  595   HH11  ARG  72          HH21      ARG  72 -19.023   7.243 -12.920
  596   HH12  ARG  72          HH22      ARG  72 -19.513   6.512 -11.436
  597   HH21  ARG  72          HH11      ARG  72 -17.458   8.584  -9.419
  598   HH22  ARG  72          HH12      ARG  72 -18.624   7.297  -9.390
  599    H    LEU  73           H        LEU  73 -14.793  13.710 -15.232
  600    HA   LEU  73           HA       LEU  73 -15.728  15.642 -14.599
  601    HB2  LEU  73           HB2      LEU  73 -18.394  14.633 -15.640
  602    HB3  LEU  73           HB3      LEU  73 -17.846  16.278 -15.395
  603    HG   LEU  73           HG       LEU  73 -16.044  15.759 -17.207
  604   HD11  LEU  73          HD11      LEU  73 -17.099  14.079 -18.957
  605   HD12  LEU  73          HD12      LEU  73 -16.079  13.450 -17.714
  606   HD13  LEU  73          HD13      LEU  73 -17.848  13.329 -17.551
  607   HD21  LEU  73          HD21      LEU  73 -19.009  16.063 -17.715
  608   HD22  LEU  73          HD22      LEU  73 -17.787  17.333 -17.525
  609   HD23  LEU  73          HD23      LEU  73 -17.764  16.308 -18.957
  610    H    ARG  74           H        ARG  74 -17.970  12.971 -13.499
  611    HA   ARG  74           HA       ARG  74 -18.264  14.293 -10.875
  612    HB2  ARG  74           HB2      ARG  74 -20.669  14.543 -11.194
  613    HB3  ARG  74           HB3      ARG  74 -19.804  15.384 -12.484
  614    HG2  ARG  74           HG2      ARG  74 -20.232  13.428 -14.009
  615    HG3  ARG  74           HG3      ARG  74 -21.231  12.697 -12.742
  616    HD2  ARG  74           HD2      ARG  74 -22.789  14.613 -12.837
  617    HD3  ARG  74           HD3      ARG  74 -21.712  15.446 -13.958
  618    HE   ARG  74           HE       ARG  74 -22.197  13.945 -15.689
  619   HH11  ARG  74          HH11      ARG  74 -24.113  13.037 -12.785
  620   HH12  ARG  74          HH12      ARG  74 -25.305  12.193 -13.714
  621   HH21  ARG  74          HH21      ARG  74 -23.695  12.773 -16.858
  622   HH22  ARG  74          HH22      ARG  74 -25.035  11.987 -16.076
  623    H    GLY  75           H        GLY  75 -19.805  12.917  -9.508
  624    HA2  GLY  75           HA2      GLY  75 -19.995  10.073 -10.342
  625    HA3  GLY  75           HA3      GLY  75 -19.221  10.514  -8.805
  626    H    GLY  76           H        GLY  76 -22.035  12.170 -10.293
  627    HA2  GLY  76           HA2      GLY  76 -24.107  10.877  -8.869
  628    HA3  GLY  76           HA3      GLY  76 -23.609  12.358  -8.016
  629    H1   GLY  -3           H1       GLY  -3 -12.285  24.256 -30.072
  630    H2   GLY  -3           H2       GLY  -3 -11.328  24.241 -28.740
  631    H3   GLY  -3           H3       GLY  -3 -12.204  25.581 -29.099
  632    HA2  GLY  -3           HA2      GLY  -3 -14.268  24.410 -28.733
  633    HA3  GLY  -3           HA3      GLY  -3 -13.328  22.964 -28.337
  634    H    HIS  -2           H        HIS  -2 -14.640  23.123 -26.304
  635    HA   HIS  -2           HA       HIS  -2 -13.301  24.823 -24.255
  636    HB2  HIS  -2           HB2      HIS  -2 -15.499  25.384 -23.326
  637    HB3  HIS  -2           HB3      HIS  -2 -15.330  25.974 -24.972
  638    HD2  HIS  -2           HD2      HIS  -2 -17.286  25.380 -26.608
  639    HE1  HIS  -2           HE1      HIS  -2 -19.115  22.214 -24.409
  640    H    MET  -1           H        MET  -1 -13.137  21.900 -25.041
  641    HA   MET  -1           HA       MET  -1 -13.311  20.751 -22.395
  642    HB2  MET  -1           HB2      MET  -1 -14.802  18.959 -22.892
  643    HB3  MET  -1           HB3      MET  -1 -15.664  20.432 -23.275
  644    HG2  MET  -1           HG2      MET  -1 -14.304  18.659 -25.344
  645    HG3  MET  -1           HG3      MET  -1 -15.987  18.537 -24.886
  646    HE1  MET  -1           HE1      MET  -1 -14.710  18.961 -27.901
  647    HE2  MET  -1           HE2      MET  -1 -16.422  18.606 -27.562
  648    HE3  MET  -1           HE3      MET  -1 -15.987  19.996 -28.577
  649    H    PHE 679           H        PHE 679 -12.438  18.351 -22.590
  650    HA   PHE 679           HA       PHE 679 -10.618  17.098 -23.057
  651    HB2  PHE 679           HB2      PHE 679 -12.004  16.218 -24.605
  652    HB3  PHE 679           HB3      PHE 679 -11.818  17.530 -25.764
  653    HD1  PHE 679           HD2      PHE 679 -10.443  14.443 -24.422
  654    HD2  PHE 679           HD1      PHE 679  -9.842  17.564 -27.304
  655    HE1  PHE 679           HE2      PHE 679  -8.985  12.910 -25.759
  656    HE2  PHE 679           HE1      PHE 679  -8.326  16.079 -28.603
  657    HZ   PHE 679           HZ       PHE 679  -7.905  13.746 -27.837
  658    HA   PRO 680           HA       PRO 680  -7.769  20.767 -23.580
  659    HB2  PRO 680           HB2      PRO 680  -6.915  20.809 -20.962
  660    HB3  PRO 680           HB3      PRO 680  -8.415  21.641 -21.485
  661    HG2  PRO 680           HG2      PRO 680  -8.159  18.822 -20.378
  662    HG3  PRO 680           HG3      PRO 680  -9.169  20.157 -19.712
  663    HD2  PRO 680           HD2      PRO 680 -10.197  18.326 -21.328
  664    HD3  PRO 680           HD3      PRO 680 -10.602  20.053 -21.596
  665    H    SER 681           H        SER 681  -5.341  20.538 -22.700
  666    HA   SER 681           HA       SER 681  -4.039  18.257 -23.541
  667    HB2  SER 681           HB2      SER 681  -3.092  20.076 -21.304
  668    HB3  SER 681           HB3      SER 681  -2.107  19.194 -22.484
  669    HG   SER 681           HG       SER 681  -2.329  21.411 -23.051
  670    H    ASP 682           H        ASP 682  -5.898  18.525 -20.618
  671    HA   ASP 682           HA       ASP 682  -4.747  16.516 -18.993
  672    HB2  ASP 682           HB2      ASP 682  -6.749  18.088 -18.535
  673    HB3  ASP 682           HB3      ASP 682  -7.713  16.875 -19.410
  674    H    ILE 683           H        ILE 683  -6.068  16.248 -22.133
  675    HA   ILE 683           HA       ILE 683  -6.177  13.325 -21.896
  676    HB   ILE 683           HB       ILE 683  -8.116  14.742 -23.647
  677   HG12  ILE 683          HG12      ILE 683  -8.648  15.849 -21.433
  678   HG13  ILE 683          HG13      ILE 683  -9.935  14.843 -22.080
  679   HG21  ILE 683          HG21      ILE 683  -9.406  12.773 -23.294
  680   HG22  ILE 683          HG22      ILE 683  -7.739  12.275 -23.610
  681   HG23  ILE 683          HG23      ILE 683  -8.372  12.326 -21.941
  682   HD11  ILE 683          HD11      ILE 683  -9.847  13.310 -20.447
  683   HD12  ILE 683          HD12      ILE 683  -8.207  13.703 -19.929
  684   HD13  ILE 683          HD13      ILE 683  -9.559  14.832 -19.609
  685    H    ASP 684           H        ASP 684  -5.546  12.333 -23.903
  686    HA   ASP 684           HA       ASP 684  -4.431  14.028 -26.072
  687    HB2  ASP 684           HB2      ASP 684  -2.640  13.697 -24.448
  688    HB3  ASP 684           HB3      ASP 684  -2.927  11.946 -24.447
  689    HA   PRO 685           HA       PRO 685  -6.567  10.953 -28.459
  690    HB2  PRO 685           HB2      PRO 685  -4.222  11.315 -30.330
  691    HB3  PRO 685           HB3      PRO 685  -5.964  11.174 -30.726
  692    HG2  PRO 685           HG2      PRO 685  -4.794  13.613 -30.604
  693    HG3  PRO 685           HG3      PRO 685  -6.411  13.360 -29.870
  694    HD2  PRO 685           HD2      PRO 685  -3.722  13.510 -28.501
  695    HD3  PRO 685           HD3      PRO 685  -5.317  14.152 -27.986
  696    H    GLN 686           H        GLN 686  -2.959  10.380 -28.079
  697    HA   GLN 686           HA       GLN 686  -3.114   7.744 -29.157
  698    HB2  GLN 686           HB2      GLN 686  -1.042   9.133 -28.931
  699    HB3  GLN 686           HB3      GLN 686  -1.072   8.858 -27.184
  700    HG2  GLN 686           HG2      GLN 686  -0.877   6.393 -27.596
  701    HG3  GLN 686           HG3      GLN 686  -0.836   6.700 -29.333
  702   HE21  GLN 686          HE22      GLN 686   1.182   7.298 -30.282
  703   HE22  GLN 686          HE21      GLN 686   2.643   7.523 -29.346
  704    H    VAL 687           H        VAL 687  -3.170   8.920 -25.744
  705    HA   VAL 687           HA       VAL 687  -3.413   6.277 -24.613
  706    HB   VAL 687           HB       VAL 687  -4.432   8.878 -23.361
  707   HG11  VAL 687          HG11      VAL 687  -3.366   6.225 -22.297
  708   HG12  VAL 687          HG12      VAL 687  -3.724   7.632 -21.263
  709   HG13  VAL 687          HG13      VAL 687  -5.006   6.840 -22.192
  710   HG21  VAL 687          HG21      VAL 687  -2.117   9.055 -22.343
  711   HG22  VAL 687          HG22      VAL 687  -1.562   7.937 -23.627
  712   HG23  VAL 687          HG23      VAL 687  -2.245   9.523 -24.035
  713    H    PHE 688           H        PHE 688  -5.689   8.764 -25.643
  714    HA   PHE 688           HA       PHE 688  -8.057   7.652 -24.590
  715    HB2  PHE 688           HB2      PHE 688  -7.541   9.917 -24.908
  716    HB3  PHE 688           HB3      PHE 688  -7.372   9.729 -26.653
  717    HD1  PHE 688           HD2      PHE 688 -10.101   9.178 -24.073
  718    HD2  PHE 688           HD1      PHE 688  -9.071  10.243 -28.126
  719    HE1  PHE 688           HE2      PHE 688 -12.503   9.640 -24.577
  720    HE2  PHE 688           HE1      PHE 688 -11.451  10.712 -28.600
  721    HZ   PHE 688           HZ       PHE 688 -13.165  10.419 -26.828
  722    H    TYR 689           H        TYR 689  -6.193   6.985 -27.515
  723    HA   TYR 689           HA       TYR 689  -8.302   5.336 -28.722
  724    HB2  TYR 689           HB2      TYR 689  -5.389   5.863 -29.365
  725    HB3  TYR 689           HB3      TYR 689  -6.436   4.827 -30.334
  726    HD1  TYR 689           HD1      TYR 689  -8.822   7.189 -29.717
  727    HD2  TYR 689           HD2      TYR 689  -4.931   6.937 -31.585
  728    HE1  TYR 689           HE1      TYR 689  -9.370   9.133 -31.113
  729    HE2  TYR 689           HE2      TYR 689  -5.490   8.878 -33.008
  730    HH   TYR 689           HH       TYR 689  -7.102  10.481 -33.564
  731    H    GLU 690           H        GLU 690  -5.413   4.863 -26.643
  732    HA   GLU 690           HA       GLU 690  -5.307   1.985 -26.770
  733    HB2  GLU 690           HB2      GLU 690  -3.677   3.742 -25.685
  734    HB3  GLU 690           HB3      GLU 690  -4.758   3.585 -24.293
  735    HG2  GLU 690           HG2      GLU 690  -2.880   2.095 -24.020
  736    HG3  GLU 690           HG3      GLU 690  -4.338   1.139 -24.248
  737    H    LEU 691           H        LEU 691  -7.324   4.290 -25.238
  738    HA   LEU 691           HA       LEU 691  -8.528   2.883 -23.185
  739    HB2  LEU 691           HB2      LEU 691  -8.468   5.440 -24.261
  740    HB3  LEU 691           HB3      LEU 691 -10.085   4.955 -24.732
  741    HG   LEU 691           HG       LEU 691 -10.683   4.709 -22.400
  742   HD11  LEU 691          HD11      LEU 691  -8.934   5.477 -20.645
  743   HD12  LEU 691          HD12      LEU 691  -8.637   3.892 -21.328
  744   HD13  LEU 691          HD13      LEU 691  -7.731   5.294 -21.931
  745   HD21  LEU 691          HD21      LEU 691 -10.613   6.989 -21.734
  746   HD22  LEU 691          HD22      LEU 691  -9.210   7.305 -22.805
  747   HD23  LEU 691          HD23      LEU 691 -10.809   6.914 -23.470
  748    HA   PRO 692           HA       PRO 692 -11.745   0.350 -25.166
  749    HB2  PRO 692           HB2      PRO 692 -13.774   0.467 -23.307
  750    HB3  PRO 692           HB3      PRO 692 -12.269  -0.467 -23.040
  751    HG2  PRO 692           HG2      PRO 692 -12.815   2.410 -22.171
  752    HG3  PRO 692           HG3      PRO 692 -12.312   1.027 -21.124
  753    HD2  PRO 692           HD2      PRO 692 -10.487   2.696 -22.060
  754    HD3  PRO 692           HD3      PRO 692 -10.162   0.962 -22.205
  755    H    GLU 693           H        GLU 693 -13.764   0.651 -26.300
  756    HA   GLU 693           HA       GLU 693 -14.213   3.296 -27.270
  757    HB2  GLU 693           HB2      GLU 693 -14.530   1.171 -28.534
  758    HB3  GLU 693           HB3      GLU 693 -15.881   0.746 -27.497
  759    HG2  GLU 693           HG2      GLU 693 -16.694   1.614 -29.620
  760    HG3  GLU 693           HG3      GLU 693 -17.174   2.676 -28.313
  761    H    ALA 694           H        ALA 694 -16.133   1.226 -25.036
  762    HA   ALA 694           HA       ALA 694 -18.339   2.992 -24.966
  763    HB1  ALA 694           HB1      ALA 694 -17.487   0.894 -22.937
  764    HB2  ALA 694           HB2      ALA 694 -19.100   1.633 -23.074
  765    HB3  ALA 694           HB3      ALA 694 -18.482   0.630 -24.400
  766    H    VAL 695           H        VAL 695 -15.471   2.823 -22.796
  767    HA   VAL 695           HA       VAL 695 -16.660   4.826 -21.043
  768    HB   VAL 695           HB       VAL 695 -13.696   4.203 -21.083
  769   HG11  VAL 695          HG11      VAL 695 -14.124   4.658 -18.570
  770   HG12  VAL 695          HG12      VAL 695 -14.292   6.060 -19.652
  771   HG13  VAL 695          HG13      VAL 695 -15.729   5.205 -19.037
  772   HG21  VAL 695          HG21      VAL 695 -14.898   1.992 -20.916
  773   HG22  VAL 695          HG22      VAL 695 -14.082   2.440 -19.425
  774   HG23  VAL 695          HG23      VAL 695 -15.843   2.649 -19.565
  775    H    GLN 696           H        GLN 696 -14.514   4.960 -23.935
  776    HA   GLN 696           HA       GLN 696 -14.014   7.770 -23.776
  777    HB2  GLN 696           HB2      GLN 696 -14.487   6.015 -26.236
  778    HB3  GLN 696           HB3      GLN 696 -13.983   7.689 -26.304
  779    HG2  GLN 696           HG2      GLN 696 -11.852   7.206 -25.355
  780    HG3  GLN 696           HG3      GLN 696 -12.327   5.601 -24.867
  781   HE21  GLN 696          HE22      GLN 696 -11.829   3.957 -26.348
  782   HE22  GLN 696          HE21      GLN 696 -11.466   4.190 -28.043
  783    H    LYS 697           H        LYS 697 -16.763   5.897 -25.115
  784    HA   LYS 697           HA       LYS 697 -18.407   7.950 -26.044
  785    HB2  LYS 697           HB2      LYS 697 -18.686   5.188 -25.565
  786    HB3  LYS 697           HB3      LYS 697 -19.853   5.886 -24.475
  787    HG2  LYS 697           HG2      LYS 697 -21.146   5.547 -26.290
  788    HG3  LYS 697           HG3      LYS 697 -20.685   7.209 -26.612
  789    HD2  LYS 697           HD2      LYS 697 -19.244   4.757 -27.757
  790    HD3  LYS 697           HD3      LYS 697 -20.597   5.560 -28.559
  791    HE2  LYS 697           HE2      LYS 697 -19.286   7.721 -28.541
  792    HE3  LYS 697           HE3      LYS 697 -17.890   6.822 -27.913
  793    HZ1  LYS 697           HZ1      LYS 697 -19.204   6.146 -30.493
  794    HZ2  LYS 697           HZ2      LYS 697 -17.901   7.128 -30.374
  795    HZ3  LYS 697           HZ3      LYS 697 -17.763   5.571 -29.917
  796    H    GLU 698           H        GLU 698 -18.191   6.776 -22.669
  797    HA   GLU 698           HA       GLU 698 -20.132   8.525 -21.545
  798    HB2  GLU 698           HB2      GLU 698 -18.308   6.694 -20.386
  799    HB3  GLU 698           HB3      GLU 698 -17.714   8.238 -19.792
  800    HG2  GLU 698           HG2      GLU 698 -19.194   7.885 -18.161
  801    HG3  GLU 698           HG3      GLU 698 -20.267   8.728 -19.259
  802    H    LEU 699           H        LEU 699 -16.664   8.801 -21.892
  803    HA   LEU 699           HA       LEU 699 -16.211  11.256 -20.604
  804    HB2  LEU 699           HB2      LEU 699 -14.794   9.437 -22.538
  805    HB3  LEU 699           HB3      LEU 699 -14.144  11.024 -22.360
  806    HG   LEU 699           HG       LEU 699 -13.448  10.672 -20.177
  807   HD11  LEU 699          HD11      LEU 699 -15.473   9.930 -19.069
  808   HD12  LEU 699          HD12      LEU 699 -15.347   8.325 -19.846
  809   HD13  LEU 699          HD13      LEU 699 -14.141   8.869 -18.660
  810   HD21  LEU 699          HD21      LEU 699 -12.216   9.286 -21.803
  811   HD22  LEU 699          HD22      LEU 699 -12.289   8.466 -20.232
  812   HD23  LEU 699          HD23      LEU 699 -13.351   7.940 -21.523
  813    H    LEU 700           H        LEU 700 -16.228  10.697 -24.171
  814    HA   LEU 700           HA       LEU 700 -16.030  13.456 -24.733
  815    HB2  LEU 700           HB2      LEU 700 -16.565  12.910 -27.044
  816    HB3  LEU 700           HB3      LEU 700 -15.346  11.858 -26.339
  817    HG   LEU 700           HG       LEU 700 -17.642  10.429 -25.842
  818   HD11  LEU 700          HD11      LEU 700 -18.043  11.608 -28.607
  819   HD12  LEU 700          HD12      LEU 700 -19.020  10.340 -27.824
  820   HD13  LEU 700          HD13      LEU 700 -19.038  11.990 -27.189
  821   HD21  LEU 700          HD21      LEU 700 -15.979  10.219 -28.380
  822   HD22  LEU 700          HD22      LEU 700 -15.495   9.607 -26.785
  823   HD23  LEU 700          HD23      LEU 700 -16.909   8.919 -27.580
  824    H    ALA 701           H        ALA 701 -18.964  11.429 -24.309
  825    HA   ALA 701           HA       ALA 701 -20.692  13.454 -25.400
  826    HB1  ALA 701           HB1      ALA 701 -21.292  11.131 -23.509
  827    HB2  ALA 701           HB2      ALA 701 -22.490  12.047 -24.459
  828    HB3  ALA 701           HB3      ALA 701 -21.271  11.058 -25.289
  829    H    GLU 702           H        GLU 702 -19.842  12.554 -22.010
  830    HA   GLU 702           HA       GLU 702 -21.235  14.721 -20.732
  831    HB2  GLU 702           HB2      GLU 702 -18.751  13.092 -20.056
  832    HB3  GLU 702           HB3      GLU 702 -19.421  14.317 -18.988
  833    HG2  GLU 702           HG2      GLU 702 -21.048  11.942 -19.885
  834    HG3  GLU 702           HG3      GLU 702 -19.941  11.917 -18.496
  835    H    TRP 703           H        TRP 703 -17.844  14.429 -21.975
  836    HA   TRP 703           HA       TRP 703 -16.967  16.814 -20.852
  837    HB2  TRP 703           HB2      TRP 703 -16.131  15.451 -23.456
  838    HB3  TRP 703           HB3      TRP 703 -15.257  16.793 -22.777
  839    HD1  TRP 703           HD1      TRP 703 -15.405  15.118 -19.685
  840    HE1  TRP 703           HE1      TRP 703 -13.697  13.258 -19.379
  841    HE3  TRP 703           HE3      TRP 703 -14.000  14.436 -24.562
  842    HZ2  TRP 703           HZ2      TRP 703 -11.606  11.951 -20.952
  843    HZ3  TRP 703           HZ3      TRP 703 -12.302  12.722 -25.123
  844    HH2  TRP 703           HH2      TRP 703 -11.128  11.489 -23.331
  845    H    LYS 704           H        LYS 704 -18.391  16.286 -24.152
  846    HA   LYS 704           HA       LYS 704 -18.227  19.141 -24.714
  847    HB2  LYS 704           HB2      LYS 704 -19.057  18.633 -26.851
  848    HB3  LYS 704           HB3      LYS 704 -17.995  17.301 -26.390
  849    HG2  LYS 704           HG2      LYS 704 -20.137  16.040 -25.696
  850    HG3  LYS 704           HG3      LYS 704 -21.024  17.315 -26.542
  851    HD2  LYS 704           HD2      LYS 704 -19.753  16.812 -28.635
  852    HD3  LYS 704           HD3      LYS 704 -18.806  15.602 -27.761
  853    HE2  LYS 704           HE2      LYS 704 -20.386  14.352 -28.947
  854    HE3  LYS 704           HE3      LYS 704 -20.923  14.342 -27.265
  855    HZ1  LYS 704           HZ1      LYS 704 -22.586  16.051 -27.874
  856    HZ2  LYS 704           HZ2      LYS 704 -22.039  16.076 -29.420
  857    HZ3  LYS 704           HZ3      LYS 704 -22.756  14.742 -28.836
  858    H    ARG 705           H        ARG 705 -20.724  17.086 -23.269
  859    HA   ARG 705           HA       ARG 705 -22.913  18.965 -23.774
  860    HB2  ARG 705           HB2      ARG 705 -22.466  16.491 -22.030
  861    HB3  ARG 705           HB3      ARG 705 -23.841  17.547 -21.717
  862    HG2  ARG 705           HG2      ARG 705 -24.741  17.277 -23.922
  863    HG3  ARG 705           HG3      ARG 705 -23.301  16.431 -24.498
  864    HD2  ARG 705           HD2      ARG 705 -25.249  14.930 -24.061
  865    HD3  ARG 705           HD3      ARG 705 -23.785  14.488 -23.190
  866    HE   ARG 705           HE       ARG 705 -26.166  15.902 -22.028
  867   HH11  ARG 705          HH11      ARG 705 -23.551  13.532 -21.594
  868   HH12  ARG 705          HH12      ARG 705 -23.741  13.420 -19.869
  869   HH21  ARG 705          HH21      ARG 705 -26.501  15.649 -19.759
  870   HH22  ARG 705          HH22      ARG 705 -25.523  14.556 -18.845
  871    H    THR 706           H        THR 706 -20.742  18.194 -21.114
  872    HA   THR 706           HA       THR 706 -22.022  20.003 -19.275
  873    HB   THR 706           HB       THR 706 -19.467  18.348 -19.140
  874    HG1  THR 706           HG1      THR 706 -21.011  16.916 -19.484
  875   HG21  THR 706          HG21      THR 706 -19.537  19.854 -17.280
  876   HG22  THR 706          HG22      THR 706 -21.244  19.414 -16.939
  877   HG23  THR 706          HG23      THR 706 -19.933  18.208 -16.740
  878    H    GLY 707           H        GLY 707 -18.983  19.870 -21.178
  879    HA2  GLY 707           HA2      GLY 707 -17.403  21.333 -21.673
  880    HA3  GLY 707           HA3      GLY 707 -18.625  22.618 -21.509
  Start of MODEL    3
    1    H1   MET   1           H1       MET   1   3.442  -1.410  -2.928
    2    H2   MET   1           H2       MET   1   4.601  -2.546  -2.632
    3    H3   MET   1           H3       MET   1   4.976  -0.947  -2.651
    4    HA   MET   1           HA       MET   1   5.773  -1.942  -4.665
    5    HB2  MET   1           HB2      MET   1   4.364  -2.929  -6.281
    6    HB3  MET   1           HB3      MET   1   4.185  -3.830  -4.783
    7    HG2  MET   1           HG2      MET   1   1.951  -2.707  -4.489
    8    HG3  MET   1           HG3      MET   1   2.189  -1.880  -6.041
    9    HE1  MET   1           HE1      MET   1   0.485  -2.930  -7.887
   10    HE2  MET   1           HE2      MET   1  -0.411  -4.367  -7.370
   11    HE3  MET   1           HE3      MET   1  -0.313  -2.949  -6.287
   12    H    GLN   2           H        GLN   2   4.950  -1.072  -7.112
   13    HA   GLN   2           HA       GLN   2   3.613   1.524  -6.781
   14    HB2  GLN   2           HB2      GLN   2   5.367   2.722  -7.808
   15    HB3  GLN   2           HB3      GLN   2   6.169   1.652  -6.660
   16    HG2  GLN   2           HG2      GLN   2   6.681   0.060  -8.526
   17    HG3  GLN   2           HG3      GLN   2   6.031   1.239  -9.672
   18   HE21  GLN   2          HE22      GLN   2   8.752   0.259  -9.756
   19   HE22  GLN   2          HE21      GLN   2   9.797   1.614  -9.428
   20    H    ILE   3           H        ILE   3   2.643   2.294  -8.744
   21    HA   ILE   3           HA       ILE   3   2.711   0.470 -11.145
   22    HB   ILE   3           HB       ILE   3   0.200   0.637 -11.299
   23   HG12  ILE   3          HG12      ILE   3  -0.043   0.754  -8.341
   24   HG13  ILE   3          HG13      ILE   3   0.340   2.307  -9.077
   25   HG21  ILE   3          HG21      ILE   3   1.410  -1.470 -10.671
   26   HG22  ILE   3          HG22      ILE   3   1.272  -1.043  -8.957
   27   HG23  ILE   3          HG23      ILE   3  -0.184  -1.360  -9.914
   28   HD11  ILE   3          HD11      ILE   3  -2.097   1.884  -8.805
   29   HD12  ILE   3          HD12      ILE   3  -1.578   2.257 -10.468
   30   HD13  ILE   3          HD13      ILE   3  -1.969   0.575 -10.008
   31    H    PHE   4           H        PHE   4   1.945   1.437 -13.027
   32    HA   PHE   4           HA       PHE   4   2.641   4.319 -13.005
   33    HB2  PHE   4           HB2      PHE   4   2.740   2.540 -15.445
   34    HB3  PHE   4           HB3      PHE   4   3.630   4.006 -15.049
   35    HD1  PHE   4           HD2      PHE   4   5.014   3.713 -12.723
   36    HD2  PHE   4           HD1      PHE   4   4.091   0.608 -15.542
   37    HE1  PHE   4           HE2      PHE   4   6.862   2.339 -11.805
   38    HE2  PHE   4           HE1      PHE   4   6.023  -0.698 -14.702
   39    HZ   PHE   4           HZ       PHE   4   7.430   0.162 -12.863
   40    H    VAL   5           H        VAL   5   0.690   5.442 -12.963
   41    HA   VAL   5           HA       VAL   5  -1.564   4.413 -14.626
   42    HB   VAL   5           HB       VAL   5  -1.549   6.781 -12.736
   43   HG11  VAL   5          HG11      VAL   5  -3.296   6.880 -14.480
   44   HG12  VAL   5          HG12      VAL   5  -3.846   5.243 -14.079
   45   HG13  VAL   5          HG13      VAL   5  -4.004   6.556 -12.895
   46   HG21  VAL   5          HG21      VAL   5  -1.142   4.905 -11.366
   47   HG22  VAL   5          HG22      VAL   5  -2.921   5.050 -11.348
   48   HG23  VAL   5          HG23      VAL   5  -2.127   3.831 -12.347
   49    H    LYS   6           H        LYS   6  -1.248   4.805 -16.773
   50    HA   LYS   6           HA       LYS   6   0.055   7.252 -17.713
   51    HB2  LYS   6           HB2      LYS   6  -0.137   4.934 -18.925
   52    HB3  LYS   6           HB3      LYS   6  -1.770   5.464 -19.347
   53    HG2  LYS   6           HG2      LYS   6  -0.593   7.654 -20.221
   54    HG3  LYS   6           HG3      LYS   6   0.910   6.738 -20.043
   55    HD2  LYS   6           HD2      LYS   6  -0.454   4.908 -21.428
   56    HD3  LYS   6           HD3      LYS   6  -1.425   6.321 -21.927
   57    HE2  LYS   6           HE2      LYS   6   0.379   7.360 -23.011
   58    HE3  LYS   6           HE3      LYS   6   1.597   6.400 -22.160
   59    HZ1  LYS   6           HZ1      LYS   6  -0.291   5.142 -24.116
   60    HZ2  LYS   6           HZ2      LYS   6   1.214   5.699 -24.524
   61    HZ3  LYS   6           HZ3      LYS   6   1.041   4.485 -23.450
   62    H    THR   7           H        THR   7  -0.995   9.261 -17.742
   63    HA   THR   7           HA       THR   7  -3.903   9.213 -17.506
   64    HB   THR   7           HB       THR   7  -3.794  11.547 -17.678
   65    HG1  THR   7           HG1      THR   7  -1.585  12.491 -17.746
   66   HG21  THR   7          HG21      THR   7  -1.718  10.549 -15.712
   67   HG22  THR   7          HG22      THR   7  -2.622  12.086 -15.608
   68   HG23  THR   7          HG23      THR   7  -3.485  10.551 -15.484
   69    H    LEU   8           H        LEU   8  -5.232  10.396 -18.994
   70    HA   LEU   8           HA       LEU   8  -4.829   9.249 -21.579
   71    HB2  LEU   8           HB2      LEU   8  -6.778  11.386 -20.787
   72    HB3  LEU   8           HB3      LEU   8  -6.603  10.721 -22.418
   73    HG   LEU   8           HG       LEU   8  -7.728   9.401 -19.997
   74   HD11  LEU   8          HD11      LEU   8  -8.651   9.735 -22.841
   75   HD12  LEU   8          HD12      LEU   8  -9.492   8.731 -21.624
   76   HD13  LEU   8          HD13      LEU   8  -9.330  10.466 -21.360
   77   HD21  LEU   8          HD21      LEU   8  -6.145   7.713 -20.764
   78   HD22  LEU   8          HD22      LEU   8  -7.725   7.215 -21.307
   79   HD23  LEU   8          HD23      LEU   8  -6.645   7.987 -22.469
   80    H    THR   9           H        THR   9  -3.344  12.123 -20.276
   81    HA   THR   9           HA       THR   9  -3.149  13.407 -22.851
   82    HB   THR   9           HB       THR   9  -3.177  14.847 -21.096
   83    HG1  THR   9           HG1      THR   9  -1.572  16.137 -21.548
   84   HG21  THR   9          HG21      THR   9  -0.858  13.399 -19.839
   85   HG22  THR   9          HG22      THR   9  -1.335  15.052 -19.386
   86   HG23  THR   9          HG23      THR   9  -2.490  13.734 -19.172
   87    H    GLY  10           H        GLY  10  -1.674  10.707 -21.376
   88    HA2  GLY  10           HA2      GLY  10   0.087   9.397 -22.170
   89    HA3  GLY  10           HA3      GLY  10   0.589  10.721 -23.245
   90    H    LYS  11           H        LYS  11  -0.100  10.914 -19.659
   91    HA   LYS  11           HA       LYS  11   2.878  11.204 -19.251
   92    HB2  LYS  11           HB2      LYS  11   1.900  13.358 -18.872
   93    HB3  LYS  11           HB3      LYS  11   0.606  12.691 -17.880
   94    HG2  LYS  11           HG2      LYS  11   3.457  12.142 -17.062
   95    HG3  LYS  11           HG3      LYS  11   2.859  13.783 -16.853
   96    HD2  LYS  11           HD2      LYS  11   1.792  11.252 -15.563
   97    HD3  LYS  11           HD3      LYS  11   2.700  12.527 -14.777
   98    HE2  LYS  11           HE2      LYS  11  -0.106  12.824 -15.966
   99    HE3  LYS  11           HE3      LYS  11   0.263  12.481 -14.286
  100    HZ1  LYS  11           HZ1      LYS  11   1.410  14.617 -14.135
  101    HZ2  LYS  11           HZ2      LYS  11   0.979  15.009 -15.682
  102    HZ3  LYS  11           HZ3      LYS  11  -0.168  14.755 -14.506
  103    H    THR  12           H        THR  12   3.573   9.373 -18.224
  104    HA   THR  12           HA       THR  12   1.592   7.864 -16.666
  105    HB   THR  12           HB       THR  12   4.407   6.962 -16.791
  106    HG1  THR  12           HG1      THR  12   4.357   6.428 -18.949
  107   HG21  THR  12          HG21      THR  12   1.788   5.610 -17.638
  108   HG22  THR  12          HG22      THR  12   3.291   4.820 -17.137
  109   HG23  THR  12          HG23      THR  12   2.327   5.737 -15.931
  110    H    ILE  13           H        ILE  13   1.174   8.232 -14.707
  111    HA   ILE  13           HA       ILE  13   3.262   9.469 -12.992
  112    HB   ILE  13           HB       ILE  13   1.638  10.884 -12.772
  113   HG12  ILE  13          HG12      ILE  13   1.815   9.324 -10.507
  114   HG13  ILE  13          HG13      ILE  13   1.048  10.881 -10.640
  115   HG21  ILE  13          HG21      ILE  13  -0.041  10.144 -14.272
  116   HG22  ILE  13          HG22      ILE  13  -0.594   8.900 -13.123
  117   HG23  ILE  13          HG23      ILE  13  -0.782  10.648 -12.732
  118   HD11  ILE  13          HD11      ILE  13  -0.212   9.039  -9.418
  119   HD12  ILE  13          HD12      ILE  13  -1.117  10.034 -10.586
  120   HD13  ILE  13          HD13      ILE  13  -0.547   8.364 -10.997
  121    H    THR  14           H        THR  14   4.370   8.036 -11.895
  122    HA   THR  14           HA       THR  14   3.340   5.394 -11.319
  123    HB   THR  14           HB       THR  14   5.785   6.806 -10.292
  124    HG1  THR  14           HG1      THR  14   6.852   6.134 -12.114
  125   HG21  THR  14          HG21      THR  14   6.679   4.324 -10.370
  126   HG22  THR  14          HG22      THR  14   5.511   4.710  -9.098
  127   HG23  THR  14          HG23      THR  14   4.984   3.833 -10.545
  128    H    LEU  15           H        LEU  15   2.633   4.705  -9.268
  129    HA   LEU  15           HA       LEU  15   2.773   6.585  -7.009
  130    HB2  LEU  15           HB2      LEU  15   0.400   6.402  -6.540
  131    HB3  LEU  15           HB3      LEU  15   0.682   7.090  -8.147
  132    HG   LEU  15           HG       LEU  15   0.227   4.593  -8.956
  133   HD11  LEU  15          HD11      LEU  15  -1.341   4.822  -6.335
  134   HD12  LEU  15          HD12      LEU  15  -1.558   3.560  -7.561
  135   HD13  LEU  15          HD13      LEU  15  -0.037   3.649  -6.679
  136   HD21  LEU  15          HD21      LEU  15  -1.906   6.545  -7.988
  137   HD22  LEU  15          HD22      LEU  15  -1.089   6.545  -9.579
  138   HD23  LEU  15          HD23      LEU  15  -2.180   5.213  -9.134
  139    H    GLU  16           H        GLU  16   2.570   5.572  -4.964
  140    HA   GLU  16           HA       GLU  16   3.313   2.730  -5.179
  141    HB2  GLU  16           HB2      GLU  16   4.099   4.965  -3.300
  142    HB3  GLU  16           HB3      GLU  16   4.240   3.275  -2.776
  143    HG2  GLU  16           HG2      GLU  16   5.573   2.710  -4.718
  144    HG3  GLU  16           HG3      GLU  16   5.469   4.361  -5.335
  145    H    VAL  17           H        VAL  17   2.127   1.268  -4.413
  146    HA   VAL  17           HA       VAL  17  -0.027   1.604  -2.419
  147    HB   VAL  17           HB       VAL  17  -1.667   0.624  -4.164
  148   HG11  VAL  17          HG11      VAL  17  -2.324   2.789  -4.995
  149   HG12  VAL  17          HG12      VAL  17  -1.823   2.883  -3.300
  150   HG13  VAL  17          HG13      VAL  17  -0.737   3.464  -4.561
  151   HG21  VAL  17          HG21      VAL  17  -0.160  -0.071  -5.913
  152   HG22  VAL  17          HG22      VAL  17  -1.210   1.229  -6.515
  153   HG23  VAL  17          HG23      VAL  17   0.478   1.563  -6.125
  154    H    GLU  18           H        GLU  18  -1.352  -0.712  -2.884
  155    HA   GLU  18           HA       GLU  18   0.673  -2.907  -2.744
  156    HB2  GLU  18           HB2      GLU  18  -1.848  -2.492  -1.078
  157    HB3  GLU  18           HB3      GLU  18  -0.898  -3.975  -1.084
  158    HG2  GLU  18           HG2      GLU  18   0.174  -1.263  -0.226
  159    HG3  GLU  18           HG3      GLU  18  -0.505  -2.465   0.854
  160    HA   PRO  19           HA       PRO  19  -2.110  -4.718  -5.818
  161    HB2  PRO  19           HB2      PRO  19  -2.241  -7.231  -4.195
  162    HB3  PRO  19           HB3      PRO  19  -1.809  -7.006  -5.928
  163    HG2  PRO  19           HG2      PRO  19   0.067  -7.521  -3.989
  164    HG3  PRO  19           HG3      PRO  19   0.397  -6.500  -5.415
  165    HD2  PRO  19           HD2      PRO  19  -0.180  -5.667  -2.575
  166    HD3  PRO  19           HD3      PRO  19   0.916  -4.921  -3.788
  167    H    SER  20           H        SER  20  -2.855  -4.962  -2.332
  168    HA   SER  20           HA       SER  20  -5.731  -5.410  -2.888
  169    HB2  SER  20           HB2      SER  20  -4.227  -5.482  -0.240
  170    HB3  SER  20           HB3      SER  20  -5.878  -6.049  -0.560
  171    HG   SER  20           HG       SER  20  -4.342  -7.784  -0.522
  172    H    ASP  21           H        ASP  21  -3.876  -2.794  -3.063
  173    HA   ASP  21           HA       ASP  21  -5.404  -1.173  -1.242
  174    HB2  ASP  21           HB2      ASP  21  -3.108  -0.486  -2.031
  175    HB3  ASP  21           HB3      ASP  21  -3.816  -0.215  -3.638
  176    H    THR  22           H        THR  22  -7.232  -0.005  -1.822
  177    HA   THR  22           HA       THR  22  -8.746  -1.141  -3.968
  178    HB   THR  22           HB       THR  22 -10.500   0.564  -3.243
  179    HG1  THR  22           HG1      THR  22 -10.069   1.401  -1.084
  180   HG21  THR  22          HG21      THR  22  -9.487  -1.492  -1.253
  181   HG22  THR  22          HG22      THR  22 -11.114  -0.752  -1.275
  182   HG23  THR  22          HG23      THR  22 -10.596  -1.756  -2.636
  183    H    ILE  23           H        ILE  23  -9.544  -0.223  -5.727
  184    HA   ILE  23           HA       ILE  23  -8.244   1.739  -7.219
  185    HB   ILE  23           HB       ILE  23 -11.198   1.139  -7.106
  186   HG12  ILE  23          HG12      ILE  23 -10.375  -0.931  -7.611
  187   HG13  ILE  23          HG13      ILE  23 -10.544  -0.221  -9.209
  188   HG21  ILE  23          HG21      ILE  23 -11.285   1.878  -9.480
  189   HG22  ILE  23          HG22      ILE  23 -10.810   3.188  -8.397
  190   HG23  ILE  23          HG23      ILE  23  -9.575   2.360  -9.362
  191   HD11  ILE  23          HD11      ILE  23  -8.514  -1.471  -9.141
  192   HD12  ILE  23          HD12      ILE  23  -8.094   0.256  -9.222
  193   HD13  ILE  23          HD13      ILE  23  -7.983  -0.637  -7.674
  194    H    GLU  24           H        GLU  24 -10.921   2.375  -4.799
  195    HA   GLU  24           HA       GLU  24 -11.145   5.112  -5.352
  196    HB2  GLU  24           HB2      GLU  24 -12.561   3.703  -3.784
  197    HB3  GLU  24           HB3      GLU  24 -11.283   3.839  -2.583
  198    HG2  GLU  24           HG2      GLU  24 -11.521   6.316  -2.609
  199    HG3  GLU  24           HG3      GLU  24 -12.766   6.186  -3.848
  200    H    ASN  25           H        ASN  25  -8.770   3.448  -3.255
  201    HA   ASN  25           HA       ASN  25  -7.664   5.988  -2.326
  202    HB2  ASN  25           HB2      ASN  25  -7.747   3.911  -0.918
  203    HB3  ASN  25           HB3      ASN  25  -6.597   3.171  -2.025
  204   HD21  ASN  25          HD22      ASN  25  -4.934   2.942  -0.553
  205   HD22  ASN  25          HD21      ASN  25  -4.145   4.278   0.305
  206    H    VAL  26           H        VAL  26  -6.915   3.618  -4.874
  207    HA   VAL  26           HA       VAL  26  -4.412   4.749  -5.697
  208    HB   VAL  26           HB       VAL  26  -6.657   3.303  -7.128
  209   HG11  VAL  26          HG11      VAL  26  -3.873   3.989  -8.140
  210   HG12  VAL  26          HG12      VAL  26  -4.966   2.809  -8.903
  211   HG13  VAL  26          HG13      VAL  26  -5.439   4.532  -8.795
  212   HG21  VAL  26          HG21      VAL  26  -5.581   1.303  -6.790
  213   HG22  VAL  26          HG22      VAL  26  -3.986   2.055  -6.519
  214   HG23  VAL  26          HG23      VAL  26  -5.236   2.102  -5.272
  215    H    LYS  27           H        LYS  27  -7.800   5.363  -6.947
  216    HA   LYS  27           HA       LYS  27  -7.120   7.598  -8.507
  217    HB2  LYS  27           HB2      LYS  27  -9.651   7.137  -6.818
  218    HB3  LYS  27           HB3      LYS  27  -9.497   8.399  -8.029
  219    HG2  LYS  27           HG2      LYS  27  -9.296   6.615  -9.797
  220    HG3  LYS  27           HG3      LYS  27  -9.679   5.418  -8.533
  221    HD2  LYS  27           HD2      LYS  27 -11.690   6.971  -7.969
  222    HD3  LYS  27           HD3      LYS  27 -11.336   7.764  -9.508
  223    HE2  LYS  27           HE2      LYS  27 -11.814   5.713 -10.723
  224    HE3  LYS  27           HE3      LYS  27 -12.084   4.853  -9.185
  225    HZ1  LYS  27           HZ1      LYS  27 -14.184   5.706 -10.247
  226    HZ2  LYS  27           HZ2      LYS  27 -13.969   6.207  -8.718
  227    HZ3  LYS  27           HZ3      LYS  27 -13.678   7.255  -9.977
  228    H    ALA  28           H        ALA  28  -7.622   7.501  -4.912
  229    HA   ALA  28           HA       ALA  28  -7.582  10.365  -4.623
  230    HB1  ALA  28           HB1      ALA  28  -8.329   8.825  -2.817
  231    HB2  ALA  28           HB2      ALA  28  -6.640   8.278  -2.614
  232    HB3  ALA  28           HB3      ALA  28  -7.068   9.966  -2.293
  233    H    LYS  29           H        LYS  29  -4.944   7.914  -4.893
  234    HA   LYS  29           HA       LYS  29  -2.841   9.878  -4.396
  235    HB2  LYS  29           HB2      LYS  29  -2.832   7.154  -5.741
  236    HB3  LYS  29           HB3      LYS  29  -1.382   8.145  -5.462
  237    HG2  LYS  29           HG2      LYS  29  -1.659   8.106  -3.095
  238    HG3  LYS  29           HG3      LYS  29  -3.299   7.465  -3.192
  239    HD2  LYS  29           HD2      LYS  29  -2.542   5.304  -3.932
  240    HD3  LYS  29           HD3      LYS  29  -0.851   5.843  -4.020
  241    HE2  LYS  29           HE2      LYS  29  -2.368   6.236  -1.434
  242    HE3  LYS  29           HE3      LYS  29  -1.915   4.581  -1.854
  243    HZ1  LYS  29           HZ1      LYS  29  -0.218   5.652  -0.491
  244    HZ2  LYS  29           HZ2      LYS  29   0.407   5.253  -1.949
  245    HZ3  LYS  29           HZ3      LYS  29   0.030   6.824  -1.593
  246    H    ILE  30           H        ILE  30  -4.754   8.895  -7.221
  247    HA   ILE  30           HA       ILE  30  -3.204  10.511  -9.070
  248    HB   ILE  30           HB       ILE  30  -6.154   9.922  -9.304
  249   HG12  ILE  30          HG12      ILE  30  -5.221   7.759  -9.111
  250   HG13  ILE  30          HG13      ILE  30  -5.461   8.025 -10.830
  251   HG21  ILE  30          HG21      ILE  30  -5.691  10.121 -11.727
  252   HG22  ILE  30          HG22      ILE  30  -5.400  11.623 -10.859
  253   HG23  ILE  30          HG23      ILE  30  -4.023  10.599 -11.363
  254   HD11  ILE  30          HD11      ILE  30  -2.865   8.276  -9.275
  255   HD12  ILE  30          HD12      ILE  30  -3.421   6.928 -10.282
  256   HD13  ILE  30          HD13      ILE  30  -3.027   8.512 -11.030
  257    H    GLN  31           H        GLN  31  -6.046  11.279  -7.028
  258    HA   GLN  31           HA       GLN  31  -6.288  13.991  -7.699
  259    HB2  GLN  31           HB2      GLN  31  -7.830  12.660  -6.220
  260    HB3  GLN  31           HB3      GLN  31  -6.641  12.868  -4.931
  261    HG2  GLN  31           HG2      GLN  31  -7.047  15.497  -5.688
  262    HG3  GLN  31           HG3      GLN  31  -8.639  14.813  -5.978
  263   HE21  GLN  31          HE22      GLN  31  -9.870  13.956  -4.129
  264   HE22  GLN  31          HE21      GLN  31  -9.352  14.282  -2.500
  265    H    ASP  32           H        ASP  32  -4.046  12.386  -5.418
  266    HA   ASP  32           HA       ASP  32  -2.816  14.763  -4.433
  267    HB2  ASP  32           HB2      ASP  32  -2.443  12.748  -3.256
  268    HB3  ASP  32           HB3      ASP  32  -1.849  11.913  -4.680
  269    H    LYS  33           H        LYS  33  -2.210  12.826  -7.421
  270    HA   LYS  33           HA       LYS  33   0.193  14.386  -8.017
  271    HB2  LYS  33           HB2      LYS  33  -1.226  12.086  -9.335
  272    HB3  LYS  33           HB3      LYS  33   0.318  12.763  -9.871
  273    HG2  LYS  33           HG2      LYS  33  -0.001  11.887  -6.963
  274    HG3  LYS  33           HG3      LYS  33   0.217  10.688  -8.185
  275    HD2  LYS  33           HD2      LYS  33   2.307  11.851  -8.982
  276    HD3  LYS  33           HD3      LYS  33   2.166  12.980  -7.625
  277    HE2  LYS  33           HE2      LYS  33   2.059   9.975  -7.238
  278    HE3  LYS  33           HE3      LYS  33   3.624  10.769  -7.456
  279    HZ1  LYS  33           HZ1      LYS  33   3.269  12.078  -5.503
  280    HZ2  LYS  33           HZ2      LYS  33   1.721  11.634  -5.306
  281    HZ3  LYS  33           HZ3      LYS  33   2.935  10.548  -5.060
  282    H    GLU  34           H        GLU  34  -3.040  14.106  -9.207
  283    HA   GLU  34           HA       GLU  34  -2.518  15.802 -11.558
  284    HB2  GLU  34           HB2      GLU  34  -4.668  13.730 -10.947
  285    HB3  GLU  34           HB3      GLU  34  -4.522  14.624 -12.465
  286    HG2  GLU  34           HG2      GLU  34  -2.718  12.500 -11.311
  287    HG3  GLU  34           HG3      GLU  34  -3.566  12.495 -12.857
  288    H    GLY  35           H        GLY  35  -4.607  15.447  -8.710
  289    HA2  GLY  35           HA2      GLY  35  -5.534  17.259  -7.568
  290    HA3  GLY  35           HA3      GLY  35  -5.540  18.227  -9.048
  291    H    ILE  36           H        ILE  36  -6.756  14.996  -9.502
  292    HA   ILE  36           HA       ILE  36  -9.402  16.212  -9.990
  293    HB   ILE  36           HB       ILE  36  -8.185  13.564 -10.838
  294   HG12  ILE  36          HG12      ILE  36  -8.545  16.146 -12.464
  295   HG13  ILE  36          HG13      ILE  36  -7.000  15.631 -11.783
  296   HG21  ILE  36          HG21      ILE  36 -10.074  13.438 -12.406
  297   HG22  ILE  36          HG22      ILE  36 -10.740  13.680 -10.786
  298   HG23  ILE  36          HG23      ILE  36 -10.641  15.053 -11.899
  299   HD11  ILE  36          HD11      ILE  36  -7.173  13.498 -13.020
  300   HD12  ILE  36          HD12      ILE  36  -8.601  14.154 -13.877
  301   HD13  ILE  36          HD13      ILE  36  -7.018  14.947 -14.046
  302    HA   PRO  37           HA       PRO  37 -10.682  13.935  -6.298
  303    HB2  PRO  37           HB2      PRO  37 -13.490  14.322  -6.750
  304    HB3  PRO  37           HB3      PRO  37 -12.382  15.236  -5.666
  305    HG2  PRO  37           HG2      PRO  37 -13.603  16.160  -8.111
  306    HG3  PRO  37           HG3      PRO  37 -12.431  17.005  -7.055
  307    HD2  PRO  37           HD2      PRO  37 -11.920  15.604  -9.631
  308    HD3  PRO  37           HD3      PRO  37 -10.954  16.837  -8.771
  309    HA   PRO  38           HA       PRO  38 -11.158  10.025  -8.007
  310    HB2  PRO  38           HB2      PRO  38 -12.564   8.598  -6.103
  311    HB3  PRO  38           HB3      PRO  38 -10.805   8.970  -6.038
  312    HG2  PRO  38           HG2      PRO  38 -13.072  10.379  -4.634
  313    HG3  PRO  38           HG3      PRO  38 -11.443   9.978  -4.001
  314    HD2  PRO  38           HD2      PRO  38 -12.049  12.464  -4.883
  315    HD3  PRO  38           HD3      PRO  38 -10.441  11.741  -5.215
  316    H    ASP  39           H        ASP  39 -14.281  11.223  -6.702
  317    HA   ASP  39           HA       ASP  39 -15.656   9.167  -8.219
  318    HB2  ASP  39           HB2      ASP  39 -16.531  10.120  -6.105
  319    HB3  ASP  39           HB3      ASP  39 -16.815  11.658  -6.926
  320    H    GLN  40           H        GLN  40 -14.341  12.225  -9.028
  321    HA   GLN  40           HA       GLN  40 -16.007  12.456 -11.507
  322    HB2  GLN  40           HB2      GLN  40 -15.892  14.507 -10.435
  323    HB3  GLN  40           HB3      GLN  40 -14.192  14.322  -9.980
  324    HG2  GLN  40           HG2      GLN  40 -13.489  14.756 -12.277
  325    HG3  GLN  40           HG3      GLN  40 -15.159  14.834 -12.816
  326   HE21  GLN  40          HE22      GLN  40 -16.184  16.985 -12.755
  327   HE22  GLN  40          HE21      GLN  40 -15.430  18.309 -11.909
  328    H    GLN  41           H        GLN  41 -13.463  10.578 -10.585
  329    HA   GLN  41           HA       GLN  41 -11.840  10.899 -13.062
  330    HB2  GLN  41           HB2      GLN  41 -11.068  11.478 -10.680
  331    HB3  GLN  41           HB3      GLN  41 -11.281   9.790 -10.273
  332    HG2  GLN  41           HG2      GLN  41  -9.614   9.374 -12.230
  333    HG3  GLN  41           HG3      GLN  41  -9.276  11.123 -12.045
  334   HE21  GLN  41          HE22      GLN  41  -9.070  11.648  -9.332
  335   HE22  GLN  41          HE21      GLN  41  -8.052  10.479  -8.545
  336    H    ARG  42           H        ARG  42 -11.543   8.889 -14.297
  337    HA   ARG  42           HA       ARG  42 -12.714   6.454 -12.987
  338    HB2  ARG  42           HB2      ARG  42 -13.364   7.566 -15.589
  339    HB3  ARG  42           HB3      ARG  42 -12.574   5.969 -15.775
  340    HG2  ARG  42           HG2      ARG  42 -14.242   4.821 -14.919
  341    HG3  ARG  42           HG3      ARG  42 -14.671   6.064 -13.697
  342    HD2  ARG  42           HD2      ARG  42 -15.775   7.377 -15.533
  343    HD3  ARG  42           HD3      ARG  42 -15.450   6.056 -16.646
  344    HE   ARG  42           HE       ARG  42 -17.021   5.655 -14.101
  345   HH11  ARG  42          HH11      ARG  42 -16.938   4.998 -17.556
  346   HH12  ARG  42          HH12      ARG  42 -18.682   5.147 -17.785
  347   HH21  ARG  42          HH21      ARG  42 -19.327   5.422 -14.312
  348   HH22  ARG  42          HH22      ARG  42 -20.002   5.069 -15.862
  349    H    LEU  43           H        LEU  43 -11.680   4.455 -13.562
  350    HA   LEU  43           HA       LEU  43  -8.815   4.823 -14.270
  351    HB2  LEU  43           HB2      LEU  43  -9.782   4.342 -11.665
  352    HB3  LEU  43           HB3      LEU  43  -9.466   2.722 -12.284
  353    HG   LEU  43           HG       LEU  43  -7.140   3.364 -12.809
  354   HD11  LEU  43          HD11      LEU  43  -6.305   5.550 -11.707
  355   HD12  LEU  43          HD12      LEU  43  -7.264   5.798 -13.168
  356   HD13  LEU  43          HD13      LEU  43  -8.007   6.065 -11.592
  357   HD21  LEU  43          HD21      LEU  43  -7.806   2.348 -10.617
  358   HD22  LEU  43          HD22      LEU  43  -6.430   3.444 -10.467
  359   HD23  LEU  43          HD23      LEU  43  -8.028   3.987  -9.935
  360    H    ILE  44           H        ILE  44  -8.302   3.548 -15.786
  361    HA   ILE  44           HA       ILE  44  -9.923   1.132 -16.463
  362    HB   ILE  44           HB       ILE  44  -8.617   3.201 -18.281
  363   HG12  ILE  44          HG12      ILE  44 -11.525   2.477 -17.640
  364   HG13  ILE  44          HG13      ILE  44 -10.690   3.945 -17.143
  365   HG21  ILE  44          HG21      ILE  44  -9.211   2.176 -20.224
  366   HG22  ILE  44          HG22      ILE  44  -8.521   0.852 -19.331
  367   HG23  ILE  44          HG23      ILE  44 -10.315   1.024 -19.481
  368   HD11  ILE  44          HD11      ILE  44 -10.449   4.478 -19.633
  369   HD12  ILE  44          HD12      ILE  44 -11.757   3.268 -19.818
  370   HD13  ILE  44          HD13      ILE  44 -11.994   4.693 -18.761
  371    H    PHE  45           H        PHE  45  -8.748  -0.635 -17.321
  372    HA   PHE  45           HA       PHE  45  -5.778  -0.444 -17.172
  373    HB2  PHE  45           HB2      PHE  45  -6.439  -1.200 -14.995
  374    HB3  PHE  45           HB3      PHE  45  -7.641  -2.300 -15.683
  375    HD1  PHE  45           HD1      PHE  45  -3.976  -1.656 -16.239
  376    HD2  PHE  45           HD2      PHE  45  -7.041  -4.593 -15.558
  377    HE1  PHE  45           HE1      PHE  45  -2.259  -3.446 -16.256
  378    HE2  PHE  45           HE2      PHE  45  -5.323  -6.374 -15.452
  379    HZ   PHE  45           HZ       PHE  45  -2.939  -5.817 -15.799
  380    H    ALA  46           H        ALA  46  -5.158  -1.165 -19.103
  381    HA   ALA  46           HA       ALA  46  -5.126  -2.250 -21.056
  382    HB1  ALA  46           HB1      ALA  46  -5.736  -4.493 -19.075
  383    HB2  ALA  46           HB2      ALA  46  -4.939  -4.731 -20.660
  384    HB3  ALA  46           HB3      ALA  46  -4.134  -3.789 -19.384
  385    H    GLY  47           H        GLY  47  -7.482  -1.097 -20.865
  386    HA2  GLY  47           HA2      GLY  47  -9.189  -0.868 -22.346
  387    HA3  GLY  47           HA3      GLY  47  -8.977  -2.538 -22.909
  388    H    LYS  48           H        LYS  48  -9.354  -2.205 -19.446
  389    HA   LYS  48           HA       LYS  48 -12.316  -2.420 -19.626
  390    HB2  LYS  48           HB2      LYS  48 -12.424  -4.210 -18.124
  391    HB3  LYS  48           HB3      LYS  48 -11.072  -4.629 -19.155
  392    HG2  LYS  48           HG2      LYS  48  -9.743  -3.311 -17.113
  393    HG3  LYS  48           HG3      LYS  48 -11.159  -3.846 -16.251
  394    HD2  LYS  48           HD2      LYS  48  -9.471  -5.523 -15.970
  395    HD3  LYS  48           HD3      LYS  48 -10.693  -6.202 -17.061
  396    HE2  LYS  48           HE2      LYS  48  -9.221  -5.508 -19.020
  397    HE3  LYS  48           HE3      LYS  48  -8.010  -4.933 -17.875
  398    HZ1  LYS  48           HZ1      LYS  48  -8.954  -7.761 -18.142
  399    HZ2  LYS  48           HZ2      LYS  48  -7.524  -7.185 -18.669
  400    HZ3  LYS  48           HZ3      LYS  48  -7.828  -7.262 -17.065
  401    H    GLN  49           H        GLN  49 -13.299  -1.789 -17.432
  402    HA   GLN  49           HA       GLN  49 -11.814   0.556 -16.356
  403    HB2  GLN  49           HB2      GLN  49 -13.686   1.129 -17.836
  404    HB3  GLN  49           HB3      GLN  49 -14.761   0.045 -16.940
  405    HG2  GLN  49           HG2      GLN  49 -14.553   1.502 -14.949
  406    HG3  GLN  49           HG3      GLN  49 -13.516   2.605 -15.875
  407   HE21  GLN  49          HE22      GLN  49 -16.859   1.208 -15.692
  408   HE22  GLN  49          HE21      GLN  49 -17.600   2.461 -16.653
  409    H    LEU  50           H        LEU  50 -11.865   0.793 -14.169
  410    HA   LEU  50           HA       LEU  50 -12.597  -1.689 -12.664
  411    HB2  LEU  50           HB2      LEU  50 -10.772   0.570 -11.779
  412    HB3  LEU  50           HB3      LEU  50 -11.082  -0.979 -11.017
  413    HG   LEU  50           HG       LEU  50  -9.239  -1.746 -11.814
  414   HD11  LEU  50          HD11      LEU  50 -10.745  -2.719 -13.637
  415   HD12  LEU  50          HD12      LEU  50 -10.058  -1.485 -14.716
  416   HD13  LEU  50          HD13      LEU  50  -9.011  -2.686 -13.930
  417   HD21  LEU  50          HD21      LEU  50  -7.718  -0.582 -13.262
  418   HD22  LEU  50          HD22      LEU  50  -9.002   0.542 -13.768
  419   HD23  LEU  50          HD23      LEU  50  -8.411   0.525 -12.079
  420    H    GLU  51           H        GLU  51 -13.382  -1.253 -10.317
  421    HA   GLU  51           HA       GLU  51 -14.858   1.326 -10.176
  422    HB2  GLU  51           HB2      GLU  51 -16.755   0.333  -9.206
  423    HB3  GLU  51           HB3      GLU  51 -16.396  -0.532 -10.699
  424    HG2  GLU  51           HG2      GLU  51 -15.346  -2.345  -9.390
  425    HG3  GLU  51           HG3      GLU  51 -15.706  -1.470  -7.890
  426    H    ASP  52           H        ASP  52 -15.291   2.144  -8.061
  427    HA   ASP  52           HA       ASP  52 -12.826   2.523  -6.772
  428    HB2  ASP  52           HB2      ASP  52 -15.677   3.264  -6.094
  429    HB3  ASP  52           HB3      ASP  52 -14.359   3.635  -4.992
  430    H    GLY  53           H        GLY  53 -15.496   0.378  -5.942
  431    HA2  GLY  53           HA2      GLY  53 -14.442  -0.283  -3.315
  432    HA3  GLY  53           HA3      GLY  53 -15.885  -0.946  -4.108
  433    H    ARG  54           H        ARG  54 -12.935  -1.097  -6.005
  434    HA   ARG  54           HA       ARG  54 -12.484  -3.955  -5.269
  435    HB2  ARG  54           HB2      ARG  54 -12.648  -2.514  -7.952
  436    HB3  ARG  54           HB3      ARG  54 -11.937  -4.133  -7.763
  437    HG2  ARG  54           HG2      ARG  54 -14.840  -3.419  -7.076
  438    HG3  ARG  54           HG3      ARG  54 -14.276  -4.178  -8.568
  439    HD2  ARG  54           HD2      ARG  54 -14.942  -6.012  -7.426
  440    HD3  ARG  54           HD3      ARG  54 -13.206  -5.923  -7.056
  441    HE   ARG  54           HE       ARG  54 -14.835  -4.597  -5.071
  442   HH11  ARG  54          HH11      ARG  54 -13.466  -7.792  -6.002
  443   HH12  ARG  54          HH12      ARG  54 -13.781  -8.489  -4.448
  444   HH21  ARG  54          HH21      ARG  54 -15.116  -5.522  -3.021
  445   HH22  ARG  54          HH22      ARG  54 -14.680  -7.163  -2.707
  446    H    THR  55           H        THR  55 -10.200  -4.586  -6.407
  447    HA   THR  55           HA       THR  55  -8.284  -2.498  -5.466
  448    HB   THR  55           HB       THR  55  -7.063  -4.431  -4.486
  449    HG1  THR  55           HG1      THR  55  -7.875  -6.405  -4.631
  450   HG21  THR  55          HG21      THR  55  -9.812  -3.999  -3.255
  451   HG22  THR  55          HG22      THR  55  -8.424  -4.760  -2.453
  452   HG23  THR  55          HG23      THR  55  -8.313  -3.071  -2.956
  453    H    LEU  56           H        LEU  56  -6.051  -3.144  -6.057
  454    HA   LEU  56           HA       LEU  56  -6.019  -3.426  -8.949
  455    HB2  LEU  56           HB2      LEU  56  -3.646  -3.828  -7.061
  456    HB3  LEU  56           HB3      LEU  56  -3.577  -3.396  -8.748
  457    HG   LEU  56           HG       LEU  56  -4.637  -1.642  -6.507
  458   HD11  LEU  56          HD11      LEU  56  -2.236  -1.815  -6.495
  459   HD12  LEU  56          HD12      LEU  56  -2.143  -1.442  -8.243
  460   HD13  LEU  56          HD13      LEU  56  -2.734  -0.230  -7.071
  461   HD21  LEU  56          HD21      LEU  56  -4.670   0.110  -8.390
  462   HD22  LEU  56          HD22      LEU  56  -4.452  -1.209  -9.540
  463   HD23  LEU  56          HD23      LEU  56  -5.911  -1.148  -8.512
  464    H    SER  57           H        SER  57  -5.371  -5.657  -6.292
  465    HA   SER  57           HA       SER  57  -4.707  -7.961  -7.737
  466    HB2  SER  57           HB2      SER  57  -5.623  -9.084  -5.663
  467    HB3  SER  57           HB3      SER  57  -4.331  -7.878  -5.423
  468    HG   SER  57           HG       SER  57  -6.096  -7.697  -3.917
  469    H    ASP  58           H        ASP  58  -7.978  -6.560  -7.091
  470    HA   ASP  58           HA       ASP  58  -9.476  -8.898  -7.744
  471    HB2  ASP  58           HB2      ASP  58 -10.343  -6.823  -6.667
  472    HB3  ASP  58           HB3      ASP  58 -10.231  -6.014  -8.231
  473    H    TYR  59           H        TYR  59  -7.696  -6.586  -9.563
  474    HA   TYR  59           HA       TYR  59  -8.745  -7.531 -12.196
  475    HB2  TYR  59           HB2      TYR  59  -7.325  -4.993 -11.416
  476    HB3  TYR  59           HB3      TYR  59  -7.822  -5.391 -13.065
  477    HD1  TYR  59           HD2      TYR  59 -10.402  -5.977 -13.352
  478    HD2  TYR  59           HD1      TYR  59  -8.761  -3.751 -10.031
  479    HE1  TYR  59           HE2      TYR  59 -12.649  -5.083 -12.847
  480    HE2  TYR  59           HE1      TYR  59 -10.989  -2.940  -9.466
  481    HH   TYR  59           HH       TYR  59 -13.935  -3.759 -11.379
  482    H    ASN  60           H        ASN  60  -6.449  -8.385 -10.188
  483    HA   ASN  60           HA       ASN  60  -4.604  -9.577 -10.256
  484    HB2  ASN  60           HB2      ASN  60  -6.103 -10.654 -12.216
  485    HB3  ASN  60           HB3      ASN  60  -4.742 -10.133 -13.209
  486   HD21  ASN  60          HD22      ASN  60  -5.560 -11.838 -10.145
  487   HD22  ASN  60          HD21      ASN  60  -4.253 -13.006 -10.225
  488    H    ILE  61           H        ILE  61  -4.520  -6.681 -11.004
  489    HA   ILE  61           HA       ILE  61  -2.085  -6.172 -12.495
  490    HB   ILE  61           HB       ILE  61  -3.707  -4.724 -10.392
  491   HG12  ILE  61          HG12      ILE  61  -3.576  -3.897 -13.293
  492   HG13  ILE  61          HG13      ILE  61  -4.709  -5.146 -12.777
  493   HG21  ILE  61          HG21      ILE  61  -2.501  -2.613 -11.047
  494   HG22  ILE  61          HG22      ILE  61  -1.422  -3.798 -10.329
  495   HG23  ILE  61          HG23      ILE  61  -1.456  -3.577 -12.099
  496   HD11  ILE  61          HD11      ILE  61  -4.607  -2.350 -11.621
  497   HD12  ILE  61          HD12      ILE  61  -5.800  -2.971 -12.790
  498   HD13  ILE  61          HD13      ILE  61  -5.711  -3.618 -11.141
  499    H    GLN  62           H        GLN  62  -0.027  -5.932 -11.600
  500    HA   GLN  62           HA       GLN  62   0.412  -6.693  -8.751
  501    HB2  GLN  62           HB2      GLN  62   2.101  -7.522 -11.168
  502    HB3  GLN  62           HB3      GLN  62   2.396  -7.950  -9.477
  503    HG2  GLN  62           HG2      GLN  62   0.243  -9.220  -9.448
  504    HG3  GLN  62           HG3      GLN  62   0.010  -8.820 -11.150
  505   HE21  GLN  62          HE22      GLN  62   0.629 -10.453 -12.542
  506   HE22  GLN  62          HE21      GLN  62   1.891 -11.620 -12.221
  507    H    LYS  63           H        LYS  63   3.034  -6.081  -8.512
  508    HA   LYS  63           HA       LYS  63   3.305  -3.290  -8.713
  509    HB2  LYS  63           HB2      LYS  63   5.581  -3.689  -8.024
  510    HB3  LYS  63           HB3      LYS  63   4.566  -4.906  -7.205
  511    HG2  LYS  63           HG2      LYS  63   5.278  -6.540  -9.034
  512    HG3  LYS  63           HG3      LYS  63   6.450  -5.305  -9.541
  513    HD2  LYS  63           HD2      LYS  63   7.286  -5.265  -7.117
  514    HD3  LYS  63           HD3      LYS  63   6.266  -6.706  -6.845
  515    HE2  LYS  63           HE2      LYS  63   7.496  -7.837  -8.733
  516    HE3  LYS  63           HE3      LYS  63   8.524  -6.396  -8.871
  517    HZ1  LYS  63           HZ1      LYS  63   9.592  -8.114  -7.547
  518    HZ2  LYS  63           HZ2      LYS  63   9.315  -6.814  -6.609
  519    HZ3  LYS  63           HZ3      LYS  63   8.366  -8.145  -6.473
  520    H    GLU  64           H        GLU  64   4.794  -2.107  -9.833
  521    HA   GLU  64           HA       GLU  64   5.412  -1.122 -11.670
  522    HB2  GLU  64           HB2      GLU  64   7.444  -1.897 -12.624
  523    HB3  GLU  64           HB3      GLU  64   7.415  -2.338 -10.926
  524    HG2  GLU  64           HG2      GLU  64   6.753  -4.699 -11.760
  525    HG3  GLU  64           HG3      GLU  64   7.188  -4.092 -13.365
  526    H    SER  65           H        SER  65   3.004  -1.756 -11.992
  527    HA   SER  65           HA       SER  65   2.717  -2.875 -14.771
  528    HB2  SER  65           HB2      SER  65   0.822  -3.233 -12.424
  529    HB3  SER  65           HB3      SER  65   0.477  -3.696 -14.093
  530    HG   SER  65           HG       SER  65   2.651  -4.697 -12.543
  531    H    THR  66           H        THR  66   0.940  -1.935 -15.942
  532    HA   THR  66           HA       THR  66   0.852   0.945 -15.307
  533    HB   THR  66           HB       THR  66   0.472  -0.443 -17.993
  534    HG1  THR  66           HG1      THR  66   2.641  -0.147 -18.327
  535   HG21  THR  66          HG21      THR  66   1.254   2.451 -17.381
  536   HG22  THR  66          HG22      THR  66   1.100   1.725 -18.990
  537   HG23  THR  66          HG23      THR  66  -0.335   1.931 -17.985
  538    H    LEU  67           H        LEU  67  -0.985   2.112 -15.485
  539    HA   LEU  67           HA       LEU  67  -3.633   0.798 -15.839
  540    HB2  LEU  67           HB2      LEU  67  -2.367   1.827 -13.466
  541    HB3  LEU  67           HB3      LEU  67  -3.430   3.116 -14.015
  542    HG   LEU  67           HG       LEU  67  -5.320   1.492 -14.032
  543   HD11  LEU  67          HD11      LEU  67  -3.259  -0.271 -12.572
  544   HD12  LEU  67          HD12      LEU  67  -5.007  -0.611 -12.812
  545   HD13  LEU  67          HD13      LEU  67  -3.892  -0.603 -14.185
  546   HD21  LEU  67          HD21      LEU  67  -4.854   3.039 -12.155
  547   HD22  LEU  67          HD22      LEU  67  -5.555   1.495 -11.583
  548   HD23  LEU  67          HD23      LEU  67  -3.812   1.812 -11.398
  549    H    HIS  68           H        HIS  68  -5.339   2.717 -16.051
  550    HA   HIS  68           HA       HIS  68  -4.145   4.939 -17.679
  551    HB2  HIS  68           HB2      HIS  68  -6.392   3.046 -18.294
  552    HB3  HIS  68           HB3      HIS  68  -6.542   4.723 -18.816
  553    HD2  HIS  68           HD2      HIS  68  -6.497   4.202 -21.337
  554    HE1  HIS  68           HE1      HIS  68  -2.663   2.394 -21.634
  555    H    LEU  69           H        LEU  69  -5.035   7.054 -17.148
  556    HA   LEU  69           HA       LEU  69  -7.271   7.097 -15.134
  557    HB2  LEU  69           HB2      LEU  69  -5.200   8.135 -14.344
  558    HB3  LEU  69           HB3      LEU  69  -4.949   8.920 -15.890
  559    HG   LEU  69           HG       LEU  69  -5.442  10.380 -14.030
  560   HD11  LEU  69          HD11      LEU  69  -5.773  11.118 -16.406
  561   HD12  LEU  69          HD12      LEU  69  -7.500  10.817 -16.202
  562   HD13  LEU  69          HD13      LEU  69  -6.683  11.991 -15.183
  563   HD21  LEU  69          HD21      LEU  69  -8.329   9.499 -14.299
  564   HD22  LEU  69          HD22      LEU  69  -7.239   8.958 -13.003
  565   HD23  LEU  69          HD23      LEU  69  -7.591  10.696 -13.213
  566    H    VAL  70           H        VAL  70  -9.162   7.989 -15.887
  567    HA   VAL  70           HA       VAL  70  -8.985   9.826 -18.224
  568    HB   VAL  70           HB       VAL  70 -10.844   8.962 -19.308
  569   HG11  VAL  70          HG11      VAL  70  -8.760   7.472 -19.477
  570   HG12  VAL  70          HG12      VAL  70  -9.589   6.332 -18.432
  571   HG13  VAL  70          HG13      VAL  70 -10.313   6.773 -20.013
  572   HG21  VAL  70          HG21      VAL  70 -12.287   7.071 -18.560
  573   HG22  VAL  70          HG22      VAL  70 -11.361   7.084 -17.033
  574   HG23  VAL  70          HG23      VAL  70 -12.399   8.474 -17.499
  575    H    LEU  71           H        LEU  71 -10.895  11.237 -18.276
  576    HA   LEU  71           HA       LEU  71 -11.616  12.039 -15.505
  577    HB2  LEU  71           HB2      LEU  71 -10.326  13.582 -16.921
  578    HB3  LEU  71           HB3      LEU  71 -11.585  13.521 -18.152
  579    HG   LEU  71           HG       LEU  71 -11.312  15.553 -16.526
  580   HD11  LEU  71          HD11      LEU  71 -12.916  15.496 -18.296
  581   HD12  LEU  71          HD12      LEU  71 -13.978  14.386 -17.456
  582   HD13  LEU  71          HD13      LEU  71 -13.738  16.051 -16.841
  583   HD21  LEU  71          HD21      LEU  71 -12.676  15.574 -14.564
  584   HD22  LEU  71          HD22      LEU  71 -13.229  13.913 -14.801
  585   HD23  LEU  71          HD23      LEU  71 -11.541  14.229 -14.404
  586    H    ARG  72           H        ARG  72 -13.625  11.630 -14.968
  587    HA   ARG  72           HA       ARG  72 -15.686  11.228 -17.084
  588    HB2  ARG  72           HB2      ARG  72 -16.589   9.478 -16.019
  589    HB3  ARG  72           HB3      ARG  72 -14.907   9.291 -15.567
  590    HG2  ARG  72           HG2      ARG  72 -15.598   9.057 -13.429
  591    HG3  ARG  72           HG3      ARG  72 -16.005  10.776 -13.428
  592    HD2  ARG  72           HD2      ARG  72 -18.274  10.188 -14.342
  593    HD3  ARG  72           HD3      ARG  72 -17.850   8.480 -14.205
  594    HE   ARG  72           HE       ARG  72 -17.377   9.536 -11.659
  595   HH11  ARG  72          HH21      ARG  72 -20.267   9.712 -13.759
  596   HH12  ARG  72          HH22      ARG  72 -21.340   9.909 -12.403
  597   HH21  ARG  72          HH11      ARG  72 -18.874   9.423  -9.923
  598   HH22  ARG  72          HH12      ARG  72 -20.580   9.550 -10.272
  599    H    LEU  73           H        LEU  73 -14.767  13.671 -15.889
  600    HA   LEU  73           HA       LEU  73 -15.500  15.649 -15.229
  601    HB2  LEU  73           HB2      LEU  73 -17.387  16.416 -16.701
  602    HB3  LEU  73           HB3      LEU  73 -15.954  15.773 -17.437
  603    HG   LEU  73           HG       LEU  73 -17.906  15.192 -18.641
  604   HD11  LEU  73          HD11      LEU  73 -15.916  13.338 -18.168
  605   HD12  LEU  73          HD12      LEU  73 -17.449  12.406 -18.067
  606   HD13  LEU  73          HD13      LEU  73 -17.043  13.375 -19.462
  607   HD21  LEU  73          HD21      LEU  73 -19.435  13.326 -17.498
  608   HD22  LEU  73          HD22      LEU  73 -18.914  14.081 -16.027
  609   HD23  LEU  73          HD23      LEU  73 -19.709  15.062 -17.277
  610    H    ARG  74           H        ARG  74 -17.846  13.381 -13.826
  611    HA   ARG  74           HA       ARG  74 -18.486  15.697 -12.015
  612    HB2  ARG  74           HB2      ARG  74 -20.499  13.961 -13.506
  613    HB3  ARG  74           HB3      ARG  74 -20.838  14.551 -11.896
  614    HG2  ARG  74           HG2      ARG  74 -21.836  16.233 -12.937
  615    HG3  ARG  74           HG3      ARG  74 -20.229  16.925 -12.887
  616    HD2  ARG  74           HD2      ARG  74 -21.184  17.297 -15.075
  617    HD3  ARG  74           HD3      ARG  74 -19.860  16.166 -15.234
  618    HE   ARG  74           HE       ARG  74 -21.324  14.486 -15.896
  619   HH11  ARG  74          HH21      ARG  74 -23.335  17.120 -14.569
  620   HH12  ARG  74          HH22      ARG  74 -24.790  16.523 -15.278
  621   HH21  ARG  74          HH11      ARG  74 -23.155  13.829 -16.974
  622   HH22  ARG  74          HH12      ARG  74 -24.704  14.552 -16.632
  623    H    GLY  75           H        GLY  75 -18.918  15.138  -9.928
  624    HA2  GLY  75           HA2      GLY  75 -18.336  12.360  -9.080
  625    HA3  GLY  75           HA3      GLY  75 -18.460  13.800  -8.044
  626    H    GLY  76           H        GLY  76 -20.405  11.905 -10.394
  627    HA2  GLY  76           HA2      GLY  76 -22.734  11.773  -8.634
  628    HA3  GLY  76           HA3      GLY  76 -22.955  12.766 -10.096
  629    H1   GLY  -3           H1       GLY  -3 -10.001  26.798 -15.738
  630    H2   GLY  -3           H2       GLY  -3 -11.568  26.320 -15.589
  631    H3   GLY  -3           H3       GLY  -3 -11.135  27.353 -16.784
  632    HA2  GLY  -3           HA2      GLY  -3  -9.787  25.666 -17.848
  633    HA3  GLY  -3           HA3      GLY  -3 -10.242  24.550 -16.550
  634    H    HIS  -2           H        HIS  -2 -10.800  23.436 -18.776
  635    HA   HIS  -2           HA       HIS  -2 -13.713  23.665 -19.226
  636    HB2  HIS  -2           HB2      HIS  -2 -11.613  23.590 -21.444
  637    HB3  HIS  -2           HB3      HIS  -2 -13.350  23.471 -21.676
  638    HD2  HIS  -2           HD2      HIS  -2 -10.593  25.997 -21.494
  639    HE1  HIS  -2           HE1      HIS  -2 -14.182  28.291 -21.241
  640    H    MET  -1           H        MET  -1 -14.486  21.667 -20.373
  641    HA   MET  -1           HA       MET  -1 -13.265  19.247 -19.317
  642    HB2  MET  -1           HB2      MET  -1 -15.504  19.671 -21.350
  643    HB3  MET  -1           HB3      MET  -1 -15.044  18.113 -20.658
  644    HG2  MET  -1           HG2      MET  -1 -16.105  20.500 -19.101
  645    HG3  MET  -1           HG3      MET  -1 -17.004  19.052 -19.541
  646    HE1  MET  -1           HE1      MET  -1 -17.799  18.912 -17.017
  647    HE2  MET  -1           HE2      MET  -1 -16.686  18.833 -15.633
  648    HE3  MET  -1           HE3      MET  -1 -16.805  20.320 -16.590
  649    H    PHE 679           H        PHE 679 -12.511  17.439 -20.698
  650    HA   PHE 679           HA       PHE 679 -10.781  16.724 -21.942
  651    HB2  PHE 679           HB2      PHE 679 -12.452  16.388 -23.479
  652    HB3  PHE 679           HB3      PHE 679 -12.464  18.049 -24.058
  653    HD1  PHE 679           HD1      PHE 679 -10.446  14.929 -23.918
  654    HD2  PHE 679           HD2      PHE 679 -11.112  18.653 -25.946
  655    HE1  PHE 679           HE1      PHE 679  -9.000  14.158 -25.805
  656    HE2  PHE 679           HE2      PHE 679  -9.644  17.916 -27.806
  657    HZ   PHE 679           HZ       PHE 679  -8.596  15.658 -27.748
  658    HA   PRO 680           HA       PRO 680  -8.322  20.676 -21.606
  659    HB2  PRO 680           HB2      PRO 680  -7.099  20.239 -19.224
  660    HB3  PRO 680           HB3      PRO 680  -8.794  20.809 -19.280
  661    HG2  PRO 680           HG2      PRO 680  -7.846  17.915 -19.099
  662    HG3  PRO 680           HG3      PRO 680  -8.920  18.776 -17.940
  663    HD2  PRO 680           HD2      PRO 680  -9.892  17.267 -19.946
  664    HD3  PRO 680           HD3      PRO 680 -10.662  18.827 -19.515
  665    H    SER 681           H        SER 681  -5.780  20.511 -21.090
  666    HA   SER 681           HA       SER 681  -4.415  18.648 -22.647
  667    HB2  SER 681           HB2      SER 681  -3.336  20.199 -20.260
  668    HB3  SER 681           HB3      SER 681  -2.454  19.692 -21.715
  669    HG   SER 681           HG       SER 681  -3.065  21.910 -21.816
  670    H    ASP 682           H        ASP 682  -6.142  17.494 -20.255
  671    HA   ASP 682           HA       ASP 682  -4.226  15.620 -18.966
  672    HB2  ASP 682           HB2      ASP 682  -6.221  16.675 -17.746
  673    HB3  ASP 682           HB3      ASP 682  -7.232  15.747 -18.884
  674    H    ILE 683           H        ILE 683  -5.791  15.920 -21.912
  675    HA   ILE 683           HA       ILE 683  -6.005  12.986 -22.212
  676    HB   ILE 683           HB       ILE 683  -7.925  14.847 -23.530
  677   HG12  ILE 683          HG12      ILE 683  -8.238  15.515 -21.131
  678   HG13  ILE 683          HG13      ILE 683  -9.617  14.752 -21.860
  679   HG21  ILE 683          HG21      ILE 683  -9.290  12.961 -23.623
  680   HG22  ILE 683          HG22      ILE 683  -7.662  12.381 -24.028
  681   HG23  ILE 683          HG23      ILE 683  -8.333  12.115 -22.399
  682   HD11  ILE 683          HD11      ILE 683  -9.250  14.143 -19.503
  683   HD12  ILE 683          HD12      ILE 683  -9.419  12.780 -20.593
  684   HD13  ILE 683          HD13      ILE 683  -7.820  13.210 -19.972
  685    H    ASP 684           H        ASP 684  -5.308  12.219 -24.200
  686    HA   ASP 684           HA       ASP 684  -4.523  14.020 -26.392
  687    HB2  ASP 684           HB2      ASP 684  -2.470  13.730 -25.088
  688    HB3  ASP 684           HB3      ASP 684  -2.682  11.982 -25.009
  689    HA   PRO 685           HA       PRO 685  -6.823  10.946 -28.575
  690    HB2  PRO 685           HB2      PRO 685  -4.646  11.184 -30.660
  691    HB3  PRO 685           HB3      PRO 685  -6.422  11.096 -30.890
  692    HG2  PRO 685           HG2      PRO 685  -5.189  13.493 -30.943
  693    HG3  PRO 685           HG3      PRO 685  -6.726  13.304 -30.039
  694    HD2  PRO 685           HD2      PRO 685  -3.914  13.403 -28.960
  695    HD3  PRO 685           HD3      PRO 685  -5.419  14.111 -28.300
  696    H    GLN 686           H        GLN 686  -3.267  10.297 -28.316
  697    HA   GLN 686           HA       GLN 686  -3.413   7.662 -29.421
  698    HB2  GLN 686           HB2      GLN 686  -1.393   8.913 -27.506
  699    HB3  GLN 686           HB3      GLN 686  -1.154   7.389 -28.362
  700    HG2  GLN 686           HG2      GLN 686  -1.078   8.448 -30.497
  701    HG3  GLN 686           HG3      GLN 686  -1.751   9.955 -29.895
  702   HE21  GLN 686          HE22      GLN 686  -0.463  11.160 -28.222
  703   HE22  GLN 686          HE21      GLN 686   1.291  11.183 -28.422
  704    H    VAL 687           H        VAL 687  -3.166   8.700 -25.954
  705    HA   VAL 687           HA       VAL 687  -3.577   6.057 -24.925
  706    HB   VAL 687           HB       VAL 687  -4.373   8.584 -23.499
  707   HG11  VAL 687          HG11      VAL 687  -3.351   5.852 -22.621
  708   HG12  VAL 687          HG12      VAL 687  -3.559   7.249 -21.503
  709   HG13  VAL 687          HG13      VAL 687  -4.929   6.524 -22.338
  710   HG21  VAL 687          HG21      VAL 687  -1.563   7.608 -24.036
  711   HG22  VAL 687          HG22      VAL 687  -2.249   9.243 -24.242
  712   HG23  VAL 687          HG23      VAL 687  -1.985   8.620 -22.625
  713    H    PHE 688           H        PHE 688  -5.693   8.646 -26.007
  714    HA   PHE 688           HA       PHE 688  -7.995   7.786 -24.562
  715    HB2  PHE 688           HB2      PHE 688  -7.508   9.954 -25.104
  716    HB3  PHE 688           HB3      PHE 688  -7.485   9.642 -26.848
  717    HD1  PHE 688           HD2      PHE 688 -10.098   8.659 -24.283
  718    HD2  PHE 688           HD1      PHE 688  -9.191  10.756 -27.946
  719    HE1  PHE 688           HE2      PHE 688 -12.499   9.117 -24.620
  720    HE2  PHE 688           HE1      PHE 688 -11.606  11.185 -28.285
  721    HZ   PHE 688           HZ       PHE 688 -13.260  10.363 -26.623
  722    H    TYR 689           H        TYR 689  -6.627   7.039 -27.802
  723    HA   TYR 689           HA       TYR 689  -8.772   5.216 -28.526
  724    HB2  TYR 689           HB2      TYR 689  -5.926   5.532 -29.533
  725    HB3  TYR 689           HB3      TYR 689  -7.183   4.578 -30.322
  726    HD1  TYR 689           HD2      TYR 689  -9.403   6.912 -29.784
  727    HD2  TYR 689           HD1      TYR 689  -5.481   6.727 -31.598
  728    HE1  TYR 689           HE2      TYR 689  -9.946   8.881 -31.144
  729    HE2  TYR 689           HE1      TYR 689  -6.032   8.706 -32.977
  730    HH   TYR 689           HH       TYR 689  -9.210  10.396 -32.764
  731    H    GLU 690           H        GLU 690  -5.823   4.970 -26.614
  732    HA   GLU 690           HA       GLU 690  -5.368   2.162 -26.634
  733    HB2  GLU 690           HB2      GLU 690  -3.974   4.222 -25.957
  734    HB3  GLU 690           HB3      GLU 690  -4.687   3.967 -24.366
  735    HG2  GLU 690           HG2      GLU 690  -3.703   1.685 -24.345
  736    HG3  GLU 690           HG3      GLU 690  -3.076   1.949 -25.973
  737    H    LEU 691           H        LEU 691  -8.238   3.422 -25.710
  738    HA   LEU 691           HA       LEU 691  -8.703   1.473 -23.511
  739    HB2  LEU 691           HB2      LEU 691  -9.492   3.108 -22.076
  740    HB3  LEU 691           HB3      LEU 691  -8.185   3.902 -22.857
  741    HG   LEU 691           HG       LEU 691 -10.283   4.707 -24.483
  742   HD11  LEU 691          HD11      LEU 691 -12.111   5.442 -22.954
  743   HD12  LEU 691          HD12      LEU 691 -12.065   3.700 -23.181
  744   HD13  LEU 691          HD13      LEU 691 -11.434   4.411 -21.692
  745   HD21  LEU 691          HD21      LEU 691  -9.382   5.810 -21.780
  746   HD22  LEU 691          HD22      LEU 691  -8.581   6.107 -23.335
  747   HD23  LEU 691          HD23      LEU 691 -10.204   6.783 -23.035
  748    HA   PRO 692           HA       PRO 692 -12.150   0.100 -25.653
  749    HB2  PRO 692           HB2      PRO 692 -14.351   0.021 -24.003
  750    HB3  PRO 692           HB3      PRO 692 -12.888  -0.962 -23.693
  751    HG2  PRO 692           HG2      PRO 692 -13.452   1.825 -22.606
  752    HG3  PRO 692           HG3      PRO 692 -13.180   0.320 -21.636
  753    HD2  PRO 692           HD2      PRO 692 -11.144   1.882 -22.113
  754    HD3  PRO 692           HD3      PRO 692 -10.930   0.158 -22.512
  755    H    GLU 693           H        GLU 693 -13.623   0.789 -27.202
  756    HA   GLU 693           HA       GLU 693 -14.156   3.494 -27.640
  757    HB2  GLU 693           HB2      GLU 693 -15.814   2.746 -29.267
  758    HB3  GLU 693           HB3      GLU 693 -14.305   1.835 -29.378
  759    HG2  GLU 693           HG2      GLU 693 -15.406  -0.058 -28.154
  760    HG3  GLU 693           HG3      GLU 693 -16.918   0.856 -28.150
  761    H    ALA 694           H        ALA 694 -16.074   1.156 -25.803
  762    HA   ALA 694           HA       ALA 694 -18.452   2.598 -25.503
  763    HB1  ALA 694           HB1      ALA 694 -18.739   1.080 -23.536
  764    HB2  ALA 694           HB2      ALA 694 -18.086   0.229 -24.963
  765    HB3  ALA 694           HB3      ALA 694 -17.002   0.677 -23.627
  766    H    VAL 695           H        VAL 695 -15.565   2.575 -23.323
  767    HA   VAL 695           HA       VAL 695 -16.788   4.572 -21.581
  768    HB   VAL 695           HB       VAL 695 -13.877   3.742 -21.684
  769   HG11  VAL 695          HG11      VAL 695 -14.019   5.762 -20.416
  770   HG12  VAL 695          HG12      VAL 695 -15.572   5.297 -19.685
  771   HG13  VAL 695          HG13      VAL 695 -14.090   4.482 -19.188
  772   HG21  VAL 695          HG21      VAL 695 -15.424   1.775 -21.186
  773   HG22  VAL 695          HG22      VAL 695 -14.352   2.215 -19.849
  774   HG23  VAL 695          HG23      VAL 695 -16.062   2.701 -19.814
  775    H    GLN 696           H        GLN 696 -14.643   4.623 -24.478
  776    HA   GLN 696           HA       GLN 696 -13.995   7.363 -24.174
  777    HB2  GLN 696           HB2      GLN 696 -14.408   5.778 -26.753
  778    HB3  GLN 696           HB3      GLN 696 -13.770   7.411 -26.686
  779    HG2  GLN 696           HG2      GLN 696 -11.781   6.654 -25.466
  780    HG3  GLN 696           HG3      GLN 696 -12.443   5.027 -25.369
  781   HE21  GLN 696          HE22      GLN 696 -11.357   3.698 -26.823
  782   HE22  GLN 696          HE21      GLN 696 -11.091   4.091 -28.501
  783    H    LYS 697           H        LYS 697 -16.852   5.740 -25.721
  784    HA   LYS 697           HA       LYS 697 -18.191   8.092 -26.633
  785    HB2  LYS 697           HB2      LYS 697 -19.119   5.318 -25.844
  786    HB3  LYS 697           HB3      LYS 697 -20.299   6.604 -25.880
  787    HG2  LYS 697           HG2      LYS 697 -20.569   5.717 -27.920
  788    HG3  LYS 697           HG3      LYS 697 -19.570   7.100 -28.290
  789    HD2  LYS 697           HD2      LYS 697 -18.410   4.316 -27.876
  790    HD3  LYS 697           HD3      LYS 697 -19.129   4.753 -29.401
  791    HE2  LYS 697           HE2      LYS 697 -16.910   6.451 -28.196
  792    HE3  LYS 697           HE3      LYS 697 -16.554   4.999 -29.125
  793    HZ1  LYS 697           HZ1      LYS 697 -18.095   7.306 -30.215
  794    HZ2  LYS 697           HZ2      LYS 697 -16.535   6.939 -30.567
  795    HZ3  LYS 697           HZ3      LYS 697 -17.730   5.934 -31.022
  796    H    GLU 698           H        GLU 698 -18.134   6.569 -23.408
  797    HA   GLU 698           HA       GLU 698 -20.019   8.255 -22.119
  798    HB2  GLU 698           HB2      GLU 698 -18.473   6.220 -21.144
  799    HB3  GLU 698           HB3      GLU 698 -17.457   7.553 -20.611
  800    HG2  GLU 698           HG2      GLU 698 -18.710   7.553 -18.791
  801    HG3  GLU 698           HG3      GLU 698 -19.827   8.518 -19.737
  802    H    LEU 699           H        LEU 699 -16.525   8.524 -22.406
  803    HA   LEU 699           HA       LEU 699 -16.135  10.959 -21.037
  804    HB2  LEU 699           HB2      LEU 699 -14.626   9.249 -23.012
  805    HB3  LEU 699           HB3      LEU 699 -13.989  10.813 -22.673
  806    HG   LEU 699           HG       LEU 699 -13.357  10.306 -20.539
  807   HD11  LEU 699          HD11      LEU 699 -15.330   8.027 -20.282
  808   HD12  LEU 699          HD12      LEU 699 -14.164   8.556 -19.061
  809   HD13  LEU 699          HD13      LEU 699 -15.462   9.639 -19.513
  810   HD21  LEU 699          HD21      LEU 699 -12.116   8.926 -22.120
  811   HD22  LEU 699          HD22      LEU 699 -12.330   8.020 -20.623
  812   HD23  LEU 699          HD23      LEU 699 -13.340   7.632 -22.000
  813    H    LEU 700           H        LEU 700 -16.036  10.500 -24.612
  814    HA   LEU 700           HA       LEU 700 -15.723  13.268 -25.064
  815    HB2  LEU 700           HB2      LEU 700 -16.165  12.834 -27.419
  816    HB3  LEU 700           HB3      LEU 700 -15.039  11.700 -26.710
  817    HG   LEU 700           HG       LEU 700 -17.410  10.353 -26.366
  818   HD11  LEU 700          HD11      LEU 700 -17.668  11.634 -29.112
  819   HD12  LEU 700          HD12      LEU 700 -18.749  10.428 -28.364
  820   HD13  LEU 700          HD13      LEU 700 -18.665  12.070 -27.718
  821   HD21  LEU 700          HD21      LEU 700 -16.718   8.929 -28.228
  822   HD22  LEU 700          HD22      LEU 700 -15.641  10.219 -28.840
  823   HD23  LEU 700          HD23      LEU 700 -15.322   9.431 -27.280
  824    H    ALA 701           H        ALA 701 -18.745  11.327 -24.925
  825    HA   ALA 701           HA       ALA 701 -20.344  13.432 -26.042
  826    HB1  ALA 701           HB1      ALA 701 -21.097  11.049 -24.270
  827    HB2  ALA 701           HB2      ALA 701 -22.238  12.051 -25.200
  828    HB3  ALA 701           HB3      ALA 701 -21.026  11.057 -26.044
  829    H    GLU 702           H        GLU 702 -19.693  12.373 -22.643
  830    HA   GLU 702           HA       GLU 702 -21.146  14.521 -21.400
  831    HB2  GLU 702           HB2      GLU 702 -18.729  12.861 -20.574
  832    HB3  GLU 702           HB3      GLU 702 -19.528  14.040 -19.553
  833    HG2  GLU 702           HG2      GLU 702 -20.856  11.537 -20.601
  834    HG3  GLU 702           HG3      GLU 702 -20.037  11.698 -19.032
  835    H    TRP 703           H        TRP 703 -17.708  14.230 -22.502
  836    HA   TRP 703           HA       TRP 703 -16.854  16.524 -21.150
  837    HB2  TRP 703           HB2      TRP 703 -15.934  15.313 -23.800
  838    HB3  TRP 703           HB3      TRP 703 -15.082  16.626 -23.035
  839    HD1  TRP 703           HD1      TRP 703 -15.435  14.819 -20.038
  840    HE1  TRP 703           HE1      TRP 703 -13.752  12.934 -19.678
  841    HE3  TRP 703           HE3      TRP 703 -13.667  14.322 -24.818
  842    HZ2  TRP 703           HZ2      TRP 703 -11.517  11.720 -21.139
  843    HZ3  TRP 703           HZ3      TRP 703 -11.883  12.690 -25.313
  844    HH2  TRP 703           HH2      TRP 703 -10.842  11.370 -23.498
  845    H    LYS 704           H        LYS 704 -18.045  16.166 -24.549
  846    HA   LYS 704           HA       LYS 704 -17.986  19.022 -24.991
  847    HB2  LYS 704           HB2      LYS 704 -18.959  18.563 -27.149
  848    HB3  LYS 704           HB3      LYS 704 -17.668  17.432 -26.789
  849    HG2  LYS 704           HG2      LYS 704 -19.108  15.927 -27.615
  850    HG3  LYS 704           HG3      LYS 704 -19.698  15.910 -25.962
  851    HD2  LYS 704           HD2      LYS 704 -21.493  17.569 -26.646
  852    HD3  LYS 704           HD3      LYS 704 -20.904  17.405 -28.324
  853    HE2  LYS 704           HE2      LYS 704 -21.152  14.889 -28.063
  854    HE3  LYS 704           HE3      LYS 704 -21.907  15.171 -26.494
  855    HZ1  LYS 704           HZ1      LYS 704 -22.967  16.111 -29.125
  856    HZ2  LYS 704           HZ2      LYS 704 -23.586  14.891 -28.245
  857    HZ3  LYS 704           HZ3      LYS 704 -23.685  16.424 -27.691
  858    H    ARG 705           H        ARG 705 -20.557  16.825 -23.761
  859    HA   ARG 705           HA       ARG 705 -22.634  18.835 -24.019
  860    HB2  ARG 705           HB2      ARG 705 -22.346  16.271 -22.390
  861    HB3  ARG 705           HB3      ARG 705 -23.643  17.419 -22.021
  862    HG2  ARG 705           HG2      ARG 705 -24.243  17.372 -24.499
  863    HG3  ARG 705           HG3      ARG 705 -23.185  15.971 -24.641
  864    HD2  ARG 705           HD2      ARG 705 -25.715  16.268 -22.959
  865    HD3  ARG 705           HD3      ARG 705 -25.494  15.272 -24.409
  866    HE   ARG 705           HE       ARG 705 -23.710  14.566 -22.196
  867   HH11  ARG 705          HH21      ARG 705 -26.929  13.988 -23.605
  868   HH12  ARG 705          HH22      ARG 705 -27.203  12.533 -22.714
  869   HH21  ARG 705          HH11      ARG 705 -24.131  12.725 -20.928
  870   HH22  ARG 705          HH12      ARG 705 -25.557  11.766 -21.197
  871    H    THR 706           H        THR 706 -20.508  17.931 -21.280
  872    HA   THR 706           HA       THR 706 -21.779  19.964 -19.637
  873    HB   THR 706           HB       THR 706 -20.252  19.154 -17.870
  874    HG1  THR 706           HG1      THR 706 -19.270  17.323 -19.829
  875   HG21  THR 706          HG21      THR 706 -21.107  16.896 -17.668
  876   HG22  THR 706          HG22      THR 706 -22.386  17.947 -18.299
  877   HG23  THR 706          HG23      THR 706 -21.525  16.828 -19.387
  878    H    GLY 707           H        GLY 707 -18.983  19.814 -21.685
  879    HA2  GLY 707           HA2      GLY 707 -17.238  21.717 -20.812
  880    HA3  GLY 707           HA3      GLY 707 -17.661  21.399 -22.501
  Start of MODEL    4
    1    H1   MET   1           H1       MET   1   3.395  -1.466  -2.833
    2    H2   MET   1           H2       MET   1   4.532  -2.606  -2.495
    3    H3   MET   1           H3       MET   1   4.918  -1.010  -2.499
    4    HA   MET   1           HA       MET   1   5.800  -1.989  -4.467
    5    HB2  MET   1           HB2      MET   1   4.479  -2.971  -6.151
    6    HB3  MET   1           HB3      MET   1   4.200  -3.880  -4.669
    7    HG2  MET   1           HG2      MET   1   1.962  -2.618  -4.529
    8    HG3  MET   1           HG3      MET   1   2.337  -1.971  -6.139
    9    HE1  MET   1           HE1      MET   1   0.568  -3.038  -7.838
   10    HE2  MET   1           HE2      MET   1  -0.234  -4.583  -7.453
   11    HE3  MET   1           HE3      MET   1  -0.357  -3.227  -6.323
   12    H    GLN   2           H        GLN   2   5.235  -1.113  -6.933
   13    HA   GLN   2           HA       GLN   2   3.811   1.486  -6.648
   14    HB2  GLN   2           HB2      GLN   2   5.477   2.655  -7.681
   15    HB3  GLN   2           HB3      GLN   2   6.397   1.570  -6.645
   16    HG2  GLN   2           HG2      GLN   2   5.983   1.193  -9.656
   17    HG3  GLN   2           HG3      GLN   2   7.366   1.960  -8.900
   18   HE21  GLN   2          HE22      GLN   2   9.098   0.547  -9.309
   19   HE22  GLN   2          HE21      GLN   2   9.047  -1.157  -8.924
   20    H    ILE   3           H        ILE   3   2.836   2.304  -8.596
   21    HA   ILE   3           HA       ILE   3   2.795   0.472 -10.999
   22    HB   ILE   3           HB       ILE   3   0.327   0.751 -11.160
   23   HG12  ILE   3          HG12      ILE   3   0.302   1.458  -8.200
   24   HG13  ILE   3          HG13      ILE   3   0.402   2.703  -9.417
   25   HG21  ILE   3          HG21      ILE   3  -0.203  -1.153  -9.716
   26   HG22  ILE   3          HG22      ILE   3   1.430  -1.365 -10.356
   27   HG23  ILE   3          HG23      ILE   3   1.209  -0.851  -8.683
   28   HD11  ILE   3          HD11      ILE   3  -1.623   1.989 -10.485
   29   HD12  ILE   3          HD12      ILE   3  -1.847   0.692  -9.274
   30   HD13  ILE   3          HD13      ILE   3  -1.880   2.408  -8.774
   31    H    PHE   4           H        PHE   4   1.969   1.486 -12.851
   32    HA   PHE   4           HA       PHE   4   2.718   4.369 -12.863
   33    HB2  PHE   4           HB2      PHE   4   2.812   2.558 -15.271
   34    HB3  PHE   4           HB3      PHE   4   3.679   4.045 -14.915
   35    HD1  PHE   4           HD2      PHE   4   5.081   3.797 -12.570
   36    HD2  PHE   4           HD1      PHE   4   4.168   0.614 -15.302
   37    HE1  PHE   4           HE2      PHE   4   6.962   2.467 -11.653
   38    HE2  PHE   4           HE1      PHE   4   6.197  -0.599 -14.534
   39    HZ   PHE   4           HZ       PHE   4   7.596   0.308 -12.725
   40    H    VAL   5           H        VAL   5   0.739   5.448 -12.761
   41    HA   VAL   5           HA       VAL   5  -1.521   4.400 -14.412
   42    HB   VAL   5           HB       VAL   5  -1.482   6.691 -12.442
   43   HG11  VAL   5          HG11      VAL   5  -3.806   5.288 -13.860
   44   HG12  VAL   5          HG12      VAL   5  -3.937   6.495 -12.558
   45   HG13  VAL   5          HG13      VAL   5  -3.221   6.941 -14.115
   46   HG21  VAL   5          HG21      VAL   5  -2.622   5.152 -10.930
   47   HG22  VAL   5          HG22      VAL   5  -2.565   3.860 -12.115
   48   HG23  VAL   5          HG23      VAL   5  -1.070   4.423 -11.406
   49    H    LYS   6           H        LYS   6  -1.143   4.827 -16.550
   50    HA   LYS   6           HA       LYS   6   0.066   7.330 -17.472
   51    HB2  LYS   6           HB2      LYS   6   0.039   5.048 -18.702
   52    HB3  LYS   6           HB3      LYS   6  -1.659   5.391 -19.060
   53    HG2  LYS   6           HG2      LYS   6  -0.709   7.738 -19.943
   54    HG3  LYS   6           HG3      LYS   6   0.844   6.893 -19.905
   55    HD2  LYS   6           HD2      LYS   6  -0.449   5.028 -21.210
   56    HD3  LYS   6           HD3      LYS   6  -1.623   6.343 -21.577
   57    HE2  LYS   6           HE2      LYS   6   0.000   7.622 -22.731
   58    HE3  LYS   6           HE3      LYS   6   1.356   6.680 -22.100
   59    HZ1  LYS   6           HZ1      LYS   6   1.016   5.013 -23.612
   60    HZ2  LYS   6           HZ2      LYS   6  -0.601   5.170 -23.690
   61    HZ3  LYS   6           HZ3      LYS   6   0.353   6.206 -24.528
   62    H    THR   7           H        THR   7  -1.087   9.282 -17.417
   63    HA   THR   7           HA       THR   7  -3.975   9.063 -17.189
   64    HB   THR   7           HB       THR   7  -3.900  11.480 -17.138
   65    HG1  THR   7           HG1      THR   7  -1.754  12.415 -17.107
   66   HG21  THR   7          HG21      THR   7  -2.450   9.768 -15.187
   67   HG22  THR   7          HG22      THR   7  -2.122  11.510 -15.081
   68   HG23  THR   7          HG23      THR   7  -3.789  10.921 -15.006
   69    H    LEU   8           H        LEU   8  -5.368  10.365 -18.559
   70    HA   LEU   8           HA       LEU   8  -5.014   9.513 -21.270
   71    HB2  LEU   8           HB2      LEU   8  -6.921  11.592 -20.189
   72    HB3  LEU   8           HB3      LEU   8  -6.795  11.097 -21.883
   73    HG   LEU   8           HG       LEU   8  -7.882   9.578 -19.596
   74   HD11  LEU   8          HD11      LEU   8  -8.852  10.063 -22.375
   75   HD12  LEU   8          HD12      LEU   8  -9.676   9.046 -21.164
   76   HD13  LEU   8          HD13      LEU   8  -9.463  10.764 -20.846
   77   HD21  LEU   8          HD21      LEU   8  -6.334   7.919 -20.465
   78   HD22  LEU   8          HD22      LEU   8  -7.924   7.496 -21.030
   79   HD23  LEU   8          HD23      LEU   8  -6.833   8.317 -22.157
   80    H    THR   9           H        THR   9  -3.563  12.307 -19.739
   81    HA   THR   9           HA       THR   9  -3.287  13.761 -22.245
   82    HB   THR   9           HB       THR   9  -3.348  15.121 -20.378
   83    HG1  THR   9           HG1      THR   9  -1.903  16.126 -21.427
   84   HG21  THR   9          HG21      THR   9  -1.236  13.534 -18.976
   85   HG22  THR   9          HG22      THR   9  -1.875  15.108 -18.438
   86   HG23  THR   9          HG23      THR   9  -2.965  13.740 -18.514
   87    H    GLY  10           H        GLY  10  -1.864  10.947 -20.931
   88    HA2  GLY  10           HA2      GLY  10  -0.087   9.707 -21.735
   89    HA3  GLY  10           HA3      GLY  10   0.434  11.075 -22.758
   90    H    LYS  11           H        LYS  11  -0.301  11.126 -19.181
   91    HA   LYS  11           HA       LYS  11   2.654  11.560 -18.735
   92    HB2  LYS  11           HB2      LYS  11   1.462  13.589 -18.227
   93    HB3  LYS  11           HB3      LYS  11   0.290  12.745 -17.221
   94    HG2  LYS  11           HG2      LYS  11   3.174  12.354 -16.550
   95    HG3  LYS  11           HG3      LYS  11   2.507  13.966 -16.258
   96    HD2  LYS  11           HD2      LYS  11   1.448  11.383 -15.065
   97    HD3  LYS  11           HD3      LYS  11   2.536  12.494 -14.251
   98    HE2  LYS  11           HE2      LYS  11  -0.292  13.163 -15.193
   99    HE3  LYS  11           HE3      LYS  11   0.158  12.722 -13.550
  100    HZ1  LYS  11           HZ1      LYS  11  -0.058  15.053 -13.767
  101    HZ2  LYS  11           HZ2      LYS  11   1.519  14.736 -13.424
  102    HZ3  LYS  11           HZ3      LYS  11   1.070  15.188 -14.949
  103    H    THR  12           H        THR  12   3.437   9.623 -17.954
  104    HA   THR  12           HA       THR  12   1.588   7.944 -16.429
  105    HB   THR  12           HB       THR  12   4.452   7.222 -16.567
  106    HG1  THR  12           HG1      THR  12   4.433   6.750 -18.751
  107   HG21  THR  12          HG21      THR  12   3.459   5.035 -16.985
  108   HG22  THR  12          HG22      THR  12   2.442   5.851 -15.753
  109   HG23  THR  12          HG23      THR  12   1.913   5.757 -17.470
  110    H    ILE  13           H        ILE  13   1.123   8.286 -14.461
  111    HA   ILE  13           HA       ILE  13   3.170   9.521 -12.698
  112    HB   ILE  13           HB       ILE  13   1.518  10.886 -12.438
  113   HG12  ILE  13          HG12      ILE  13   1.811   9.379 -10.223
  114   HG13  ILE  13          HG13      ILE  13   0.799  10.811 -10.339
  115   HG21  ILE  13          HG21      ILE  13  -0.194  10.155 -13.940
  116   HG22  ILE  13          HG22      ILE  13  -0.692   8.874 -12.826
  117   HG23  ILE  13          HG23      ILE  13  -0.897  10.614 -12.374
  118   HD11  ILE  13          HD11      ILE  13  -1.217   9.572 -10.361
  119   HD12  ILE  13          HD12      ILE  13  -0.334   8.043 -10.656
  120   HD13  ILE  13          HD13      ILE  13  -0.218   8.885  -9.096
  121    H    THR  14           H        THR  14   4.379   8.131 -11.724
  122    HA   THR  14           HA       THR  14   3.466   5.456 -11.161
  123    HB   THR  14           HB       THR  14   5.918   6.908 -10.184
  124    HG1  THR  14           HG1      THR  14   6.926   6.244 -12.038
  125   HG21  THR  14          HG21      THR  14   5.664   4.815  -8.964
  126   HG22  THR  14          HG22      THR  14   5.173   3.915 -10.404
  127   HG23  THR  14          HG23      THR  14   6.851   4.471 -10.225
  128    H    LEU  15           H        LEU  15   2.772   4.723  -9.092
  129    HA   LEU  15           HA       LEU  15   3.054   6.553  -6.815
  130    HB2  LEU  15           HB2      LEU  15   0.769   6.431  -6.155
  131    HB3  LEU  15           HB3      LEU  15   0.835   7.109  -7.795
  132    HG   LEU  15           HG       LEU  15   0.275   4.169  -7.620
  133   HD11  LEU  15          HD11      LEU  15  -1.095   5.106  -5.762
  134   HD12  LEU  15          HD12      LEU  15  -1.772   6.302  -6.906
  135   HD13  LEU  15          HD13      LEU  15  -2.093   4.571  -7.116
  136   HD21  LEU  15          HD21      LEU  15   0.364   5.310  -9.756
  137   HD22  LEU  15          HD22      LEU  15  -1.236   4.656  -9.312
  138   HD23  LEU  15          HD23      LEU  15  -0.930   6.407  -9.208
  139    H    GLU  16           H        GLU  16   2.583   5.473  -4.753
  140    HA   GLU  16           HA       GLU  16   3.340   2.647  -5.021
  141    HB2  GLU  16           HB2      GLU  16   3.858   4.706  -2.859
  142    HB3  GLU  16           HB3      GLU  16   3.980   2.970  -2.530
  143    HG2  GLU  16           HG2      GLU  16   5.550   2.692  -4.408
  144    HG3  GLU  16           HG3      GLU  16   5.485   4.423  -4.742
  145    H    VAL  17           H        VAL  17   2.198   1.134  -4.279
  146    HA   VAL  17           HA       VAL  17  -0.404   1.500  -2.885
  147    HB   VAL  17           HB       VAL  17  -1.595   0.347  -4.714
  148   HG11  VAL  17          HG11      VAL  17  -0.098   2.713  -5.880
  149   HG12  VAL  17          HG12      VAL  17  -1.671   2.069  -6.394
  150   HG13  VAL  17          HG13      VAL  17  -1.508   2.817  -4.796
  151   HG21  VAL  17          HG21      VAL  17  -0.508  -0.055  -6.904
  152   HG22  VAL  17          HG22      VAL  17   1.055   0.446  -6.244
  153   HG23  VAL  17          HG23      VAL  17   0.231  -1.015  -5.646
  154    H    GLU  18           H        GLU  18  -1.399  -0.999  -3.265
  155    HA   GLU  18           HA       GLU  18   0.665  -3.058  -2.773
  156    HB2  GLU  18           HB2      GLU  18  -1.865  -2.582  -1.120
  157    HB3  GLU  18           HB3      GLU  18  -0.939  -4.081  -1.086
  158    HG2  GLU  18           HG2      GLU  18   0.218  -1.373  -0.333
  159    HG3  GLU  18           HG3      GLU  18  -0.535  -2.474   0.802
  160    HA   PRO  19           HA       PRO  19  -2.069  -4.945  -5.824
  161    HB2  PRO  19           HB2      PRO  19  -2.173  -7.467  -4.216
  162    HB3  PRO  19           HB3      PRO  19  -1.698  -7.223  -5.936
  163    HG2  PRO  19           HG2      PRO  19   0.140  -7.712  -3.947
  164    HG3  PRO  19           HG3      PRO  19   0.485  -6.680  -5.362
  165    HD2  PRO  19           HD2      PRO  19  -0.158  -5.843  -2.547
  166    HD3  PRO  19           HD3      PRO  19   0.937  -5.086  -3.749
  167    H    SER  20           H        SER  20  -2.847  -5.189  -2.344
  168    HA   SER  20           HA       SER  20  -5.714  -5.647  -2.937
  169    HB2  SER  20           HB2      SER  20  -4.258  -5.683  -0.266
  170    HB3  SER  20           HB3      SER  20  -5.896  -6.271  -0.611
  171    HG   SER  20           HG       SER  20  -4.324  -7.984  -0.519
  172    H    ASP  21           H        ASP  21  -3.865  -3.040  -3.101
  173    HA   ASP  21           HA       ASP  21  -5.376  -1.357  -1.351
  174    HB2  ASP  21           HB2      ASP  21  -3.066  -0.804  -2.310
  175    HB3  ASP  21           HB3      ASP  21  -3.889  -0.486  -3.852
  176    H    THR  22           H        THR  22  -7.244  -0.252  -1.921
  177    HA   THR  22           HA       THR  22  -8.786  -1.460  -4.036
  178    HB   THR  22           HB       THR  22 -10.548   0.273  -3.316
  179    HG1  THR  22           HG1      THR  22 -10.145   0.972  -1.075
  180   HG21  THR  22          HG21      THR  22  -9.667  -1.884  -1.398
  181   HG22  THR  22          HG22      THR  22 -11.275  -1.087  -1.450
  182   HG23  THR  22          HG23      THR  22 -10.732  -2.053  -2.829
  183    H    ILE  23           H        ILE  23  -9.621  -0.528  -5.803
  184    HA   ILE  23           HA       ILE  23  -8.377   1.554  -7.201
  185    HB   ILE  23           HB       ILE  23 -11.303   0.807  -7.218
  186   HG12  ILE  23          HG12      ILE  23 -10.468  -1.214  -7.788
  187   HG13  ILE  23          HG13      ILE  23 -10.431  -0.442  -9.376
  188   HG21  ILE  23          HG21      ILE  23 -11.364   1.630  -9.540
  189   HG22  ILE  23          HG22      ILE  23 -10.890   2.927  -8.448
  190   HG23  ILE  23          HG23      ILE  23  -9.649   2.102  -9.409
  191   HD11  ILE  23          HD11      ILE  23  -8.429  -1.704  -9.082
  192   HD12  ILE  23          HD12      ILE  23  -7.994   0.029  -9.040
  193   HD13  ILE  23          HD13      ILE  23  -8.069  -0.936  -7.543
  194    H    GLU  24           H        GLU  24 -11.115   1.954  -4.797
  195    HA   GLU  24           HA       GLU  24 -11.453   4.700  -5.242
  196    HB2  GLU  24           HB2      GLU  24 -12.841   3.179  -3.697
  197    HB3  GLU  24           HB3      GLU  24 -11.545   3.275  -2.545
  198    HG2  GLU  24           HG2      GLU  24 -13.137   4.826  -1.807
  199    HG3  GLU  24           HG3      GLU  24 -11.841   5.798  -2.486
  200    H    ASN  25           H        ASN  25  -9.119   3.065  -3.058
  201    HA   ASN  25           HA       ASN  25  -8.158   5.593  -1.975
  202    HB2  ASN  25           HB2      ASN  25  -8.164   3.442  -0.700
  203    HB3  ASN  25           HB3      ASN  25  -6.973   2.812  -1.841
  204   HD21  ASN  25          HD22      ASN  25  -5.170   2.625  -0.592
  205   HD22  ASN  25          HD21      ASN  25  -4.489   3.896   0.430
  206    H    VAL  26           H        VAL  26  -7.131   3.336  -4.536
  207    HA   VAL  26           HA       VAL  26  -4.670   4.565  -5.249
  208    HB   VAL  26           HB       VAL  26  -6.813   2.991  -6.670
  209   HG11  VAL  26          HG11      VAL  26  -5.803   4.288  -8.405
  210   HG12  VAL  26          HG12      VAL  26  -4.163   3.862  -7.861
  211   HG13  VAL  26          HG13      VAL  26  -5.229   2.604  -8.537
  212   HG21  VAL  26          HG21      VAL  26  -5.316   1.895  -4.890
  213   HG22  VAL  26          HG22      VAL  26  -5.365   1.108  -6.461
  214   HG23  VAL  26          HG23      VAL  26  -3.970   2.129  -6.001
  215    H    LYS  27           H        LYS  27  -8.062   5.191  -6.569
  216    HA   LYS  27           HA       LYS  27  -7.270   7.394  -8.120
  217    HB2  LYS  27           HB2      LYS  27  -9.858   7.044  -6.501
  218    HB3  LYS  27           HB3      LYS  27  -9.613   8.316  -7.695
  219    HG2  LYS  27           HG2      LYS  27  -9.474   6.532  -9.474
  220    HG3  LYS  27           HG3      LYS  27  -9.958   5.352  -8.230
  221    HD2  LYS  27           HD2      LYS  27 -11.867   7.080  -7.681
  222    HD3  LYS  27           HD3      LYS  27 -11.466   7.795  -9.251
  223    HE2  LYS  27           HE2      LYS  27 -12.002   5.614 -10.331
  224    HE3  LYS  27           HE3      LYS  27 -12.431   4.961  -8.735
  225    HZ1  LYS  27           HZ1      LYS  27 -14.173   6.695  -8.549
  226    HZ2  LYS  27           HZ2      LYS  27 -13.784   7.336 -10.006
  227    HZ3  LYS  27           HZ3      LYS  27 -14.434   5.813  -9.901
  228    H    ALA  28           H        ALA  28  -7.959   7.314  -4.581
  229    HA   ALA  28           HA       ALA  28  -7.887  10.170  -4.248
  230    HB1  ALA  28           HB1      ALA  28  -8.828   8.622  -2.551
  231    HB2  ALA  28           HB2      ALA  28  -7.183   8.005  -2.212
  232    HB3  ALA  28           HB3      ALA  28  -7.587   9.695  -1.878
  233    H    LYS  29           H        LYS  29  -5.313   7.665  -4.342
  234    HA   LYS  29           HA       LYS  29  -3.182   9.512  -3.632
  235    HB2  LYS  29           HB2      LYS  29  -3.194   6.903  -5.182
  236    HB3  LYS  29           HB3      LYS  29  -1.725   7.826  -4.795
  237    HG2  LYS  29           HG2      LYS  29  -2.119   7.629  -2.427
  238    HG3  LYS  29           HG3      LYS  29  -3.729   6.926  -2.681
  239    HD2  LYS  29           HD2      LYS  29  -2.780   4.939  -3.697
  240    HD3  LYS  29           HD3      LYS  29  -1.131   5.602  -3.597
  241    HE2  LYS  29           HE2      LYS  29  -2.705   5.538  -1.050
  242    HE3  LYS  29           HE3      LYS  29  -2.274   3.950  -1.715
  243    HZ1  LYS  29           HZ1      LYS  29  -0.325   6.104  -1.046
  244    HZ2  LYS  29           HZ2      LYS  29  -0.550   4.716  -0.217
  245    HZ3  LYS  29           HZ3      LYS  29   0.067   4.651  -1.737
  246    H    ILE  30           H        ILE  30  -4.825   8.601  -6.707
  247    HA   ILE  30           HA       ILE  30  -3.065  10.222  -8.309
  248    HB   ILE  30           HB       ILE  30  -5.989   9.832  -8.963
  249   HG12  ILE  30          HG12      ILE  30  -5.326   7.629  -8.611
  250   HG13  ILE  30          HG13      ILE  30  -5.338   7.875 -10.342
  251   HG21  ILE  30          HG21      ILE  30  -3.490  10.714 -10.411
  252   HG22  ILE  30          HG22      ILE  30  -4.669   9.800 -11.340
  253   HG23  ILE  30          HG23      ILE  30  -5.159  11.306 -10.543
  254   HD11  ILE  30          HD11      ILE  30  -2.929   7.866 -10.389
  255   HD12  ILE  30          HD12      ILE  30  -2.831   7.982  -8.608
  256   HD13  ILE  30          HD13      ILE  30  -3.521   6.520  -9.347
  257    H    GLN  31           H        GLN  31  -5.979  11.089  -6.497
  258    HA   GLN  31           HA       GLN  31  -6.124  13.803  -7.297
  259    HB2  GLN  31           HB2      GLN  31  -7.813  12.620  -5.884
  260    HB3  GLN  31           HB3      GLN  31  -6.686  12.747  -4.531
  261    HG2  GLN  31           HG2      GLN  31  -6.845  15.395  -5.331
  262    HG3  GLN  31           HG3      GLN  31  -8.462  14.828  -5.687
  263   HE21  GLN  31          HE22      GLN  31  -9.855  14.149  -3.888
  264   HE22  GLN  31          HE21      GLN  31  -9.378  14.436  -2.234
  265    H    ASP  32           H        ASP  32  -4.061  12.176  -4.875
  266    HA   ASP  32           HA       ASP  32  -2.777  14.569  -3.983
  267    HB2  ASP  32           HB2      ASP  32  -2.745  12.452  -2.718
  268    HB3  ASP  32           HB3      ASP  32  -1.703  11.736  -3.935
  269    H    LYS  33           H        LYS  33  -2.214  12.496  -6.863
  270    HA   LYS  33           HA       LYS  33   0.295  13.962  -7.403
  271    HB2  LYS  33           HB2      LYS  33  -0.639  11.414  -8.629
  272    HB3  LYS  33           HB3      LYS  33   0.942  12.237  -8.755
  273    HG2  LYS  33           HG2      LYS  33   0.813  12.120  -6.072
  274    HG3  LYS  33           HG3      LYS  33  -0.309  10.809  -6.428
  275    HD2  LYS  33           HD2      LYS  33   1.851   9.908  -6.015
  276    HD3  LYS  33           HD3      LYS  33   1.483   9.678  -7.738
  277    HE2  LYS  33           HE2      LYS  33   2.945  11.608  -8.310
  278    HE3  LYS  33           HE3      LYS  33   3.244  11.899  -6.595
  279    HZ1  LYS  33           HZ1      LYS  33   5.046  10.653  -7.671
  280    HZ2  LYS  33           HZ2      LYS  33   4.396   9.787  -6.452
  281    HZ3  LYS  33           HZ3      LYS  33   4.039   9.398  -8.015
  282    H    GLU  34           H        GLU  34  -2.890  13.885  -8.572
  283    HA   GLU  34           HA       GLU  34  -2.192  15.431 -11.021
  284    HB2  GLU  34           HB2      GLU  34  -4.398  13.426 -10.357
  285    HB3  GLU  34           HB3      GLU  34  -4.601  14.569 -11.659
  286    HG2  GLU  34           HG2      GLU  34  -2.181  12.752 -11.549
  287    HG3  GLU  34           HG3      GLU  34  -3.708  12.274 -12.278
  288    H    GLY  35           H        GLY  35  -4.413  15.181  -8.259
  289    HA2  GLY  35           HA2      GLY  35  -5.233  17.070  -7.108
  290    HA3  GLY  35           HA3      GLY  35  -5.130  18.042  -8.576
  291    H    ILE  36           H        ILE  36  -6.532  14.857  -9.050
  292    HA   ILE  36           HA       ILE  36  -9.098  16.251  -9.613
  293    HB   ILE  36           HB       ILE  36  -7.982  13.586 -10.528
  294   HG12  ILE  36          HG12      ILE  36  -8.250  16.184 -12.146
  295   HG13  ILE  36          HG13      ILE  36  -6.737  15.677 -11.401
  296   HG21  ILE  36          HG21      ILE  36 -10.350  15.182 -11.640
  297   HG22  ILE  36          HG22      ILE  36  -9.852  13.546 -12.114
  298   HG23  ILE  36          HG23      ILE  36 -10.533  13.816 -10.524
  299   HD11  ILE  36          HD11      ILE  36  -6.840  13.542 -12.618
  300   HD12  ILE  36          HD12      ILE  36  -8.276  14.128 -13.497
  301   HD13  ILE  36          HD13      ILE  36  -6.724  14.968 -13.685
  302    HA   PRO  37           HA       PRO  37 -10.522  13.906  -6.029
  303    HB2  PRO  37           HB2      PRO  37 -13.293  14.370  -6.373
  304    HB3  PRO  37           HB3      PRO  37 -12.127  15.378  -5.455
  305    HG2  PRO  37           HG2      PRO  37 -13.367  15.911  -8.079
  306    HG3  PRO  37           HG3      PRO  37 -12.550  17.026  -6.950
  307    HD2  PRO  37           HD2      PRO  37 -11.467  15.892  -9.374
  308    HD3  PRO  37           HD3      PRO  37 -10.633  16.915  -8.171
  309    HA   PRO  38           HA       PRO  38 -11.274  10.037  -7.795
  310    HB2  PRO  38           HB2      PRO  38 -12.760   8.687  -5.927
  311    HB3  PRO  38           HB3      PRO  38 -10.985   8.979  -5.809
  312    HG2  PRO  38           HG2      PRO  38 -13.235  10.480  -4.462
  313    HG3  PRO  38           HG3      PRO  38 -11.657   9.987  -3.770
  314    HD2  PRO  38           HD2      PRO  38 -12.106  12.511  -4.668
  315    HD3  PRO  38           HD3      PRO  38 -10.516  11.708  -4.918
  316    H    ASP  39           H        ASP  39 -14.272  11.528  -6.539
  317    HA   ASP  39           HA       ASP  39 -15.891   9.722  -8.082
  318    HB2  ASP  39           HB2      ASP  39 -16.787  10.932  -6.125
  319    HB3  ASP  39           HB3      ASP  39 -16.535  12.479  -6.948
  320    H    GLN  40           H        GLN  40 -14.060  12.487  -8.870
  321    HA   GLN  40           HA       GLN  40 -15.532  13.057 -11.381
  322    HB2  GLN  40           HB2      GLN  40 -14.882  14.869  -9.914
  323    HB3  GLN  40           HB3      GLN  40 -13.201  14.347  -9.894
  324    HG2  GLN  40           HG2      GLN  40 -12.755  15.161 -12.006
  325    HG3  GLN  40           HG3      GLN  40 -14.431  15.116 -12.529
  326   HE21  GLN  40          HE22      GLN  40 -15.969  16.694 -11.431
  327   HE22  GLN  40          HE21      GLN  40 -15.335  18.276 -11.009
  328    H    GLN  41           H        GLN  41 -13.187  10.846 -10.424
  329    HA   GLN  41           HA       GLN  41 -11.607  10.935 -12.946
  330    HB2  GLN  41           HB2      GLN  41 -10.733  11.582 -10.616
  331    HB3  GLN  41           HB3      GLN  41 -11.131   9.970 -10.078
  332    HG2  GLN  41           HG2      GLN  41  -9.448   9.193 -11.911
  333    HG3  GLN  41           HG3      GLN  41  -8.898  10.885 -11.882
  334   HE21  GLN  41          HE22      GLN  41  -8.896  11.625  -9.127
  335   HE22  GLN  41          HE21      GLN  41  -8.013  10.426  -8.221
  336    H    ARG  42           H        ARG  42 -11.387   8.846 -14.054
  337    HA   ARG  42           HA       ARG  42 -12.630   6.533 -12.638
  338    HB2  ARG  42           HB2      ARG  42 -13.420   7.560 -15.187
  339    HB3  ARG  42           HB3      ARG  42 -12.460   6.080 -15.509
  340    HG2  ARG  42           HG2      ARG  42 -13.851   4.681 -14.679
  341    HG3  ARG  42           HG3      ARG  42 -14.440   5.770 -13.376
  342    HD2  ARG  42           HD2      ARG  42 -15.882   6.936 -15.018
  343    HD3  ARG  42           HD3      ARG  42 -15.302   5.857 -16.301
  344    HE   ARG  42           HE       ARG  42 -16.145   4.075 -14.374
  345   HH11  ARG  42          HH11      ARG  42 -17.976   6.736 -15.952
  346   HH12  ARG  42          HH12      ARG  42 -19.463   6.082 -15.542
  347   HH21  ARG  42          HH21      ARG  42 -18.144   3.156 -14.011
  348   HH22  ARG  42          HH22      ARG  42 -19.602   4.029 -14.344
  349    H    LEU  43           H        LEU  43 -11.684   4.431 -13.265
  350    HA   LEU  43           HA       LEU  43  -8.826   4.689 -14.036
  351    HB2  LEU  43           HB2      LEU  43  -9.843   4.011 -11.445
  352    HB3  LEU  43           HB3      LEU  43  -9.429   2.467 -12.176
  353    HG   LEU  43           HG       LEU  43  -7.161   3.259 -12.636
  354   HD11  LEU  43          HD11      LEU  43  -6.398   5.442 -11.487
  355   HD12  LEU  43          HD12      LEU  43  -7.419   5.708 -12.898
  356   HD13  LEU  43          HD13      LEU  43  -8.109   5.863 -11.280
  357   HD21  LEU  43          HD21      LEU  43  -6.400   3.350 -10.314
  358   HD22  LEU  43          HD22      LEU  43  -8.027   3.760  -9.734
  359   HD23  LEU  43          HD23      LEU  43  -7.696   2.159 -10.464
  360    H    ILE  44           H        ILE  44  -8.333   3.522 -15.623
  361    HA   ILE  44           HA       ILE  44  -9.930   1.105 -16.386
  362    HB   ILE  44           HB       ILE  44  -8.611   3.214 -18.195
  363   HG12  ILE  44          HG12      ILE  44 -11.517   2.542 -17.530
  364   HG13  ILE  44          HG13      ILE  44 -10.649   4.010 -17.084
  365   HG21  ILE  44          HG21      ILE  44 -10.228   0.801 -19.094
  366   HG22  ILE  44          HG22      ILE  44  -9.490   2.058 -20.103
  367   HG23  ILE  44          HG23      ILE  44  -8.432   0.960 -19.243
  368   HD11  ILE  44          HD11      ILE  44 -12.037   4.658 -18.724
  369   HD12  ILE  44          HD12      ILE  44 -10.460   4.546 -19.527
  370   HD13  ILE  44          HD13      ILE  44 -11.673   3.261 -19.789
  371    H    PHE  45           H        PHE  45  -8.695  -0.650 -17.214
  372    HA   PHE  45           HA       PHE  45  -5.732  -0.431 -16.970
  373    HB2  PHE  45           HB2      PHE  45  -6.435  -1.393 -14.833
  374    HB3  PHE  45           HB3      PHE  45  -7.559  -2.477 -15.652
  375    HD1  PHE  45           HD1      PHE  45  -3.920  -1.660 -16.121
  376    HD2  PHE  45           HD2      PHE  45  -6.895  -4.716 -15.603
  377    HE1  PHE  45           HE1      PHE  45  -2.136  -3.392 -16.177
  378    HE2  PHE  45           HE2      PHE  45  -5.118  -6.444 -15.525
  379    HZ   PHE  45           HZ       PHE  45  -2.742  -5.793 -15.828
  380    H    ALA  46           H        ALA  46  -5.046  -1.059 -18.949
  381    HA   ALA  46           HA       ALA  46  -4.977  -2.043 -20.962
  382    HB1  ALA  46           HB1      ALA  46  -5.600  -4.391 -19.113
  383    HB2  ALA  46           HB2      ALA  46  -4.739  -4.529 -20.674
  384    HB3  ALA  46           HB3      ALA  46  -4.005  -3.634 -19.322
  385    H    GLY  47           H        GLY  47  -7.466  -0.985 -20.687
  386    HA2  GLY  47           HA2      GLY  47  -9.086  -0.776 -22.340
  387    HA3  GLY  47           HA3      GLY  47  -8.851  -2.459 -22.828
  388    H    LYS  48           H        LYS  48  -9.244  -2.255 -19.383
  389    HA   LYS  48           HA       LYS  48 -12.205  -2.364 -19.610
  390    HB2  LYS  48           HB2      LYS  48 -12.400  -4.286 -18.287
  391    HB3  LYS  48           HB3      LYS  48 -11.219  -4.645 -19.537
  392    HG2  LYS  48           HG2      LYS  48  -9.386  -4.295 -17.822
  393    HG3  LYS  48           HG3      LYS  48 -10.635  -4.026 -16.600
  394    HD2  LYS  48           HD2      LYS  48  -9.867  -6.280 -16.403
  395    HD3  LYS  48           HD3      LYS  48 -11.518  -6.327 -17.034
  396    HE2  LYS  48           HE2      LYS  48 -10.601  -6.669 -19.343
  397    HE3  LYS  48           HE3      LYS  48  -8.956  -6.586 -18.694
  398    HZ1  LYS  48           HZ1      LYS  48  -9.695  -8.874 -19.011
  399    HZ2  LYS  48           HZ2      LYS  48  -9.428  -8.614 -17.421
  400    HZ3  LYS  48           HZ3      LYS  48 -10.963  -8.675 -18.006
  401    H    GLN  49           H        GLN  49 -13.257  -1.267 -18.136
  402    HA   GLN  49           HA       GLN  49 -11.988   0.704 -16.446
  403    HB2  GLN  49           HB2      GLN  49 -14.322   0.634 -17.633
  404    HB3  GLN  49           HB3      GLN  49 -14.821  -0.415 -16.295
  405    HG2  GLN  49           HG2      GLN  49 -14.031   1.576 -14.775
  406    HG3  GLN  49           HG3      GLN  49 -14.101   2.523 -16.265
  407   HE21  GLN  49          HE22      GLN  49 -16.460   1.421 -17.521
  408   HE22  GLN  49          HE21      GLN  49 -17.817   1.735 -16.476
  409    H    LEU  50           H        LEU  50 -11.883   0.736 -14.158
  410    HA   LEU  50           HA       LEU  50 -12.379  -1.854 -12.757
  411    HB2  LEU  50           HB2      LEU  50 -10.639   0.354 -11.660
  412    HB3  LEU  50           HB3      LEU  50 -10.711  -1.359 -11.240
  413    HG   LEU  50           HG       LEU  50  -9.399  -0.092 -13.654
  414   HD11  LEU  50          HD11      LEU  50  -8.225  -1.751 -11.399
  415   HD12  LEU  50          HD12      LEU  50  -7.338  -0.950 -12.704
  416   HD13  LEU  50          HD13      LEU  50  -8.175   0.033 -11.500
  417   HD21  LEU  50          HD21      LEU  50  -8.615  -2.762 -13.710
  418   HD22  LEU  50          HD22      LEU  50 -10.318  -2.878 -13.305
  419   HD23  LEU  50          HD23      LEU  50  -9.833  -2.022 -14.770
  420    H    GLU  51           H        GLU  51 -13.375  -1.573 -10.533
  421    HA   GLU  51           HA       GLU  51 -14.859   0.998 -10.335
  422    HB2  GLU  51           HB2      GLU  51 -16.776  -0.088  -9.515
  423    HB3  GLU  51           HB3      GLU  51 -16.299  -0.896 -11.016
  424    HG2  GLU  51           HG2      GLU  51 -15.218  -2.663  -9.676
  425    HG3  GLU  51           HG3      GLU  51 -15.814  -1.873  -8.191
  426    H    ASP  52           H        ASP  52 -15.399   1.695  -8.167
  427    HA   ASP  52           HA       ASP  52 -12.989   2.073  -6.807
  428    HB2  ASP  52           HB2      ASP  52 -14.097   3.457  -5.374
  429    HB3  ASP  52           HB3      ASP  52 -15.023   3.590  -6.862
  430    H    GLY  53           H        GLY  53 -15.566  -0.233  -6.161
  431    HA2  GLY  53           HA2      GLY  53 -14.681  -0.886  -3.491
  432    HA3  GLY  53           HA3      GLY  53 -15.959  -1.667  -4.435
  433    H    ARG  54           H        ARG  54 -12.991  -1.534  -6.170
  434    HA   ARG  54           HA       ARG  54 -12.424  -4.405  -5.548
  435    HB2  ARG  54           HB2      ARG  54 -12.364  -2.806  -8.125
  436    HB3  ARG  54           HB3      ARG  54 -11.775  -4.481  -7.980
  437    HG2  ARG  54           HG2      ARG  54 -14.629  -3.557  -7.530
  438    HG3  ARG  54           HG3      ARG  54 -14.005  -4.337  -8.993
  439    HD2  ARG  54           HD2      ARG  54 -13.467  -6.314  -7.596
  440    HD3  ARG  54           HD3      ARG  54 -14.352  -5.549  -6.256
  441    HE   ARG  54           HE       ARG  54 -16.208  -5.366  -8.142
  442   HH11  ARG  54          HH11      ARG  54 -14.029  -8.203  -7.758
  443   HH12  ARG  54          HH12      ARG  54 -15.270  -9.340  -8.154
  444   HH21  ARG  54          HH21      ARG  54 -17.773  -6.868  -8.727
  445   HH22  ARG  54          HH22      ARG  54 -17.441  -8.563  -8.766
  446    H    THR  55           H        THR  55 -10.102  -4.930  -6.527
  447    HA   THR  55           HA       THR  55  -8.265  -2.808  -5.527
  448    HB   THR  55           HB       THR  55  -7.010  -4.713  -4.558
  449    HG1  THR  55           HG1      THR  55  -7.755  -6.711  -4.732
  450   HG21  THR  55          HG21      THR  55  -8.394  -5.060  -2.539
  451   HG22  THR  55          HG22      THR  55  -8.339  -3.372  -3.056
  452   HG23  THR  55          HG23      THR  55  -9.790  -4.353  -3.381
  453    H    LEU  56           H        LEU  56  -6.010  -3.405  -6.096
  454    HA   LEU  56           HA       LEU  56  -5.925  -3.635  -8.993
  455    HB2  LEU  56           HB2      LEU  56  -3.587  -3.957  -7.056
  456    HB3  LEU  56           HB3      LEU  56  -3.493  -3.503  -8.741
  457    HG   LEU  56           HG       LEU  56  -4.674  -1.842  -6.484
  458   HD11  LEU  56          HD11      LEU  56  -2.839  -0.317  -7.001
  459   HD12  LEU  56          HD12      LEU  56  -2.247  -1.903  -6.503
  460   HD13  LEU  56          HD13      LEU  56  -2.211  -1.465  -8.227
  461   HD21  LEU  56          HD21      LEU  56  -4.844  -0.047  -8.287
  462   HD22  LEU  56          HD22      LEU  56  -4.460  -1.280  -9.496
  463   HD23  LEU  56          HD23      LEU  56  -5.952  -1.396  -8.532
  464    H    SER  57           H        SER  57  -5.275  -5.892  -6.353
  465    HA   SER  57           HA       SER  57  -4.532  -8.157  -7.843
  466    HB2  SER  57           HB2      SER  57  -5.431  -9.330  -5.782
  467    HB3  SER  57           HB3      SER  57  -4.165  -8.103  -5.533
  468    HG   SER  57           HG       SER  57  -5.924  -7.949  -4.016
  469    H    ASP  58           H        ASP  58  -7.822  -6.829  -7.196
  470    HA   ASP  58           HA       ASP  58  -9.302  -9.172  -7.909
  471    HB2  ASP  58           HB2      ASP  58 -10.208  -7.115  -6.813
  472    HB3  ASP  58           HB3      ASP  58 -10.067  -6.278  -8.358
  473    H    TYR  59           H        TYR  59  -7.520  -6.800  -9.674
  474    HA   TYR  59           HA       TYR  59  -8.500  -7.762 -12.325
  475    HB2  TYR  59           HB2      TYR  59  -7.161  -5.192 -11.479
  476    HB3  TYR  59           HB3      TYR  59  -7.547  -5.589 -13.154
  477    HD1  TYR  59           HD2      TYR  59 -10.062  -6.232 -13.632
  478    HD2  TYR  59           HD1      TYR  59  -8.740  -4.024 -10.151
  479    HE1  TYR  59           HE2      TYR  59 -12.366  -5.394 -13.298
  480    HE2  TYR  59           HE1      TYR  59 -11.014  -3.278  -9.760
  481    HH   TYR  59           HH       TYR  59 -13.785  -4.103 -11.936
  482    H    ASN  60           H        ASN  60  -6.198  -8.566 -10.277
  483    HA   ASN  60           HA       ASN  60  -4.335  -9.711 -10.329
  484    HB2  ASN  60           HB2      ASN  60  -5.766 -10.799 -12.331
  485    HB3  ASN  60           HB3      ASN  60  -4.390 -10.245 -13.288
  486   HD21  ASN  60          HD22      ASN  60  -5.231 -11.983 -10.245
  487   HD22  ASN  60          HD21      ASN  60  -3.903 -13.123 -10.314
  488    H    ILE  61           H        ILE  61  -4.314  -6.800 -11.074
  489    HA   ILE  61           HA       ILE  61  -1.863  -6.205 -12.496
  490    HB   ILE  61           HB       ILE  61  -3.553  -4.831 -10.391
  491   HG12  ILE  61          HG12      ILE  61  -3.423  -3.965 -13.277
  492   HG13  ILE  61          HG13      ILE  61  -4.526  -5.244 -12.793
  493   HG21  ILE  61          HG21      ILE  61  -2.398  -2.683 -11.014
  494   HG22  ILE  61          HG22      ILE  61  -1.292  -3.842 -10.295
  495   HG23  ILE  61          HG23      ILE  61  -1.311  -3.608 -12.059
  496   HD11  ILE  61          HD11      ILE  61  -4.505  -2.469 -11.571
  497   HD12  ILE  61          HD12      ILE  61  -5.666  -3.081 -12.777
  498   HD13  ILE  61          HD13      ILE  61  -5.592  -3.779 -11.149
  499    H    GLN  62           H        GLN  62   0.168  -5.982 -11.570
  500    HA   GLN  62           HA       GLN  62   0.575  -6.727  -8.708
  501    HB2  GLN  62           HB2      GLN  62   2.280  -7.516 -11.124
  502    HB3  GLN  62           HB3      GLN  62   2.616  -7.920  -9.433
  503    HG2  GLN  62           HG2      GLN  62   0.532  -9.268  -9.322
  504    HG3  GLN  62           HG3      GLN  62   0.176  -8.842 -10.997
  505   HE21  GLN  62          HE22      GLN  62   0.536 -10.577 -12.305
  506   HE22  GLN  62          HE21      GLN  62   1.899 -11.672 -12.191
  507    H    LYS  63           H        LYS  63   3.272  -6.080  -8.540
  508    HA   LYS  63           HA       LYS  63   3.383  -3.243  -8.646
  509    HB2  LYS  63           HB2      LYS  63   5.622  -3.515  -7.922
  510    HB3  LYS  63           HB3      LYS  63   4.701  -4.842  -7.176
  511    HG2  LYS  63           HG2      LYS  63   5.595  -6.325  -9.036
  512    HG3  LYS  63           HG3      LYS  63   6.669  -4.968  -9.471
  513    HD2  LYS  63           HD2      LYS  63   7.516  -4.932  -7.077
  514    HD3  LYS  63           HD3      LYS  63   6.464  -6.304  -6.735
  515    HE2  LYS  63           HE2      LYS  63   8.479  -7.330  -7.015
  516    HE3  LYS  63           HE3      LYS  63   7.710  -7.556  -8.599
  517    HZ1  LYS  63           HZ1      LYS  63   9.098  -5.699  -9.434
  518    HZ2  LYS  63           HZ2      LYS  63   9.775  -5.507  -7.947
  519    HZ3  LYS  63           HZ3      LYS  63  10.033  -6.873  -8.796
  520    H    GLU  64           H        GLU  64   4.976  -2.049  -9.732
  521    HA   GLU  64           HA       GLU  64   5.517  -1.025 -11.547
  522    HB2  GLU  64           HB2      GLU  64   7.547  -1.768 -12.558
  523    HB3  GLU  64           HB3      GLU  64   7.535  -2.284 -10.884
  524    HG2  GLU  64           HG2      GLU  64   6.783  -4.590 -11.853
  525    HG3  GLU  64           HG3      GLU  64   7.293  -3.905 -13.407
  526    H    SER  65           H        SER  65   3.104  -1.637 -11.879
  527    HA   SER  65           HA       SER  65   2.790  -2.770 -14.657
  528    HB2  SER  65           HB2      SER  65   0.954  -3.170 -12.272
  529    HB3  SER  65           HB3      SER  65   0.573  -3.618 -13.941
  530    HG   SER  65           HG       SER  65   2.798  -4.614 -12.456
  531    H    THR  66           H        THR  66   1.047  -1.845 -15.842
  532    HA   THR  66           HA       THR  66   0.869   1.014 -15.169
  533    HB   THR  66           HB       THR  66   0.593  -0.387 -17.857
  534    HG1  THR  66           HG1      THR  66   2.736   0.089 -18.159
  535   HG21  THR  66          HG21      THR  66  -0.422   1.871 -17.936
  536   HG22  THR  66          HG22      THR  66   1.073   2.578 -17.276
  537   HG23  THR  66          HG23      THR  66   1.067   1.815 -18.881
  538    H    LEU  67           H        LEU  67  -0.962   2.154 -15.326
  539    HA   LEU  67           HA       LEU  67  -3.596   0.820 -15.699
  540    HB2  LEU  67           HB2      LEU  67  -2.355   1.875 -13.316
  541    HB3  LEU  67           HB3      LEU  67  -3.496   3.100 -13.873
  542    HG   LEU  67           HG       LEU  67  -5.294   1.426 -13.882
  543   HD11  LEU  67          HD11      LEU  67  -3.829  -0.634 -14.100
  544   HD12  LEU  67          HD12      LEU  67  -3.165  -0.321 -12.498
  545   HD13  LEU  67          HD13      LEU  67  -4.909  -0.698 -12.701
  546   HD21  LEU  67          HD21      LEU  67  -5.523   1.360 -11.446
  547   HD22  LEU  67          HD22      LEU  67  -3.790   1.708 -11.247
  548   HD23  LEU  67          HD23      LEU  67  -4.861   2.932 -11.977
  549    H    HIS  68           H        HIS  68  -5.318   2.680 -15.887
  550    HA   HIS  68           HA       HIS  68  -4.218   4.896 -17.586
  551    HB2  HIS  68           HB2      HIS  68  -6.338   2.861 -18.128
  552    HB3  HIS  68           HB3      HIS  68  -6.694   4.519 -18.603
  553    HD2  HIS  68           HD2      HIS  68  -5.810   5.333 -20.823
  554    HE1  HIS  68           HE1      HIS  68  -3.258   2.089 -21.841
  555    H    LEU  69           H        LEU  69  -5.032   6.997 -17.002
  556    HA   LEU  69           HA       LEU  69  -7.167   7.089 -14.907
  557    HB2  LEU  69           HB2      LEU  69  -4.696   8.211 -14.842
  558    HB3  LEU  69           HB3      LEU  69  -5.422   9.402 -15.896
  559    HG   LEU  69           HG       LEU  69  -5.157   9.933 -13.491
  560   HD11  LEU  69          HD11      LEU  69  -6.455  11.287 -15.080
  561   HD12  LEU  69          HD12      LEU  69  -7.929  10.370 -14.651
  562   HD13  LEU  69          HD13      LEU  69  -7.081  11.346 -13.434
  563   HD21  LEU  69          HD21      LEU  69  -6.776   9.233 -11.934
  564   HD22  LEU  69          HD22      LEU  69  -7.696   8.305 -13.139
  565   HD23  LEU  69          HD23      LEU  69  -6.059   7.789 -12.634
  566    H    VAL  70           H        VAL  70  -9.126   8.142 -15.550
  567    HA   VAL  70           HA       VAL  70  -9.009  10.010 -17.904
  568    HB   VAL  70           HB       VAL  70 -10.904   9.143 -18.939
  569   HG11  VAL  70          HG11      VAL  70  -9.730   6.480 -18.055
  570   HG12  VAL  70          HG12      VAL  70 -10.489   6.905 -19.612
  571   HG13  VAL  70          HG13      VAL  70  -8.880   7.545 -19.160
  572   HG21  VAL  70          HG21      VAL  70 -12.455   8.742 -17.158
  573   HG22  VAL  70          HG22      VAL  70 -12.356   7.276 -18.120
  574   HG23  VAL  70          HG23      VAL  70 -11.407   7.402 -16.603
  575    H    LEU  71           H        LEU  71 -10.855  11.442 -17.882
  576    HA   LEU  71           HA       LEU  71 -11.690  12.172 -15.126
  577    HB2  LEU  71           HB2      LEU  71 -10.829  13.901 -16.833
  578    HB3  LEU  71           HB3      LEU  71 -12.206  13.463 -17.822
  579    HG   LEU  71           HG       LEU  71 -13.675  14.070 -15.773
  580   HD11  LEU  71          HD11      LEU  71 -11.986  14.182 -14.042
  581   HD12  LEU  71          HD12      LEU  71 -11.099  15.427 -14.956
  582   HD13  LEU  71          HD13      LEU  71 -12.703  15.786 -14.287
  583   HD21  LEU  71          HD21      LEU  71 -13.780  16.407 -16.461
  584   HD22  LEU  71          HD22      LEU  71 -12.278  16.178 -17.407
  585   HD23  LEU  71          HD23      LEU  71 -13.759  15.263 -17.815
  586    H    ARG  72           H        ARG  72 -13.749  11.601 -14.562
  587    HA   ARG  72           HA       ARG  72 -15.715  11.126 -16.726
  588    HB2  ARG  72           HB2      ARG  72 -16.738   9.333 -15.640
  589    HB3  ARG  72           HB3      ARG  72 -15.021   9.008 -15.536
  590    HG2  ARG  72           HG2      ARG  72 -15.291   8.667 -13.291
  591    HG3  ARG  72           HG3      ARG  72 -15.644  10.384 -13.094
  592    HD2  ARG  72           HD2      ARG  72 -18.046   9.915 -13.599
  593    HD3  ARG  72           HD3      ARG  72 -17.666   8.212 -13.782
  594    HE   ARG  72           HE       ARG  72 -17.210   9.713 -11.212
  595   HH11  ARG  72          HH21      ARG  72 -18.833   7.003 -12.872
  596   HH12  ARG  72          HH22      ARG  72 -19.366   6.254 -11.411
  597   HH21  ARG  72          HH11      ARG  72 -18.258   8.871  -9.298
  598   HH22  ARG  72          HH12      ARG  72 -18.939   7.291  -9.355
  599    H    LEU  73           H        LEU  73 -14.902  13.408 -14.893
  600    HA   LEU  73           HA       LEU  73 -15.886  15.303 -14.231
  601    HB2  LEU  73           HB2      LEU  73 -18.506  14.292 -15.381
  602    HB3  LEU  73           HB3      LEU  73 -18.026  15.932 -15.004
  603    HG   LEU  73           HG       LEU  73 -16.084  15.537 -16.721
  604   HD11  LEU  73          HD11      LEU  73 -16.082  13.301 -17.435
  605   HD12  LEU  73          HD12      LEU  73 -17.850  13.144 -17.334
  606   HD13  LEU  73          HD13      LEU  73 -17.099  13.997 -18.658
  607   HD21  LEU  73          HD21      LEU  73 -17.660  16.277 -18.536
  608   HD22  LEU  73          HD22      LEU  73 -19.002  15.943 -17.417
  609   HD23  LEU  73          HD23      LEU  73 -17.783  17.157 -17.016
  610    H    ARG  74           H        ARG  74 -18.396  12.754 -13.433
  611    HA   ARG  74           HA       ARG  74 -18.337  13.372 -10.613
  612    HB2  ARG  74           HB2      ARG  74 -20.424  14.523 -10.501
  613    HB3  ARG  74           HB3      ARG  74 -19.442  15.339 -11.717
  614    HG2  ARG  74           HG2      ARG  74 -20.718  14.164 -13.520
  615    HG3  ARG  74           HG3      ARG  74 -21.789  13.491 -12.288
  616    HD2  ARG  74           HD2      ARG  74 -21.356  16.461 -12.794
  617    HD3  ARG  74           HD3      ARG  74 -22.718  15.498 -13.404
  618    HE   ARG  74           HE       ARG  74 -22.544  15.190 -10.560
  619   HH11  ARG  74          HH11      ARG  74 -23.463  17.725 -12.886
  620   HH12  ARG  74          HH12      ARG  74 -24.587  18.468 -11.798
  621   HH21  ARG  74          HH22      ARG  74 -23.974  16.043  -9.224
  622   HH22  ARG  74          HH21      ARG  74 -24.903  17.483  -9.605
  623    H    GLY  75           H        GLY  75 -19.995  12.055  -9.466
  624    HA2  GLY  75           HA2      GLY  75 -21.672  10.225 -11.096
  625    HA3  GLY  75           HA3      GLY  75 -20.606   9.561  -9.848
  626    H    GLY  76           H        GLY  76 -21.963  12.726  -9.244
  627    HA2  GLY  76           HA2      GLY  76 -24.446  11.976  -8.051
  628    HA3  GLY  76           HA3      GLY  76 -23.196  12.345  -6.840
  629    H1   GLY  -3           H1       GLY  -3 -10.439  23.640 -27.433
  630    H2   GLY  -3           H2       GLY  -3 -10.764  22.201 -26.710
  631    H3   GLY  -3           H3       GLY  -3  -9.691  23.238 -26.029
  632    HA2  GLY  -3           HA2      GLY  -3 -11.408  24.857 -25.599
  633    HA3  GLY  -3           HA3      GLY  -3 -12.573  23.758 -26.354
  634    H    HIS  -2           H        HIS  -2 -13.812  23.781 -24.369
  635    HA   HIS  -2           HA       HIS  -2 -12.686  22.959 -21.857
  636    HB2  HIS  -2           HB2      HIS  -2 -15.584  23.001 -22.784
  637    HB3  HIS  -2           HB3      HIS  -2 -15.023  22.873 -21.117
  638    HD2  HIS  -2           HD2      HIS  -2 -16.306  25.420 -23.378
  639    HE1  HIS  -2           HE1      HIS  -2 -13.658  27.651 -20.887
  640    H    MET  -1           H        MET  -1 -14.174  21.168 -24.556
  641    HA   MET  -1           HA       MET  -1 -14.056  18.605 -23.111
  642    HB2  MET  -1           HB2      MET  -1 -15.847  18.869 -24.725
  643    HB3  MET  -1           HB3      MET  -1 -14.716  19.398 -25.982
  644    HG2  MET  -1           HG2      MET  -1 -13.747  17.229 -26.177
  645    HG3  MET  -1           HG3      MET  -1 -14.556  16.654 -24.723
  646    HE1  MET  -1           HE1      MET  -1 -16.706  17.376 -28.767
  647    HE2  MET  -1           HE2      MET  -1 -16.308  18.726 -27.686
  648    HE3  MET  -1           HE3      MET  -1 -15.007  17.785 -28.447
  649    H    PHE 679           H        PHE 679 -12.332  17.139 -23.298
  650    HA   PHE 679           HA       PHE 679 -10.233  16.555 -23.455
  651    HB2  PHE 679           HB2      PHE 679  -9.506  15.805 -25.687
  652    HB3  PHE 679           HB3      PHE 679 -11.025  15.222 -25.082
  653    HD1  PHE 679           HD2      PHE 679 -10.479  18.512 -26.843
  654    HD2  PHE 679           HD1      PHE 679 -12.099  14.520 -27.021
  655    HE1  PHE 679           HE2      PHE 679 -11.562  19.038 -29.017
  656    HE2  PHE 679           HE1      PHE 679 -13.187  15.055 -29.181
  657    HZ   PHE 679           HZ       PHE 679 -12.915  17.314 -30.187
  658    HA   PRO 680           HA       PRO 680  -8.029  20.632 -23.980
  659    HB2  PRO 680           HB2      PRO 680  -7.467  20.904 -21.278
  660    HB3  PRO 680           HB3      PRO 680  -8.952  21.570 -22.037
  661    HG2  PRO 680           HG2      PRO 680  -8.598  18.893 -20.644
  662    HG3  PRO 680           HG3      PRO 680  -9.848  20.157 -20.309
  663    HD2  PRO 680           HD2      PRO 680 -10.375  18.052 -21.816
  664    HD3  PRO 680           HD3      PRO 680 -10.946  19.678 -22.311
  665    H    SER 681           H        SER 681  -5.659  20.751 -22.836
  666    HA   SER 681           HA       SER 681  -4.070  18.707 -23.676
  667    HB2  SER 681           HB2      SER 681  -3.482  20.414 -21.240
  668    HB3  SER 681           HB3      SER 681  -2.324  19.749 -22.406
  669    HG   SER 681           HG       SER 681  -2.770  21.971 -22.816
  670    H    ASP 682           H        ASP 682  -5.927  18.637 -20.694
  671    HA   ASP 682           HA       ASP 682  -4.708  16.558 -19.229
  672    HB2  ASP 682           HB2      ASP 682  -6.745  18.064 -18.676
  673    HB3  ASP 682           HB3      ASP 682  -7.694  16.895 -19.616
  674    H    ILE 683           H        ILE 683  -6.224  16.298 -22.308
  675    HA   ILE 683           HA       ILE 683  -6.249  13.346 -22.036
  676    HB   ILE 683           HB       ILE 683  -8.308  14.796 -23.655
  677   HG12  ILE 683          HG12      ILE 683  -8.794  15.803 -21.451
  678   HG13  ILE 683          HG13      ILE 683 -10.034  14.650 -21.913
  679   HG21  ILE 683          HG21      ILE 683  -8.747  12.341 -22.100
  680   HG22  ILE 683          HG22      ILE 683  -9.406  12.869 -23.676
  681   HG23  ILE 683          HG23      ILE 683  -7.753  12.260 -23.586
  682   HD11  ILE 683          HD11      ILE 683  -9.532  13.157 -20.216
  683   HD12  ILE 683          HD12      ILE 683  -7.930  13.827 -19.937
  684   HD13  ILE 683          HD13      ILE 683  -9.376  14.762 -19.497
  685    H    ASP 684           H        ASP 684  -5.389  12.347 -23.911
  686    HA   ASP 684           HA       ASP 684  -4.562  14.050 -26.200
  687    HB2  ASP 684           HB2      ASP 684  -2.681  13.784 -24.671
  688    HB3  ASP 684           HB3      ASP 684  -2.862  12.026 -24.686
  689    HA   PRO 685           HA       PRO 685  -6.702  10.925 -28.565
  690    HB2  PRO 685           HB2      PRO 685  -4.422  11.459 -30.489
  691    HB3  PRO 685           HB3      PRO 685  -6.166  11.228 -30.839
  692    HG2  PRO 685           HG2      PRO 685  -5.161  13.731 -30.704
  693    HG3  PRO 685           HG3      PRO 685  -6.713  13.353 -29.891
  694    HD2  PRO 685           HD2      PRO 685  -3.964  13.608 -28.660
  695    HD3  PRO 685           HD3      PRO 685  -5.549  14.180 -28.049
  696    H    GLN 686           H        GLN 686  -3.094  10.505 -28.143
  697    HA   GLN 686           HA       GLN 686  -3.113   7.871 -29.250
  698    HB2  GLN 686           HB2      GLN 686  -1.126   9.380 -28.910
  699    HB3  GLN 686           HB3      GLN 686  -1.165   9.015 -27.186
  700    HG2  GLN 686           HG2      GLN 686  -0.838   6.953 -29.415
  701    HG3  GLN 686           HG3      GLN 686   0.509   7.704 -28.565
  702   HE21  GLN 686          HE22      GLN 686  -0.775   4.792 -28.686
  703   HE22  GLN 686          HE21      GLN 686  -0.791   4.319 -26.997
  704    H    VAL 687           H        VAL 687  -3.276   9.026 -25.821
  705    HA   VAL 687           HA       VAL 687  -3.512   6.371 -24.752
  706    HB   VAL 687           HB       VAL 687  -4.504   8.937 -23.434
  707   HG11  VAL 687          HG11      VAL 687  -5.082   6.904 -22.278
  708   HG12  VAL 687          HG12      VAL 687  -3.489   6.235 -22.481
  709   HG13  VAL 687          HG13      VAL 687  -3.735   7.619 -21.380
  710   HG21  VAL 687          HG21      VAL 687  -2.338   9.610 -24.056
  711   HG22  VAL 687          HG22      VAL 687  -2.142   8.974 -22.417
  712   HG23  VAL 687          HG23      VAL 687  -1.663   7.988 -23.833
  713    H    PHE 688           H        PHE 688  -5.807   8.921 -25.594
  714    HA   PHE 688           HA       PHE 688  -8.159   7.714 -24.652
  715    HB2  PHE 688           HB2      PHE 688  -7.622   9.978 -24.904
  716    HB3  PHE 688           HB3      PHE 688  -7.513   9.855 -26.667
  717    HD1  PHE 688           HD1      PHE 688 -10.135   9.236 -23.979
  718    HD2  PHE 688           HD2      PHE 688  -9.293  10.435 -28.036
  719    HE1  PHE 688           HE1      PHE 688 -12.537   9.777 -24.326
  720    HE2  PHE 688           HE2      PHE 688 -11.686  10.978 -28.360
  721    HZ   PHE 688           HZ       PHE 688 -13.304  10.662 -26.508
  722    H    TYR 689           H        TYR 689  -6.274   7.115 -27.623
  723    HA   TYR 689           HA       TYR 689  -8.395   5.502 -28.840
  724    HB2  TYR 689           HB2      TYR 689  -6.640   6.891 -30.073
  725    HB3  TYR 689           HB3      TYR 689  -5.451   5.687 -29.597
  726    HD1  TYR 689           HD2      TYR 689  -8.396   6.486 -31.648
  727    HD2  TYR 689           HD1      TYR 689  -5.517   3.420 -30.654
  728    HE1  TYR 689           HE2      TYR 689  -9.083   5.201 -33.655
  729    HE2  TYR 689           HE1      TYR 689  -6.193   2.133 -32.668
  730    HH   TYR 689           HH       TYR 689  -8.756   3.251 -34.932
  731    H    GLU 690           H        GLU 690  -5.522   5.043 -26.793
  732    HA   GLU 690           HA       GLU 690  -5.286   2.184 -26.786
  733    HB2  GLU 690           HB2      GLU 690  -3.969   4.361 -25.730
  734    HB3  GLU 690           HB3      GLU 690  -4.778   3.715 -24.311
  735    HG2  GLU 690           HG2      GLU 690  -3.493   1.748 -24.333
  736    HG3  GLU 690           HG3      GLU 690  -3.226   1.826 -26.077
  737    H    LEU 691           H        LEU 691  -7.720   4.237 -25.725
  738    HA   LEU 691           HA       LEU 691  -8.584   2.873 -23.356
  739    HB2  LEU 691           HB2      LEU 691  -8.552   5.449 -24.370
  740    HB3  LEU 691           HB3      LEU 691 -10.187   4.997 -24.790
  741    HG   LEU 691           HG       LEU 691 -10.692   4.708 -22.428
  742   HD11  LEU 691          HD11      LEU 691  -8.879   5.460 -20.744
  743   HD12  LEU 691          HD12      LEU 691  -8.569   3.898 -21.486
  744   HD13  LEU 691          HD13      LEU 691  -7.728   5.329 -22.094
  745   HD21  LEU 691          HD21      LEU 691 -10.864   6.918 -23.499
  746   HD22  LEU 691          HD22      LEU 691 -10.628   6.978 -21.768
  747   HD23  LEU 691          HD23      LEU 691  -9.254   7.317 -22.859
  748    HA   PRO 692           HA       PRO 692 -11.990   0.462 -25.253
  749    HB2  PRO 692           HB2      PRO 692 -13.962   0.667 -23.331
  750    HB3  PRO 692           HB3      PRO 692 -12.509  -0.353 -23.122
  751    HG2  PRO 692           HG2      PRO 692 -12.853   2.545 -22.204
  752    HG3  PRO 692           HG3      PRO 692 -12.415   1.119 -21.187
  753    HD2  PRO 692           HD2      PRO 692 -10.489   2.664 -22.144
  754    HD3  PRO 692           HD3      PRO 692 -10.310   0.910 -22.349
  755    H    GLU 693           H        GLU 693 -13.972   0.932 -26.451
  756    HA   GLU 693           HA       GLU 693 -14.278   3.718 -27.110
  757    HB2  GLU 693           HB2      GLU 693 -14.653   1.781 -28.670
  758    HB3  GLU 693           HB3      GLU 693 -16.157   1.425 -27.795
  759    HG2  GLU 693           HG2      GLU 693 -16.917   3.792 -28.289
  760    HG3  GLU 693           HG3      GLU 693 -15.459   4.023 -29.259
  761    H    ALA 694           H        ALA 694 -16.252   1.473 -25.105
  762    HA   ALA 694           HA       ALA 694 -18.471   3.211 -24.917
  763    HB1  ALA 694           HB1      ALA 694 -19.176   1.803 -23.037
  764    HB2  ALA 694           HB2      ALA 694 -18.572   0.838 -24.388
  765    HB3  ALA 694           HB3      ALA 694 -17.551   1.077 -22.945
  766    H    VAL 695           H        VAL 695 -15.569   3.011 -22.791
  767    HA   VAL 695           HA       VAL 695 -16.695   5.032 -21.013
  768    HB   VAL 695           HB       VAL 695 -13.748   4.370 -21.103
  769   HG11  VAL 695          HG11      VAL 695 -14.282   6.217 -19.648
  770   HG12  VAL 695          HG12      VAL 695 -15.745   5.414 -19.027
  771   HG13  VAL 695          HG13      VAL 695 -14.156   4.815 -18.562
  772   HG21  VAL 695          HG21      VAL 695 -14.145   2.611 -19.418
  773   HG22  VAL 695          HG22      VAL 695 -15.914   2.837 -19.594
  774   HG23  VAL 695          HG23      VAL 695 -14.946   2.177 -20.923
  775    H    GLN 696           H        GLN 696 -14.564   5.123 -23.952
  776    HA   GLN 696           HA       GLN 696 -14.028   7.916 -23.798
  777    HB2  GLN 696           HB2      GLN 696 -14.560   6.180 -26.257
  778    HB3  GLN 696           HB3      GLN 696 -14.036   7.852 -26.335
  779    HG2  GLN 696           HG2      GLN 696 -11.889   7.328 -25.416
  780    HG3  GLN 696           HG3      GLN 696 -12.387   5.733 -24.928
  781   HE21  GLN 696          HE22      GLN 696 -11.778   4.104 -26.416
  782   HE22  GLN 696          HE21      GLN 696 -11.497   4.362 -28.120
  783    H    LYS 697           H        LYS 697 -16.827   6.114 -25.094
  784    HA   LYS 697           HA       LYS 697 -18.386   8.193 -26.093
  785    HB2  LYS 697           HB2      LYS 697 -18.722   5.459 -25.684
  786    HB3  LYS 697           HB3      LYS 697 -19.848   6.105 -24.513
  787    HG2  LYS 697           HG2      LYS 697 -21.305   6.097 -26.195
  788    HG3  LYS 697           HG3      LYS 697 -20.558   7.604 -26.695
  789    HD2  LYS 697           HD2      LYS 697 -19.833   4.792 -27.687
  790    HD3  LYS 697           HD3      LYS 697 -20.853   5.964 -28.541
  791    HE2  LYS 697           HE2      LYS 697 -18.855   7.565 -28.541
  792    HE3  LYS 697           HE3      LYS 697 -17.861   6.219 -27.953
  793    HZ1  LYS 697           HZ1      LYS 697 -17.782   6.421 -30.386
  794    HZ2  LYS 697           HZ2      LYS 697 -18.478   4.989 -30.014
  795    HZ3  LYS 697           HZ3      LYS 697 -19.394   6.251 -30.516
  796    H    GLU 698           H        GLU 698 -18.230   7.015 -22.717
  797    HA   GLU 698           HA       GLU 698 -20.161   8.813 -21.623
  798    HB2  GLU 698           HB2      GLU 698 -18.775   6.863 -20.366
  799    HB3  GLU 698           HB3      GLU 698 -17.668   8.199 -19.953
  800    HG2  GLU 698           HG2      GLU 698 -19.544   9.504 -19.041
  801    HG3  GLU 698           HG3      GLU 698 -20.668   8.206 -19.452
  802    H    LEU 699           H        LEU 699 -16.667   8.959 -21.869
  803    HA   LEU 699           HA       LEU 699 -16.178  11.369 -20.549
  804    HB2  LEU 699           HB2      LEU 699 -14.791   9.580 -22.521
  805    HB3  LEU 699           HB3      LEU 699 -14.084  11.127 -22.268
  806    HG   LEU 699           HG       LEU 699 -13.506  10.688 -20.057
  807   HD11  LEU 699          HD11      LEU 699 -14.252   8.866 -18.626
  808   HD12  LEU 699          HD12      LEU 699 -15.599   9.889 -19.074
  809   HD13  LEU 699          HD13      LEU 699 -15.387   8.314 -19.869
  810   HD21  LEU 699          HD21      LEU 699 -12.176   9.376 -21.621
  811   HD22  LEU 699          HD22      LEU 699 -12.444   8.378 -20.170
  812   HD23  LEU 699          HD23      LEU 699 -13.372   8.059 -21.606
  813    H    LEU 700           H        LEU 700 -16.207  10.904 -24.130
  814    HA   LEU 700           HA       LEU 700 -15.932  13.675 -24.638
  815    HB2  LEU 700           HB2      LEU 700 -16.532  13.204 -26.945
  816    HB3  LEU 700           HB3      LEU 700 -15.339  12.084 -26.296
  817    HG   LEU 700           HG       LEU 700 -17.652  10.714 -25.793
  818   HD11  LEU 700          HD11      LEU 700 -18.112  12.023 -28.498
  819   HD12  LEU 700          HD12      LEU 700 -19.092  10.739 -27.745
  820   HD13  LEU 700          HD13      LEU 700 -19.059  12.359 -27.042
  821   HD21  LEU 700          HD21      LEU 700 -16.074  10.568 -28.388
  822   HD22  LEU 700          HD22      LEU 700 -15.587   9.851 -26.842
  823   HD23  LEU 700          HD23      LEU 700 -17.038   9.262 -27.640
  824    H    ALA 701           H        ALA 701 -18.929  11.690 -24.279
  825    HA   ALA 701           HA       ALA 701 -20.603  13.839 -25.219
  826    HB1  ALA 701           HB1      ALA 701 -21.251  11.423 -23.456
  827    HB2  ALA 701           HB2      ALA 701 -22.433  12.438 -24.312
  828    HB3  ALA 701           HB3      ALA 701 -21.276  11.458 -25.239
  829    H    GLU 702           H        GLU 702 -19.664  12.742 -21.911
  830    HA   GLU 702           HA       GLU 702 -21.138  14.790 -20.529
  831    HB2  GLU 702           HB2      GLU 702 -18.678  13.140 -19.851
  832    HB3  GLU 702           HB3      GLU 702 -19.401  14.294 -18.742
  833    HG2  GLU 702           HG2      GLU 702 -20.895  11.925 -19.868
  834    HG3  GLU 702           HG3      GLU 702 -20.028  11.960 -18.328
  835    H    TRP 703           H        TRP 703 -17.793  14.591 -21.825
  836    HA   TRP 703           HA       TRP 703 -16.850  16.856 -20.537
  837    HB2  TRP 703           HB2      TRP 703 -16.037  15.653 -23.209
  838    HB3  TRP 703           HB3      TRP 703 -15.144  16.929 -22.414
  839    HD1  TRP 703           HD1      TRP 703 -15.529  14.991 -19.488
  840    HE1  TRP 703           HE1      TRP 703 -13.871  13.088 -19.213
  841    HE3  TRP 703           HE3      TRP 703 -13.795  14.612 -24.304
  842    HZ2  TRP 703           HZ2      TRP 703 -11.639  11.949 -20.675
  843    HZ3  TRP 703           HZ3      TRP 703 -12.048  12.944 -24.838
  844    HH2  TRP 703           HH2      TRP 703 -11.021  11.580 -23.044
  845    H    LYS 704           H        LYS 704 -18.602  16.595 -23.670
  846    HA   LYS 704           HA       LYS 704 -18.481  19.526 -24.006
  847    HB2  LYS 704           HB2      LYS 704 -19.611  19.224 -26.077
  848    HB3  LYS 704           HB3      LYS 704 -18.307  18.045 -25.952
  849    HG2  LYS 704           HG2      LYS 704 -19.992  16.304 -25.340
  850    HG3  LYS 704           HG3      LYS 704 -21.281  17.489 -25.601
  851    HD2  LYS 704           HD2      LYS 704 -20.640  17.760 -27.933
  852    HD3  LYS 704           HD3      LYS 704 -19.199  16.734 -27.710
  853    HE2  LYS 704           HE2      LYS 704 -20.553  14.789 -27.244
  854    HE3  LYS 704           HE3      LYS 704 -22.045  15.746 -27.273
  855    HZ1  LYS 704           HZ1      LYS 704 -21.662  16.188 -29.634
  856    HZ2  LYS 704           HZ2      LYS 704 -20.289  15.298 -29.634
  857    HZ3  LYS 704           HZ3      LYS 704 -21.735  14.580 -29.370
  858    H    ARG 705           H        ARG 705 -20.796  17.159 -22.702
  859    HA   ARG 705           HA       ARG 705 -23.085  18.877 -22.808
  860    HB2  ARG 705           HB2      ARG 705 -22.298  16.403 -21.292
  861    HB3  ARG 705           HB3      ARG 705 -23.614  17.359 -20.619
  862    HG2  ARG 705           HG2      ARG 705 -24.987  17.109 -22.461
  863    HG3  ARG 705           HG3      ARG 705 -23.668  16.674 -23.548
  864    HD2  ARG 705           HD2      ARG 705 -25.242  14.760 -22.922
  865    HD3  ARG 705           HD3      ARG 705 -23.515  14.478 -22.749
  866    HE   ARG 705           HE       ARG 705 -23.692  14.225 -20.497
  867   HH11  ARG 705          HH11      ARG 705 -26.822  15.591 -21.554
  868   HH12  ARG 705          HH12      ARG 705 -27.562  15.333 -20.012
  869   HH21  ARG 705          HH21      ARG 705 -24.569  13.922 -18.624
  870   HH22  ARG 705          HH22      ARG 705 -26.229  14.338 -18.232
  871    H    THR 706           H        THR 706 -20.546  18.469 -20.206
  872    HA   THR 706           HA       THR 706 -21.781  20.592 -18.659
  873    HB   THR 706           HB       THR 706 -19.516  20.588 -17.502
  874    HG1  THR 706           HG1      THR 706 -17.973  19.259 -18.197
  875   HG21  THR 706          HG21      THR 706 -20.850  17.845 -17.759
  876   HG22  THR 706          HG22      THR 706 -19.856  18.422 -16.403
  877   HG23  THR 706          HG23      THR 706 -21.430  19.160 -16.717
  878    H    GLY 707           H        GLY 707 -18.893  20.278 -20.727
  879    HA2  GLY 707           HA2      GLY 707 -17.695  21.697 -22.007
  880    HA3  GLY 707           HA3      GLY 707 -19.255  22.404 -22.455
  Start of MODEL    5
    1    H1   MET   1           H1       MET   1   4.466  -2.611  -2.656
    2    H2   MET   1           H2       MET   1   4.937  -1.041  -2.660
    3    H3   MET   1           H3       MET   1   3.378  -1.400  -2.945
    4    HA   MET   1           HA       MET   1   5.691  -2.052  -4.684
    5    HB2  MET   1           HB2      MET   1   4.277  -2.963  -6.304
    6    HB3  MET   1           HB3      MET   1   3.995  -3.854  -4.809
    7    HG2  MET   1           HG2      MET   1   1.823  -2.468  -4.631
    8    HG3  MET   1           HG3      MET   1   2.188  -1.889  -6.270
    9    HE1  MET   1           HE1      MET   1   0.366  -2.989  -7.928
   10    HE2  MET   1           HE2      MET   1  -0.485  -4.476  -7.444
   11    HE3  MET   1           HE3      MET   1  -0.543  -3.062  -6.381
   12    H    GLN   2           H        GLN   2   5.165  -1.073  -7.075
   13    HA   GLN   2           HA       GLN   2   3.701   1.488  -6.785
   14    HB2  GLN   2           HB2      GLN   2   5.402   2.704  -7.819
   15    HB3  GLN   2           HB3      GLN   2   6.245   1.671  -6.664
   16    HG2  GLN   2           HG2      GLN   2   6.758   0.082  -8.580
   17    HG3  GLN   2           HG3      GLN   2   6.089   1.273  -9.690
   18   HE21  GLN   2          HE22      GLN   2   8.820   0.329  -9.809
   19   HE22  GLN   2          HE21      GLN   2   9.854   1.691  -9.466
   20    H    ILE   3           H        ILE   3   2.783   2.284  -8.756
   21    HA   ILE   3           HA       ILE   3   2.737   0.410 -11.135
   22    HB   ILE   3           HB       ILE   3   0.277   0.721 -11.288
   23   HG12  ILE   3          HG12      ILE   3   0.277   1.479  -8.340
   24   HG13  ILE   3          HG13      ILE   3   0.388   2.703  -9.576
   25   HG21  ILE   3          HG21      ILE   3   1.165  -0.836  -8.784
   26   HG22  ILE   3          HG22      ILE   3  -0.268  -1.137  -9.790
   27   HG23  ILE   3          HG23      ILE   3   1.355  -1.391 -10.450
   28   HD11  ILE   3          HD11      ILE   3  -1.892   2.469  -8.928
   29   HD12  ILE   3          HD12      ILE   3  -1.656   1.993 -10.625
   30   HD13  ILE   3          HD13      ILE   3  -1.884   0.740  -9.370
   31    H    PHE   4           H        PHE   4   1.924   1.393 -13.016
   32    HA   PHE   4           HA       PHE   4   2.725   4.263 -13.084
   33    HB2  PHE   4           HB2      PHE   4   2.777   2.418 -15.463
   34    HB3  PHE   4           HB3      PHE   4   3.691   3.889 -15.109
   35    HD1  PHE   4           HD2      PHE   4   5.097   3.645 -12.797
   36    HD2  PHE   4           HD1      PHE   4   4.050   0.446 -15.469
   37    HE1  PHE   4           HE2      PHE   4   6.945   2.273 -11.875
   38    HE2  PHE   4           HE1      PHE   4   6.024  -0.834 -14.680
   39    HZ   PHE   4           HZ       PHE   4   7.486   0.064 -12.910
   40    H    VAL   5           H        VAL   5   0.762   5.372 -13.002
   41    HA   VAL   5           HA       VAL   5  -1.515   4.339 -14.638
   42    HB   VAL   5           HB       VAL   5  -1.432   6.673 -12.718
   43   HG11  VAL   5          HG11      VAL   5  -3.899   6.520 -12.859
   44   HG12  VAL   5          HG12      VAL   5  -3.163   6.927 -14.425
   45   HG13  VAL   5          HG13      VAL   5  -3.769   5.285 -14.136
   46   HG21  VAL   5          HG21      VAL   5  -2.625   5.194 -11.194
   47   HG22  VAL   5          HG22      VAL   5  -2.584   3.872 -12.344
   48   HG23  VAL   5          HG23      VAL   5  -1.083   4.422 -11.632
   49    H    LYS   6           H        LYS   6  -1.156   4.711 -16.778
   50    HA   LYS   6           HA       LYS   6   0.127   7.144 -17.752
   51    HB2  LYS   6           HB2      LYS   6  -0.062   4.834 -18.945
   52    HB3  LYS   6           HB3      LYS   6  -1.731   5.318 -19.305
   53    HG2  LYS   6           HG2      LYS   6  -0.643   7.546 -20.229
   54    HG3  LYS   6           HG3      LYS   6   0.882   6.661 -20.105
   55    HD2  LYS   6           HD2      LYS   6  -0.486   4.813 -21.433
   56    HD3  LYS   6           HD3      LYS   6  -1.507   6.209 -21.933
   57    HE2  LYS   6           HE2      LYS   6   0.278   7.262 -23.057
   58    HE3  LYS   6           HE3      LYS   6   1.520   6.406 -22.150
   59    HZ1  LYS   6           HZ1      LYS   6   1.096   4.404 -23.360
   60    HZ2  LYS   6           HZ2      LYS   6  -0.228   4.980 -24.113
   61    HZ3  LYS   6           HZ3      LYS   6   1.267   5.577 -24.475
   62    H    THR   7           H        THR   7  -0.910   9.131 -17.880
   63    HA   THR   7           HA       THR   7  -3.799   9.144 -17.537
   64    HB   THR   7           HB       THR   7  -3.626  11.466 -17.710
   65    HG1  THR   7           HG1      THR   7  -1.276  12.242 -17.740
   66   HG21  THR   7          HG21      THR   7  -3.294  10.464 -15.532
   67   HG22  THR   7          HG22      THR   7  -1.535  10.381 -15.817
   68   HG23  THR   7          HG23      THR   7  -2.361  11.959 -15.683
   69    H    LEU   8           H        LEU   8  -5.161  10.293 -18.965
   70    HA   LEU   8           HA       LEU   8  -4.846   9.322 -21.653
   71    HB2  LEU   8           HB2      LEU   8  -6.693  11.475 -20.678
   72    HB3  LEU   8           HB3      LEU   8  -6.605  10.823 -22.331
   73    HG   LEU   8           HG       LEU   8  -7.672   9.520 -19.864
   74   HD11  LEU   8          HD11      LEU   8  -9.526   8.923 -21.378
   75   HD12  LEU   8          HD12      LEU   8  -9.294  10.635 -21.126
   76   HD13  LEU   8          HD13      LEU   8  -8.728   9.884 -22.652
   77   HD21  LEU   8          HD21      LEU   8  -7.788   7.341 -21.163
   78   HD22  LEU   8          HD22      LEU   8  -6.767   8.084 -22.397
   79   HD23  LEU   8          HD23      LEU   8  -6.165   7.780 -20.721
   80    H    THR   9           H        THR   9  -3.248  12.100 -20.176
   81    HA   THR   9           HA       THR   9  -3.082  13.507 -22.700
   82    HB   THR   9           HB       THR   9  -3.024  14.801 -20.733
   83    HG1  THR   9           HG1      THR   9  -2.007  16.026 -21.933
   84   HG21  THR   9          HG21      THR   9  -2.090  13.721 -18.976
   85   HG22  THR   9          HG22      THR   9  -0.599  13.270 -19.873
   86   HG23  THR   9          HG23      THR   9  -0.885  14.938 -19.340
   87    H    GLY  10           H        GLY  10  -1.604  10.709 -21.376
   88    HA2  GLY  10           HA2      GLY  10   0.123   9.427 -22.314
   89    HA3  GLY  10           HA3      GLY  10   0.615  10.806 -23.317
   90    H    LYS  11           H        LYS  11   0.001  10.832 -19.703
   91    HA   LYS  11           HA       LYS  11   2.984  11.062 -19.348
   92    HB2  LYS  11           HB2      LYS  11   2.015  13.242 -18.929
   93    HB3  LYS  11           HB3      LYS  11   0.775  12.553 -17.875
   94    HG2  LYS  11           HG2      LYS  11   3.631  11.953 -17.182
   95    HG3  LYS  11           HG3      LYS  11   3.117  13.626 -16.987
   96    HD2  LYS  11           HD2      LYS  11   1.763  11.227 -15.686
   97    HD3  LYS  11           HD3      LYS  11   2.981  12.215 -14.909
   98    HE2  LYS  11           HE2      LYS  11   0.329  13.330 -15.956
   99    HE3  LYS  11           HE3      LYS  11   0.548  12.669 -14.338
  100    HZ1  LYS  11           HZ1      LYS  11   0.772  15.030 -14.302
  101    HZ2  LYS  11           HZ2      LYS  11   2.211  14.383 -13.899
  102    HZ3  LYS  11           HZ3      LYS  11   1.994  15.046 -15.396
  103    H    THR  12           H        THR  12   3.676   9.236 -18.280
  104    HA   THR  12           HA       THR  12   1.668   7.764 -16.716
  105    HB   THR  12           HB       THR  12   4.471   6.829 -16.733
  106    HG1  THR  12           HG1      THR  12   4.515   6.275 -18.895
  107   HG21  THR  12          HG21      THR  12   3.324   4.718 -17.136
  108   HG22  THR  12          HG22      THR  12   2.345   5.653 -15.962
  109   HG23  THR  12          HG23      THR  12   1.861   5.539 -17.688
  110    H    ILE  13           H        ILE  13   1.213   8.187 -14.758
  111    HA   ILE  13           HA       ILE  13   3.301   9.427 -13.056
  112    HB   ILE  13           HB       ILE  13   1.673  10.817 -12.780
  113   HG12  ILE  13          HG12      ILE  13   1.916   9.230 -10.554
  114   HG13  ILE  13          HG13      ILE  13   1.116  10.767 -10.628
  115   HG21  ILE  13          HG21      ILE  13  -0.549   8.828 -13.172
  116   HG22  ILE  13          HG22      ILE  13  -0.758  10.553 -12.711
  117   HG23  ILE  13          HG23      ILE  13  -0.009  10.133 -14.267
  118   HD11  ILE  13          HD11      ILE  13  -0.078   8.852  -9.441
  119   HD12  ILE  13          HD12      ILE  13  -1.041   9.850 -10.544
  120   HD13  ILE  13          HD13      ILE  13  -0.424   8.217 -11.038
  121    H    THR  14           H        THR  14   4.438   8.066 -11.935
  122    HA   THR  14           HA       THR  14   3.463   5.390 -11.402
  123    HB   THR  14           HB       THR  14   5.936   6.792 -10.438
  124    HG1  THR  14           HG1      THR  14   6.942   6.087 -12.282
  125   HG21  THR  14          HG21      THR  14   5.671   4.703  -9.208
  126   HG22  THR  14          HG22      THR  14   5.136   3.806 -10.640
  127   HG23  THR  14          HG23      THR  14   6.825   4.319 -10.493
  128    H    LEU  15           H        LEU  15   2.787   4.685  -9.305
  129    HA   LEU  15           HA       LEU  15   3.101   6.563  -7.065
  130    HB2  LEU  15           HB2      LEU  15   0.814   6.487  -6.406
  131    HB3  LEU  15           HB3      LEU  15   0.902   7.158  -8.047
  132    HG   LEU  15           HG       LEU  15   0.274   4.228  -7.860
  133   HD11  LEU  15          HD11      LEU  15  -1.069   5.234  -6.030
  134   HD12  LEU  15          HD12      LEU  15  -1.747   6.399  -7.207
  135   HD13  LEU  15          HD13      LEU  15  -2.061   4.653  -7.371
  136   HD21  LEU  15          HD21      LEU  15   0.404   5.331 -10.016
  137   HD22  LEU  15          HD22      LEU  15  -1.239   4.766  -9.562
  138   HD23  LEU  15          HD23      LEU  15  -0.837   6.497  -9.485
  139    H    GLU  16           H        GLU  16   2.606   5.543  -4.991
  140    HA   GLU  16           HA       GLU  16   3.345   2.690  -5.187
  141    HB2  GLU  16           HB2      GLU  16   3.901   4.830  -3.101
  142    HB3  GLU  16           HB3      GLU  16   3.987   3.101  -2.695
  143    HG2  GLU  16           HG2      GLU  16   5.556   2.708  -4.542
  144    HG3  GLU  16           HG3      GLU  16   5.530   4.425  -4.958
  145    H    VAL  17           H        VAL  17   2.168   1.229  -4.399
  146    HA   VAL  17           HA       VAL  17  -0.405   1.688  -2.984
  147    HB   VAL  17           HB       VAL  17  -1.636   0.548  -4.772
  148   HG11  VAL  17          HG11      VAL  17  -0.078   2.838  -6.023
  149   HG12  VAL  17          HG12      VAL  17  -1.668   2.224  -6.505
  150   HG13  VAL  17          HG13      VAL  17  -1.473   3.009  -4.924
  151   HG21  VAL  17          HG21      VAL  17  -0.599   0.063  -6.967
  152   HG22  VAL  17          HG22      VAL  17   0.991   0.530  -6.342
  153   HG23  VAL  17          HG23      VAL  17   0.124  -0.893  -5.703
  154    H    GLU  18           H        GLU  18  -1.449  -0.802  -3.313
  155    HA   GLU  18           HA       GLU  18   0.582  -2.882  -2.852
  156    HB2  GLU  18           HB2      GLU  18  -1.906  -2.527  -1.111
  157    HB3  GLU  18           HB3      GLU  18  -0.768  -3.864  -1.026
  158    HG2  GLU  18           HG2      GLU  18  -0.267  -0.956  -0.306
  159    HG3  GLU  18           HG3      GLU  18  -0.423  -2.302   0.806
  160    HA   PRO  19           HA       PRO  19  -2.256  -4.775  -5.755
  161    HB2  PRO  19           HB2      PRO  19  -2.375  -7.268  -4.097
  162    HB3  PRO  19           HB3      PRO  19  -1.954  -7.061  -5.831
  163    HG2  PRO  19           HG2      PRO  19  -0.058  -7.542  -3.901
  164    HG3  PRO  19           HG3      PRO  19   0.254  -6.540  -5.342
  165    HD2  PRO  19           HD2      PRO  19  -0.288  -5.664  -2.520
  166    HD3  PRO  19           HD3      PRO  19   0.776  -4.931  -3.755
  167    H    SER  20           H        SER  20  -3.007  -4.916  -2.257
  168    HA   SER  20           HA       SER  20  -5.888  -5.319  -2.817
  169    HB2  SER  20           HB2      SER  20  -4.422  -5.312  -0.153
  170    HB3  SER  20           HB3      SER  20  -6.075  -5.867  -0.477
  171    HG   SER  20           HG       SER  20  -4.554  -7.616  -0.340
  172    H    ASP  21           H        ASP  21  -4.003  -2.768  -3.101
  173    HA   ASP  21           HA       ASP  21  -5.436  -1.000  -1.367
  174    HB2  ASP  21           HB2      ASP  21  -3.130  -0.522  -2.336
  175    HB3  ASP  21           HB3      ASP  21  -3.944  -0.228  -3.889
  176    H    THR  22           H        THR  22  -7.284   0.139  -1.948
  177    HA   THR  22           HA       THR  22  -8.854  -1.082  -4.038
  178    HB   THR  22           HB       THR  22 -10.607   0.642  -3.334
  179    HG1  THR  22           HG1      THR  22 -10.213   1.450  -1.161
  180   HG21  THR  22          HG21      THR  22 -11.270  -0.685  -1.388
  181   HG22  THR  22          HG22      THR  22 -10.772  -1.668  -2.768
  182   HG23  THR  22          HG23      THR  22  -9.664  -1.472  -1.374
  183    H    ILE  23           H        ILE  23  -9.657  -0.190  -5.819
  184    HA   ILE  23           HA       ILE  23  -8.374   1.803  -7.284
  185    HB   ILE  23           HB       ILE  23 -11.319   1.171  -7.249
  186   HG12  ILE  23          HG12      ILE  23 -10.561  -0.897  -7.762
  187   HG13  ILE  23          HG13      ILE  23 -10.544  -0.175  -9.371
  188   HG21  ILE  23          HG21      ILE  23 -10.861   3.230  -8.540
  189   HG22  ILE  23          HG22      ILE  23  -9.651   2.354  -9.495
  190   HG23  ILE  23          HG23      ILE  23 -11.378   1.923  -9.596
  191   HD11  ILE  23          HD11      ILE  23  -8.148  -0.681  -7.591
  192   HD12  ILE  23          HD12      ILE  23  -8.570  -1.497  -9.085
  193   HD13  ILE  23          HD13      ILE  23  -8.087   0.215  -9.132
  194    H    GLU  24           H        GLU  24 -11.126   2.400  -4.921
  195    HA   GLU  24           HA       GLU  24 -11.357   5.135  -5.480
  196    HB2  GLU  24           HB2      GLU  24 -12.823   3.718  -3.983
  197    HB3  GLU  24           HB3      GLU  24 -11.598   3.825  -2.729
  198    HG2  GLU  24           HG2      GLU  24 -11.833   6.305  -2.712
  199    HG3  GLU  24           HG3      GLU  24 -13.007   6.205  -4.028
  200    H    ASN  25           H        ASN  25  -9.089   3.494  -3.273
  201    HA   ASN  25           HA       ASN  25  -8.032   6.010  -2.238
  202    HB2  ASN  25           HB2      ASN  25  -8.077   3.895  -0.921
  203    HB3  ASN  25           HB3      ASN  25  -6.909   3.202  -2.054
  204   HD21  ASN  25          HD22      ASN  25  -5.120   3.004  -0.747
  205   HD22  ASN  25          HD21      ASN  25  -4.399   4.307   0.198
  206    H    VAL  26           H        VAL  26  -7.108   3.680  -4.770
  207    HA   VAL  26           HA       VAL  26  -4.607   4.843  -5.505
  208    HB   VAL  26           HB       VAL  26  -6.754   3.205  -6.851
  209   HG11  VAL  26          HG11      VAL  26  -4.098   3.995  -8.091
  210   HG12  VAL  26          HG12      VAL  26  -5.188   2.725  -8.699
  211   HG13  VAL  26          HG13      VAL  26  -5.727   4.425  -8.659
  212   HG21  VAL  26          HG21      VAL  26  -5.293   2.196  -5.028
  213   HG22  VAL  26          HG22      VAL  26  -5.286   1.346  -6.565
  214   HG23  VAL  26          HG23      VAL  26  -3.922   2.404  -6.105
  215    H    LYS  27           H        LYS  27  -7.967   5.425  -6.857
  216    HA   LYS  27           HA       LYS  27  -7.209   7.581  -8.495
  217    HB2  LYS  27           HB2      LYS  27  -9.796   7.215  -6.875
  218    HB3  LYS  27           HB3      LYS  27  -9.584   8.455  -8.105
  219    HG2  LYS  27           HG2      LYS  27  -9.375   6.656  -9.838
  220    HG3  LYS  27           HG3      LYS  27  -9.778   5.462  -8.578
  221    HD2  LYS  27           HD2      LYS  27 -11.799   7.039  -8.054
  222    HD3  LYS  27           HD3      LYS  27 -11.449   7.783  -9.623
  223    HE2  LYS  27           HE2      LYS  27 -11.876   5.669 -10.758
  224    HE3  LYS  27           HE3      LYS  27 -12.179   4.884  -9.187
  225    HZ1  LYS  27           HZ1      LYS  27 -14.260   5.690 -10.337
  226    HZ2  LYS  27           HZ2      LYS  27 -14.077   6.229  -8.818
  227    HZ3  LYS  27           HZ3      LYS  27 -13.768   7.255 -10.091
  228    H    ALA  28           H        ALA  28  -7.853   7.614  -4.933
  229    HA   ALA  28           HA       ALA  28  -7.769  10.482  -4.736
  230    HB1  ALA  28           HB1      ALA  28  -7.420  10.132  -2.354
  231    HB2  ALA  28           HB2      ALA  28  -8.692   9.039  -2.947
  232    HB3  ALA  28           HB3      ALA  28  -7.047   8.420  -2.610
  233    H    LYS  29           H        LYS  29  -5.181   7.968  -4.723
  234    HA   LYS  29           HA       LYS  29  -3.051   9.864  -4.147
  235    HB2  LYS  29           HB2      LYS  29  -3.060   7.179  -5.554
  236    HB3  LYS  29           HB3      LYS  29  -1.598   8.126  -5.210
  237    HG2  LYS  29           HG2      LYS  29  -1.984   8.024  -2.835
  238    HG3  LYS  29           HG3      LYS  29  -3.599   7.321  -3.060
  239    HD2  LYS  29           HD2      LYS  29  -2.646   5.286  -4.006
  240    HD3  LYS  29           HD3      LYS  29  -1.005   5.944  -3.891
  241    HE2  LYS  29           HE2      LYS  29  -2.580   6.036  -1.364
  242    HE3  LYS  29           HE3      LYS  29  -2.275   4.392  -1.960
  243    HZ1  LYS  29           HZ1      LYS  29   0.109   4.898  -1.991
  244    HZ2  LYS  29           HZ2      LYS  29  -0.156   6.420  -1.408
  245    HZ3  LYS  29           HZ3      LYS  29  -0.503   5.125  -0.483
  246    H    ILE  30           H        ILE  30  -4.764   8.822  -7.121
  247    HA   ILE  30           HA       ILE  30  -3.079  10.362  -8.879
  248    HB   ILE  30           HB       ILE  30  -6.005   9.834  -9.357
  249   HG12  ILE  30          HG12      ILE  30  -5.280   7.658  -8.997
  250   HG13  ILE  30          HG13      ILE  30  -5.232   7.833 -10.726
  251   HG21  ILE  30          HG21      ILE  30  -5.052  11.412 -10.917
  252   HG22  ILE  30          HG22      ILE  30  -3.623  10.371 -11.174
  253   HG23  ILE  30          HG23      ILE  30  -5.225   9.866 -11.758
  254   HD11  ILE  30          HD11      ILE  30  -2.816   7.969 -10.669
  255   HD12  ILE  30          HD12      ILE  30  -2.813   8.083  -8.885
  256   HD13  ILE  30          HD13      ILE  30  -3.404   6.602  -9.635
  257    H    GLN  31           H        GLN  31  -6.002  11.267  -7.066
  258    HA   GLN  31           HA       GLN  31  -6.203  13.936  -7.924
  259    HB2  GLN  31           HB2      GLN  31  -7.840  12.739  -6.430
  260    HB3  GLN  31           HB3      GLN  31  -6.688  12.957  -5.112
  261    HG2  GLN  31           HG2      GLN  31  -6.946  15.564  -5.993
  262    HG3  GLN  31           HG3      GLN  31  -8.555  14.936  -6.314
  263   HE21  GLN  31          HE22      GLN  31  -9.886  14.224  -4.463
  264   HE22  GLN  31          HE21      GLN  31  -9.405  14.610  -2.828
  265    H    ASP  32           H        ASP  32  -4.073  12.423  -5.480
  266    HA   ASP  32           HA       ASP  32  -2.930  14.885  -4.575
  267    HB2  ASP  32           HB2      ASP  32  -2.784  12.793  -3.295
  268    HB3  ASP  32           HB3      ASP  32  -1.753  12.091  -4.527
  269    H    LYS  33           H        LYS  33  -2.194  12.748  -7.388
  270    HA   LYS  33           HA       LYS  33   0.293  14.194  -7.933
  271    HB2  LYS  33           HB2      LYS  33  -1.190  11.915  -9.248
  272    HB3  LYS  33           HB3      LYS  33   0.385  12.527  -9.754
  273    HG2  LYS  33           HG2      LYS  33  -0.047  11.646  -6.858
  274    HG3  LYS  33           HG3      LYS  33   0.186  10.453  -8.095
  275    HD2  LYS  33           HD2      LYS  33   2.335  11.731  -8.798
  276    HD3  LYS  33           HD3      LYS  33   2.136  12.630  -7.273
  277    HE2  LYS  33           HE2      LYS  33   2.099  10.389  -6.083
  278    HE3  LYS  33           HE3      LYS  33   2.425   9.610  -7.648
  279    HZ1  LYS  33           HZ1      LYS  33   4.222  11.569  -6.297
  280    HZ2  LYS  33           HZ2      LYS  33   4.469   9.954  -6.360
  281    HZ3  LYS  33           HZ3      LYS  33   4.538  10.828  -7.730
  282    H    GLU  34           H        GLU  34  -2.918  13.960  -9.258
  283    HA   GLU  34           HA       GLU  34  -2.248  15.617 -11.606
  284    HB2  GLU  34           HB2      GLU  34  -4.464  13.588 -11.031
  285    HB3  GLU  34           HB3      GLU  34  -4.273  14.465 -12.557
  286    HG2  GLU  34           HG2      GLU  34  -2.464  12.364 -11.351
  287    HG3  GLU  34           HG3      GLU  34  -3.331  12.307 -12.889
  288    H    GLY  35           H        GLY  35  -4.536  15.331  -8.908
  289    HA2  GLY  35           HA2      GLY  35  -5.423  17.229  -7.843
  290    HA3  GLY  35           HA3      GLY  35  -5.380  18.131  -9.358
  291    H    ILE  36           H        ILE  36  -6.676  14.907  -9.698
  292    HA   ILE  36           HA       ILE  36  -9.289  16.172 -10.245
  293    HB   ILE  36           HB       ILE  36  -8.075  13.513 -11.062
  294   HG12  ILE  36          HG12      ILE  36  -8.412  16.094 -12.700
  295   HG13  ILE  36          HG13      ILE  36  -6.884  15.578 -11.995
  296   HG21  ILE  36          HG21      ILE  36 -10.506  14.989 -12.200
  297   HG22  ILE  36          HG22      ILE  36  -9.951  13.356 -12.637
  298   HG23  ILE  36          HG23      ILE  36 -10.643  13.659 -11.045
  299   HD11  ILE  36          HD11      ILE  36  -7.020  13.448 -13.229
  300   HD12  ILE  36          HD12      ILE  36  -8.453  14.096 -14.094
  301   HD13  ILE  36          HD13      ILE  36  -6.875  14.897 -14.255
  302    HA   PRO  37           HA       PRO  37 -10.627  13.980  -6.538
  303    HB2  PRO  37           HB2      PRO  37 -13.409  14.427  -6.874
  304    HB3  PRO  37           HB3      PRO  37 -12.236  15.446  -5.985
  305    HG2  PRO  37           HG2      PRO  37 -13.517  15.968  -8.585
  306    HG3  PRO  37           HG3      PRO  37 -12.615  17.069  -7.518
  307    HD2  PRO  37           HD2      PRO  37 -11.677  15.774  -9.948
  308    HD3  PRO  37           HD3      PRO  37 -10.794  16.887  -8.863
  309    HA   PRO  38           HA       PRO  38 -11.317  10.064  -8.163
  310    HB2  PRO  38           HB2      PRO  38 -12.700   8.679  -6.240
  311    HB3  PRO  38           HB3      PRO  38 -10.951   9.074  -6.150
  312    HG2  PRO  38           HG2      PRO  38 -13.251  10.518  -4.835
  313    HG3  PRO  38           HG3      PRO  38 -11.655  10.101  -4.134
  314    HD2  PRO  38           HD2      PRO  38 -12.159  12.591  -5.084
  315    HD3  PRO  38           HD3      PRO  38 -10.565  11.817  -5.362
  316    H    ASP  39           H        ASP  39 -14.349  11.497  -6.929
  317    HA   ASP  39           HA       ASP  39 -15.902   9.516  -8.362
  318    HB2  ASP  39           HB2      ASP  39 -17.810  10.556  -7.574
  319    HB3  ASP  39           HB3      ASP  39 -16.656  11.001  -6.331
  320    H    GLN  40           H        GLN  40 -14.259  12.392  -9.205
  321    HA   GLN  40           HA       GLN  40 -15.779  12.850 -11.708
  322    HB2  GLN  40           HB2      GLN  40 -15.236  14.734 -10.320
  323    HB3  GLN  40           HB3      GLN  40 -13.526  14.300 -10.256
  324    HG2  GLN  40           HG2      GLN  40 -13.101  15.019 -12.418
  325    HG3  GLN  40           HG3      GLN  40 -14.798  14.944 -12.910
  326   HE21  GLN  40          HE22      GLN  40 -16.311  16.573 -11.963
  327   HE22  GLN  40          HE21      GLN  40 -15.675  18.158 -11.531
  328    H    GLN  41           H        GLN  41 -13.385  10.733 -10.741
  329    HA   GLN  41           HA       GLN  41 -11.752  10.850 -13.214
  330    HB2  GLN  41           HB2      GLN  41 -10.936  11.463 -10.854
  331    HB3  GLN  41           HB3      GLN  41 -11.255   9.806 -10.382
  332    HG2  GLN  41           HG2      GLN  41  -9.597   9.205 -12.303
  333    HG3  GLN  41           HG3      GLN  41  -9.208  10.948 -12.256
  334   HE21  GLN  41          HE22      GLN  41  -8.999  11.621  -9.516
  335   HE22  GLN  41          HE21      GLN  41  -7.952  10.493  -8.710
  336    H    ARG  42           H        ARG  42 -11.503   8.784 -14.339
  337    HA   ARG  42           HA       ARG  42 -12.782   6.422 -13.014
  338    HB2  ARG  42           HB2      ARG  42 -13.387   7.502 -15.594
  339    HB3  ARG  42           HB3      ARG  42 -12.479   5.981 -15.860
  340    HG2  ARG  42           HG2      ARG  42 -13.991   4.657 -14.866
  341    HG3  ARG  42           HG3      ARG  42 -14.739   5.976 -13.901
  342    HD2  ARG  42           HD2      ARG  42 -15.737   6.872 -16.033
  343    HD3  ARG  42           HD3      ARG  42 -15.051   5.495 -16.907
  344    HE   ARG  42           HE       ARG  42 -16.521   4.444 -14.722
  345   HH11  ARG  42          HH12      ARG  42 -17.299   6.197 -17.747
  346   HH12  ARG  42          HH11      ARG  42 -18.917   5.545 -17.820
  347   HH21  ARG  42          HH21      ARG  42 -18.653   3.651 -14.864
  348   HH22  ARG  42          HH22      ARG  42 -19.684   4.128 -16.177
  349    H    LEU  43           H        LEU  43 -11.705   4.369 -13.533
  350    HA   LEU  43           HA       LEU  43  -8.846   4.711 -14.262
  351    HB2  LEU  43           HB2      LEU  43  -9.830   4.094 -11.658
  352    HB3  LEU  43           HB3      LEU  43  -9.425   2.529 -12.357
  353    HG   LEU  43           HG       LEU  43  -7.147   3.284 -12.823
  354   HD11  LEU  43          HD11      LEU  43  -7.333   5.697 -13.198
  355   HD12  LEU  43          HD12      LEU  43  -8.091   5.954 -11.620
  356   HD13  LEU  43          HD13      LEU  43  -6.379   5.493 -11.734
  357   HD21  LEU  43          HD21      LEU  43  -8.010   3.925  -9.949
  358   HD22  LEU  43          HD22      LEU  43  -7.724   2.279 -10.603
  359   HD23  LEU  43          HD23      LEU  43  -6.402   3.447 -10.505
  360    H    ILE  44           H        ILE  44  -8.336   3.495 -15.853
  361    HA   ILE  44           HA       ILE  44  -9.937   1.046 -16.483
  362    HB   ILE  44           HB       ILE  44  -8.699   3.108 -18.373
  363   HG12  ILE  44          HG12      ILE  44 -11.577   2.043 -18.221
  364   HG13  ILE  44          HG13      ILE  44 -11.063   3.366 -17.190
  365   HG21  ILE  44          HG21      ILE  44  -8.251   0.907 -19.408
  366   HG22  ILE  44          HG22      ILE  44  -9.984   0.477 -19.226
  367   HG23  ILE  44          HG23      ILE  44  -9.475   1.808 -20.280
  368   HD11  ILE  44          HD11      ILE  44 -12.002   4.519 -18.839
  369   HD12  ILE  44          HD12      ILE  44 -10.317   4.546 -19.353
  370   HD13  ILE  44          HD13      ILE  44 -11.448   3.419 -20.146
  371    H    PHE  45           H        PHE  45  -8.763  -0.720 -17.247
  372    HA   PHE  45           HA       PHE  45  -5.800  -0.564 -17.140
  373    HB2  PHE  45           HB2      PHE  45  -6.436  -1.288 -14.892
  374    HB3  PHE  45           HB3      PHE  45  -7.643  -2.400 -15.549
  375    HD1  PHE  45           HD1      PHE  45  -4.004  -1.749 -16.238
  376    HD2  PHE  45           HD2      PHE  45  -7.051  -4.660 -15.321
  377    HE1  PHE  45           HE1      PHE  45  -2.293  -3.546 -16.262
  378    HE2  PHE  45           HE2      PHE  45  -5.339  -6.444 -15.283
  379    HZ   PHE  45           HZ       PHE  45  -2.967  -5.909 -15.727
  380    H    ALA  46           H        ALA  46  -5.274  -1.370 -19.130
  381    HA   ALA  46           HA       ALA  46  -5.262  -2.670 -20.984
  382    HB1  ALA  46           HB1      ALA  46  -5.346  -5.090 -20.458
  383    HB2  ALA  46           HB2      ALA  46  -4.596  -4.211 -19.100
  384    HB3  ALA  46           HB3      ALA  46  -6.293  -4.738 -18.991
  385    H    GLY  47           H        GLY  47  -7.587  -1.230 -20.882
  386    HA2  GLY  47           HA2      GLY  47  -9.427  -1.017 -22.293
  387    HA3  GLY  47           HA3      GLY  47  -9.240  -2.701 -22.792
  388    H    LYS  48           H        LYS  48  -9.380  -2.289 -19.353
  389    HA   LYS  48           HA       LYS  48 -12.286  -2.924 -19.217
  390    HB2  LYS  48           HB2      LYS  48 -11.083  -4.968 -19.060
  391    HB3  LYS  48           HB3      LYS  48  -9.851  -4.295 -18.004
  392    HG2  LYS  48           HG2      LYS  48 -11.340  -4.124 -16.158
  393    HG3  LYS  48           HG3      LYS  48 -12.742  -4.589 -17.145
  394    HD2  LYS  48           HD2      LYS  48 -10.330  -6.354 -16.514
  395    HD3  LYS  48           HD3      LYS  48 -11.879  -6.404 -15.660
  396    HE2  LYS  48           HE2      LYS  48 -13.032  -6.983 -17.815
  397    HE3  LYS  48           HE3      LYS  48 -11.457  -7.016 -18.626
  398    HZ1  LYS  48           HZ1      LYS  48 -12.271  -8.817 -16.403
  399    HZ2  LYS  48           HZ2      LYS  48 -12.165  -9.228 -17.978
  400    HZ3  LYS  48           HZ3      LYS  48 -10.810  -8.846 -17.155
  401    H    GLN  49           H        GLN  49 -13.275  -1.427 -18.065
  402    HA   GLN  49           HA       GLN  49 -11.999   0.626 -16.456
  403    HB2  GLN  49           HB2      GLN  49 -14.296   0.574 -17.681
  404    HB3  GLN  49           HB3      GLN  49 -14.859  -0.423 -16.325
  405    HG2  GLN  49           HG2      GLN  49 -14.072   1.593 -14.845
  406    HG3  GLN  49           HG3      GLN  49 -14.065   2.495 -16.368
  407   HE21  GLN  49          HE22      GLN  49 -16.440   1.292 -17.635
  408   HE22  GLN  49          HE21      GLN  49 -17.809   1.728 -16.656
  409    H    LEU  50           H        LEU  50 -11.892   0.754 -14.192
  410    HA   LEU  50           HA       LEU  50 -12.462  -1.751 -12.645
  411    HB2  LEU  50           HB2      LEU  50 -10.661   0.484 -11.703
  412    HB3  LEU  50           HB3      LEU  50 -10.759  -1.198 -11.172
  413    HG   LEU  50           HG       LEU  50  -9.475  -0.122 -13.694
  414   HD11  LEU  50          HD11      LEU  50  -8.264  -1.637 -11.355
  415   HD12  LEU  50          HD12      LEU  50  -7.405  -0.949 -12.749
  416   HD13  LEU  50          HD13      LEU  50  -8.192   0.135 -11.594
  417   HD21  LEU  50          HD21      LEU  50 -10.385  -2.875 -13.082
  418   HD22  LEU  50          HD22      LEU  50 -10.008  -2.136 -14.636
  419   HD23  LEU  50          HD23      LEU  50  -8.714  -2.783 -13.615
  420    H    GLU  51           H        GLU  51 -13.469  -1.334 -10.421
  421    HA   GLU  51           HA       GLU  51 -14.841   1.308 -10.388
  422    HB2  GLU  51           HB2      GLU  51 -16.809   0.374  -9.523
  423    HB3  GLU  51           HB3      GLU  51 -16.376  -0.506 -10.990
  424    HG2  GLU  51           HG2      GLU  51 -15.461  -2.327  -9.574
  425    HG3  GLU  51           HG3      GLU  51 -15.995  -1.426  -8.134
  426    H    ASP  52           H        ASP  52 -15.387   2.141  -8.273
  427    HA   ASP  52           HA       ASP  52 -12.985   2.558  -6.899
  428    HB2  ASP  52           HB2      ASP  52 -15.874   3.219  -6.303
  429    HB3  ASP  52           HB3      ASP  52 -14.611   3.612  -5.150
  430    H    GLY  53           H        GLY  53 -15.632   0.352  -6.137
  431    HA2  GLY  53           HA2      GLY  53 -14.732  -0.236  -3.463
  432    HA3  GLY  53           HA3      GLY  53 -16.033  -1.031  -4.381
  433    H    ARG  54           H        ARG  54 -13.097  -1.072  -6.150
  434    HA   ARG  54           HA       ARG  54 -12.605  -3.924  -5.369
  435    HB2  ARG  54           HB2      ARG  54 -12.567  -2.521  -8.061
  436    HB3  ARG  54           HB3      ARG  54 -12.044  -4.206  -7.797
  437    HG2  ARG  54           HG2      ARG  54 -14.840  -3.080  -7.414
  438    HG3  ARG  54           HG3      ARG  54 -14.311  -4.133  -8.731
  439    HD2  ARG  54           HD2      ARG  54 -13.867  -5.895  -6.997
  440    HD3  ARG  54           HD3      ARG  54 -14.609  -4.810  -5.813
  441    HE   ARG  54           HE       ARG  54 -16.690  -5.186  -6.670
  442   HH11  ARG  54          HH21      ARG  54 -14.307  -6.805  -8.794
  443   HH12  ARG  54          HH22      ARG  54 -15.512  -7.647  -9.704
  444   HH21  ARG  54          HH11      ARG  54 -18.271  -6.332  -7.879
  445   HH22  ARG  54          HH12      ARG  54 -17.805  -7.373  -9.170
  446    H    THR  55           H        THR  55 -10.300  -4.574  -6.443
  447    HA   THR  55           HA       THR  55  -8.389  -2.492  -5.498
  448    HB   THR  55           HB       THR  55  -7.187  -4.377  -4.459
  449    HG1  THR  55           HG1      THR  55  -7.976  -6.362  -4.546
  450   HG21  THR  55          HG21      THR  55  -9.952  -3.921  -3.276
  451   HG22  THR  55          HG22      THR  55  -8.570  -4.642  -2.422
  452   HG23  THR  55          HG23      THR  55  -8.469  -2.974  -2.984
  453    H    LEU  56           H        LEU  56  -6.153  -3.173  -6.030
  454    HA   LEU  56           HA       LEU  56  -6.081  -3.509  -8.919
  455    HB2  LEU  56           HB2      LEU  56  -3.753  -3.795  -6.966
  456    HB3  LEU  56           HB3      LEU  56  -3.643  -3.406  -8.666
  457    HG   LEU  56           HG       LEU  56  -4.803  -1.641  -6.484
  458   HD11  LEU  56          HD11      LEU  56  -2.372  -1.733  -6.498
  459   HD12  LEU  56          HD12      LEU  56  -2.328  -1.370  -8.244
  460   HD13  LEU  56          HD13      LEU  56  -2.934  -0.158  -7.086
  461   HD21  LEU  56          HD21      LEU  56  -6.073  -1.258  -8.548
  462   HD22  LEU  56          HD22      LEU  56  -4.949   0.089  -8.356
  463   HD23  LEU  56          HD23      LEU  56  -4.584  -1.194  -9.519
  464    H    SER  57           H        SER  57  -5.487  -5.682  -6.212
  465    HA   SER  57           HA       SER  57  -4.802  -8.025  -7.608
  466    HB2  SER  57           HB2      SER  57  -5.736  -9.086  -5.497
  467    HB3  SER  57           HB3      SER  57  -4.434  -7.891  -5.289
  468    HG   SER  57           HG       SER  57  -6.187  -7.632  -3.791
  469    H    ASP  58           H        ASP  58  -8.052  -6.553  -7.020
  470    HA   ASP  58           HA       ASP  58  -9.560  -8.904  -7.654
  471    HB2  ASP  58           HB2      ASP  58 -10.462  -6.885  -6.506
  472    HB3  ASP  58           HB3      ASP  58 -10.317  -5.999  -8.027
  473    H    TYR  59           H        TYR  59  -7.708  -6.701  -9.477
  474    HA   TYR  59           HA       TYR  59  -8.743  -7.715 -12.091
  475    HB2  TYR  59           HB2      TYR  59  -7.359  -5.126 -11.401
  476    HB3  TYR  59           HB3      TYR  59  -7.893  -5.589 -13.023
  477    HD1  TYR  59           HD2      TYR  59 -10.478  -6.240 -13.207
  478    HD2  TYR  59           HD1      TYR  59  -8.774  -3.797 -10.065
  479    HE1  TYR  59           HE2      TYR  59 -12.708  -5.290 -12.734
  480    HE2  TYR  59           HE1      TYR  59 -10.980  -2.956  -9.518
  481    HH   TYR  59           HH       TYR  59 -13.944  -3.813 -11.403
  482    H    ASN  60           H        ASN  60  -6.446  -8.455 -10.022
  483    HA   ASN  60           HA       ASN  60  -4.583  -9.608 -10.050
  484    HB2  ASN  60           HB2      ASN  60  -6.043 -10.765 -11.981
  485    HB3  ASN  60           HB3      ASN  60  -4.694 -10.239 -12.983
  486   HD21  ASN  60          HD22      ASN  60  -5.482 -11.907  -9.903
  487   HD22  ASN  60          HD21      ASN  60  -4.156 -13.053  -9.961
  488    H    ILE  61           H        ILE  61  -4.536  -6.720 -10.847
  489    HA   ILE  61           HA       ILE  61  -2.102  -6.211 -12.343
  490    HB   ILE  61           HB       ILE  61  -3.765  -4.741 -10.290
  491   HG12  ILE  61          HG12      ILE  61  -3.619  -3.975 -13.204
  492   HG13  ILE  61          HG13      ILE  61  -4.725  -5.234 -12.677
  493   HG21  ILE  61          HG21      ILE  61  -1.501  -3.602 -11.991
  494   HG22  ILE  61          HG22      ILE  61  -2.582  -2.629 -10.969
  495   HG23  ILE  61          HG23      ILE  61  -1.492  -3.783 -10.222
  496   HD11  ILE  61          HD11      ILE  61  -4.699  -2.417 -11.555
  497   HD12  ILE  61          HD12      ILE  61  -5.857  -3.072 -12.740
  498   HD13  ILE  61          HD13      ILE  61  -5.786  -3.711 -11.082
  499    H    GLN  62           H        GLN  62  -0.041  -6.015 -11.460
  500    HA   GLN  62           HA       GLN  62   0.369  -6.638  -8.572
  501    HB2  GLN  62           HB2      GLN  62   2.021  -7.601 -10.965
  502    HB3  GLN  62           HB3      GLN  62   2.367  -7.941  -9.267
  503    HG2  GLN  62           HG2      GLN  62   0.245  -9.213  -9.066
  504    HG3  GLN  62           HG3      GLN  62  -0.128  -8.851 -10.750
  505   HE21  GLN  62          HE22      GLN  62   0.129 -10.659 -11.974
  506   HE22  GLN  62          HE21      GLN  62   1.466 -11.784 -11.847
  507    H    LYS  63           H        LYS  63   3.050  -6.066  -8.419
  508    HA   LYS  63           HA       LYS  63   3.323  -3.281  -8.638
  509    HB2  LYS  63           HB2      LYS  63   5.602  -3.691  -7.964
  510    HB3  LYS  63           HB3      LYS  63   4.603  -4.935  -7.158
  511    HG2  LYS  63           HG2      LYS  63   5.272  -6.497  -9.051
  512    HG3  LYS  63           HG3      LYS  63   6.436  -5.251  -9.533
  513    HD2  LYS  63           HD2      LYS  63   7.358  -5.310  -7.156
  514    HD3  LYS  63           HD3      LYS  63   6.311  -6.718  -6.862
  515    HE2  LYS  63           HE2      LYS  63   7.431  -7.878  -8.784
  516    HE3  LYS  63           HE3      LYS  63   8.496  -6.471  -8.972
  517    HZ1  LYS  63           HZ1      LYS  63   9.367  -6.913  -6.748
  518    HZ2  LYS  63           HZ2      LYS  63   8.374  -8.205  -6.563
  519    HZ3  LYS  63           HZ3      LYS  63   9.547  -8.236  -7.689
  520    H    GLU  64           H        GLU  64   4.832  -2.125  -9.823
  521    HA   GLU  64           HA       GLU  64   5.404  -1.174 -11.693
  522    HB2  GLU  64           HB2      GLU  64   7.424  -1.999 -12.683
  523    HB3  GLU  64           HB3      GLU  64   7.421  -2.404 -10.974
  524    HG2  GLU  64           HG2      GLU  64   6.704  -4.767 -11.760
  525    HG3  GLU  64           HG3      GLU  64   7.103  -4.188 -13.383
  526    H    SER  65           H        SER  65   3.017  -1.770 -11.947
  527    HA   SER  65           HA       SER  65   2.641  -2.949 -14.697
  528    HB2  SER  65           HB2      SER  65   0.796  -3.214 -12.302
  529    HB3  SER  65           HB3      SER  65   0.399  -3.704 -13.953
  530    HG   SER  65           HG       SER  65   2.588  -4.720 -12.435
  531    H    THR  66           H        THR  66   0.899  -2.002 -15.904
  532    HA   THR  66           HA       THR  66   0.828   0.884 -15.315
  533    HB   THR  66           HB       THR  66   0.458  -0.553 -17.979
  534    HG1  THR  66           HG1      THR  66   2.614  -0.187 -18.314
  535   HG21  THR  66          HG21      THR  66   0.995   1.595 -19.040
  536   HG22  THR  66          HG22      THR  66  -0.467   1.732 -18.082
  537   HG23  THR  66          HG23      THR  66   1.058   2.393 -17.452
  538    H    LEU  67           H        LEU  67  -0.998   2.064 -15.498
  539    HA   LEU  67           HA       LEU  67  -3.659   0.776 -15.839
  540    HB2  LEU  67           HB2      LEU  67  -2.386   1.876 -13.481
  541    HB3  LEU  67           HB3      LEU  67  -3.544   3.082 -14.059
  542    HG   LEU  67           HG       LEU  67  -5.321   1.392 -14.022
  543   HD11  LEU  67          HD11      LEU  67  -3.184  -0.316 -12.607
  544   HD12  LEU  67          HD12      LEU  67  -4.926  -0.705 -12.799
  545   HD13  LEU  67          HD13      LEU  67  -3.857  -0.659 -14.204
  546   HD21  LEU  67          HD21      LEU  67  -4.862   2.952 -12.142
  547   HD22  LEU  67          HD22      LEU  67  -5.558   1.401 -11.590
  548   HD23  LEU  67          HD23      LEU  67  -3.818   1.719 -11.387
  549    H    HIS  68           H        HIS  68  -5.342   2.670 -16.052
  550    HA   HIS  68           HA       HIS  68  -4.204   4.874 -17.748
  551    HB2  HIS  68           HB2      HIS  68  -6.419   2.920 -18.289
  552    HB3  HIS  68           HB3      HIS  68  -6.641   4.574 -18.827
  553    HD2  HIS  68           HD2      HIS  68  -5.465   5.356 -20.972
  554    HE1  HIS  68           HE1      HIS  68  -3.457   1.738 -21.982
  555    H    LEU  69           H        LEU  69  -4.944   7.000 -17.093
  556    HA   LEU  69           HA       LEU  69  -7.161   7.101 -15.052
  557    HB2  LEU  69           HB2      LEU  69  -5.034   8.126 -14.371
  558    HB3  LEU  69           HB3      LEU  69  -4.867   8.904 -15.936
  559    HG   LEU  69           HG       LEU  69  -5.205  10.364 -14.046
  560   HD11  LEU  69          HD11      LEU  69  -7.367  10.851 -16.108
  561   HD12  LEU  69          HD12      LEU  69  -6.459  12.012 -15.139
  562   HD13  LEU  69          HD13      LEU  69  -5.631  11.109 -16.399
  563   HD21  LEU  69          HD21      LEU  69  -6.991   8.919 -12.979
  564   HD22  LEU  69          HD22      LEU  69  -7.238  10.685 -13.032
  565   HD23  LEU  69          HD23      LEU  69  -8.129   9.623 -14.162
  566    H    VAL  70           H        VAL  70  -9.073   8.072 -15.751
  567    HA   VAL  70           HA       VAL  70  -8.880   9.955 -18.061
  568    HB   VAL  70           HB       VAL  70 -10.690   9.087 -19.210
  569   HG11  VAL  70          HG11      VAL  70  -9.565   6.442 -18.206
  570   HG12  VAL  70          HG12      VAL  70 -10.239   6.839 -19.811
  571   HG13  VAL  70          HG13      VAL  70  -8.668   7.506 -19.287
  572   HG21  VAL  70          HG21      VAL  70 -12.165   7.162 -18.413
  573   HG22  VAL  70          HG22      VAL  70 -11.349   7.396 -16.843
  574   HG23  VAL  70          HG23      VAL  70 -12.385   8.678 -17.552
  575    H    LEU  71           H        LEU  71 -10.835  11.344 -18.121
  576    HA   LEU  71           HA       LEU  71 -11.748  12.067 -15.381
  577    HB2  LEU  71           HB2      LEU  71 -10.937  13.796 -17.155
  578    HB3  LEU  71           HB3      LEU  71 -12.318  13.277 -18.117
  579    HG   LEU  71           HG       LEU  71 -13.805  13.943 -16.136
  580   HD11  LEU  71          HD11      LEU  71 -12.883  15.670 -14.650
  581   HD12  LEU  71          HD12      LEU  71 -12.166  14.069 -14.366
  582   HD13  LEU  71          HD13      LEU  71 -11.252  15.315 -15.262
  583   HD21  LEU  71          HD21      LEU  71 -12.314  15.889 -17.886
  584   HD22  LEU  71          HD22      LEU  71 -13.903  15.109 -18.152
  585   HD23  LEU  71          HD23      LEU  71 -13.707  16.353 -16.884
  586    H    ARG  72           H        ARG  72 -13.914  11.591 -14.880
  587    HA   ARG  72           HA       ARG  72 -15.749  11.034 -17.141
  588    HB2  ARG  72           HB2      ARG  72 -16.742   9.160 -16.184
  589    HB3  ARG  72           HB3      ARG  72 -15.016   8.898 -16.075
  590    HG2  ARG  72           HG2      ARG  72 -15.055   8.749 -13.792
  591    HG3  ARG  72           HG3      ARG  72 -16.075  10.157 -13.590
  592    HD2  ARG  72           HD2      ARG  72 -17.007   7.381 -14.353
  593    HD3  ARG  72           HD3      ARG  72 -17.199   8.163 -12.760
  594    HE   ARG  72           HE       ARG  72 -18.422   9.865 -14.595
  595   HH11  ARG  72          HH11      ARG  72 -19.023   6.643 -13.215
  596   HH12  ARG  72          HH12      ARG  72 -20.696   6.631 -13.630
  597   HH21  ARG  72          HH21      ARG  72 -20.645   9.837 -15.157
  598   HH22  ARG  72          HH22      ARG  72 -21.634   8.487 -14.730
  599    H    LEU  73           H        LEU  73 -15.198  13.369 -15.454
  600    HA   LEU  73           HA       LEU  73 -16.376  15.180 -14.851
  601    HB2  LEU  73           HB2      LEU  73 -18.833  13.707 -15.868
  602    HB3  LEU  73           HB3      LEU  73 -18.689  15.415 -15.547
  603    HG   LEU  73           HG       LEU  73 -18.589  15.033 -17.878
  604   HD11  LEU  73          HD11      LEU  73 -16.571  16.241 -18.484
  605   HD12  LEU  73          HD12      LEU  73 -17.291  16.879 -16.999
  606   HD13  LEU  73          HD13      LEU  73 -15.858  15.849 -16.894
  607   HD21  LEU  73          HD21      LEU  73 -17.102  13.780 -19.147
  608   HD22  LEU  73          HD22      LEU  73 -16.022  13.445 -17.798
  609   HD23  LEU  73          HD23      LEU  73 -17.642  12.682 -17.908
  610    H    ARG  74           H        ARG  74 -18.462  12.380 -13.696
  611    HA   ARG  74           HA       ARG  74 -18.335  13.434 -10.976
  612    HB2  ARG  74           HB2      ARG  74 -20.644  14.032 -10.844
  613    HB3  ARG  74           HB3      ARG  74 -19.874  14.894 -12.183
  614    HG2  ARG  74           HG2      ARG  74 -20.875  13.299 -13.805
  615    HG3  ARG  74           HG3      ARG  74 -21.748  12.510 -12.482
  616    HD2  ARG  74           HD2      ARG  74 -21.950  15.473 -13.120
  617    HD3  ARG  74           HD3      ARG  74 -23.050  14.249 -13.799
  618    HE   ARG  74           HE       ARG  74 -23.037  13.896 -10.993
  619   HH11  ARG  74          HH21      ARG  74 -24.189  16.381 -13.280
  620   HH12  ARG  74          HH22      ARG  74 -25.468  16.888 -12.232
  621   HH21  ARG  74          HH11      ARG  74 -24.602  14.506  -9.708
  622   HH22  ARG  74          HH12      ARG  74 -25.737  15.792 -10.088
  623    H    GLY  75           H        GLY  75 -19.407  12.021  -9.463
  624    HA2  GLY  75           HA2      GLY  75 -20.491   9.437 -10.474
  625    HA3  GLY  75           HA3      GLY  75 -19.137   9.463  -9.324
  626    H    GLY  76           H        GLY  76 -21.786  11.841  -9.351
  627    HA2  GLY  76           HA2      GLY  76 -23.460  10.660  -7.371
  628    HA3  GLY  76           HA3      GLY  76 -22.434  11.955  -6.704
  629    H1   GLY  -3           H1       GLY  -3  -9.333  23.854 -17.152
  630    H2   GLY  -3           H2       GLY  -3  -9.997  24.572 -15.837
  631    H3   GLY  -3           H3       GLY  -3  -8.619  25.172 -16.490
  632    HA2  GLY  -3           HA2      GLY  -3 -10.464  26.585 -17.074
  633    HA3  GLY  -3           HA3      GLY  -3  -9.757  25.822 -18.508
  634    H    HIS  -2           H        HIS  -2 -10.839  23.855 -19.392
  635    HA   HIS  -2           HA       HIS  -2 -13.719  23.582 -18.688
  636    HB2  HIS  -2           HB2      HIS  -2 -12.565  23.916 -21.489
  637    HB3  HIS  -2           HB3      HIS  -2 -14.255  23.619 -21.093
  638    HD2  HIS  -2           HD2      HIS  -2 -15.439  25.691 -19.488
  639    HE1  HIS  -2           HE1      HIS  -2 -13.036  28.724 -21.290
  640    H    MET  -1           H        MET  -1 -14.630  21.624 -19.864
  641    HA   MET  -1           HA       MET  -1 -13.199  19.282 -19.145
  642    HB2  MET  -1           HB2      MET  -1 -15.658  19.764 -20.894
  643    HB3  MET  -1           HB3      MET  -1 -15.034  18.151 -20.524
  644    HG2  MET  -1           HG2      MET  -1 -16.790  18.599 -19.011
  645    HG3  MET  -1           HG3      MET  -1 -15.283  18.594 -18.101
  646    HE1  MET  -1           HE1      MET  -1 -16.457  19.618 -15.985
  647    HE2  MET  -1           HE2      MET  -1 -17.554  21.014 -16.047
  648    HE3  MET  -1           HE3      MET  -1 -17.992  19.499 -16.870
  649    H    PHE 679           H        PHE 679 -12.478  17.524 -20.521
  650    HA   PHE 679           HA       PHE 679 -10.821  16.826 -21.863
  651    HB2  PHE 679           HB2      PHE 679 -12.600  16.378 -23.252
  652    HB3  PHE 679           HB3      PHE 679 -12.683  18.015 -23.898
  653    HD1  PHE 679           HD1      PHE 679 -10.621  14.923 -23.765
  654    HD2  PHE 679           HD2      PHE 679 -11.425  18.573 -25.882
  655    HE1  PHE 679           HE1      PHE 679  -9.285  14.091 -25.700
  656    HE2  PHE 679           HE2      PHE 679 -10.059  17.767 -27.802
  657    HZ   PHE 679           HZ       PHE 679  -8.986  15.521 -27.714
  658    HA   PRO 680           HA       PRO 680  -8.421  20.799 -21.892
  659    HB2  PRO 680           HB2      PRO 680  -7.011  20.480 -19.597
  660    HB3  PRO 680           HB3      PRO 680  -8.693  21.060 -19.545
  661    HG2  PRO 680           HG2      PRO 680  -7.754  18.175 -19.271
  662    HG3  PRO 680           HG3      PRO 680  -8.749  19.104 -18.090
  663    HD2  PRO 680           HD2      PRO 680  -9.829  17.473 -19.941
  664    HD3  PRO 680           HD3      PRO 680 -10.591  19.043 -19.530
  665    H    SER 681           H        SER 681  -5.828  20.644 -21.544
  666    HA   SER 681           HA       SER 681  -4.656  18.813 -23.254
  667    HB2  SER 681           HB2      SER 681  -3.301  20.138 -20.880
  668    HB3  SER 681           HB3      SER 681  -2.567  19.671 -22.422
  669    HG   SER 681           HG       SER 681  -3.046  21.929 -22.351
  670    H    ASP 682           H        ASP 682  -5.727  18.126 -20.005
  671    HA   ASP 682           HA       ASP 682  -4.089  15.947 -19.249
  672    HB2  ASP 682           HB2      ASP 682  -5.934  17.094 -17.904
  673    HB3  ASP 682           HB3      ASP 682  -7.065  16.126 -18.883
  674    H    ILE 683           H        ILE 683  -5.919  16.098 -22.072
  675    HA   ILE 683           HA       ILE 683  -6.032  13.139 -22.214
  676    HB   ILE 683           HB       ILE 683  -8.097  14.825 -23.539
  677   HG12  ILE 683          HG12      ILE 683  -8.303  15.640 -21.144
  678   HG13  ILE 683          HG13      ILE 683  -9.695  14.786 -21.748
  679   HG21  ILE 683          HG21      ILE 683  -8.320  12.199 -22.194
  680   HG22  ILE 683          HG22      ILE 683  -9.409  12.937 -23.367
  681   HG23  ILE 683          HG23      ILE 683  -7.805  12.379 -23.894
  682   HD11  ILE 683          HD11      ILE 683  -9.389  12.935 -20.378
  683   HD12  ILE 683          HD12      ILE 683  -7.727  13.364 -19.942
  684   HD13  ILE 683          HD13      ILE 683  -9.093  14.343 -19.369
  685    H    ASP 684           H        ASP 684  -5.255  12.349 -24.120
  686    HA   ASP 684           HA       ASP 684  -4.516  14.160 -26.344
  687    HB2  ASP 684           HB2      ASP 684  -2.520  13.842 -24.976
  688    HB3  ASP 684           HB3      ASP 684  -2.715  12.095 -24.976
  689    HA   PRO 685           HA       PRO 685  -6.778  11.148 -28.719
  690    HB2  PRO 685           HB2      PRO 685  -4.487  11.595 -30.651
  691    HB3  PRO 685           HB3      PRO 685  -6.236  11.406 -31.006
  692    HG2  PRO 685           HG2      PRO 685  -5.174  13.891 -30.856
  693    HG3  PRO 685           HG3      PRO 685  -6.738  13.546 -30.043
  694    HD2  PRO 685           HD2      PRO 685  -3.986  13.756 -28.839
  695    HD3  PRO 685           HD3      PRO 685  -5.550  14.328 -28.201
  696    H    GLN 686           H        GLN 686  -3.166  10.537 -28.491
  697    HA   GLN 686           HA       GLN 686  -3.496   7.933 -29.656
  698    HB2  GLN 686           HB2      GLN 686  -1.372   9.168 -29.736
  699    HB3  GLN 686           HB3      GLN 686  -1.229   9.090 -27.980
  700    HG2  GLN 686           HG2      GLN 686   0.216   7.456 -29.035
  701    HG3  GLN 686           HG3      GLN 686  -1.001   6.653 -28.054
  702   HE21  GLN 686          HE22      GLN 686  -2.728   5.413 -29.161
  703   HE22  GLN 686          HE21      GLN 686  -2.502   4.918 -30.828
  704    H    VAL 687           H        VAL 687  -3.240   9.010 -26.202
  705    HA   VAL 687           HA       VAL 687  -3.393   6.292 -25.198
  706    HB   VAL 687           HB       VAL 687  -4.240   8.832 -23.766
  707   HG11  VAL 687          HG11      VAL 687  -3.562   7.420 -21.756
  708   HG12  VAL 687          HG12      VAL 687  -4.959   6.817 -22.647
  709   HG13  VAL 687          HG13      VAL 687  -3.409   6.049 -22.892
  710   HG21  VAL 687          HG21      VAL 687  -1.487   7.654 -24.207
  711   HG22  VAL 687          HG22      VAL 687  -2.027   9.338 -24.422
  712   HG23  VAL 687          HG23      VAL 687  -1.879   8.667 -22.791
  713    H    PHE 688           H        PHE 688  -5.712   8.915 -25.777
  714    HA   PHE 688           HA       PHE 688  -8.047   7.710 -24.839
  715    HB2  PHE 688           HB2      PHE 688  -7.605   9.947 -25.081
  716    HB3  PHE 688           HB3      PHE 688  -7.409   9.849 -26.835
  717    HD1  PHE 688           HD1      PHE 688 -10.135   9.092 -24.303
  718    HD2  PHE 688           HD2      PHE 688  -9.122  10.378 -28.293
  719    HE1  PHE 688           HE1      PHE 688 -12.544   9.463 -24.800
  720    HE2  PHE 688           HE2      PHE 688 -11.519  10.752 -28.773
  721    HZ   PHE 688           HZ       PHE 688 -13.230  10.305 -27.031
  722    H    TYR 689           H        TYR 689  -6.153   7.028 -27.767
  723    HA   TYR 689           HA       TYR 689  -8.282   5.425 -28.994
  724    HB2  TYR 689           HB2      TYR 689  -6.497   6.874 -30.193
  725    HB3  TYR 689           HB3      TYR 689  -5.368   5.580 -29.823
  726    HD1  TYR 689           HD1      TYR 689  -8.287   6.657 -31.766
  727    HD2  TYR 689           HD2      TYR 689  -5.628   3.351 -30.965
  728    HE1  TYR 689           HE1      TYR 689  -9.145   5.490 -33.774
  729    HE2  TYR 689           HE2      TYR 689  -6.483   2.168 -32.977
  730    HH   TYR 689           HH       TYR 689  -9.030   3.561 -35.108
  731    H    GLU 690           H        GLU 690  -5.395   4.979 -26.984
  732    HA   GLU 690           HA       GLU 690  -5.081   2.115 -27.029
  733    HB2  GLU 690           HB2      GLU 690  -3.838   4.267 -25.883
  734    HB3  GLU 690           HB3      GLU 690  -4.714   3.611 -24.490
  735    HG2  GLU 690           HG2      GLU 690  -3.612   1.448 -24.799
  736    HG3  GLU 690           HG3      GLU 690  -2.855   2.009 -26.295
  737    H    LEU 691           H        LEU 691  -7.295   4.312 -25.616
  738    HA   LEU 691           HA       LEU 691  -8.375   2.857 -23.498
  739    HB2  LEU 691           HB2      LEU 691  -8.340   5.428 -24.467
  740    HB3  LEU 691           HB3      LEU 691  -9.936   4.960 -25.010
  741    HG   LEU 691           HG       LEU 691 -10.610   4.637 -22.719
  742   HD11  LEU 691          HD11      LEU 691  -8.617   3.767 -21.593
  743   HD12  LEU 691          HD12      LEU 691  -7.665   5.159 -22.123
  744   HD13  LEU 691          HD13      LEU 691  -8.910   5.338 -20.870
  745   HD21  LEU 691          HD21      LEU 691 -10.719   6.857 -23.704
  746   HD22  LEU 691          HD22      LEU 691 -10.554   6.891 -21.967
  747   HD23  LEU 691          HD23      LEU 691  -9.132   7.236 -23.006
  748    HA   PRO 692           HA       PRO 692 -11.556   0.332 -25.533
  749    HB2  PRO 692           HB2      PRO 692 -13.547   0.252 -23.631
  750    HB3  PRO 692           HB3      PRO 692 -11.995  -0.616 -23.449
  751    HG2  PRO 692           HG2      PRO 692 -12.670   2.173 -22.409
  752    HG3  PRO 692           HG3      PRO 692 -12.059   0.770 -21.450
  753    HD2  PRO 692           HD2      PRO 692 -10.390   2.622 -22.349
  754    HD3  PRO 692           HD3      PRO 692  -9.916   0.932 -22.559
  755    H    GLU 693           H        GLU 693 -13.528   0.633 -26.713
  756    HA   GLU 693           HA       GLU 693 -13.972   3.337 -27.498
  757    HB2  GLU 693           HB2      GLU 693 -14.097   1.249 -28.924
  758    HB3  GLU 693           HB3      GLU 693 -15.612   0.850 -28.127
  759    HG2  GLU 693           HG2      GLU 693 -16.039   1.872 -30.291
  760    HG3  GLU 693           HG3      GLU 693 -16.643   2.902 -29.009
  761    H    ALA 694           H        ALA 694 -15.894   1.101 -25.460
  762    HA   ALA 694           HA       ALA 694 -18.212   2.764 -25.419
  763    HB1  ALA 694           HB1      ALA 694 -18.255   0.374 -24.908
  764    HB2  ALA 694           HB2      ALA 694 -17.301   0.648 -23.422
  765    HB3  ALA 694           HB3      ALA 694 -18.945   1.310 -23.574
  766    H    VAL 695           H        VAL 695 -15.417   2.535 -23.151
  767    HA   VAL 695           HA       VAL 695 -16.635   4.477 -21.366
  768    HB   VAL 695           HB       VAL 695 -13.671   3.894 -21.353
  769   HG11  VAL 695          HG11      VAL 695 -14.126   4.145 -18.848
  770   HG12  VAL 695          HG12      VAL 695 -14.433   5.619 -19.793
  771   HG13  VAL 695          HG13      VAL 695 -15.786   4.583 -19.251
  772   HG21  VAL 695          HG21      VAL 695 -14.079   1.995 -19.836
  773   HG22  VAL 695          HG22      VAL 695 -15.839   2.161 -20.066
  774   HG23  VAL 695          HG23      VAL 695 -14.795   1.644 -21.404
  775    H    GLN 696           H        GLN 696 -14.393   4.716 -24.185
  776    HA   GLN 696           HA       GLN 696 -13.945   7.525 -23.961
  777    HB2  GLN 696           HB2      GLN 696 -14.355   5.762 -26.430
  778    HB3  GLN 696           HB3      GLN 696 -13.926   7.459 -26.521
  779    HG2  GLN 696           HG2      GLN 696 -11.775   7.080 -25.585
  780    HG3  GLN 696           HG3      GLN 696 -12.163   5.452 -25.104
  781   HE21  GLN 696          HE22      GLN 696 -11.574   3.852 -26.645
  782   HE22  GLN 696          HE21      GLN 696 -11.329   4.144 -28.352
  783    H    LYS 697           H        LYS 697 -16.688   5.647 -25.358
  784    HA   LYS 697           HA       LYS 697 -18.219   7.742 -26.388
  785    HB2  LYS 697           HB2      LYS 697 -18.624   5.021 -26.033
  786    HB3  LYS 697           HB3      LYS 697 -19.760   5.672 -24.879
  787    HG2  LYS 697           HG2      LYS 697 -21.194   5.810 -26.583
  788    HG3  LYS 697           HG3      LYS 697 -20.313   7.250 -27.087
  789    HD2  LYS 697           HD2      LYS 697 -19.872   4.377 -28.032
  790    HD3  LYS 697           HD3      LYS 697 -20.622   5.689 -28.959
  791    HE2  LYS 697           HE2      LYS 697 -18.399   6.942 -28.811
  792    HE3  LYS 697           HE3      LYS 697 -17.703   5.485 -28.073
  793    HZ1  LYS 697           HZ1      LYS 697 -17.233   5.324 -30.351
  794    HZ2  LYS 697           HZ2      LYS 697 -18.503   4.308 -30.173
  795    HZ3  LYS 697           HZ3      LYS 697 -18.741   5.789 -30.831
  796    H    GLU 698           H        GLU 698 -18.171   6.534 -23.030
  797    HA   GLU 698           HA       GLU 698 -20.090   8.318 -21.930
  798    HB2  GLU 698           HB2      GLU 698 -18.400   6.438 -20.717
  799    HB3  GLU 698           HB3      GLU 698 -17.637   7.930 -20.195
  800    HG2  GLU 698           HG2      GLU 698 -19.132   7.804 -18.527
  801    HG3  GLU 698           HG3      GLU 698 -20.133   8.699 -19.650
  802    H    LEU 699           H        LEU 699 -16.589   8.582 -22.200
  803    HA   LEU 699           HA       LEU 699 -16.238  11.083 -20.957
  804    HB2  LEU 699           HB2      LEU 699 -14.697   9.255 -22.796
  805    HB3  LEU 699           HB3      LEU 699 -14.071  10.848 -22.555
  806    HG   LEU 699           HG       LEU 699 -13.540  10.497 -20.334
  807   HD11  LEU 699          HD11      LEU 699 -15.445   8.153 -20.102
  808   HD12  LEU 699          HD12      LEU 699 -14.359   8.764 -18.838
  809   HD13  LEU 699          HD13      LEU 699 -15.673   9.791 -19.379
  810   HD21  LEU 699          HD21      LEU 699 -12.385   8.303 -20.312
  811   HD22  LEU 699          HD22      LEU 699 -13.380   7.745 -21.651
  812   HD23  LEU 699          HD23      LEU 699 -12.236   9.090 -21.886
  813    H    LEU 700           H        LEU 700 -16.141  10.437 -24.508
  814    HA   LEU 700           HA       LEU 700 -15.848  13.170 -25.124
  815    HB2  LEU 700           HB2      LEU 700 -16.414  12.605 -27.429
  816    HB3  LEU 700           HB3      LEU 700 -15.228  11.535 -26.712
  817    HG   LEU 700           HG       LEU 700 -17.552  10.165 -26.191
  818   HD11  LEU 700          HD11      LEU 700 -18.921  11.759 -27.536
  819   HD12  LEU 700          HD12      LEU 700 -17.961  11.338 -28.963
  820   HD13  LEU 700          HD13      LEU 700 -18.960  10.105 -28.148
  821   HD21  LEU 700          HD21      LEU 700 -15.878   9.931 -28.730
  822   HD22  LEU 700          HD22      LEU 700 -15.459   9.256 -27.136
  823   HD23  LEU 700          HD23      LEU 700 -16.876   8.650 -27.995
  824    H    ALA 701           H        ALA 701 -18.853  11.222 -24.738
  825    HA   ALA 701           HA       ALA 701 -20.511  13.360 -25.723
  826    HB1  ALA 701           HB1      ALA 701 -22.359  11.976 -24.831
  827    HB2  ALA 701           HB2      ALA 701 -21.191  10.979 -25.719
  828    HB3  ALA 701           HB3      ALA 701 -21.196  10.968 -23.939
  829    H    GLU 702           H        GLU 702 -19.641  12.275 -22.381
  830    HA   GLU 702           HA       GLU 702 -21.127  14.358 -21.074
  831    HB2  GLU 702           HB2      GLU 702 -18.688  12.729 -20.233
  832    HB3  GLU 702           HB3      GLU 702 -19.549  13.835 -19.188
  833    HG2  GLU 702           HG2      GLU 702 -20.825  11.399 -20.408
  834    HG3  GLU 702           HG3      GLU 702 -20.136  11.531 -18.782
  835    H    TRP 703           H        TRP 703 -17.790  14.206 -22.364
  836    HA   TRP 703           HA       TRP 703 -16.898  16.456 -20.953
  837    HB2  TRP 703           HB2      TRP 703 -16.081  15.317 -23.665
  838    HB3  TRP 703           HB3      TRP 703 -15.210  16.634 -22.912
  839    HD1  TRP 703           HD1      TRP 703 -15.445  14.744 -19.958
  840    HE1  TRP 703           HE1      TRP 703 -13.734  12.881 -19.685
  841    HE3  TRP 703           HE3      TRP 703 -13.857  14.324 -24.795
  842    HZ2  TRP 703           HZ2      TRP 703 -11.515  11.739 -21.220
  843    HZ3  TRP 703           HZ3      TRP 703 -12.104  12.680 -25.383
  844    HH2  TRP 703           HH2      TRP 703 -10.951  11.393 -23.599
  845    H    LYS 704           H        LYS 704 -18.304  16.151 -24.278
  846    HA   LYS 704           HA       LYS 704 -18.362  19.030 -24.614
  847    HB2  LYS 704           HB2      LYS 704 -19.429  18.626 -26.739
  848    HB3  LYS 704           HB3      LYS 704 -18.071  17.537 -26.486
  849    HG2  LYS 704           HG2      LYS 704 -19.495  16.046 -27.359
  850    HG3  LYS 704           HG3      LYS 704 -19.925  15.860 -25.670
  851    HD2  LYS 704           HD2      LYS 704 -21.867  17.476 -26.071
  852    HD3  LYS 704           HD3      LYS 704 -21.432  17.410 -27.800
  853    HE2  LYS 704           HE2      LYS 704 -21.550  14.885 -27.649
  854    HE3  LYS 704           HE3      LYS 704 -22.144  15.056 -25.996
  855    HZ1  LYS 704           HZ1      LYS 704 -24.091  16.281 -26.929
  856    HZ2  LYS 704           HZ2      LYS 704 -23.518  16.081 -28.448
  857    HZ3  LYS 704           HZ3      LYS 704 -23.985  14.784 -27.582
  858    H    ARG 705           H        ARG 705 -20.727  16.696 -23.305
  859    HA   ARG 705           HA       ARG 705 -22.968  18.511 -23.400
  860    HB2  ARG 705           HB2      ARG 705 -22.282  16.071 -21.712
  861    HB3  ARG 705           HB3      ARG 705 -23.666  17.079 -21.294
  862    HG2  ARG 705           HG2      ARG 705 -24.615  16.748 -23.565
  863    HG3  ARG 705           HG3      ARG 705 -23.273  15.681 -23.957
  864    HD2  ARG 705           HD2      ARG 705 -25.051  14.234 -23.300
  865    HD3  ARG 705           HD3      ARG 705 -23.956  14.266 -21.921
  866    HE   ARG 705           HE       ARG 705 -26.483  15.864 -22.200
  867   HH11  ARG 705          HH11      ARG 705 -24.336  13.958 -19.998
  868   HH12  ARG 705          HH12      ARG 705 -25.317  14.285 -18.628
  869   HH21  ARG 705          HH21      ARG 705 -27.737  16.234 -20.350
  870   HH22  ARG 705          HH22      ARG 705 -27.292  15.573 -18.826
  871    H    THR 706           H        THR 706 -20.617  17.771 -20.786
  872    HA   THR 706           HA       THR 706 -21.901  19.713 -19.064
  873    HB   THR 706           HB       THR 706 -20.158  19.047 -17.437
  874    HG1  THR 706           HG1      THR 706 -19.270  17.240 -19.462
  875   HG21  THR 706          HG21      THR 706 -21.434  16.635 -18.812
  876   HG22  THR 706          HG22      THR 706 -20.816  16.717 -17.146
  877   HG23  THR 706          HG23      THR 706 -22.224  17.686 -17.612
  878    H    GLY 707           H        GLY 707 -19.140  19.680 -21.217
  879    HA2  GLY 707           HA2      GLY 707 -17.554  21.778 -20.552
  880    HA3  GLY 707           HA3      GLY 707 -18.035  21.343 -22.200
  Start of MODEL    6
    1    H1   MET   1           H1       MET   1   4.950  -1.099  -2.607
    2    H2   MET   1           H2       MET   1   3.403  -1.490  -2.913
    3    H3   MET   1           H3       MET   1   4.504  -2.678  -2.594
    4    HA   MET   1           HA       MET   1   5.762  -2.093  -4.589
    5    HB2  MET   1           HB2      MET   1   4.395  -3.085  -6.237
    6    HB3  MET   1           HB3      MET   1   4.116  -3.957  -4.737
    7    HG2  MET   1           HG2      MET   1   1.902  -2.661  -4.598
    8    HG3  MET   1           HG3      MET   1   2.274  -2.026  -6.211
    9    HE1  MET   1           HE1      MET   1   0.411  -3.143  -7.874
   10    HE2  MET   1           HE2      MET   1  -0.367  -4.669  -7.392
   11    HE3  MET   1           HE3      MET   1  -0.420  -3.281  -6.295
   12    H    GLN   2           H        GLN   2   5.175  -1.206  -7.044
   13    HA   GLN   2           HA       GLN   2   3.703   1.365  -6.744
   14    HB2  GLN   2           HB2      GLN   2   5.383   2.592  -7.806
   15    HB3  GLN   2           HB3      GLN   2   6.232   1.566  -6.639
   16    HG2  GLN   2           HG2      GLN   2   6.809  -0.007  -8.507
   17    HG3  GLN   2           HG3      GLN   2   6.090   1.124  -9.655
   18   HE21  GLN   2          HE22      GLN   2   8.789   0.405  -9.974
   19   HE22  GLN   2          HE21      GLN   2   9.794   1.769  -9.569
   20    H    ILE   3           H        ILE   3   2.797   2.206  -8.720
   21    HA   ILE   3           HA       ILE   3   2.728   0.350 -11.105
   22    HB   ILE   3           HB       ILE   3   0.264   0.688 -11.251
   23   HG12  ILE   3          HG12      ILE   3   0.280   1.425  -8.295
   24   HG13  ILE   3          HG13      ILE   3   0.388   2.652  -9.521
   25   HG21  ILE   3          HG21      ILE   3  -0.300  -1.176  -9.769
   26   HG22  ILE   3          HG22      ILE   3   1.313  -1.444 -10.445
   27   HG23  ILE   3          HG23      ILE   3   1.143  -0.910  -8.770
   28   HD11  ILE   3          HD11      ILE   3  -1.661   1.951 -10.573
   29   HD12  ILE   3          HD12      ILE   3  -1.889   0.684  -9.325
   30   HD13  ILE   3          HD13      ILE   3  -1.888   2.414  -8.872
   31    H    PHE   4           H        PHE   4   1.842   1.376 -12.969
   32    HA   PHE   4           HA       PHE   4   2.730   4.222 -13.035
   33    HB2  PHE   4           HB2      PHE   4   2.761   2.336 -15.383
   34    HB3  PHE   4           HB3      PHE   4   3.665   3.814 -15.074
   35    HD1  PHE   4           HD2      PHE   4   5.055   3.604 -12.720
   36    HD2  PHE   4           HD1      PHE   4   4.114   0.387 -15.404
   37    HE1  PHE   4           HE2      PHE   4   6.933   2.274 -11.788
   38    HE2  PHE   4           HE1      PHE   4   6.136  -0.838 -14.609
   39    HZ   PHE   4           HZ       PHE   4   7.561   0.119 -12.836
   40    H    VAL   5           H        VAL   5   0.791   5.353 -12.925
   41    HA   VAL   5           HA       VAL   5  -1.492   4.368 -14.582
   42    HB   VAL   5           HB       VAL   5  -1.401   6.675 -12.621
   43   HG11  VAL   5          HG11      VAL   5  -3.864   6.533 -12.763
   44   HG12  VAL   5          HG12      VAL   5  -3.138   6.944 -14.339
   45   HG13  VAL   5          HG13      VAL   5  -3.740   5.300 -14.044
   46   HG21  VAL   5          HG21      VAL   5  -2.593   5.176 -11.124
   47   HG22  VAL   5          HG22      VAL   5  -2.525   3.863 -12.286
   48   HG23  VAL   5          HG23      VAL   5  -1.037   4.429 -11.568
   49    H    LYS   6           H        LYS   6  -1.174   4.781 -16.716
   50    HA   LYS   6           HA       LYS   6   0.130   7.223 -17.664
   51    HB2  LYS   6           HB2      LYS   6  -0.063   4.935 -18.880
   52    HB3  LYS   6           HB3      LYS   6  -1.717   5.440 -19.273
   53    HG2  LYS   6           HG2      LYS   6  -0.605   7.659 -20.144
   54    HG3  LYS   6           HG3      LYS   6   0.923   6.779 -19.982
   55    HD2  LYS   6           HD2      LYS   6  -0.331   4.932 -21.382
   56    HD3  LYS   6           HD3      LYS   6  -1.420   6.278 -21.857
   57    HE2  LYS   6           HE2      LYS   6   0.364   7.507 -22.867
   58    HE3  LYS   6           HE3      LYS   6   1.613   6.518 -22.109
   59    HZ1  LYS   6           HZ1      LYS   6   1.233   4.772 -23.582
   60    HZ2  LYS   6           HZ2      LYS   6  -0.272   5.233 -24.010
   61    HZ3  LYS   6           HZ3      LYS   6   1.039   6.068 -24.571
   62    H    THR   7           H        THR   7  -0.912   9.228 -17.679
   63    HA   THR   7           HA       THR   7  -3.811   9.201 -17.412
   64    HB   THR   7           HB       THR   7  -3.666  11.544 -17.471
   65    HG1  THR   7           HG1      THR   7  -1.437  12.443 -17.554
   66   HG21  THR   7          HG21      THR   7  -2.435  11.972 -15.412
   67   HG22  THR   7          HG22      THR   7  -3.337  10.455 -15.336
   68   HG23  THR   7          HG23      THR   7  -1.570  10.415 -15.600
   69    H    LEU   8           H        LEU   8  -5.148  10.423 -18.817
   70    HA   LEU   8           HA       LEU   8  -4.810   9.415 -21.473
   71    HB2  LEU   8           HB2      LEU   8  -6.687  11.568 -20.553
   72    HB3  LEU   8           HB3      LEU   8  -6.569  10.917 -22.199
   73    HG   LEU   8           HG       LEU   8  -7.659   9.595 -19.766
   74   HD11  LEU   8          HD11      LEU   8  -9.496   8.990 -21.294
   75   HD12  LEU   8          HD12      LEU   8  -9.271  10.712 -21.072
   76   HD13  LEU   8          HD13      LEU   8  -8.686   9.936 -22.574
   77   HD21  LEU   8          HD21      LEU   8  -6.688   8.181 -22.290
   78   HD22  LEU   8          HD22      LEU   8  -6.139   7.871 -20.597
   79   HD23  LEU   8          HD23      LEU   8  -7.755   7.432 -21.094
   80    H    THR   9           H        THR   9  -3.258  12.234 -20.059
   81    HA   THR   9           HA       THR   9  -3.041  13.586 -22.608
   82    HB   THR   9           HB       THR   9  -3.017  14.903 -20.662
   83    HG1  THR   9           HG1      THR   9  -1.948  16.102 -21.867
   84   HG21  THR   9          HG21      THR   9  -0.628  13.365 -19.712
   85   HG22  THR   9          HG22      THR   9  -0.932  15.035 -19.191
   86   HG23  THR   9          HG23      THR   9  -2.153  13.811 -18.872
   87    H    GLY  10           H        GLY  10  -1.606  10.794 -21.250
   88    HA2  GLY  10           HA2      GLY  10   0.143   9.504 -22.110
   89    HA3  GLY  10           HA3      GLY  10   0.658  10.865 -23.130
   90    H    LYS  11           H        LYS  11  -0.019  10.926 -19.538
   91    HA   LYS  11           HA       LYS  11   2.965  11.177 -19.138
   92    HB2  LYS  11           HB2      LYS  11   2.013  13.335 -18.715
   93    HB3  LYS  11           HB3      LYS  11   0.720  12.659 -17.729
   94    HG2  LYS  11           HG2      LYS  11   3.579  12.085 -16.949
   95    HG3  LYS  11           HG3      LYS  11   2.971  13.719 -16.689
   96    HD2  LYS  11           HD2      LYS  11   1.899  11.157 -15.456
   97    HD3  LYS  11           HD3      LYS  11   2.841  12.389 -14.646
   98    HE2  LYS  11           HE2      LYS  11   0.027  12.775 -15.798
   99    HE3  LYS  11           HE3      LYS  11   0.402  12.377 -14.136
  100    HZ1  LYS  11           HZ1      LYS  11   1.595  14.483 -13.924
  101    HZ2  LYS  11           HZ2      LYS  11   1.155  14.928 -15.462
  102    HZ3  LYS  11           HZ3      LYS  11   0.015  14.665 -14.292
  103    H    THR  12           H        THR  12   3.671   9.377 -18.092
  104    HA   THR  12           HA       THR  12   1.648   7.835 -16.594
  105    HB   THR  12           HB       THR  12   4.476   6.937 -16.828
  106    HG1  THR  12           HG1      THR  12   4.279   6.408 -18.985
  107   HG21  THR  12          HG21      THR  12   2.443   5.686 -15.849
  108   HG22  THR  12          HG22      THR  12   1.841   5.547 -17.537
  109   HG23  THR  12          HG23      THR  12   3.372   4.787 -17.093
  110    H    ILE  13           H        ILE  13   1.239   8.201 -14.623
  111    HA   ILE  13           HA       ILE  13   3.339   9.400 -12.906
  112    HB   ILE  13           HB       ILE  13   1.717  10.786 -12.617
  113   HG12  ILE  13          HG12      ILE  13   1.946   9.171 -10.400
  114   HG13  ILE  13          HG13      ILE  13   1.173  10.726 -10.465
  115   HG21  ILE  13          HG21      ILE  13   0.009  10.082 -14.097
  116   HG22  ILE  13          HG22      ILE  13  -0.511   8.798 -12.980
  117   HG23  ILE  13          HG23      ILE  13  -0.702  10.523 -12.521
  118   HD11  ILE  13          HD11      ILE  13  -0.039   8.830  -9.280
  119   HD12  ILE  13          HD12      ILE  13  -0.993   9.855 -10.369
  120   HD13  ILE  13          HD13      ILE  13  -0.415   8.211 -10.878
  121    H    THR  14           H        THR  14   4.499   7.966 -11.880
  122    HA   THR  14           HA       THR  14   3.498   5.312 -11.352
  123    HB   THR  14           HB       THR  14   5.962   6.705 -10.360
  124    HG1  THR  14           HG1      THR  14   6.996   6.017 -12.195
  125   HG21  THR  14          HG21      THR  14   6.870   4.232 -10.416
  126   HG22  THR  14          HG22      THR  14   5.711   4.626  -9.134
  127   HG23  THR  14          HG23      THR  14   5.177   3.722 -10.554
  128    H    LEU  15           H        LEU  15   2.819   4.596  -9.249
  129    HA   LEU  15           HA       LEU  15   3.151   6.466  -7.007
  130    HB2  LEU  15           HB2      LEU  15   0.864   6.400  -6.332
  131    HB3  LEU  15           HB3      LEU  15   0.949   7.073  -7.973
  132    HG   LEU  15           HG       LEU  15   0.322   4.147  -7.822
  133   HD11  LEU  15          HD11      LEU  15  -1.000   5.127  -5.932
  134   HD12  LEU  15          HD12      LEU  15  -1.706   6.288  -7.100
  135   HD13  LEU  15          HD13      LEU  15  -2.000   4.541  -7.261
  136   HD21  LEU  15          HD21      LEU  15  -0.828   6.451  -9.371
  137   HD22  LEU  15          HD22      LEU  15   0.403   5.302  -9.948
  138   HD23  LEU  15          HD23      LEU  15  -1.228   4.724  -9.484
  139    H    GLU  16           H        GLU  16   2.689   5.444  -4.931
  140    HA   GLU  16           HA       GLU  16   3.398   2.598  -5.147
  141    HB2  GLU  16           HB2      GLU  16   3.961   4.696  -3.038
  142    HB3  GLU  16           HB3      GLU  16   4.052   2.963  -2.662
  143    HG2  GLU  16           HG2      GLU  16   5.608   2.590  -4.512
  144    HG3  GLU  16           HG3      GLU  16   5.577   4.301  -4.940
  145    H    VAL  17           H        VAL  17   2.221   1.120  -4.361
  146    HA   VAL  17           HA       VAL  17  -0.369   1.579  -2.983
  147    HB   VAL  17           HB       VAL  17  -1.567   0.397  -4.794
  148   HG11  VAL  17          HG11      VAL  17  -1.601   2.083  -6.513
  149   HG12  VAL  17          HG12      VAL  17  -1.436   2.866  -4.933
  150   HG13  VAL  17          HG13      VAL  17  -0.025   2.715  -6.010
  151   HG21  VAL  17          HG21      VAL  17  -0.477  -0.076  -6.967
  152   HG22  VAL  17          HG22      VAL  17   1.090   0.419  -6.314
  153   HG23  VAL  17          HG23      VAL  17   0.235  -1.012  -5.678
  154    H    GLU  18           H        GLU  18  -1.407  -0.911  -3.276
  155    HA   GLU  18           HA       GLU  18   0.641  -2.962  -2.764
  156    HB2  GLU  18           HB2      GLU  18  -1.867  -2.619  -1.064
  157    HB3  GLU  18           HB3      GLU  18  -0.697  -3.922  -0.928
  158    HG2  GLU  18           HG2      GLU  18  -0.296  -0.987  -0.267
  159    HG3  GLU  18           HG3      GLU  18  -0.414  -2.329   0.868
  160    HA   PRO  19           HA       PRO  19  -2.124  -4.976  -5.659
  161    HB2  PRO  19           HB2      PRO  19  -2.081  -7.441  -3.977
  162    HB3  PRO  19           HB3      PRO  19  -1.706  -7.225  -5.731
  163    HG2  PRO  19           HG2      PRO  19   0.234  -7.610  -3.824
  164    HG3  PRO  19           HG3      PRO  19   0.472  -6.615  -5.288
  165    HD2  PRO  19           HD2      PRO  19  -0.042  -5.732  -2.456
  166    HD3  PRO  19           HD3      PRO  19   0.940  -4.951  -3.726
  167    H    SER  20           H        SER  20  -2.858  -5.053  -2.179
  168    HA   SER  20           HA       SER  20  -5.738  -5.594  -2.697
  169    HB2  SER  20           HB2      SER  20  -4.220  -5.502  -0.060
  170    HB3  SER  20           HB3      SER  20  -5.867  -6.105  -0.324
  171    HG   SER  20           HG       SER  20  -4.289  -7.804  -0.190
  172    H    ASP  21           H        ASP  21  -3.933  -2.995  -3.054
  173    HA   ASP  21           HA       ASP  21  -5.390  -1.250  -1.297
  174    HB2  ASP  21           HB2      ASP  21  -3.076  -0.747  -2.208
  175    HB3  ASP  21           HB3      ASP  21  -3.849  -0.456  -3.786
  176    H    THR  22           H        THR  22  -7.223  -0.124  -1.872
  177    HA   THR  22           HA       THR  22  -8.767  -1.276  -4.012
  178    HB   THR  22           HB       THR  22 -10.516   0.434  -3.250
  179    HG1  THR  22           HG1      THR  22 -10.107   1.172  -1.049
  180   HG21  THR  22          HG21      THR  22 -10.654  -1.896  -2.757
  181   HG22  THR  22          HG22      THR  22  -9.546  -1.725  -1.357
  182   HG23  THR  22          HG23      THR  22 -11.158  -0.958  -1.339
  183    H    ILE  23           H        ILE  23  -9.592  -0.310  -5.749
  184    HA   ILE  23           HA       ILE  23  -8.278   1.698  -7.181
  185    HB   ILE  23           HB       ILE  23 -11.210   1.028  -7.162
  186   HG12  ILE  23          HG12      ILE  23 -10.409  -1.008  -7.735
  187   HG13  ILE  23          HG13      ILE  23 -10.395  -0.236  -9.331
  188   HG21  ILE  23          HG21      ILE  23 -11.300   1.834  -9.491
  189   HG22  ILE  23          HG22      ILE  23 -10.820   3.125  -8.396
  190   HG23  ILE  23          HG23      ILE  23  -9.588   2.307  -9.382
  191   HD11  ILE  23          HD11      ILE  23  -8.001  -0.746  -7.546
  192   HD12  ILE  23          HD12      ILE  23  -8.414  -1.543  -9.055
  193   HD13  ILE  23          HD13      ILE  23  -7.950   0.180  -9.068
  194    H    GLU  24           H        GLU  24 -11.001   2.234  -4.789
  195    HA   GLU  24           HA       GLU  24 -11.258   4.986  -5.293
  196    HB2  GLU  24           HB2      GLU  24 -12.689   3.514  -3.774
  197    HB3  GLU  24           HB3      GLU  24 -11.441   3.655  -2.546
  198    HG2  GLU  24           HG2      GLU  24 -11.725   6.131  -2.547
  199    HG3  GLU  24           HG3      GLU  24 -12.937   5.999  -3.818
  200    H    ASN  25           H        ASN  25  -8.962   3.307  -3.135
  201    HA   ASN  25           HA       ASN  25  -7.884   5.812  -2.099
  202    HB2  ASN  25           HB2      ASN  25  -7.935   3.654  -0.808
  203    HB3  ASN  25           HB3      ASN  25  -6.767   2.991  -1.951
  204   HD21  ASN  25          HD22      ASN  25  -5.015   2.755  -0.615
  205   HD22  ASN  25          HD21      ASN  25  -4.280   4.047   0.347
  206    H    VAL  26           H        VAL  26  -7.022   3.529  -4.698
  207    HA   VAL  26           HA       VAL  26  -4.519   4.705  -5.423
  208    HB   VAL  26           HB       VAL  26  -6.681   3.114  -6.809
  209   HG11  VAL  26          HG11      VAL  26  -5.663   4.399  -8.566
  210   HG12  VAL  26          HG12      VAL  26  -4.030   3.936  -8.037
  211   HG13  VAL  26          HG13      VAL  26  -5.140   2.701  -8.692
  212   HG21  VAL  26          HG21      VAL  26  -3.861   2.258  -6.113
  213   HG22  VAL  26          HG22      VAL  26  -5.227   2.014  -5.033
  214   HG23  VAL  26          HG23      VAL  26  -5.237   1.234  -6.600
  215    H    LYS  27           H        LYS  27  -7.897   5.326  -6.710
  216    HA   LYS  27           HA       LYS  27  -7.157   7.532  -8.299
  217    HB2  LYS  27           HB2      LYS  27  -9.731   7.096  -6.675
  218    HB3  LYS  27           HB3      LYS  27  -9.541   8.371  -7.874
  219    HG2  LYS  27           HG2      LYS  27  -9.302   6.595  -9.647
  220    HG3  LYS  27           HG3      LYS  27  -9.717   5.394  -8.410
  221    HD2  LYS  27           HD2      LYS  27 -11.748   6.962  -7.892
  222    HD3  LYS  27           HD3      LYS  27 -11.377   7.723  -9.446
  223    HE2  LYS  27           HE2      LYS  27 -11.807   5.629 -10.621
  224    HE3  LYS  27           HE3      LYS  27 -12.093   4.811  -9.064
  225    HZ1  LYS  27           HZ1      LYS  27 -14.019   6.126  -8.671
  226    HZ2  LYS  27           HZ2      LYS  27 -13.711   7.169  -9.930
  227    HZ3  LYS  27           HZ3      LYS  27 -14.180   5.601 -10.196
  228    H    ALA  28           H        ALA  28  -7.752   7.463  -4.731
  229    HA   ALA  28           HA       ALA  28  -7.689  10.314  -4.436
  230    HB1  ALA  28           HB1      ALA  28  -8.536   8.781  -2.689
  231    HB2  ALA  28           HB2      ALA  28  -6.873   8.194  -2.401
  232    HB3  ALA  28           HB3      ALA  28  -7.292   9.892  -2.081
  233    H    LYS  29           H        LYS  29  -5.073   7.846  -4.579
  234    HA   LYS  29           HA       LYS  29  -2.948   9.758  -4.010
  235    HB2  LYS  29           HB2      LYS  29  -2.972   7.074  -5.422
  236    HB3  LYS  29           HB3      LYS  29  -1.496   8.017  -5.105
  237    HG2  LYS  29           HG2      LYS  29  -1.847   7.912  -2.722
  238    HG3  LYS  29           HG3      LYS  29  -3.466   7.217  -2.923
  239    HD2  LYS  29           HD2      LYS  29  -2.549   5.183  -3.896
  240    HD3  LYS  29           HD3      LYS  29  -0.901   5.836  -3.807
  241    HE2  LYS  29           HE2      LYS  29  -2.460   5.904  -1.261
  242    HE3  LYS  29           HE3      LYS  29  -2.121   4.275  -1.871
  243    HZ1  LYS  29           HZ1      LYS  29  -0.043   6.339  -1.299
  244    HZ2  LYS  29           HZ2      LYS  29  -0.349   5.004  -0.409
  245    HZ3  LYS  29           HZ3      LYS  29   0.245   4.841  -1.928
  246    H    ILE  30           H        ILE  30  -4.718   8.753  -6.958
  247    HA   ILE  30           HA       ILE  30  -3.062  10.334  -8.732
  248    HB   ILE  30           HB       ILE  30  -5.995   9.781  -9.150
  249   HG12  ILE  30          HG12      ILE  30  -5.238   7.609  -8.858
  250   HG13  ILE  30          HG13      ILE  30  -5.229   7.824 -10.586
  251   HG21  ILE  30          HG21      ILE  30  -3.673  10.354 -11.032
  252   HG22  ILE  30          HG22      ILE  30  -5.300   9.893 -11.565
  253   HG23  ILE  30          HG23      ILE  30  -5.075  11.410 -10.698
  254   HD11  ILE  30          HD11      ILE  30  -2.775   8.061  -8.796
  255   HD12  ILE  30          HD12      ILE  30  -3.372   6.588  -9.569
  256   HD13  ILE  30          HD13      ILE  30  -2.814   7.984 -10.578
  257    H    GLN  31           H        GLN  31  -5.953  11.198  -6.829
  258    HA   GLN  31           HA       GLN  31  -6.135  13.892  -7.621
  259    HB2  GLN  31           HB2      GLN  31  -7.765  12.657  -6.144
  260    HB3  GLN  31           HB3      GLN  31  -6.614  12.871  -4.822
  261    HG2  GLN  31           HG2      GLN  31  -6.894  15.482  -5.697
  262    HG3  GLN  31           HG3      GLN  31  -8.496  14.842  -6.000
  263   HE21  GLN  31          HE22      GLN  31  -9.798  14.124  -4.132
  264   HE22  GLN  31          HE21      GLN  31  -9.296  14.505  -2.508
  265    H    ASP  32           H        ASP  32  -3.982  12.326  -5.234
  266    HA   ASP  32           HA       ASP  32  -2.761  14.735  -4.280
  267    HB2  ASP  32           HB2      ASP  32  -2.418  12.831  -2.964
  268    HB3  ASP  32           HB3      ASP  32  -1.902  11.845  -4.310
  269    H    LYS  33           H        LYS  33  -2.141  12.693  -7.205
  270    HA   LYS  33           HA       LYS  33   0.306  14.185  -7.780
  271    HB2  LYS  33           HB2      LYS  33  -1.176  11.928  -9.133
  272    HB3  LYS  33           HB3      LYS  33   0.402  12.544  -9.624
  273    HG2  LYS  33           HG2      LYS  33  -0.019  11.673  -6.726
  274    HG3  LYS  33           HG3      LYS  33   0.143  10.465  -7.947
  275    HD2  LYS  33           HD2      LYS  33   2.322  11.501  -8.703
  276    HD3  LYS  33           HD3      LYS  33   2.212  12.644  -7.357
  277    HE2  LYS  33           HE2      LYS  33   1.932   9.648  -6.944
  278    HE3  LYS  33           HE3      LYS  33   3.533  10.348  -7.146
  279    HZ1  LYS  33           HZ1      LYS  33   2.818  10.206  -4.759
  280    HZ2  LYS  33           HZ2      LYS  33   3.255  11.702  -5.221
  281    HZ3  LYS  33           HZ3      LYS  33   1.677  11.368  -5.027
  282    H    GLU  34           H        GLU  34  -2.911  13.917  -9.065
  283    HA   GLU  34           HA       GLU  34  -2.320  15.621 -11.395
  284    HB2  GLU  34           HB2      GLU  34  -4.499  13.565 -10.786
  285    HB3  GLU  34           HB3      GLU  34  -4.344  14.454 -12.312
  286    HG2  GLU  34           HG2      GLU  34  -2.539  12.338 -11.144
  287    HG3  GLU  34           HG3      GLU  34  -3.376  12.324 -12.695
  288    H    GLY  35           H        GLY  35  -4.490  15.319  -8.609
  289    HA2  GLY  35           HA2      GLY  35  -5.382  17.171  -7.508
  290    HA3  GLY  35           HA3      GLY  35  -5.351  18.115  -9.000
  291    H    ILE  36           H        ILE  36  -6.652  14.894  -9.355
  292    HA   ILE  36           HA       ILE  36  -9.284  16.160  -9.849
  293    HB   ILE  36           HB       ILE  36  -8.066  13.547 -10.774
  294   HG12  ILE  36          HG12      ILE  36  -8.459  16.157 -12.343
  295   HG13  ILE  36          HG13      ILE  36  -6.914  15.662 -11.660
  296   HG21  ILE  36          HG21      ILE  36  -9.954  13.418 -12.322
  297   HG22  ILE  36          HG22      ILE  36 -10.634  13.663 -10.712
  298   HG23  ILE  36          HG23      ILE  36 -10.518  15.032 -11.823
  299   HD11  ILE  36          HD11      ILE  36  -6.990  13.565 -12.924
  300   HD12  ILE  36          HD12      ILE  36  -8.459  14.164 -13.761
  301   HD13  ILE  36          HD13      ILE  36  -6.922  15.030 -13.942
  302    HA   PRO  37           HA       PRO  37 -10.577  13.806  -6.215
  303    HB2  PRO  37           HB2      PRO  37 -13.352  14.251  -6.485
  304    HB3  PRO  37           HB3      PRO  37 -12.168  15.282  -5.614
  305    HG2  PRO  37           HG2      PRO  37 -13.490  15.752  -8.218
  306    HG3  PRO  37           HG3      PRO  37 -12.682  16.911  -7.118
  307    HD2  PRO  37           HD2      PRO  37 -11.611  15.785  -9.545
  308    HD3  PRO  37           HD3      PRO  37 -10.767  16.810  -8.350
  309    HA   PRO  38           HA       PRO  38 -11.411   9.911  -7.958
  310    HB2  PRO  38           HB2      PRO  38 -12.776   8.560  -6.000
  311    HB3  PRO  38           HB3      PRO  38 -11.000   8.873  -5.987
  312    HG2  PRO  38           HG2      PRO  38 -13.184  10.382  -4.539
  313    HG3  PRO  38           HG3      PRO  38 -11.576   9.878  -3.920
  314    HD2  PRO  38           HD2      PRO  38 -12.023  12.408  -4.797
  315    HD3  PRO  38           HD3      PRO  38 -10.473  11.570  -5.140
  316    H    ASP  39           H        ASP  39 -14.296  11.461  -6.581
  317    HA   ASP  39           HA       ASP  39 -16.094   9.661  -7.869
  318    HB2  ASP  39           HB2      ASP  39 -16.769  11.134  -6.002
  319    HB3  ASP  39           HB3      ASP  39 -16.443  12.566  -6.976
  320    H    GLN  40           H        GLN  40 -14.246  12.339  -8.978
  321    HA   GLN  40           HA       GLN  40 -15.828  12.734 -11.473
  322    HB2  GLN  40           HB2      GLN  40 -15.334  14.701 -10.276
  323    HB3  GLN  40           HB3      GLN  40 -13.667  14.228  -9.957
  324    HG2  GLN  40           HG2      GLN  40 -12.944  14.708 -12.126
  325    HG3  GLN  40           HG3      GLN  40 -14.582  14.820 -12.767
  326   HE21  GLN  40          HE22      GLN  40 -15.975  16.675 -11.864
  327   HE22  GLN  40          HE21      GLN  40 -15.150  18.174 -11.465
  328    H    GLN  41           H        GLN  41 -13.348  10.656 -10.464
  329    HA   GLN  41           HA       GLN  41 -11.730  10.887 -12.950
  330    HB2  GLN  41           HB2      GLN  41 -10.923  11.449 -10.592
  331    HB3  GLN  41           HB3      GLN  41 -11.217   9.783 -10.143
  332    HG2  GLN  41           HG2      GLN  41  -9.553   9.240 -12.084
  333    HG3  GLN  41           HG3      GLN  41  -9.172  10.980 -11.973
  334   HE21  GLN  41          HE22      GLN  41  -8.962  11.572  -9.236
  335   HE22  GLN  41          HE21      GLN  41  -7.933  10.411  -8.452
  336    H    ARG  42           H        ARG  42 -11.507   8.915 -14.205
  337    HA   ARG  42           HA       ARG  42 -12.729   6.484 -12.937
  338    HB2  ARG  42           HB2      ARG  42 -13.381   7.629 -15.457
  339    HB3  ARG  42           HB3      ARG  42 -12.444   6.126 -15.785
  340    HG2  ARG  42           HG2      ARG  42 -13.905   4.735 -14.885
  341    HG3  ARG  42           HG3      ARG  42 -14.639   5.961 -13.803
  342    HD2  ARG  42           HD2      ARG  42 -15.718   6.991 -15.864
  343    HD3  ARG  42           HD3      ARG  42 -15.059   5.650 -16.815
  344    HE   ARG  42           HE       ARG  42 -16.443   4.484 -14.642
  345   HH11  ARG  42          HH11      ARG  42 -17.325   6.390 -17.522
  346   HH12  ARG  42          HH12      ARG  42 -18.915   5.680 -17.642
  347   HH21  ARG  42          HH21      ARG  42 -18.582   3.659 -14.772
  348   HH22  ARG  42          HH22      ARG  42 -19.649   4.212 -16.022
  349    H    LEU  43           H        LEU  43 -11.683   4.464 -13.481
  350    HA   LEU  43           HA       LEU  43  -8.816   4.766 -14.213
  351    HB2  LEU  43           HB2      LEU  43  -9.809   4.161 -11.601
  352    HB3  LEU  43           HB3      LEU  43  -9.407   2.595 -12.292
  353    HG   LEU  43           HG       LEU  43  -7.126   3.351 -12.773
  354   HD11  LEU  43          HD11      LEU  43  -7.352   5.777 -13.131
  355   HD12  LEU  43          HD12      LEU  43  -8.068   6.009 -11.536
  356   HD13  LEU  43          HD13      LEU  43  -6.357   5.565 -11.693
  357   HD21  LEU  43          HD21      LEU  43  -6.376   3.509 -10.451
  358   HD22  LEU  43          HD22      LEU  43  -7.992   3.972  -9.888
  359   HD23  LEU  43          HD23      LEU  43  -7.693   2.337 -10.556
  360    H    ILE  44           H        ILE  44  -8.333   3.562 -15.790
  361    HA   ILE  44           HA       ILE  44  -9.939   1.118 -16.449
  362    HB   ILE  44           HB       ILE  44  -8.660   3.189 -18.314
  363   HG12  ILE  44          HG12      ILE  44 -11.562   2.234 -18.005
  364   HG13  ILE  44          HG13      ILE  44 -10.927   3.647 -17.171
  365   HG21  ILE  44          HG21      ILE  44 -10.030   0.617 -19.207
  366   HG22  ILE  44          HG22      ILE  44  -9.451   1.951 -20.229
  367   HG23  ILE  44          HG23      ILE  44  -8.279   0.993 -19.371
  368   HD11  ILE  44          HD11      ILE  44 -11.988   4.583 -18.885
  369   HD12  ILE  44          HD12      ILE  44 -10.321   4.569 -19.469
  370   HD13  ILE  44          HD13      ILE  44 -11.474   3.354 -20.089
  371    H    PHE  45           H        PHE  45  -8.743  -0.655 -17.273
  372    HA   PHE  45           HA       PHE  45  -5.783  -0.506 -17.111
  373    HB2  PHE  45           HB2      PHE  45  -6.462  -1.286 -14.897
  374    HB3  PHE  45           HB3      PHE  45  -7.647  -2.383 -15.605
  375    HD1  PHE  45           HD1      PHE  45  -4.007  -1.692 -16.191
  376    HD2  PHE  45           HD2      PHE  45  -7.053  -4.651 -15.479
  377    HE1  PHE  45           HE1      PHE  45  -2.282  -3.471 -16.250
  378    HE2  PHE  45           HE2      PHE  45  -5.320  -6.430 -15.432
  379    HZ   PHE  45           HZ       PHE  45  -2.943  -5.851 -15.791
  380    H    ALA  46           H        ALA  46  -5.225  -1.235 -19.136
  381    HA   ALA  46           HA       ALA  46  -5.213  -2.433 -21.060
  382    HB1  ALA  46           HB1      ALA  46  -5.191  -4.880 -20.626
  383    HB2  ALA  46           HB2      ALA  46  -4.435  -4.005 -19.267
  384    HB3  ALA  46           HB3      ALA  46  -6.097  -4.610 -19.114
  385    H    GLY  47           H        GLY  47  -7.686  -1.137 -20.749
  386    HA2  GLY  47           HA2      GLY  47  -9.499  -0.959 -22.230
  387    HA3  GLY  47           HA3      GLY  47  -9.303  -2.647 -22.708
  388    H    LYS  48           H        LYS  48  -9.355  -2.318 -19.279
  389    HA   LYS  48           HA       LYS  48 -12.238  -3.003 -19.096
  390    HB2  LYS  48           HB2      LYS  48 -10.434  -4.826 -18.809
  391    HB3  LYS  48           HB3      LYS  48  -9.830  -3.911 -17.439
  392    HG2  LYS  48           HG2      LYS  48 -11.111  -5.564 -16.497
  393    HG3  LYS  48           HG3      LYS  48 -12.066  -4.098 -16.367
  394    HD2  LYS  48           HD2      LYS  48 -13.542  -5.913 -16.951
  395    HD3  LYS  48           HD3      LYS  48 -13.421  -4.860 -18.362
  396    HE2  LYS  48           HE2      LYS  48 -11.758  -6.399 -19.390
  397    HE3  LYS  48           HE3      LYS  48 -11.814  -7.428 -17.953
  398    HZ1  LYS  48           HZ1      LYS  48 -14.146  -7.891 -18.446
  399    HZ2  LYS  48           HZ2      LYS  48 -14.114  -6.931 -19.771
  400    HZ3  LYS  48           HZ3      LYS  48 -13.216  -8.298 -19.720
  401    H    GLN  49           H        GLN  49 -13.291  -1.386 -18.026
  402    HA   GLN  49           HA       GLN  49 -12.036   0.709 -16.438
  403    HB2  GLN  49           HB2      GLN  49 -14.362   0.586 -17.655
  404    HB3  GLN  49           HB3      GLN  49 -14.886  -0.366 -16.261
  405    HG2  GLN  49           HG2      GLN  49 -14.080   1.695 -14.853
  406    HG3  GLN  49           HG3      GLN  49 -14.113   2.556 -16.395
  407   HE21  GLN  49          HE22      GLN  49 -16.498   1.298 -17.583
  408   HE22  GLN  49          HE21      GLN  49 -17.852   1.734 -16.581
  409    H    LEU  50           H        LEU  50 -11.895   0.818 -14.164
  410    HA   LEU  50           HA       LEU  50 -12.429  -1.707 -12.644
  411    HB2  LEU  50           HB2      LEU  50 -10.668   0.534 -11.664
  412    HB3  LEU  50           HB3      LEU  50 -10.740  -1.155 -11.164
  413    HG   LEU  50           HG       LEU  50  -9.456  -0.020 -13.658
  414   HD11  LEU  50          HD11      LEU  50  -8.196   0.174 -11.519
  415   HD12  LEU  50          HD12      LEU  50  -8.252  -1.608 -11.368
  416   HD13  LEU  50          HD13      LEU  50  -7.397  -0.849 -12.721
  417   HD21  LEU  50          HD21      LEU  50 -10.010  -2.003 -14.650
  418   HD22  LEU  50          HD22      LEU  50  -8.684  -2.656 -13.665
  419   HD23  LEU  50          HD23      LEU  50 -10.353  -2.796 -13.118
  420    H    GLU  51           H        GLU  51 -13.400  -1.328 -10.396
  421    HA   GLU  51           HA       GLU  51 -14.763   1.314 -10.271
  422    HB2  GLU  51           HB2      GLU  51 -16.738   0.376  -9.418
  423    HB3  GLU  51           HB3      GLU  51 -16.333  -0.476 -10.908
  424    HG2  GLU  51           HG2      GLU  51 -15.438  -2.348  -9.558
  425    HG3  GLU  51           HG3      GLU  51 -15.902  -1.468  -8.078
  426    H    ASP  52           H        ASP  52 -15.278   2.080  -8.139
  427    HA   ASP  52           HA       ASP  52 -12.865   2.447  -6.785
  428    HB2  ASP  52           HB2      ASP  52 -15.739   3.091  -6.116
  429    HB3  ASP  52           HB3      ASP  52 -14.450   3.479  -4.994
  430    H    GLY  53           H        GLY  53 -15.503   0.220  -6.039
  431    HA2  GLY  53           HA2      GLY  53 -14.541  -0.425  -3.392
  432    HA3  GLY  53           HA3      GLY  53 -15.887  -1.167  -4.272
  433    H    ARG  54           H        ARG  54 -12.950  -1.197  -6.097
  434    HA   ARG  54           HA       ARG  54 -12.502  -4.090  -5.426
  435    HB2  ARG  54           HB2      ARG  54 -12.460  -2.575  -8.052
  436    HB3  ARG  54           HB3      ARG  54 -11.928  -4.269  -7.862
  437    HG2  ARG  54           HG2      ARG  54 -14.728  -3.155  -7.462
  438    HG3  ARG  54           HG3      ARG  54 -14.185  -4.176  -8.800
  439    HD2  ARG  54           HD2      ARG  54 -13.763  -5.978  -7.100
  440    HD3  ARG  54           HD3      ARG  54 -14.543  -4.927  -5.910
  441    HE   ARG  54           HE       ARG  54 -16.599  -5.327  -6.821
  442   HH11  ARG  54          HH11      ARG  54 -14.144  -6.784  -8.993
  443   HH12  ARG  54          HH12      ARG  54 -15.327  -7.544  -9.998
  444   HH21  ARG  54          HH21      ARG  54 -18.132  -6.406  -8.139
  445   HH22  ARG  54          HH22      ARG  54 -17.623  -7.351  -9.490
  446    H    THR  55           H        THR  55 -10.209  -4.735  -6.451
  447    HA   THR  55           HA       THR  55  -8.274  -2.671  -5.491
  448    HB   THR  55           HB       THR  55  -7.085  -4.581  -4.476
  449    HG1  THR  55           HG1      THR  55  -8.372  -6.550  -4.150
  450   HG21  THR  55          HG21      THR  55  -9.873  -4.184  -3.326
  451   HG22  THR  55          HG22      THR  55  -8.488  -4.908  -2.482
  452   HG23  THR  55          HG23      THR  55  -8.406  -3.224  -3.001
  453    H    LEU  56           H        LEU  56  -6.065  -3.309  -6.042
  454    HA   LEU  56           HA       LEU  56  -5.907  -3.649  -8.902
  455    HB2  LEU  56           HB2      LEU  56  -3.678  -3.998  -6.838
  456    HB3  LEU  56           HB3      LEU  56  -3.451  -3.656  -8.537
  457    HG   LEU  56           HG       LEU  56  -4.669  -1.828  -6.429
  458   HD11  LEU  56          HD11      LEU  56  -2.170  -1.583  -8.162
  459   HD12  LEU  56          HD12      LEU  56  -2.789  -0.364  -7.001
  460   HD13  LEU  56          HD13      LEU  56  -2.239  -1.937  -6.412
  461   HD21  LEU  56          HD21      LEU  56  -4.425  -1.412  -9.460
  462   HD22  LEU  56          HD22      LEU  56  -5.924  -1.441  -8.491
  463   HD23  LEU  56          HD23      LEU  56  -4.777  -0.120  -8.310
  464    H    SER  57           H        SER  57  -5.275  -5.961  -6.262
  465    HA   SER  57           HA       SER  57  -4.728  -8.215  -7.865
  466    HB2  SER  57           HB2      SER  57  -5.801  -7.794  -5.078
  467    HB3  SER  57           HB3      SER  57  -5.734  -9.433  -5.778
  468    HG   SER  57           HG       SER  57  -3.811  -9.033  -4.711
  469    H    ASP  58           H        ASP  58  -7.940  -6.692  -7.120
  470    HA   ASP  58           HA       ASP  58  -9.496  -9.010  -7.805
  471    HB2  ASP  58           HB2      ASP  58 -10.323  -7.020  -6.561
  472    HB3  ASP  58           HB3      ASP  58 -10.192  -6.071  -8.046
  473    H    TYR  59           H        TYR  59  -7.715  -6.645  -9.607
  474    HA   TYR  59           HA       TYR  59  -8.760  -7.633 -12.212
  475    HB2  TYR  59           HB2      TYR  59  -7.373  -5.073 -11.462
  476    HB3  TYR  59           HB3      TYR  59  -7.875  -5.492 -13.103
  477    HD1  TYR  59           HD2      TYR  59 -10.436  -6.157 -13.367
  478    HD2  TYR  59           HD1      TYR  59  -8.851  -3.803 -10.095
  479    HE1  TYR  59           HE2      TYR  59 -12.695  -5.264 -12.912
  480    HE2  TYR  59           HE1      TYR  59 -11.084  -2.947  -9.635
  481    HH   TYR  59           HH       TYR  59 -13.982  -3.832 -11.594
  482    H    ASN  60           H        ASN  60  -6.471  -8.462 -10.191
  483    HA   ASN  60           HA       ASN  60  -4.628  -9.649 -10.254
  484    HB2  ASN  60           HB2      ASN  60  -6.101 -10.723 -12.217
  485    HB3  ASN  60           HB3      ASN  60  -4.746 -10.190 -13.207
  486   HD21  ASN  60          HD22      ASN  60  -5.542 -11.904 -10.153
  487   HD22  ASN  60          HD21      ASN  60  -4.230 -13.067 -10.235
  488    H    ILE  61           H        ILE  61  -4.551  -6.751 -10.986
  489    HA   ILE  61           HA       ILE  61  -2.091  -6.210 -12.434
  490    HB   ILE  61           HB       ILE  61  -3.741  -4.780 -10.337
  491   HG12  ILE  61          HG12      ILE  61  -3.579  -3.923 -13.228
  492   HG13  ILE  61          HG13      ILE  61  -4.701  -5.199 -12.750
  493   HG21  ILE  61          HG21      ILE  61  -2.534  -2.667 -10.959
  494   HG22  ILE  61          HG22      ILE  61  -1.456  -3.859 -10.240
  495   HG23  ILE  61          HG23      ILE  61  -1.465  -3.619 -12.003
  496   HD11  ILE  61          HD11      ILE  61  -5.835  -3.063 -12.737
  497   HD12  ILE  61          HD12      ILE  61  -5.743  -3.714 -11.085
  498   HD13  ILE  61          HD13      ILE  61  -4.660  -2.417 -11.564
  499    H    GLN  62           H        GLN  62  -0.025  -6.109 -11.539
  500    HA   GLN  62           HA       GLN  62   0.357  -6.724  -8.650
  501    HB2  GLN  62           HB2      GLN  62   1.961  -7.746 -11.027
  502    HB3  GLN  62           HB3      GLN  62   2.378  -8.034  -9.333
  503    HG2  GLN  62           HG2      GLN  62  -0.250  -8.905 -10.588
  504    HG3  GLN  62           HG3      GLN  62   1.184  -9.915 -10.561
  505   HE21  GLN  62          HE22      GLN  62  -1.351  -8.441  -8.478
  506   HE22  GLN  62          HE21      GLN  62  -1.041  -9.482  -7.103
  507    H    LYS  63           H        LYS  63   3.116  -6.180  -8.553
  508    HA   LYS  63           HA       LYS  63   3.247  -3.365  -8.701
  509    HB2  LYS  63           HB2      LYS  63   5.514  -3.635  -8.013
  510    HB3  LYS  63           HB3      LYS  63   4.626  -4.990  -7.269
  511    HG2  LYS  63           HG2      LYS  63   5.478  -6.404  -9.221
  512    HG3  LYS  63           HG3      LYS  63   6.525  -5.026  -9.633
  513    HD2  LYS  63           HD2      LYS  63   7.400  -5.085  -7.226
  514    HD3  LYS  63           HD3      LYS  63   6.441  -6.552  -7.011
  515    HE2  LYS  63           HE2      LYS  63   8.435  -7.512  -7.518
  516    HE3  LYS  63           HE3      LYS  63   7.736  -7.402  -9.135
  517    HZ1  LYS  63           HZ1      LYS  63   9.099  -5.329  -9.444
  518    HZ2  LYS  63           HZ2      LYS  63   9.751  -5.557  -7.959
  519    HZ3  LYS  63           HZ3      LYS  63  10.019  -6.644  -9.138
  520    H    GLU  64           H        GLU  64   4.710  -2.140  -9.829
  521    HA   GLU  64           HA       GLU  64   5.360  -1.133 -11.656
  522    HB2  GLU  64           HB2      GLU  64   6.892  -3.743 -11.961
  523    HB3  GLU  64           HB3      GLU  64   7.277  -2.243 -12.848
  524    HG2  GLU  64           HG2      GLU  64   7.699  -1.056 -10.793
  525    HG3  GLU  64           HG3      GLU  64   7.239  -2.453  -9.814
  526    H    SER  65           H        SER  65   2.957  -1.772 -11.949
  527    HA   SER  65           HA       SER  65   2.609  -2.924 -14.720
  528    HB2  SER  65           HB2      SER  65   0.778  -3.257 -12.315
  529    HB3  SER  65           HB3      SER  65   0.360  -3.700 -13.968
  530    HG   SER  65           HG       SER  65   2.585  -4.746 -12.524
  531    H    THR  66           H        THR  66   0.935  -1.953 -15.944
  532    HA   THR  66           HA       THR  66   0.822   0.915 -15.293
  533    HB   THR  66           HB       THR  66   0.504  -0.490 -17.980
  534    HG1  THR  66           HG1      THR  66   2.657  -0.074 -18.281
  535   HG21  THR  66          HG21      THR  66  -0.434   1.833 -18.028
  536   HG22  THR  66          HG22      THR  66   1.115   2.456 -17.418
  537   HG23  THR  66          HG23      THR  66   1.025   1.684 -19.009
  538    H    LEU  67           H        LEU  67  -0.998   2.093 -15.446
  539    HA   LEU  67           HA       LEU  67  -3.661   0.811 -15.818
  540    HB2  LEU  67           HB2      LEU  67  -2.383   1.850 -13.432
  541    HB3  LEU  67           HB3      LEU  67  -3.506   3.086 -13.987
  542    HG   LEU  67           HG       LEU  67  -5.325   1.443 -13.975
  543   HD11  LEU  67          HD11      LEU  67  -3.880  -0.633 -14.172
  544   HD12  LEU  67          HD12      LEU  67  -3.243  -0.319 -12.556
  545   HD13  LEU  67          HD13      LEU  67  -4.985  -0.680 -12.800
  546   HD21  LEU  67          HD21      LEU  67  -3.803   1.738 -11.342
  547   HD22  LEU  67          HD22      LEU  67  -4.841   2.974 -12.085
  548   HD23  LEU  67          HD23      LEU  67  -5.541   1.424 -11.524
  549    H    HIS  68           H        HIS  68  -5.335   2.718 -15.979
  550    HA   HIS  68           HA       HIS  68  -4.193   4.931 -17.669
  551    HB2  HIS  68           HB2      HIS  68  -6.424   2.992 -18.171
  552    HB3  HIS  68           HB3      HIS  68  -6.627   4.646 -18.722
  553    HD2  HIS  68           HD2      HIS  68  -5.654   5.271 -20.959
  554    HE1  HIS  68           HE1      HIS  68  -3.440   1.748 -21.831
  555    H    LEU  69           H        LEU  69  -4.941   7.061 -16.986
  556    HA   LEU  69           HA       LEU  69  -7.159   7.150 -14.957
  557    HB2  LEU  69           HB2      LEU  69  -4.989   8.176 -14.326
  558    HB3  LEU  69           HB3      LEU  69  -4.933   9.023 -15.862
  559    HG   LEU  69           HG       LEU  69  -5.263  10.372 -13.871
  560   HD11  LEU  69          HD11      LEU  69  -5.720  11.256 -16.158
  561   HD12  LEU  69          HD12      LEU  69  -7.436  10.872 -15.925
  562   HD13  LEU  69          HD13      LEU  69  -6.629  12.024 -14.865
  563   HD21  LEU  69          HD21      LEU  69  -7.009   8.826 -12.849
  564   HD22  LEU  69          HD22      LEU  69  -7.283  10.587 -12.831
  565   HD23  LEU  69          HD23      LEU  69  -8.174   9.559 -13.994
  566    H    VAL  70           H        VAL  70  -9.080   8.133 -15.674
  567    HA   VAL  70           HA       VAL  70  -8.870  10.000 -17.997
  568    HB   VAL  70           HB       VAL  70 -10.665   9.125 -19.158
  569   HG11  VAL  70          HG11      VAL  70  -8.644   7.542 -19.203
  570   HG12  VAL  70          HG12      VAL  70  -9.563   6.488 -18.134
  571   HG13  VAL  70          HG13      VAL  70 -10.209   6.884 -19.752
  572   HG21  VAL  70          HG21      VAL  70 -12.352   8.758 -17.474
  573   HG22  VAL  70          HG22      VAL  70 -12.175   7.240 -18.350
  574   HG23  VAL  70          HG23      VAL  70 -11.324   7.461 -16.787
  575    H    LEU  71           H        LEU  71 -10.854  11.345 -18.103
  576    HA   LEU  71           HA       LEU  71 -11.680  12.147 -15.364
  577    HB2  LEU  71           HB2      LEU  71 -10.405  13.679 -16.966
  578    HB3  LEU  71           HB3      LEU  71 -11.830  13.626 -17.999
  579    HG   LEU  71           HG       LEU  71 -11.362  15.645 -16.466
  580   HD11  LEU  71          HD11      LEU  71 -13.872  15.994 -16.224
  581   HD12  LEU  71          HD12      LEU  71 -13.268  15.642 -17.847
  582   HD13  LEU  71          HD13      LEU  71 -14.073  14.365 -16.950
  583   HD21  LEU  71          HD21      LEU  71 -11.128  14.361 -14.354
  584   HD22  LEU  71          HD22      LEU  71 -12.336  15.651 -14.295
  585   HD23  LEU  71          HD23      LEU  71 -12.857  13.960 -14.437
  586    H    ARG  72           H        ARG  72 -13.673  11.498 -14.934
  587    HA   ARG  72           HA       ARG  72 -15.636  11.141 -17.159
  588    HB2  ARG  72           HB2      ARG  72 -16.820   9.521 -15.852
  589    HB3  ARG  72           HB3      ARG  72 -15.121   9.052 -15.932
  590    HG2  ARG  72           HG2      ARG  72 -14.740   9.566 -13.646
  591    HG3  ARG  72           HG3      ARG  72 -16.133  10.626 -13.516
  592    HD2  ARG  72           HD2      ARG  72 -16.319   7.637 -13.895
  593    HD3  ARG  72           HD3      ARG  72 -16.441   8.491 -12.337
  594    HE   ARG  72           HE       ARG  72 -18.330   9.761 -13.851
  595   HH11  ARG  72          HH11      ARG  72 -17.958   6.418 -12.655
  596   HH12  ARG  72          HH12      ARG  72 -19.624   6.047 -12.865
  597   HH21  ARG  72          HH21      ARG  72 -20.481   9.264 -14.091
  598   HH22  ARG  72          HH22      ARG  72 -21.115   7.728 -13.626
  599    H    LEU  73           H        LEU  73 -14.847  13.517 -15.430
  600    HA   LEU  73           HA       LEU  73 -15.847  15.401 -14.714
  601    HB2  LEU  73           HB2      LEU  73 -18.467  14.372 -15.851
  602    HB3  LEU  73           HB3      LEU  73 -17.965  16.012 -15.524
  603    HG   LEU  73           HG       LEU  73 -16.114  15.601 -17.327
  604   HD11  LEU  73          HD11      LEU  73 -17.847  13.152 -17.820
  605   HD12  LEU  73          HD12      LEU  73 -17.101  14.008 -19.167
  606   HD13  LEU  73          HD13      LEU  73 -16.086  13.329 -17.949
  607   HD21  LEU  73          HD21      LEU  73 -17.934  17.134 -17.553
  608   HD22  LEU  73          HD22      LEU  73 -17.795  16.236 -19.059
  609   HD23  LEU  73          HD23      LEU  73 -19.082  15.837 -17.895
  610    H    ARG  74           H        ARG  74 -18.177  12.688 -13.902
  611    HA   ARG  74           HA       ARG  74 -18.420  13.600 -11.124
  612    HB2  ARG  74           HB2      ARG  74 -20.795  14.125 -11.422
  613    HB3  ARG  74           HB3      ARG  74 -19.776  15.150 -12.435
  614    HG2  ARG  74           HG2      ARG  74 -20.308  13.681 -14.413
  615    HG3  ARG  74           HG3      ARG  74 -21.458  12.793 -13.413
  616    HD2  ARG  74           HD2      ARG  74 -22.810  14.755 -13.101
  617    HD3  ARG  74           HD3      ARG  74 -21.569  15.803 -13.820
  618    HE   ARG  74           HE       ARG  74 -22.058  14.025 -15.848
  619   HH11  ARG  74          HH11      ARG  74 -24.292  16.082 -13.976
  620   HH12  ARG  74          HH12      ARG  74 -25.364  16.334 -15.300
  621   HH21  ARG  74          HH21      ARG  74 -23.418  14.343 -17.566
  622   HH22  ARG  74          HH22      ARG  74 -24.881  15.275 -17.401
  623    H    GLY  75           H        GLY  75 -19.513  11.926  -9.864
  624    HA2  GLY  75           HA2      GLY  75 -19.661   9.282 -10.947
  625    HA3  GLY  75           HA3      GLY  75 -20.295   9.840  -9.393
  626    H    GLY  76           H        GLY  76 -22.027  11.949 -10.703
  627    HA2  GLY  76           HA2      GLY  76 -23.801  10.852 -12.607
  628    HA3  GLY  76           HA3      GLY  76 -24.452  10.590 -10.982
  629    H1   GLY  -3           H1       GLY  -3 -11.941  23.586 -23.726
  630    H2   GLY  -3           H2       GLY  -3 -11.506  25.067 -23.189
  631    H3   GLY  -3           H3       GLY  -3 -12.377  24.925 -24.564
  632    HA2  GLY  -3           HA2      GLY  -3 -13.810  25.662 -22.796
  633    HA3  GLY  -3           HA3      GLY  -3 -14.257  24.051 -23.364
  634    H    HIS  -2           H        HIS  -2 -15.344  24.098 -21.146
  635    HA   HIS  -2           HA       HIS  -2 -13.801  24.129 -18.755
  636    HB2  HIS  -2           HB2      HIS  -2 -16.572  22.971 -19.296
  637    HB3  HIS  -2           HB3      HIS  -2 -15.894  23.275 -17.704
  638    HD2  HIS  -2           HD2      HIS  -2 -15.456  25.937 -17.035
  639    HE1  HIS  -2           HE1      HIS  -2 -18.119  27.524 -19.965
  640    H    MET  -1           H        MET  -1 -14.401  21.520 -21.025
  641    HA   MET  -1           HA       MET  -1 -13.108  19.545 -19.210
  642    HB2  MET  -1           HB2      MET  -1 -15.642  19.190 -20.866
  643    HB3  MET  -1           HB3      MET  -1 -14.757  17.851 -20.124
  644    HG2  MET  -1           HG2      MET  -1 -16.008  20.162 -18.600
  645    HG3  MET  -1           HG3      MET  -1 -16.718  18.577 -18.826
  646    HE1  MET  -1           HE1      MET  -1 -15.690  18.859 -14.981
  647    HE2  MET  -1           HE2      MET  -1 -16.046  20.252 -16.028
  648    HE3  MET  -1           HE3      MET  -1 -17.063  18.794 -16.114
  649    H    PHE 679           H        PHE 679 -12.441  17.556 -20.564
  650    HA   PHE 679           HA       PHE 679 -10.799  16.867 -21.922
  651    HB2  PHE 679           HB2      PHE 679 -12.575  16.410 -23.309
  652    HB3  PHE 679           HB3      PHE 679 -12.668  18.044 -23.963
  653    HD1  PHE 679           HD2      PHE 679 -10.557  14.973 -23.802
  654    HD2  PHE 679           HD1      PHE 679 -11.431  18.591 -25.955
  655    HE1  PHE 679           HE2      PHE 679  -9.203  14.151 -25.728
  656    HE2  PHE 679           HE1      PHE 679 -10.050  17.792 -27.858
  657    HZ   PHE 679           HZ       PHE 679  -8.939  15.575 -27.757
  658    HA   PRO 680           HA       PRO 680  -8.429  20.868 -21.942
  659    HB2  PRO 680           HB2      PRO 680  -7.036  20.576 -19.637
  660    HB3  PRO 680           HB3      PRO 680  -8.733  21.134 -19.603
  661    HG2  PRO 680           HG2      PRO 680  -7.773  18.253 -19.331
  662    HG3  PRO 680           HG3      PRO 680  -8.748  19.178 -18.131
  663    HD2  PRO 680           HD2      PRO 680  -9.888  17.575 -19.966
  664    HD3  PRO 680           HD3      PRO 680 -10.612  19.174 -19.583
  665    H    SER 681           H        SER 681  -5.840  20.723 -21.578
  666    HA   SER 681           HA       SER 681  -4.647  18.863 -23.253
  667    HB2  SER 681           HB2      SER 681  -3.295  20.246 -20.912
  668    HB3  SER 681           HB3      SER 681  -2.577  19.760 -22.462
  669    HG   SER 681           HG       SER 681  -3.075  22.020 -22.401
  670    H    ASP 682           H        ASP 682  -5.738  18.216 -20.019
  671    HA   ASP 682           HA       ASP 682  -4.088  16.048 -19.227
  672    HB2  ASP 682           HB2      ASP 682  -5.924  17.210 -17.898
  673    HB3  ASP 682           HB3      ASP 682  -7.065  16.225 -18.847
  674    H    ILE 683           H        ILE 683  -5.892  16.157 -22.056
  675    HA   ILE 683           HA       ILE 683  -6.023  13.198 -22.151
  676    HB   ILE 683           HB       ILE 683  -8.045  14.907 -23.516
  677   HG12  ILE 683          HG12      ILE 683  -8.304  15.690 -21.126
  678   HG13  ILE 683          HG13      ILE 683  -9.676  14.814 -21.758
  679   HG21  ILE 683          HG21      ILE 683  -7.713  12.452 -23.891
  680   HG22  ILE 683          HG22      ILE 683  -8.309  12.255 -22.228
  681   HG23  ILE 683          HG23      ILE 683  -9.340  12.992 -23.457
  682   HD11  ILE 683          HD11      ILE 683  -9.358  12.950 -20.398
  683   HD12  ILE 683          HD12      ILE 683  -7.732  13.443 -19.895
  684   HD13  ILE 683          HD13      ILE 683  -9.159  14.370 -19.384
  685    H    ASP 684           H        ASP 684  -5.215  12.356 -24.053
  686    HA   ASP 684           HA       ASP 684  -4.445  14.132 -26.292
  687    HB2  ASP 684           HB2      ASP 684  -2.492  13.916 -24.834
  688    HB3  ASP 684           HB3      ASP 684  -2.620  12.157 -24.831
  689    HA   PRO 685           HA       PRO 685  -6.446  10.951 -28.687
  690    HB2  PRO 685           HB2      PRO 685  -4.135  11.489 -30.558
  691    HB3  PRO 685           HB3      PRO 685  -5.865  11.223 -30.949
  692    HG2  PRO 685           HG2      PRO 685  -4.899  13.737 -30.817
  693    HG3  PRO 685           HG3      PRO 685  -6.476  13.358 -30.045
  694    HD2  PRO 685           HD2      PRO 685  -3.781  13.691 -28.754
  695    HD3  PRO 685           HD3      PRO 685  -5.386  14.220 -28.182
  696    H    GLN 686           H        GLN 686  -2.848  10.538 -28.191
  697    HA   GLN 686           HA       GLN 686  -2.749   7.908 -29.266
  698    HB2  GLN 686           HB2      GLN 686  -0.758   9.340 -28.716
  699    HB3  GLN 686           HB3      GLN 686  -1.079   9.080 -26.994
  700    HG2  GLN 686           HG2      GLN 686  -0.894   6.525 -27.559
  701    HG3  GLN 686           HG3      GLN 686  -0.170   7.064 -29.077
  702   HE21  GLN 686          HE22      GLN 686   1.927   8.308 -28.912
  703   HE22  GLN 686          HE21      GLN 686   2.906   8.132 -27.473
  704    H    VAL 687           H        VAL 687  -3.102   8.981 -25.826
  705    HA   VAL 687           HA       VAL 687  -3.395   6.275 -24.867
  706    HB   VAL 687           HB       VAL 687  -4.270   8.818 -23.472
  707   HG11  VAL 687          HG11      VAL 687  -3.382   6.052 -22.580
  708   HG12  VAL 687          HG12      VAL 687  -3.581   7.430 -21.446
  709   HG13  VAL 687          HG13      VAL 687  -4.948   6.793 -22.376
  710   HG21  VAL 687          HG21      VAL 687  -1.477   7.754 -23.929
  711   HG22  VAL 687          HG22      VAL 687  -2.089   9.428 -24.065
  712   HG23  VAL 687          HG23      VAL 687  -1.897   8.694 -22.475
  713    H    PHE 688           H        PHE 688  -5.606   8.935 -25.629
  714    HA   PHE 688           HA       PHE 688  -8.020   7.806 -24.755
  715    HB2  PHE 688           HB2      PHE 688  -7.433  10.049 -25.037
  716    HB3  PHE 688           HB3      PHE 688  -7.269   9.877 -26.796
  717    HD1  PHE 688           HD1      PHE 688 -10.036   9.109 -24.288
  718    HD2  PHE 688           HD2      PHE 688  -8.941  10.695 -28.147
  719    HE1  PHE 688           HE1      PHE 688 -12.444   9.521 -24.807
  720    HE2  PHE 688           HE2      PHE 688 -11.316  11.145 -28.627
  721    HZ   PHE 688           HZ       PHE 688 -13.068  10.558 -26.971
  722    H    TYR 689           H        TYR 689  -6.052   7.116 -27.647
  723    HA   TYR 689           HA       TYR 689  -8.189   5.526 -28.902
  724    HB2  TYR 689           HB2      TYR 689  -6.482   6.955 -30.134
  725    HB3  TYR 689           HB3      TYR 689  -5.260   5.776 -29.680
  726    HD1  TYR 689           HD1      TYR 689  -8.230   6.510 -31.730
  727    HD2  TYR 689           HD2      TYR 689  -5.257   3.533 -30.770
  728    HE1  TYR 689           HE1      TYR 689  -8.881   5.214 -33.747
  729    HE2  TYR 689           HE2      TYR 689  -5.902   2.230 -32.772
  730    HH   TYR 689           HH       TYR 689  -7.312   2.089 -34.629
  731    H    GLU 690           H        GLU 690  -5.287   5.057 -26.892
  732    HA   GLU 690           HA       GLU 690  -4.994   2.214 -26.914
  733    HB2  GLU 690           HB2      GLU 690  -3.742   4.331 -25.796
  734    HB3  GLU 690           HB3      GLU 690  -4.669   3.771 -24.393
  735    HG2  GLU 690           HG2      GLU 690  -3.612   1.569 -24.575
  736    HG3  GLU 690           HG3      GLU 690  -2.792   2.050 -26.064
  737    H    LEU 691           H        LEU 691  -7.255   4.377 -25.525
  738    HA   LEU 691           HA       LEU 691  -8.345   2.912 -23.425
  739    HB2  LEU 691           HB2      LEU 691  -8.382   5.482 -24.489
  740    HB3  LEU 691           HB3      LEU 691  -9.971   4.958 -24.950
  741    HG   LEU 691           HG       LEU 691 -10.581   4.729 -22.619
  742   HD11  LEU 691          HD11      LEU 691  -8.537   3.866 -21.554
  743   HD12  LEU 691          HD12      LEU 691  -7.617   5.275 -22.139
  744   HD13  LEU 691          HD13      LEU 691  -8.830   5.445 -20.854
  745   HD21  LEU 691          HD21      LEU 691 -10.666   6.938 -23.661
  746   HD22  LEU 691          HD22      LEU 691 -10.494   6.980 -21.922
  747   HD23  LEU 691          HD23      LEU 691  -9.076   7.300 -22.960
  748    HA   PRO 692           HA       PRO 692 -11.532   0.357 -25.449
  749    HB2  PRO 692           HB2      PRO 692 -13.531   0.337 -23.560
  750    HB3  PRO 692           HB3      PRO 692 -11.986  -0.538 -23.343
  751    HG2  PRO 692           HG2      PRO 692 -12.657   2.285 -22.377
  752    HG3  PRO 692           HG3      PRO 692 -12.071   0.898 -21.384
  753    HD2  PRO 692           HD2      PRO 692 -10.371   2.717 -22.315
  754    HD3  PRO 692           HD3      PRO 692  -9.910   1.013 -22.441
  755    H    GLU 693           H        GLU 693 -13.602   0.648 -26.572
  756    HA   GLU 693           HA       GLU 693 -14.060   3.381 -27.314
  757    HB2  GLU 693           HB2      GLU 693 -15.760   2.507 -28.800
  758    HB3  GLU 693           HB3      GLU 693 -14.274   1.565 -28.887
  759    HG2  GLU 693           HG2      GLU 693 -15.347  -0.183 -27.426
  760    HG3  GLU 693           HG3      GLU 693 -16.851   0.739 -27.482
  761    H    ALA 694           H        ALA 694 -15.959   1.156 -25.232
  762    HA   ALA 694           HA       ALA 694 -18.258   2.796 -25.152
  763    HB1  ALA 694           HB1      ALA 694 -18.224   0.415 -24.548
  764    HB2  ALA 694           HB2      ALA 694 -17.257   0.774 -23.096
  765    HB3  ALA 694           HB3      ALA 694 -18.917   1.381 -23.230
  766    H    VAL 695           H        VAL 695 -15.427   2.691 -22.947
  767    HA   VAL 695           HA       VAL 695 -16.611   4.707 -21.217
  768    HB   VAL 695           HB       VAL 695 -13.650   4.092 -21.224
  769   HG11  VAL 695          HG11      VAL 695 -14.349   5.881 -19.718
  770   HG12  VAL 695          HG12      VAL 695 -15.747   4.929 -19.159
  771   HG13  VAL 695          HG13      VAL 695 -14.124   4.434 -18.704
  772   HG21  VAL 695          HG21      VAL 695 -14.064   2.269 -19.619
  773   HG22  VAL 695          HG22      VAL 695 -15.825   2.430 -19.870
  774   HG23  VAL 695          HG23      VAL 695 -14.763   1.853 -21.175
  775    H    GLN 696           H        GLN 696 -14.472   4.836 -24.114
  776    HA   GLN 696           HA       GLN 696 -13.938   7.644 -23.919
  777    HB2  GLN 696           HB2      GLN 696 -14.365   5.870 -26.376
  778    HB3  GLN 696           HB3      GLN 696 -13.929   7.560 -26.480
  779    HG2  GLN 696           HG2      GLN 696 -11.795   7.198 -25.500
  780    HG3  GLN 696           HG3      GLN 696 -12.189   5.572 -25.010
  781   HE21  GLN 696          HE22      GLN 696 -11.602   3.952 -26.511
  782   HE22  GLN 696          HE21      GLN 696 -11.230   4.224 -28.202
  783    H    LYS 697           H        LYS 697 -16.741   5.832 -25.334
  784    HA   LYS 697           HA       LYS 697 -18.192   8.100 -26.270
  785    HB2  LYS 697           HB2      LYS 697 -19.081   5.346 -25.358
  786    HB3  LYS 697           HB3      LYS 697 -20.262   6.620 -25.509
  787    HG2  LYS 697           HG2      LYS 697 -20.457   5.592 -27.502
  788    HG3  LYS 697           HG3      LYS 697 -19.474   6.990 -27.910
  789    HD2  LYS 697           HD2      LYS 697 -18.225   4.284 -27.291
  790    HD3  LYS 697           HD3      LYS 697 -18.957   4.556 -28.852
  791    HE2  LYS 697           HE2      LYS 697 -16.815   6.446 -27.798
  792    HE3  LYS 697           HE3      LYS 697 -16.402   4.926 -28.591
  793    HZ1  LYS 697           HZ1      LYS 697 -17.619   5.644 -30.566
  794    HZ2  LYS 697           HZ2      LYS 697 -18.027   7.068 -29.882
  795    HZ3  LYS 697           HZ3      LYS 697 -16.462   6.729 -30.209
  796    H    GLU 698           H        GLU 698 -18.130   6.706 -22.964
  797    HA   GLU 698           HA       GLU 698 -20.043   8.473 -21.825
  798    HB2  GLU 698           HB2      GLU 698 -18.325   6.591 -20.625
  799    HB3  GLU 698           HB3      GLU 698 -17.623   8.105 -20.064
  800    HG2  GLU 698           HG2      GLU 698 -19.138   7.901 -18.432
  801    HG3  GLU 698           HG3      GLU 698 -20.156   8.773 -19.552
  802    H    LEU 699           H        LEU 699 -16.569   8.728 -22.110
  803    HA   LEU 699           HA       LEU 699 -16.144  11.175 -20.769
  804    HB2  LEU 699           HB2      LEU 699 -14.668   9.402 -22.719
  805    HB3  LEU 699           HB3      LEU 699 -14.013  10.966 -22.430
  806    HG   LEU 699           HG       LEU 699 -13.394  10.483 -20.243
  807   HD11  LEU 699          HD11      LEU 699 -14.182   8.672 -18.819
  808   HD12  LEU 699          HD12      LEU 699 -15.485   9.770 -19.240
  809   HD13  LEU 699          HD13      LEU 699 -15.352   8.184 -20.051
  810   HD21  LEU 699          HD21      LEU 699 -12.285   8.279 -20.360
  811   HD22  LEU 699          HD22      LEU 699 -13.326   7.793 -21.682
  812   HD23  LEU 699          HD23      LEU 699 -12.168   9.139 -21.904
  813    H    LEU 700           H        LEU 700 -16.052  10.623 -24.328
  814    HA   LEU 700           HA       LEU 700 -15.794  13.367 -24.900
  815    HB2  LEU 700           HB2      LEU 700 -16.262  12.836 -27.215
  816    HB3  LEU 700           HB3      LEU 700 -15.103  11.735 -26.475
  817    HG   LEU 700           HG       LEU 700 -17.449  10.381 -26.065
  818   HD11  LEU 700          HD11      LEU 700 -17.753  11.610 -28.828
  819   HD12  LEU 700          HD12      LEU 700 -18.783  10.355 -28.095
  820   HD13  LEU 700          HD13      LEU 700 -18.776  11.988 -27.431
  821   HD21  LEU 700          HD21      LEU 700 -16.731   8.893 -27.878
  822   HD22  LEU 700          HD22      LEU 700 -15.712  10.193 -28.559
  823   HD23  LEU 700          HD23      LEU 700 -15.333   9.482 -26.976
  824    H    ALA 701           H        ALA 701 -18.778  11.398 -24.564
  825    HA   ALA 701           HA       ALA 701 -20.462  13.435 -25.705
  826    HB1  ALA 701           HB1      ALA 701 -21.081  11.047 -25.570
  827    HB2  ALA 701           HB2      ALA 701 -21.117  11.150 -23.792
  828    HB3  ALA 701           HB3      ALA 701 -22.291  12.075 -24.763
  829    H    GLU 702           H        GLU 702 -19.702  12.524 -22.289
  830    HA   GLU 702           HA       GLU 702 -21.127  14.704 -21.082
  831    HB2  GLU 702           HB2      GLU 702 -18.697  13.040 -20.293
  832    HB3  GLU 702           HB3      GLU 702 -19.424  14.242 -19.237
  833    HG2  GLU 702           HG2      GLU 702 -21.029  11.919 -20.256
  834    HG3  GLU 702           HG3      GLU 702 -19.961  11.829 -18.838
  835    H    TRP 703           H        TRP 703 -17.734  14.382 -22.256
  836    HA   TRP 703           HA       TRP 703 -16.850  16.738 -21.073
  837    HB2  TRP 703           HB2      TRP 703 -15.929  15.387 -23.641
  838    HB3  TRP 703           HB3      TRP 703 -15.076  16.724 -22.916
  839    HD1  TRP 703           HD1      TRP 703 -15.380  14.997 -19.852
  840    HE1  TRP 703           HE1      TRP 703 -13.710  13.121 -19.483
  841    HE3  TRP 703           HE3      TRP 703 -13.733  14.343 -24.655
  842    HZ2  TRP 703           HZ2      TRP 703 -11.490  11.878 -20.938
  843    HZ3  TRP 703           HZ3      TRP 703 -11.982  12.663 -25.135
  844    HH2  TRP 703           HH2      TRP 703 -10.903  11.404 -23.290
  845    H    LYS 704           H        LYS 704 -18.176  16.208 -24.420
  846    HA   LYS 704           HA       LYS 704 -18.018  19.061 -24.982
  847    HB2  LYS 704           HB2      LYS 704 -18.951  18.589 -27.098
  848    HB3  LYS 704           HB3      LYS 704 -17.814  17.292 -26.717
  849    HG2  LYS 704           HG2      LYS 704 -19.820  15.892 -25.998
  850    HG3  LYS 704           HG3      LYS 704 -20.863  17.166 -26.631
  851    HD2  LYS 704           HD2      LYS 704 -19.957  16.908 -28.863
  852    HD3  LYS 704           HD3      LYS 704 -18.731  15.749 -28.281
  853    HE2  LYS 704           HE2      LYS 704 -20.400  14.126 -27.684
  854    HE3  LYS 704           HE3      LYS 704 -21.720  15.270 -27.947
  855    HZ1  LYS 704           HZ1      LYS 704 -19.963  14.213 -30.107
  856    HZ2  LYS 704           HZ2      LYS 704 -21.499  13.739 -29.820
  857    HZ3  LYS 704           HZ3      LYS 704 -21.199  15.260 -30.321
  858    H    ARG 705           H        ARG 705 -20.596  16.925 -23.719
  859    HA   ARG 705           HA       ARG 705 -22.760  18.751 -24.152
  860    HB2  ARG 705           HB2      ARG 705 -22.268  16.416 -22.257
  861    HB3  ARG 705           HB3      ARG 705 -23.690  17.441 -22.041
  862    HG2  ARG 705           HG2      ARG 705 -24.533  17.000 -24.209
  863    HG3  ARG 705           HG3      ARG 705 -23.028  16.208 -24.736
  864    HD2  ARG 705           HD2      ARG 705 -23.387  14.384 -23.132
  865    HD3  ARG 705           HD3      ARG 705 -24.867  15.174 -22.536
  866    HE   ARG 705           HE       ARG 705 -25.065  14.823 -25.352
  867   HH11  ARG 705          HH21      ARG 705 -25.088  12.844 -22.391
  868   HH12  ARG 705          HH22      ARG 705 -26.061  11.591 -23.065
  869   HH21  ARG 705          HH11      ARG 705 -26.391  13.157 -26.247
  870   HH22  ARG 705          HH12      ARG 705 -26.824  11.781 -25.306
  871    H    THR 706           H        THR 706 -20.602  18.253 -21.316
  872    HA   THR 706           HA       THR 706 -21.924  20.412 -19.891
  873    HB   THR 706           HB       THR 706 -20.094  20.021 -18.217
  874    HG1  THR 706           HG1      THR 706 -19.306  17.888 -19.931
  875   HG21  THR 706          HG21      THR 706 -22.180  18.669 -18.100
  876   HG22  THR 706          HG22      THR 706 -21.433  17.435 -19.138
  877   HG23  THR 706          HG23      THR 706 -20.762  17.774 -17.527
  878    H    GLY 707           H        GLY 707 -19.077  20.020 -21.904
  879    HA2  GLY 707           HA2      GLY 707 -17.369  22.009 -21.387
  880    HA3  GLY 707           HA3      GLY 707 -17.767  21.440 -23.012
  Start of MODEL    7
    1    H1   MET   1           H1       MET   1   4.668  -2.681  -2.584
    2    H2   MET   1           H2       MET   1   5.084  -1.101  -2.610
    3    H3   MET   1           H3       MET   1   3.523  -1.521  -2.847
    4    HA   MET   1           HA       MET   1   5.818  -2.100  -4.643
    5    HB2  MET   1           HB2      MET   1   4.381  -3.041  -6.225
    6    HB3  MET   1           HB3      MET   1   4.145  -3.940  -4.725
    7    HG2  MET   1           HG2      MET   1   1.942  -2.612  -4.499
    8    HG3  MET   1           HG3      MET   1   2.283  -1.981  -6.130
    9    HE1  MET   1           HE1      MET   1  -0.341  -4.622  -7.352
   10    HE2  MET   1           HE2      MET   1  -0.424  -3.226  -6.273
   11    HE3  MET   1           HE3      MET   1   0.468  -3.099  -7.819
   12    H    GLN   2           H        GLN   2   5.240  -1.122  -7.001
   13    HA   GLN   2           HA       GLN   2   3.834   1.461  -6.665
   14    HB2  GLN   2           HB2      GLN   2   5.517   2.614  -7.734
   15    HB3  GLN   2           HB3      GLN   2   6.417   1.540  -6.672
   16    HG2  GLN   2           HG2      GLN   2   6.014   1.130  -9.681
   17    HG3  GLN   2           HG3      GLN   2   7.404   1.873  -8.928
   18   HE21  GLN   2          HE22      GLN   2   9.117   0.450  -9.286
   19   HE22  GLN   2          HE21      GLN   2   9.043  -1.259  -8.921
   20    H    ILE   3           H        ILE   3   2.821   2.267  -8.590
   21    HA   ILE   3           HA       ILE   3   2.794   0.433 -10.989
   22    HB   ILE   3           HB       ILE   3   0.324   0.716 -11.150
   23   HG12  ILE   3          HG12      ILE   3   0.294   1.400  -8.184
   24   HG13  ILE   3          HG13      ILE   3   0.413   2.664  -9.382
   25   HG21  ILE   3          HG21      ILE   3   1.435  -1.395 -10.350
   26   HG22  ILE   3          HG22      ILE   3   1.212  -0.884  -8.674
   27   HG23  ILE   3          HG23      ILE   3  -0.198  -1.186  -9.706
   28   HD11  ILE   3          HD11      ILE   3  -1.852   0.674  -9.261
   29   HD12  ILE   3          HD12      ILE   3  -1.866   2.396  -8.774
   30   HD13  ILE   3          HD13      ILE   3  -1.616   1.956 -10.482
   31    H    PHE   4           H        PHE   4   2.023   1.437 -12.863
   32    HA   PHE   4           HA       PHE   4   2.777   4.323 -12.868
   33    HB2  PHE   4           HB2      PHE   4   2.879   2.523 -15.276
   34    HB3  PHE   4           HB3      PHE   4   3.754   4.006 -14.901
   35    HD1  PHE   4           HD2      PHE   4   5.168   3.755 -12.581
   36    HD2  PHE   4           HD1      PHE   4   4.184   0.567 -15.287
   37    HE1  PHE   4           HE2      PHE   4   6.998   2.377 -11.630
   38    HE2  PHE   4           HE1      PHE   4   6.162  -0.693 -14.491
   39    HZ   PHE   4           HZ       PHE   4   7.569   0.181 -12.660
   40    H    VAL   5           H        VAL   5   0.808   5.426 -12.770
   41    HA   VAL   5           HA       VAL   5  -1.438   4.394 -14.440
   42    HB   VAL   5           HB       VAL   5  -1.420   6.676 -12.452
   43   HG11  VAL   5          HG11      VAL   5  -3.131   6.928 -14.161
   44   HG12  VAL   5          HG12      VAL   5  -3.713   5.265 -13.916
   45   HG13  VAL   5          HG13      VAL   5  -3.878   6.479 -12.614
   46   HG21  VAL   5          HG21      VAL   5  -2.628   5.088 -10.999
   47   HG22  VAL   5          HG22      VAL   5  -2.456   3.812 -12.192
   48   HG23  VAL   5          HG23      VAL   5  -1.024   4.427 -11.411
   49    H    LYS   6           H        LYS   6  -1.042   4.809 -16.560
   50    HA   LYS   6           HA       LYS   6   0.165   7.310 -17.494
   51    HB2  LYS   6           HB2      LYS   6   0.128   5.018 -18.709
   52    HB3  LYS   6           HB3      LYS   6  -1.566   5.375 -19.078
   53    HG2  LYS   6           HG2      LYS   6  -0.588   7.711 -19.953
   54    HG3  LYS   6           HG3      LYS   6   0.958   6.854 -19.902
   55    HD2  LYS   6           HD2      LYS   6  -0.365   5.011 -21.236
   56    HD3  LYS   6           HD3      LYS   6  -1.500   6.353 -21.631
   57    HE2  LYS   6           HE2      LYS   6   0.141   7.562 -22.806
   58    HE3  LYS   6           HE3      LYS   6   1.486   6.728 -22.036
   59    HZ1  LYS   6           HZ1      LYS   6   1.074   4.767 -23.309
   60    HZ2  LYS   6           HZ2      LYS   6  -0.320   5.310 -23.950
   61    HZ3  LYS   6           HZ3      LYS   6   1.119   6.003 -24.369
   62    H    THR   7           H        THR   7  -0.989   9.263 -17.508
   63    HA   THR   7           HA       THR   7  -3.867   9.051 -17.266
   64    HB   THR   7           HB       THR   7  -3.821  11.452 -17.333
   65    HG1  THR   7           HG1      THR   7  -1.599  12.380 -17.323
   66   HG21  THR   7          HG21      THR   7  -1.894  10.117 -15.402
   67   HG22  THR   7          HG22      THR   7  -2.364  11.822 -15.280
   68   HG23  THR   7          HG23      THR   7  -3.604  10.575 -15.186
   69    H    LEU   8           H        LEU   8  -5.284  10.234 -18.684
   70    HA   LEU   8           HA       LEU   8  -4.872   9.373 -21.400
   71    HB2  LEU   8           HB2      LEU   8  -6.837  11.429 -20.365
   72    HB3  LEU   8           HB3      LEU   8  -6.665  10.901 -22.050
   73    HG   LEU   8           HG       LEU   8  -7.866   9.436 -19.793
   74   HD11  LEU   8          HD11      LEU   8  -8.704   9.895 -22.616
   75   HD12  LEU   8          HD12      LEU   8  -9.584   8.896 -21.426
   76   HD13  LEU   8          HD13      LEU   8  -9.380  10.605 -21.118
   77   HD21  LEU   8          HD21      LEU   8  -6.738   8.142 -22.306
   78   HD22  LEU   8          HD22      LEU   8  -6.247   7.777 -20.612
   79   HD23  LEU   8          HD23      LEU   8  -7.836   7.335 -21.180
   80    H    THR   9           H        THR   9  -3.504  12.208 -19.812
   81    HA   THR   9           HA       THR   9  -3.315  13.658 -22.310
   82    HB   THR   9           HB       THR   9  -3.458  14.992 -20.456
   83    HG1  THR   9           HG1      THR   9  -1.889  16.357 -20.785
   84   HG21  THR   9          HG21      THR   9  -1.077  13.622 -19.231
   85   HG22  THR   9          HG22      THR   9  -1.732  15.186 -18.675
   86   HG23  THR   9          HG23      THR   9  -2.756  13.761 -18.592
   87    H    GLY  10           H        GLY  10  -1.771  10.916 -20.974
   88    HA2  GLY  10           HA2      GLY  10   0.032   9.720 -21.804
   89    HA3  GLY  10           HA3      GLY  10   0.521  11.112 -22.802
   90    H    LYS  11           H        LYS  11  -0.206  11.129 -19.235
   91    HA   LYS  11           HA       LYS  11   2.741  11.530 -18.782
   92    HB2  LYS  11           HB2      LYS  11   1.589  13.593 -18.275
   93    HB3  LYS  11           HB3      LYS  11   0.396  12.766 -17.276
   94    HG2  LYS  11           HG2      LYS  11   3.274  12.330 -16.582
   95    HG3  LYS  11           HG3      LYS  11   2.615  13.945 -16.297
   96    HD2  LYS  11           HD2      LYS  11   1.521  11.368 -15.118
   97    HD3  LYS  11           HD3      LYS  11   2.630  12.452 -14.298
   98    HE2  LYS  11           HE2      LYS  11  -0.193  13.176 -15.234
   99    HE3  LYS  11           HE3      LYS  11   0.253  12.712 -13.601
  100    HZ1  LYS  11           HZ1      LYS  11   1.163  15.183 -14.986
  101    HZ2  LYS  11           HZ2      LYS  11   0.094  15.038 -13.752
  102    HZ3  LYS  11           HZ3      LYS  11   1.681  14.711 -13.490
  103    H    THR  12           H        THR  12   3.519   9.615 -17.952
  104    HA   THR  12           HA       THR  12   1.655   7.945 -16.410
  105    HB   THR  12           HB       THR  12   4.516   7.213 -16.532
  106    HG1  THR  12           HG1      THR  12   4.504   6.728 -18.729
  107   HG21  THR  12          HG21      THR  12   2.493   5.846 -15.756
  108   HG22  THR  12          HG22      THR  12   1.999   5.751 -17.480
  109   HG23  THR  12          HG23      THR  12   3.531   5.033 -16.972
  110    H    ILE  13           H        ILE  13   1.213   8.257 -14.441
  111    HA   ILE  13           HA       ILE  13   3.268   9.503 -12.693
  112    HB   ILE  13           HB       ILE  13   1.632  10.891 -12.431
  113   HG12  ILE  13          HG12      ILE  13   1.870   9.271 -10.219
  114   HG13  ILE  13          HG13      ILE  13   1.056  10.811 -10.287
  115   HG21  ILE  13          HG21      ILE  13  -0.076  10.177 -13.924
  116   HG22  ILE  13          HG22      ILE  13  -0.568   8.875 -12.820
  117   HG23  ILE  13          HG23      ILE  13  -0.797  10.603 -12.352
  118   HD11  ILE  13          HD11      ILE  13  -1.087   9.884 -10.236
  119   HD12  ILE  13          HD12      ILE  13  -0.453   8.248 -10.723
  120   HD13  ILE  13          HD13      ILE  13  -0.129   8.881  -9.119
  121    H    THR  14           H        THR  14   4.414   8.114 -11.642
  122    HA   THR  14           HA       THR  14   3.469   5.415 -11.166
  123    HB   THR  14           HB       THR  14   5.905   6.842 -10.122
  124    HG1  THR  14           HG1      THR  14   6.976   6.193 -11.958
  125   HG21  THR  14          HG21      THR  14   5.165   3.851 -10.401
  126   HG22  THR  14          HG22      THR  14   6.846   4.393 -10.173
  127   HG23  THR  14          HG23      THR  14   5.627   4.730  -8.935
  128    H    LEU  15           H        LEU  15   2.783   4.670  -9.085
  129    HA   LEU  15           HA       LEU  15   3.073   6.498  -6.810
  130    HB2  LEU  15           HB2      LEU  15   0.803   6.379  -6.136
  131    HB3  LEU  15           HB3      LEU  15   0.871   7.088  -7.764
  132    HG   LEU  15           HG       LEU  15   0.288   4.148  -7.668
  133   HD11  LEU  15          HD11      LEU  15  -1.780   6.242  -6.905
  134   HD12  LEU  15          HD12      LEU  15  -2.035   4.490  -7.077
  135   HD13  LEU  15          HD13      LEU  15  -1.032   5.093  -5.756
  136   HD21  LEU  15          HD21      LEU  15   0.356   5.329  -9.767
  137   HD22  LEU  15          HD22      LEU  15  -1.282   4.751  -9.317
  138   HD23  LEU  15          HD23      LEU  15  -0.880   6.477  -9.183
  139    H    GLU  16           H        GLU  16   2.644   5.440  -4.756
  140    HA   GLU  16           HA       GLU  16   3.383   2.598  -5.025
  141    HB2  GLU  16           HB2      GLU  16   3.956   4.670  -2.894
  142    HB3  GLU  16           HB3      GLU  16   4.069   2.933  -2.545
  143    HG2  GLU  16           HG2      GLU  16   5.602   2.621  -4.442
  144    HG3  GLU  16           HG3      GLU  16   5.563   4.350  -4.792
  145    H    VAL  17           H        VAL  17   2.229   1.099  -4.253
  146    HA   VAL  17           HA       VAL  17  -0.346   1.533  -2.825
  147    HB   VAL  17           HB       VAL  17  -1.562   0.376  -4.624
  148   HG11  VAL  17          HG11      VAL  17  -1.609   2.062  -6.338
  149   HG12  VAL  17          HG12      VAL  17  -1.437   2.840  -4.748
  150   HG13  VAL  17          HG13      VAL  17  -0.034   2.696  -5.843
  151   HG21  VAL  17          HG21      VAL  17   1.069   0.425  -6.193
  152   HG22  VAL  17          HG22      VAL  17   0.243  -1.024  -5.563
  153   HG23  VAL  17          HG23      VAL  17  -0.507  -0.070  -6.818
  154    H    GLU  18           H        GLU  18  -1.410  -0.915  -3.162
  155    HA   GLU  18           HA       GLU  18   0.585  -3.008  -2.546
  156    HB2  GLU  18           HB2      GLU  18  -2.081  -2.688  -1.089
  157    HB3  GLU  18           HB3      GLU  18  -0.880  -3.966  -0.851
  158    HG2  GLU  18           HG2      GLU  18   0.735  -2.157  -0.087
  159    HG3  GLU  18           HG3      GLU  18  -0.615  -1.017  -0.174
  160    HA   PRO  19           HA       PRO  19  -2.088  -4.932  -5.679
  161    HB2  PRO  19           HB2      PRO  19  -2.098  -7.422  -4.045
  162    HB3  PRO  19           HB3      PRO  19  -1.659  -7.180  -5.773
  163    HG2  PRO  19           HG2      PRO  19   0.201  -7.614  -3.795
  164    HG3  PRO  19           HG3      PRO  19   0.514  -6.608  -5.232
  165    HD2  PRO  19           HD2      PRO  19  -0.100  -5.747  -2.420
  166    HD3  PRO  19           HD3      PRO  19   0.934  -4.963  -3.649
  167    H    SER  20           H        SER  20  -2.871  -5.064  -2.219
  168    HA   SER  20           HA       SER  20  -5.738  -5.639  -2.760
  169    HB2  SER  20           HB2      SER  20  -4.251  -5.442  -0.102
  170    HB3  SER  20           HB3      SER  20  -5.885  -6.088  -0.376
  171    HG   SER  20           HG       SER  20  -4.291  -7.754  -0.172
  172    H    ASP  21           H        ASP  21  -3.925  -3.003  -3.097
  173    HA   ASP  21           HA       ASP  21  -5.422  -1.270  -1.384
  174    HB2  ASP  21           HB2      ASP  21  -3.111  -0.753  -2.305
  175    HB3  ASP  21           HB3      ASP  21  -3.904  -0.435  -3.867
  176    H    THR  22           H        THR  22  -7.284  -0.193  -1.936
  177    HA   THR  22           HA       THR  22  -8.800  -1.334  -4.105
  178    HB   THR  22           HB       THR  22 -10.569   0.345  -3.372
  179    HG1  THR  22           HG1      THR  22 -10.185   1.123  -1.173
  180   HG21  THR  22          HG21      THR  22  -9.582  -1.761  -1.432
  181   HG22  THR  22          HG22      THR  22 -11.205  -1.010  -1.428
  182   HG23  THR  22          HG23      THR  22 -10.689  -1.967  -2.828
  183    H    ILE  23           H        ILE  23  -9.562  -0.403  -5.870
  184    HA   ILE  23           HA       ILE  23  -8.271   1.626  -7.280
  185    HB   ILE  23           HB       ILE  23 -11.219   1.001  -7.249
  186   HG12  ILE  23          HG12      ILE  23 -10.460  -1.055  -7.816
  187   HG13  ILE  23          HG13      ILE  23 -10.464  -0.302  -9.412
  188   HG21  ILE  23          HG21      ILE  23 -10.770   3.093  -8.468
  189   HG22  ILE  23          HG22      ILE  23  -9.563   2.242  -9.454
  190   HG23  ILE  23          HG23      ILE  23 -11.289   1.820  -9.576
  191   HD11  ILE  23          HD11      ILE  23  -8.055  -0.850  -7.666
  192   HD12  ILE  23          HD12      ILE  23  -8.497  -1.630  -9.184
  193   HD13  ILE  23          HD13      ILE  23  -8.001   0.080  -9.183
  194    H    GLU  24           H        GLU  24 -10.995   2.133  -4.886
  195    HA   GLU  24           HA       GLU  24 -11.261   4.883  -5.327
  196    HB2  GLU  24           HB2      GLU  24 -12.669   3.382  -3.811
  197    HB3  GLU  24           HB3      GLU  24 -11.398   3.480  -2.608
  198    HG2  GLU  24           HG2      GLU  24 -11.676   5.958  -2.529
  199    HG3  GLU  24           HG3      GLU  24 -12.924   5.863  -3.769
  200    H    ASN  25           H        ASN  25  -8.937   3.195  -3.200
  201    HA   ASN  25           HA       ASN  25  -7.940   5.718  -2.113
  202    HB2  ASN  25           HB2      ASN  25  -7.984   3.575  -0.814
  203    HB3  ASN  25           HB3      ASN  25  -6.801   2.915  -1.944
  204   HD21  ASN  25          HD22      ASN  25  -5.067   2.691  -0.592
  205   HD22  ASN  25          HD21      ASN  25  -4.345   3.986   0.384
  206    H    VAL  26           H        VAL  26  -6.995   3.447  -4.678
  207    HA   VAL  26           HA       VAL  26  -4.514   4.651  -5.402
  208    HB   VAL  26           HB       VAL  26  -6.669   3.086  -6.816
  209   HG11  VAL  26          HG11      VAL  26  -5.074   2.692  -8.679
  210   HG12  VAL  26          HG12      VAL  26  -5.658   4.375  -8.557
  211   HG13  VAL  26          HG13      VAL  26  -4.017   3.961  -8.007
  212   HG21  VAL  26          HG21      VAL  26  -3.856   2.203  -6.112
  213   HG22  VAL  26          HG22      VAL  26  -5.248   1.952  -5.058
  214   HG23  VAL  26          HG23      VAL  26  -5.235   1.200  -6.639
  215    H    LYS  27           H        LYS  27  -7.893   5.263  -6.704
  216    HA   LYS  27           HA       LYS  27  -7.146   7.474  -8.256
  217    HB2  LYS  27           HB2      LYS  27  -9.741   6.999  -6.674
  218    HB3  LYS  27           HB3      LYS  27  -9.533   8.301  -7.839
  219    HG2  LYS  27           HG2      LYS  27  -9.273   6.546  -9.648
  220    HG3  LYS  27           HG3      LYS  27  -9.735   5.339  -8.433
  221    HD2  LYS  27           HD2      LYS  27 -11.728   6.960  -7.923
  222    HD3  LYS  27           HD3      LYS  27 -11.314   7.722  -9.468
  223    HE2  LYS  27           HE2      LYS  27 -11.794   5.641 -10.646
  224    HE3  LYS  27           HE3      LYS  27 -12.086   4.816  -9.101
  225    HZ1  LYS  27           HZ1      LYS  27 -14.170   5.672 -10.235
  226    HZ2  LYS  27           HZ2      LYS  27 -13.997   6.152  -8.694
  227    HZ3  LYS  27           HZ3      LYS  27 -13.664   7.216  -9.927
  228    H    ALA  28           H        ALA  28  -7.820   7.367  -4.707
  229    HA   ALA  28           HA       ALA  28  -7.827  10.220  -4.380
  230    HB1  ALA  28           HB1      ALA  28  -7.058   8.085  -2.348
  231    HB2  ALA  28           HB2      ALA  28  -7.520   9.764  -2.018
  232    HB3  ALA  28           HB3      ALA  28  -8.718   8.634  -2.697
  233    H    LYS  29           H        LYS  29  -5.175   7.785  -4.473
  234    HA   LYS  29           HA       LYS  29  -3.103   9.729  -3.807
  235    HB2  LYS  29           HB2      LYS  29  -3.055   7.089  -5.271
  236    HB3  LYS  29           HB3      LYS  29  -1.600   8.040  -4.901
  237    HG2  LYS  29           HG2      LYS  29  -1.999   7.881  -2.526
  238    HG3  LYS  29           HG3      LYS  29  -3.587   7.143  -2.774
  239    HD2  LYS  29           HD2      LYS  29  -2.588   5.160  -3.762
  240    HD3  LYS  29           HD3      LYS  29  -0.956   5.858  -3.631
  241    HE2  LYS  29           HE2      LYS  29  -2.528   5.859  -1.103
  242    HE3  LYS  29           HE3      LYS  29  -2.242   4.234  -1.744
  243    HZ1  LYS  29           HZ1      LYS  29  -0.446   4.876  -0.265
  244    HZ2  LYS  29           HZ2      LYS  29   0.157   4.727  -1.785
  245    HZ3  LYS  29           HZ3      LYS  29  -0.107   6.218  -1.123
  246    H    ILE  30           H        ILE  30  -4.760   8.702  -6.830
  247    HA   ILE  30           HA       ILE  30  -3.101  10.376  -8.488
  248    HB   ILE  30           HB       ILE  30  -6.015   9.855  -9.063
  249   HG12  ILE  30          HG12      ILE  30  -5.230   7.675  -8.763
  250   HG13  ILE  30          HG13      ILE  30  -5.276   7.947 -10.485
  251   HG21  ILE  30          HG21      ILE  30  -5.281  11.412 -10.614
  252   HG22  ILE  30          HG22      ILE  30  -3.592  10.835 -10.582
  253   HG23  ILE  30          HG23      ILE  30  -4.817   9.935 -11.463
  254   HD11  ILE  30          HD11      ILE  30  -2.789   8.120  -8.740
  255   HD12  ILE  30          HD12      ILE  30  -3.368   6.693  -9.610
  256   HD13  ILE  30          HD13      ILE  30  -2.858   8.151 -10.528
  257    H    GLN  31           H        GLN  31  -6.037  11.139  -6.632
  258    HA   GLN  31           HA       GLN  31  -6.283  13.828  -7.433
  259    HB2  GLN  31           HB2      GLN  31  -7.915  12.577  -6.021
  260    HB3  GLN  31           HB3      GLN  31  -6.793  12.769  -4.661
  261    HG2  GLN  31           HG2      GLN  31  -7.118  15.399  -5.462
  262    HG3  GLN  31           HG3      GLN  31  -8.698  14.729  -5.826
  263   HE21  GLN  31          HE22      GLN  31 -10.009  13.866  -4.011
  264   HE22  GLN  31          HE21      GLN  31  -9.571  14.234  -2.365
  265    H    ASP  32           H        ASP  32  -4.108  12.335  -5.031
  266    HA   ASP  32           HA       ASP  32  -2.938  14.776  -4.092
  267    HB2  ASP  32           HB2      ASP  32  -2.554  12.916  -2.740
  268    HB3  ASP  32           HB3      ASP  32  -2.064  11.898  -4.060
  269    H    LYS  33           H        LYS  33  -2.293  12.733  -6.986
  270    HA   LYS  33           HA       LYS  33   0.127  14.254  -7.609
  271    HB2  LYS  33           HB2      LYS  33  -1.358  11.975  -8.947
  272    HB3  LYS  33           HB3      LYS  33   0.203  12.598  -9.464
  273    HG2  LYS  33           HG2      LYS  33  -0.189  11.704  -6.567
  274    HG3  LYS  33           HG3      LYS  33   0.054  10.526  -7.808
  275    HD2  LYS  33           HD2      LYS  33   2.179  11.676  -8.524
  276    HD3  LYS  33           HD3      LYS  33   1.998  12.796  -7.163
  277    HE2  LYS  33           HE2      LYS  33   1.855   9.795  -6.774
  278    HE3  LYS  33           HE3      LYS  33   3.430  10.556  -6.989
  279    HZ1  LYS  33           HZ1      LYS  33   3.106  11.881  -5.042
  280    HZ2  LYS  33           HZ2      LYS  33   1.537  11.491  -4.857
  281    HZ3  LYS  33           HZ3      LYS  33   2.714  10.366  -4.591
  282    H    GLU  34           H        GLU  34  -3.103  13.984  -8.857
  283    HA   GLU  34           HA       GLU  34  -2.535  15.663 -11.193
  284    HB2  GLU  34           HB2      GLU  34  -4.590  13.521 -10.514
  285    HB3  GLU  34           HB3      GLU  34  -4.853  14.615 -11.864
  286    HG2  GLU  34           HG2      GLU  34  -2.399  12.862 -11.542
  287    HG3  GLU  34           HG3      GLU  34  -3.822  12.447 -12.506
  288    H    GLY  35           H        GLY  35  -4.677  15.359  -8.388
  289    HA2  GLY  35           HA2      GLY  35  -5.599  17.166  -7.249
  290    HA3  GLY  35           HA3      GLY  35  -5.552  18.157  -8.711
  291    H    ILE  36           H        ILE  36  -6.824  14.891  -9.136
  292    HA   ILE  36           HA       ILE  36  -9.455  16.160  -9.673
  293    HB   ILE  36           HB       ILE  36  -8.211  13.571 -10.640
  294   HG12  ILE  36          HG12      ILE  36  -8.579  16.199 -12.193
  295   HG13  ILE  36          HG13      ILE  36  -7.043  15.715 -11.469
  296   HG21  ILE  36          HG21      ILE  36 -10.775  13.698 -10.623
  297   HG22  ILE  36          HG22      ILE  36 -10.646  15.091 -11.707
  298   HG23  ILE  36          HG23      ILE  36 -10.078  13.477 -12.220
  299   HD11  ILE  36          HD11      ILE  36  -8.540  14.189 -13.603
  300   HD12  ILE  36          HD12      ILE  36  -6.994  15.059 -13.750
  301   HD13  ILE  36          HD13      ILE  36  -7.092  13.606 -12.725
  302    HA   PRO  37           HA       PRO  37 -10.732  13.672  -6.137
  303    HB2  PRO  37           HB2      PRO  37 -13.525  14.005  -6.492
  304    HB3  PRO  37           HB3      PRO  37 -12.411  15.024  -5.522
  305    HG2  PRO  37           HG2      PRO  37 -13.678  15.620  -8.119
  306    HG3  PRO  37           HG3      PRO  37 -12.890  16.717  -6.953
  307    HD2  PRO  37           HD2      PRO  37 -11.789  15.690  -9.425
  308    HD3  PRO  37           HD3      PRO  37 -10.988  16.716  -8.204
  309    HA   PRO  38           HA       PRO  38 -11.328   9.798  -7.953
  310    HB2  PRO  38           HB2      PRO  38 -12.726   8.336  -6.097
  311    HB3  PRO  38           HB3      PRO  38 -10.981   8.743  -5.955
  312    HG2  PRO  38           HG2      PRO  38 -13.320  10.110  -4.631
  313    HG3  PRO  38           HG3      PRO  38 -11.737   9.679  -3.918
  314    HD2  PRO  38           HD2      PRO  38 -12.273  12.192  -4.789
  315    HD3  PRO  38           HD3      PRO  38 -10.652  11.462  -5.036
  316    H    ASP  39           H        ASP  39 -14.369  11.151  -6.655
  317    HA   ASP  39           HA       ASP  39 -15.939   9.288  -8.201
  318    HB2  ASP  39           HB2      ASP  39 -16.810  10.442  -6.186
  319    HB3  ASP  39           HB3      ASP  39 -16.672  12.007  -7.010
  320    H    GLN  40           H        GLN  40 -14.202  12.119  -8.959
  321    HA   GLN  40           HA       GLN  40 -15.729  12.681 -11.441
  322    HB2  GLN  40           HB2      GLN  40 -15.082  14.428  -9.765
  323    HB3  GLN  40           HB3      GLN  40 -13.383  14.114 -10.090
  324    HG2  GLN  40           HG2      GLN  40 -13.501  15.010 -12.271
  325    HG3  GLN  40           HG3      GLN  40 -15.263  14.906 -12.331
  326   HE21  GLN  40          HE21      GLN  40 -16.467  16.284 -10.678
  327   HE22  GLN  40          HE22      GLN  40 -15.824  17.894 -10.360
  328    H    GLN  41           H        GLN  41 -13.292  10.569 -10.562
  329    HA   GLN  41           HA       GLN  41 -11.672  10.825 -13.052
  330    HB2  GLN  41           HB2      GLN  41 -10.822  11.493 -10.751
  331    HB3  GLN  41           HB3      GLN  41 -11.155   9.878 -10.195
  332    HG2  GLN  41           HG2      GLN  41  -9.453   9.157 -12.047
  333    HG3  GLN  41           HG3      GLN  41  -8.966  10.871 -12.017
  334   HE21  GLN  41          HE22      GLN  41  -8.982  11.597  -9.243
  335   HE22  GLN  41          HE21      GLN  41  -8.042  10.432  -8.355
  336    H    ARG  42           H        ARG  42 -11.378   8.773 -14.207
  337    HA   ARG  42           HA       ARG  42 -12.630   6.398 -12.886
  338    HB2  ARG  42           HB2      ARG  42 -13.254   7.485 -15.483
  339    HB3  ARG  42           HB3      ARG  42 -12.392   5.930 -15.707
  340    HG2  ARG  42           HG2      ARG  42 -13.992   4.682 -14.847
  341    HG3  ARG  42           HG3      ARG  42 -14.554   5.933 -13.684
  342    HD2  ARG  42           HD2      ARG  42 -15.614   7.123 -15.653
  343    HD3  ARG  42           HD3      ARG  42 -15.192   5.721 -16.643
  344    HE   ARG  42           HE       ARG  42 -16.604   4.945 -14.228
  345   HH11  ARG  42          HH11      ARG  42 -17.208   6.190 -17.499
  346   HH12  ARG  42          HH12      ARG  42 -18.902   5.755 -17.488
  347   HH21  ARG  42          HH21      ARG  42 -18.816   4.280 -14.282
  348   HH22  ARG  42          HH22      ARG  42 -19.779   4.606 -15.678
  349    H    LEU  43           H        LEU  43 -11.612   4.345 -13.477
  350    HA   LEU  43           HA       LEU  43  -8.743   4.667 -14.167
  351    HB2  LEU  43           HB2      LEU  43  -9.750   4.072 -11.574
  352    HB3  LEU  43           HB3      LEU  43  -9.384   2.493 -12.256
  353    HG   LEU  43           HG       LEU  43  -7.086   3.209 -12.731
  354   HD11  LEU  43          HD11      LEU  43  -8.036   5.898 -11.581
  355   HD12  LEU  43          HD12      LEU  43  -6.322   5.437 -11.609
  356   HD13  LEU  43          HD13      LEU  43  -7.207   5.612 -13.119
  357   HD21  LEU  43          HD21      LEU  43  -7.648   2.219 -10.509
  358   HD22  LEU  43          HD22      LEU  43  -6.332   3.393 -10.414
  359   HD23  LEU  43          HD23      LEU  43  -7.940   3.869  -9.859
  360    H    ILE  44           H        ILE  44  -8.187   3.436 -15.704
  361    HA   ILE  44           HA       ILE  44  -9.807   1.039 -16.472
  362    HB   ILE  44           HB       ILE  44  -8.422   3.106 -18.278
  363   HG12  ILE  44          HG12      ILE  44 -11.319   2.546 -17.502
  364   HG13  ILE  44          HG13      ILE  44 -10.393   4.017 -17.225
  365   HG21  ILE  44          HG21      ILE  44 -10.105   0.730 -19.184
  366   HG22  ILE  44          HG22      ILE  44  -9.344   1.972 -20.201
  367   HG23  ILE  44          HG23      ILE  44  -8.316   0.851 -19.339
  368   HD11  ILE  44          HD11      ILE  44 -11.583   3.087 -19.811
  369   HD12  ILE  44          HD12      ILE  44 -11.912   4.534 -18.801
  370   HD13  ILE  44          HD13      ILE  44 -10.377   4.403 -19.695
  371    H    PHE  45           H        PHE  45  -8.629  -0.762 -17.220
  372    HA   PHE  45           HA       PHE  45  -5.662  -0.609 -17.120
  373    HB2  PHE  45           HB2      PHE  45  -6.278  -1.392 -14.881
  374    HB3  PHE  45           HB3      PHE  45  -7.429  -2.538 -15.568
  375    HD1  PHE  45           HD1      PHE  45  -3.815  -1.740 -16.186
  376    HD2  PHE  45           HD2      PHE  45  -6.798  -4.756 -15.476
  377    HE1  PHE  45           HE1      PHE  45  -2.054  -3.480 -16.229
  378    HE2  PHE  45           HE2      PHE  45  -5.038  -6.500 -15.421
  379    HZ   PHE  45           HZ       PHE  45  -2.668  -5.868 -15.743
  380    H    ALA  46           H        ALA  46  -5.097  -1.380 -19.094
  381    HA   ALA  46           HA       ALA  46  -5.153  -2.496 -21.040
  382    HB1  ALA  46           HB1      ALA  46  -4.375  -4.155 -19.306
  383    HB2  ALA  46           HB2      ALA  46  -6.055  -4.733 -19.164
  384    HB3  ALA  46           HB3      ALA  46  -5.162  -4.961 -20.685
  385    H    GLY  47           H        GLY  47  -7.576  -1.181 -20.691
  386    HA2  GLY  47           HA2      GLY  47  -9.327  -0.939 -22.231
  387    HA3  GLY  47           HA3      GLY  47  -9.265  -2.648 -22.635
  388    H    LYS  48           H        LYS  48  -9.234  -2.477 -19.268
  389    HA   LYS  48           HA       LYS  48 -12.137  -3.040 -19.080
  390    HB2  LYS  48           HB2      LYS  48 -10.352  -4.848 -18.705
  391    HB3  LYS  48           HB3      LYS  48  -9.752  -3.891 -17.357
  392    HG2  LYS  48           HG2      LYS  48 -11.044  -5.556 -16.410
  393    HG3  LYS  48           HG3      LYS  48 -11.954  -4.055 -16.250
  394    HD2  LYS  48           HD2      LYS  48 -13.465  -5.867 -16.811
  395    HD3  LYS  48           HD3      LYS  48 -13.392  -4.760 -18.192
  396    HE2  LYS  48           HE2      LYS  48 -11.798  -6.284 -19.337
  397    HE3  LYS  48           HE3      LYS  48 -11.800  -7.363 -17.936
  398    HZ1  LYS  48           HZ1      LYS  48 -13.283  -8.161 -19.661
  399    HZ2  LYS  48           HZ2      LYS  48 -14.168  -7.775 -18.344
  400    HZ3  LYS  48           HZ3      LYS  48 -14.156  -6.782 -19.649
  401    H    GLN  49           H        GLN  49 -13.207  -1.370 -18.076
  402    HA   GLN  49           HA       GLN  49 -11.911   0.689 -16.473
  403    HB2  GLN  49           HB2      GLN  49 -14.018   0.935 -17.831
  404    HB3  GLN  49           HB3      GLN  49 -14.828  -0.190 -16.727
  405    HG2  GLN  49           HG2      GLN  49 -14.541   1.394 -14.865
  406    HG3  GLN  49           HG3      GLN  49 -13.656   2.498 -15.941
  407   HE21  GLN  49          HE22      GLN  49 -16.889   1.088 -15.217
  408   HE22  GLN  49          HE21      GLN  49 -17.778   2.201 -16.231
  409    H    LEU  50           H        LEU  50 -11.895   0.835 -14.249
  410    HA   LEU  50           HA       LEU  50 -12.586  -1.638 -12.687
  411    HB2  LEU  50           HB2      LEU  50 -10.727   0.480 -11.648
  412    HB3  LEU  50           HB3      LEU  50 -10.783  -1.247 -11.305
  413    HG   LEU  50           HG       LEU  50  -9.651   0.079 -13.776
  414   HD11  LEU  50          HD11      LEU  50  -7.487  -0.657 -12.999
  415   HD12  LEU  50          HD12      LEU  50  -8.272   0.312 -11.737
  416   HD13  LEU  50          HD13      LEU  50  -8.215  -1.458 -11.588
  417   HD21  LEU  50          HD21      LEU  50  -9.304  -1.902 -14.810
  418   HD22  LEU  50          HD22      LEU  50  -9.086  -2.814 -13.304
  419   HD23  LEU  50          HD23      LEU  50 -10.704  -2.427 -13.906
  420    H    GLU  51           H        GLU  51 -13.393  -1.179 -10.425
  421    HA   GLU  51           HA       GLU  51 -14.736   1.450 -10.284
  422    HB2  GLU  51           HB2      GLU  51 -16.762   0.660  -9.611
  423    HB3  GLU  51           HB3      GLU  51 -16.320  -0.464 -10.891
  424    HG2  GLU  51           HG2      GLU  51 -15.511  -2.040  -9.105
  425    HG3  GLU  51           HG3      GLU  51 -16.169  -0.962  -7.885
  426    H    ASP  52           H        ASP  52 -15.250   2.155  -8.129
  427    HA   ASP  52           HA       ASP  52 -12.820   2.517  -6.812
  428    HB2  ASP  52           HB2      ASP  52 -15.705   3.114  -6.121
  429    HB3  ASP  52           HB3      ASP  52 -14.420   3.517  -5.001
  430    H    GLY  53           H        GLY  53 -15.465   0.298  -6.023
  431    HA2  GLY  53           HA2      GLY  53 -14.465  -0.402  -3.431
  432    HA3  GLY  53           HA3      GLY  53 -15.768  -1.187  -4.346
  433    H    ARG  54           H        ARG  54 -13.121  -1.288  -6.422
  434    HA   ARG  54           HA       ARG  54 -12.550  -4.123  -5.637
  435    HB2  ARG  54           HB2      ARG  54 -12.599  -2.585  -8.242
  436    HB3  ARG  54           HB3      ARG  54 -11.868  -4.222  -8.064
  437    HG2  ARG  54           HG2      ARG  54 -14.057  -5.084  -7.216
  438    HG3  ARG  54           HG3      ARG  54 -14.766  -3.474  -7.442
  439    HD2  ARG  54           HD2      ARG  54 -14.303  -3.599  -9.841
  440    HD3  ARG  54           HD3      ARG  54 -13.662  -5.221  -9.673
  441    HE   ARG  54           HE       ARG  54 -16.467  -4.314  -9.526
  442   HH11  ARG  54          HH11      ARG  54 -14.255  -7.084  -9.018
  443   HH12  ARG  54          HH12      ARG  54 -15.530  -8.262  -9.096
  444   HH21  ARG  54          HH21      ARG  54 -18.100  -5.833  -9.617
  445   HH22  ARG  54          HH22      ARG  54 -17.793  -7.527  -9.428
  446    H    THR  55           H        THR  55 -10.238  -4.755  -6.575
  447    HA   THR  55           HA       THR  55  -8.327  -2.664  -5.622
  448    HB   THR  55           HB       THR  55  -7.118  -4.500  -4.573
  449    HG1  THR  55           HG1      THR  55  -8.340  -6.541  -4.271
  450   HG21  THR  55          HG21      THR  55  -8.495  -3.252  -3.102
  451   HG22  THR  55          HG22      THR  55  -9.936  -4.237  -3.479
  452   HG23  THR  55          HG23      THR  55  -8.553  -4.942  -2.614
  453    H    LEU  56           H        LEU  56  -6.100  -3.301  -6.118
  454    HA   LEU  56           HA       LEU  56  -5.872  -3.621  -8.972
  455    HB2  LEU  56           HB2      LEU  56  -3.685  -3.953  -6.866
  456    HB3  LEU  56           HB3      LEU  56  -3.444  -3.610  -8.562
  457    HG   LEU  56           HG       LEU  56  -4.701  -1.798  -6.466
  458   HD11  LEU  56          HD11      LEU  56  -2.821  -0.324  -7.001
  459   HD12  LEU  56          HD12      LEU  56  -2.270  -1.900  -6.418
  460   HD13  LEU  56          HD13      LEU  56  -2.184  -1.525  -8.163
  461   HD21  LEU  56          HD21      LEU  56  -4.405  -1.382  -9.495
  462   HD22  LEU  56          HD22      LEU  56  -5.922  -1.399  -8.553
  463   HD23  LEU  56          HD23      LEU  56  -4.766  -0.076  -8.362
  464    H    SER  57           H        SER  57  -5.284  -5.915  -6.300
  465    HA   SER  57           HA       SER  57  -4.689  -8.190  -7.845
  466    HB2  SER  57           HB2      SER  57  -5.848  -7.697  -5.096
  467    HB3  SER  57           HB3      SER  57  -5.782  -9.351  -5.760
  468    HG   SER  57           HG       SER  57  -3.889  -8.995  -4.652
  469    H    ASP  58           H        ASP  58  -7.925  -6.633  -7.238
  470    HA   ASP  58           HA       ASP  58  -9.376  -9.013  -7.930
  471    HB2  ASP  58           HB2      ASP  58 -10.237  -7.048  -6.637
  472    HB3  ASP  58           HB3      ASP  58 -10.271  -6.134  -8.149
  473    H    TYR  59           H        TYR  59  -7.569  -6.689  -9.678
  474    HA   TYR  59           HA       TYR  59  -8.577  -7.637 -12.314
  475    HB2  TYR  59           HB2      TYR  59  -7.316  -5.047 -11.427
  476    HB3  TYR  59           HB3      TYR  59  -7.518  -5.485 -13.127
  477    HD1  TYR  59           HD2      TYR  59  -9.835  -6.045 -13.986
  478    HD2  TYR  59           HD1      TYR  59  -9.180  -4.074 -10.180
  479    HE1  TYR  59           HE2      TYR  59 -12.197  -5.312 -13.954
  480    HE2  TYR  59           HE1      TYR  59 -11.524  -3.431 -10.101
  481    HH   TYR  59           HH       TYR  59 -13.837  -4.143 -12.822
  482    H    ASN  60           H        ASN  60  -6.329  -8.514 -10.207
  483    HA   ASN  60           HA       ASN  60  -4.436  -9.654 -10.232
  484    HB2  ASN  60           HB2      ASN  60  -5.126 -10.208 -13.134
  485    HB3  ASN  60           HB3      ASN  60  -3.825 -10.991 -12.264
  486   HD21  ASN  60          HD22      ASN  60  -7.242 -11.097 -12.837
  487   HD22  ASN  60          HD21      ASN  60  -7.609 -12.330 -11.656
  488    H    ILE  61           H        ILE  61  -4.402  -6.750 -10.943
  489    HA   ILE  61           HA       ILE  61  -1.967  -6.194 -12.419
  490    HB   ILE  61           HB       ILE  61  -3.655  -4.781 -10.338
  491   HG12  ILE  61          HG12      ILE  61  -3.427  -3.921 -13.222
  492   HG13  ILE  61          HG13      ILE  61  -4.535  -5.221 -12.776
  493   HG21  ILE  61          HG21      ILE  61  -2.486  -2.648 -10.923
  494   HG22  ILE  61          HG22      ILE  61  -1.393  -3.807 -10.181
  495   HG23  ILE  61          HG23      ILE  61  -1.372  -3.564 -11.949
  496   HD11  ILE  61          HD11      ILE  61  -5.647  -3.764 -11.149
  497   HD12  ILE  61          HD12      ILE  61  -4.583  -2.440 -11.587
  498   HD13  ILE  61          HD13      ILE  61  -5.704  -3.108 -12.801
  499    H    GLN  62           H        GLN  62   0.101  -5.897 -11.490
  500    HA   GLN  62           HA       GLN  62   0.506  -6.691  -8.649
  501    HB2  GLN  62           HB2      GLN  62   2.254  -7.473 -11.040
  502    HB3  GLN  62           HB3      GLN  62   2.506  -7.930  -9.353
  503    HG2  GLN  62           HG2      GLN  62   0.341  -9.193  -9.399
  504    HG3  GLN  62           HG3      GLN  62   0.181  -8.793 -11.113
  505   HE21  GLN  62          HE22      GLN  62   0.941 -10.363 -12.515
  506   HE22  GLN  62          HE21      GLN  62   2.172 -11.544 -12.120
  507    H    LYS  63           H        LYS  63   3.185  -6.104  -8.446
  508    HA   LYS  63           HA       LYS  63   3.443  -3.295  -8.540
  509    HB2  LYS  63           HB2      LYS  63   5.716  -3.722  -7.891
  510    HB3  LYS  63           HB3      LYS  63   4.729  -4.999  -7.125
  511    HG2  LYS  63           HG2      LYS  63   5.413  -6.481  -9.095
  512    HG3  LYS  63           HG3      LYS  63   6.574  -5.196  -9.509
  513    HD2  LYS  63           HD2      LYS  63   7.479  -5.374  -7.124
  514    HD3  LYS  63           HD3      LYS  63   6.446  -6.814  -6.917
  515    HE2  LYS  63           HE2      LYS  63   7.601  -7.844  -8.907
  516    HE3  LYS  63           HE3      LYS  63   8.638  -6.408  -9.005
  517    HZ1  LYS  63           HZ1      LYS  63   8.551  -8.285  -6.701
  518    HZ2  LYS  63           HZ2      LYS  63   9.730  -8.216  -7.824
  519    HZ3  LYS  63           HZ3      LYS  63   9.509  -6.958  -6.810
  520    H    GLU  64           H        GLU  64   4.981  -2.115  -9.694
  521    HA   GLU  64           HA       GLU  64   5.515  -1.111 -11.542
  522    HB2  GLU  64           HB2      GLU  64   7.523  -1.889 -12.567
  523    HB3  GLU  64           HB3      GLU  64   7.542  -2.346 -10.873
  524    HG2  GLU  64           HG2      GLU  64   6.827  -4.691 -11.721
  525    HG3  GLU  64           HG3      GLU  64   7.228  -4.054 -13.329
  526    H    SER  65           H        SER  65   3.100  -1.717 -11.831
  527    HA   SER  65           HA       SER  65   2.761  -2.862 -14.600
  528    HB2  SER  65           HB2      SER  65   0.916  -3.166 -12.209
  529    HB3  SER  65           HB3      SER  65   0.519  -3.639 -13.868
  530    HG   SER  65           HG       SER  65   2.725  -4.658 -12.376
  531    H    THR  66           H        THR  66   1.108  -1.896 -15.836
  532    HA   THR  66           HA       THR  66   0.954   0.976 -15.169
  533    HB   THR  66           HB       THR  66   0.664  -0.398 -17.876
  534    HG1  THR  66           HG1      THR  66   2.835  -0.060 -18.153
  535   HG21  THR  66          HG21      THR  66  -0.225   1.926 -17.887
  536   HG22  THR  66          HG22      THR  66   1.336   2.511 -17.250
  537   HG23  THR  66          HG23      THR  66   1.240   1.775 -18.861
  538    H    LEU  67           H        LEU  67  -0.878   2.116 -15.340
  539    HA   LEU  67           HA       LEU  67  -3.508   0.785 -15.767
  540    HB2  LEU  67           HB2      LEU  67  -2.292   1.826 -13.356
  541    HB3  LEU  67           HB3      LEU  67  -3.421   3.063 -13.926
  542    HG   LEU  67           HG       LEU  67  -5.221   1.397 -13.970
  543   HD11  LEU  67          HD11      LEU  67  -3.739  -0.659 -14.165
  544   HD12  LEU  67          HD12      LEU  67  -3.166  -0.371 -12.524
  545   HD13  LEU  67          HD13      LEU  67  -4.898  -0.738 -12.840
  546   HD21  LEU  67          HD21      LEU  67  -3.760   1.653 -11.301
  547   HD22  LEU  67          HD22      LEU  67  -4.779   2.905 -12.051
  548   HD23  LEU  67          HD23      LEU  67  -5.497   1.348 -11.540
  549    H    HIS  68           H        HIS  68  -5.232   2.622 -15.986
  550    HA   HIS  68           HA       HIS  68  -4.094   4.843 -17.661
  551    HB2  HIS  68           HB2      HIS  68  -6.190   2.798 -18.258
  552    HB3  HIS  68           HB3      HIS  68  -6.497   4.447 -18.799
  553    HD2  HIS  68           HD2      HIS  68  -5.014   5.439 -20.711
  554    HE1  HIS  68           HE1      HIS  68  -3.121   1.816 -21.899
  555    H    LEU  69           H        LEU  69  -4.910   6.947 -17.090
  556    HA   LEU  69           HA       LEU  69  -7.081   7.026 -15.039
  557    HB2  LEU  69           HB2      LEU  69  -4.635   8.155 -14.922
  558    HB3  LEU  69           HB3      LEU  69  -5.339   9.329 -16.015
  559    HG   LEU  69           HG       LEU  69  -5.130   9.893 -13.613
  560   HD11  LEU  69          HD11      LEU  69  -7.831  10.389 -14.896
  561   HD12  LEU  69          HD12      LEU  69  -7.034  11.327 -13.616
  562   HD13  LEU  69          HD13      LEU  69  -6.315  11.283 -15.217
  563   HD21  LEU  69          HD21      LEU  69  -6.095   7.790 -12.744
  564   HD22  LEU  69          HD22      LEU  69  -6.838   9.255 -12.117
  565   HD23  LEU  69          HD23      LEU  69  -7.704   8.309 -13.341
  566    H    VAL  70           H        VAL  70  -9.040   8.057 -15.691
  567    HA   VAL  70           HA       VAL  70  -8.899   9.943 -18.018
  568    HB   VAL  70           HB       VAL  70 -10.679   9.038 -19.146
  569   HG11  VAL  70          HG11      VAL  70 -10.273   6.772 -19.751
  570   HG12  VAL  70          HG12      VAL  70  -8.685   7.406 -19.253
  571   HG13  VAL  70          HG13      VAL  70  -9.587   6.378 -18.158
  572   HG21  VAL  70          HG21      VAL  70 -12.213   7.204 -18.425
  573   HG22  VAL  70          HG22      VAL  70 -11.336   7.245 -16.864
  574   HG23  VAL  70          HG23      VAL  70 -12.334   8.629 -17.398
  575    H    LEU  71           H        LEU  71 -10.796  11.344 -17.999
  576    HA   LEU  71           HA       LEU  71 -11.578  12.106 -15.252
  577    HB2  LEU  71           HB2      LEU  71 -10.875  13.744 -17.172
  578    HB3  LEU  71           HB3      LEU  71 -12.364  13.249 -17.960
  579    HG   LEU  71           HG       LEU  71 -13.672  14.062 -15.992
  580   HD11  LEU  71          HD11      LEU  71 -12.604  15.626 -14.413
  581   HD12  LEU  71          HD12      LEU  71 -12.064  13.965 -14.173
  582   HD13  LEU  71          HD13      LEU  71 -11.010  15.131 -15.026
  583   HD21  LEU  71          HD21      LEU  71 -11.958  15.914 -17.633
  584   HD22  LEU  71          HD22      LEU  71 -13.598  15.285 -17.967
  585   HD23  LEU  71          HD23      LEU  71 -13.332  16.467 -16.656
  586    H    ARG  72           H        ARG  72 -13.835  11.902 -14.635
  587    HA   ARG  72           HA       ARG  72 -15.683  11.157 -16.785
  588    HB2  ARG  72           HB2      ARG  72 -16.542   9.270 -15.765
  589    HB3  ARG  72           HB3      ARG  72 -14.836   9.149 -15.386
  590    HG2  ARG  72           HG2      ARG  72 -15.357   8.842 -13.212
  591    HG3  ARG  72           HG3      ARG  72 -15.982  10.492 -13.136
  592    HD2  ARG  72           HD2      ARG  72 -18.168   9.642 -14.030
  593    HD3  ARG  72           HD3      ARG  72 -17.505   7.997 -13.972
  594    HE   ARG  72           HE       ARG  72 -17.400   9.418 -11.410
  595   HH11  ARG  72          HH21      ARG  72 -19.551   7.459 -13.510
  596   HH12  ARG  72          HH22      ARG  72 -20.530   6.915 -12.202
  597   HH21  ARG  72          HH11      ARG  72 -18.855   8.770  -9.683
  598   HH22  ARG  72          HH12      ARG  72 -20.121   7.661 -10.032
  599    H    LEU  73           H        LEU  73 -15.181  13.643 -15.302
  600    HA   LEU  73           HA       LEU  73 -16.357  15.471 -14.729
  601    HB2  LEU  73           HB2      LEU  73 -18.638  14.028 -16.147
  602    HB3  LEU  73           HB3      LEU  73 -18.508  15.751 -15.880
  603    HG   LEU  73           HG       LEU  73 -17.990  15.372 -18.131
  604   HD11  LEU  73          HD11      LEU  73 -15.828  16.439 -18.331
  605   HD12  LEU  73          HD12      LEU  73 -16.756  17.090 -16.988
  606   HD13  LEU  73          HD13      LEU  73 -15.449  15.956 -16.653
  607   HD21  LEU  73          HD21      LEU  73 -15.642  13.548 -17.680
  608   HD22  LEU  73          HD22      LEU  73 -17.295  12.869 -17.747
  609   HD23  LEU  73          HD23      LEU  73 -16.690  13.749 -19.093
  610    H    ARG  74           H        ARG  74 -17.944  12.668 -13.258
  611    HA   ARG  74           HA       ARG  74 -20.075  14.230 -12.087
  612    HB2  ARG  74           HB2      ARG  74 -18.947  11.459 -11.551
  613    HB3  ARG  74           HB3      ARG  74 -20.055  12.180 -10.398
  614    HG2  ARG  74           HG2      ARG  74 -21.520  11.009 -11.745
  615    HG3  ARG  74           HG3      ARG  74 -21.669  12.664 -12.328
  616    HD2  ARG  74           HD2      ARG  74 -19.884  11.948 -14.111
  617    HD3  ARG  74           HD3      ARG  74 -20.314  10.294 -13.672
  618    HE   ARG  74           HE       ARG  74 -21.641  12.068 -15.425
  619   HH11  ARG  74          HH21      ARG  74 -22.664   9.667 -12.964
  620   HH12  ARG  74          HH22      ARG  74 -24.139   9.312 -13.790
  621   HH21  ARG  74          HH12      ARG  74 -23.412  11.612 -16.444
  622   HH22  ARG  74          HH11      ARG  74 -24.628  10.484 -15.857
  623    H    GLY  75           H        GLY  75 -20.338  14.254  -9.544
  624    HA2  GLY  75           HA2      GLY  75 -18.175  14.594  -7.841
  625    HA3  GLY  75           HA3      GLY  75 -18.413  16.182  -8.600
  626    H    GLY  76           H        GLY  76 -21.469  15.542  -8.778
  627    HA2  GLY  76           HA2      GLY  76 -22.492  15.172  -6.160
  628    HA3  GLY  76           HA3      GLY  76 -22.431  16.902  -6.571
  629    H1   GLY  -3           H1       GLY  -3 -10.772  25.305 -23.827
  630    H2   GLY  -3           H2       GLY  -3  -9.975  25.183 -25.256
  631    H3   GLY  -3           H3       GLY  -3 -10.007  23.912 -24.216
  632    HA2  GLY  -3           HA2      GLY  -3 -12.330  25.035 -25.631
  633    HA3  GLY  -3           HA3      GLY  -3 -11.511  23.522 -26.054
  634    H    HIS  -2           H        HIS  -2 -14.213  23.473 -25.595
  635    HA   HIS  -2           HA       HIS  -2 -14.992  23.096 -22.872
  636    HB2  HIS  -2           HB2      HIS  -2 -16.307  22.333 -25.508
  637    HB3  HIS  -2           HB3      HIS  -2 -17.088  22.164 -23.948
  638    HD2  HIS  -2           HD2      HIS  -2 -16.679  24.649 -26.673
  639    HE1  HIS  -2           HE1      HIS  -2 -17.887  26.975 -23.299
  640    H    MET  -1           H        MET  -1 -13.443  20.853 -25.085
  641    HA   MET  -1           HA       MET  -1 -13.622  18.762 -23.016
  642    HB2  MET  -1           HB2      MET  -1 -14.214  17.025 -24.633
  643    HB3  MET  -1           HB3      MET  -1 -15.506  18.215 -24.491
  644    HG2  MET  -1           HG2      MET  -1 -14.841  19.224 -26.629
  645    HG3  MET  -1           HG3      MET  -1 -13.476  18.112 -26.756
  646    HE1  MET  -1           HE1      MET  -1 -15.799  16.841 -29.615
  647    HE2  MET  -1           HE2      MET  -1 -15.546  18.521 -29.094
  648    HE3  MET  -1           HE3      MET  -1 -14.171  17.397 -29.173
  649    H    PHE 679           H        PHE 679 -11.930  17.096 -23.289
  650    HA   PHE 679           HA       PHE 679  -9.774  16.608 -23.458
  651    HB2  PHE 679           HB2      PHE 679 -10.158  15.508 -25.303
  652    HB3  PHE 679           HB3      PHE 679 -10.737  16.893 -26.210
  653    HD1  PHE 679           HD1      PHE 679  -7.285  16.534 -24.670
  654    HD2  PHE 679           HD2      PHE 679  -9.705  16.600 -28.245
  655    HE1  PHE 679           HE1      PHE 679  -5.239  16.619 -26.062
  656    HE2  PHE 679           HE2      PHE 679  -7.650  16.678 -29.627
  657    HZ   PHE 679           HZ       PHE 679  -5.413  16.699 -28.544
  658    HA   PRO 680           HA       PRO 680  -7.942  20.755 -22.907
  659    HB2  PRO 680           HB2      PRO 680  -7.792  20.799 -20.195
  660    HB3  PRO 680           HB3      PRO 680  -9.297  21.254 -21.038
  661    HG2  PRO 680           HG2      PRO 680  -8.607  18.549 -19.832
  662    HG3  PRO 680           HG3      PRO 680 -10.086  19.533 -19.563
  663    HD2  PRO 680           HD2      PRO 680  -9.988  17.521 -21.408
  664    HD3  PRO 680           HD3      PRO 680 -10.924  19.019 -21.692
  665    H    SER 681           H        SER 681  -5.776  20.767 -21.312
  666    HA   SER 681           HA       SER 681  -3.958  18.866 -22.189
  667    HB2  SER 681           HB2      SER 681  -3.760  20.478 -19.617
  668    HB3  SER 681           HB3      SER 681  -2.440  19.946 -20.683
  669    HG   SER 681           HG       SER 681  -2.982  22.158 -21.030
  670    H    ASP 682           H        ASP 682  -6.406  17.900 -20.237
  671    HA   ASP 682           HA       ASP 682  -4.937  16.002 -18.502
  672    HB2  ASP 682           HB2      ASP 682  -7.148  17.197 -17.907
  673    HB3  ASP 682           HB3      ASP 682  -7.882  16.161 -19.148
  674    H    ILE 683           H        ILE 683  -6.043  16.143 -21.748
  675    HA   ILE 683           HA       ILE 683  -6.104  13.189 -21.892
  676    HB   ILE 683           HB       ILE 683  -7.978  14.726 -23.608
  677   HG12  ILE 683          HG12      ILE 683  -8.601  15.660 -21.337
  678   HG13  ILE 683          HG13      ILE 683  -9.851  14.685 -22.096
  679   HG21  ILE 683          HG21      ILE 683  -7.571  12.259 -23.728
  680   HG22  ILE 683          HG22      ILE 683  -8.423  12.196 -22.162
  681   HG23  ILE 683          HG23      ILE 683  -9.235  12.835 -23.592
  682   HD11  ILE 683          HD11      ILE 683  -9.672  12.960 -20.567
  683   HD12  ILE 683          HD12      ILE 683  -8.117  13.509 -19.938
  684   HD13  ILE 683          HD13      ILE 683  -9.607  14.433 -19.637
  685    H    ASP 684           H        ASP 684  -5.567  12.408 -24.091
  686    HA   ASP 684           HA       ASP 684  -4.497  14.220 -26.113
  687    HB2  ASP 684           HB2      ASP 684  -2.533  13.878 -24.692
  688    HB3  ASP 684           HB3      ASP 684  -2.806  12.136 -24.621
  689    HA   PRO 685           HA       PRO 685  -6.794  11.217 -28.249
  690    HB2  PRO 685           HB2      PRO 685  -5.563  11.103 -30.764
  691    HB3  PRO 685           HB3      PRO 685  -6.754  12.317 -30.202
  692    HG2  PRO 685           HG2      PRO 685  -3.731  12.500 -30.217
  693    HG3  PRO 685           HG3      PRO 685  -4.925  13.748 -30.707
  694    HD2  PRO 685           HD2      PRO 685  -3.766  13.847 -28.280
  695    HD3  PRO 685           HD3      PRO 685  -5.515  14.177 -28.435
  696    H    GLN 686           H        GLN 686  -3.213  10.581 -28.324
  697    HA   GLN 686           HA       GLN 686  -3.511   7.970 -29.484
  698    HB2  GLN 686           HB2      GLN 686  -1.264   9.094 -27.748
  699    HB3  GLN 686           HB3      GLN 686  -1.212   7.568 -28.643
  700    HG2  GLN 686           HG2      GLN 686  -1.564   8.821 -30.780
  701    HG3  GLN 686           HG3      GLN 686  -1.505  10.342 -29.876
  702   HE21  GLN 686          HE22      GLN 686   0.415   7.447 -30.833
  703   HE22  GLN 686          HE21      GLN 686   1.976   8.188 -30.580
  704    H    VAL 687           H        VAL 687  -3.211   9.039 -26.025
  705    HA   VAL 687           HA       VAL 687  -3.398   6.387 -24.972
  706    HB   VAL 687           HB       VAL 687  -4.361   8.923 -23.598
  707   HG11  VAL 687          HG11      VAL 687  -4.910   6.866 -22.438
  708   HG12  VAL 687          HG12      VAL 687  -3.311   6.222 -22.713
  709   HG13  VAL 687          HG13      VAL 687  -3.534   7.582 -21.587
  710   HG21  VAL 687          HG21      VAL 687  -1.999   8.995 -22.660
  711   HG22  VAL 687          HG22      VAL 687  -1.523   7.933 -24.023
  712   HG23  VAL 687          HG23      VAL 687  -2.177   9.560 -24.317
  713    H    PHE 688           H        PHE 688  -5.767   8.796 -25.924
  714    HA   PHE 688           HA       PHE 688  -8.042   7.618 -24.706
  715    HB2  PHE 688           HB2      PHE 688  -7.633   9.860 -24.895
  716    HB3  PHE 688           HB3      PHE 688  -7.482   9.817 -26.653
  717    HD1  PHE 688           HD1      PHE 688 -10.173   9.042 -24.093
  718    HD2  PHE 688           HD2      PHE 688  -9.201  10.374 -28.081
  719    HE1  PHE 688           HE1      PHE 688 -12.563   9.570 -24.513
  720    HE2  PHE 688           HE2      PHE 688 -11.579  10.884 -28.484
  721    HZ   PHE 688           HZ       PHE 688 -13.270  10.490 -26.706
  722    H    TYR 689           H        TYR 689  -6.262   6.976 -27.649
  723    HA   TYR 689           HA       TYR 689  -8.412   5.313 -28.814
  724    HB2  TYR 689           HB2      TYR 689  -5.547   5.881 -29.632
  725    HB3  TYR 689           HB3      TYR 689  -6.682   4.904 -30.558
  726    HD1  TYR 689           HD2      TYR 689  -9.026   7.175 -29.779
  727    HD2  TYR 689           HD1      TYR 689  -5.165   7.142 -31.725
  728    HE1  TYR 689           HE2      TYR 689  -9.632   9.215 -31.010
  729    HE2  TYR 689           HE1      TYR 689  -5.784   9.171 -32.986
  730    HH   TYR 689           HH       TYR 689  -7.428  10.804 -33.376
  731    H    GLU 690           H        GLU 690  -5.564   5.054 -26.766
  732    HA   GLU 690           HA       GLU 690  -5.212   2.173 -26.747
  733    HB2  GLU 690           HB2      GLU 690  -3.901   4.422 -25.796
  734    HB3  GLU 690           HB3      GLU 690  -4.586   3.755 -24.318
  735    HG2  GLU 690           HG2      GLU 690  -3.456   1.621 -24.759
  736    HG3  GLU 690           HG3      GLU 690  -2.834   2.237 -26.293
  737    H    LEU 691           H        LEU 691  -7.942   3.742 -26.162
  738    HA   LEU 691           HA       LEU 691  -8.641   2.651 -23.522
  739    HB2  LEU 691           HB2      LEU 691  -8.410   5.249 -24.501
  740    HB3  LEU 691           HB3      LEU 691 -10.081   4.921 -24.891
  741    HG   LEU 691           HG       LEU 691 -10.501   4.516 -22.522
  742   HD11  LEU 691          HD11      LEU 691  -8.693   5.231 -20.850
  743   HD12  LEU 691          HD12      LEU 691  -8.375   3.702 -21.667
  744   HD13  LEU 691          HD13      LEU 691  -7.549   5.176 -22.209
  745   HD21  LEU 691          HD21      LEU 691 -10.510   6.787 -21.855
  746   HD22  LEU 691          HD22      LEU 691  -9.177   7.163 -22.988
  747   HD23  LEU 691          HD23      LEU 691 -10.791   6.707 -23.571
  748    HA   PRO 692           HA       PRO 692 -12.117   0.462 -25.452
  749    HB2  PRO 692           HB2      PRO 692 -14.019   0.608 -23.448
  750    HB3  PRO 692           HB3      PRO 692 -12.569  -0.445 -23.350
  751    HG2  PRO 692           HG2      PRO 692 -12.823   2.422 -22.287
  752    HG3  PRO 692           HG3      PRO 692 -12.376   0.942 -21.343
  753    HD2  PRO 692           HD2      PRO 692 -10.475   2.484 -22.292
  754    HD3  PRO 692           HD3      PRO 692 -10.334   0.750 -22.608
  755    H    GLU 693           H        GLU 693 -13.821   1.090 -26.829
  756    HA   GLU 693           HA       GLU 693 -14.246   3.861 -27.200
  757    HB2  GLU 693           HB2      GLU 693 -15.856   3.330 -28.825
  758    HB3  GLU 693           HB3      GLU 693 -14.484   2.233 -29.013
  759    HG2  GLU 693           HG2      GLU 693 -15.743   0.360 -28.255
  760    HG3  GLU 693           HG3      GLU 693 -17.022   1.372 -27.578
  761    H    ALA 694           H        ALA 694 -16.089   1.539 -25.280
  762    HA   ALA 694           HA       ALA 694 -18.474   3.091 -25.133
  763    HB1  ALA 694           HB1      ALA 694 -17.354   0.967 -23.249
  764    HB2  ALA 694           HB2      ALA 694 -19.049   1.535 -23.306
  765    HB3  ALA 694           HB3      ALA 694 -18.338   0.694 -24.705
  766    H    VAL 695           H        VAL 695 -15.590   2.905 -22.993
  767    HA   VAL 695           HA       VAL 695 -16.685   4.865 -21.152
  768    HB   VAL 695           HB       VAL 695 -13.733   4.226 -21.413
  769   HG11  VAL 695          HG11      VAL 695 -14.015   4.651 -18.842
  770   HG12  VAL 695          HG12      VAL 695 -14.147   6.069 -19.921
  771   HG13  VAL 695          HG13      VAL 695 -15.603   5.281 -19.239
  772   HG21  VAL 695          HG21      VAL 695 -15.787   2.686 -19.755
  773   HG22  VAL 695          HG22      VAL 695 -14.953   2.029 -21.173
  774   HG23  VAL 695          HG23      VAL 695 -14.019   2.445 -19.736
  775    H    GLN 696           H        GLN 696 -14.541   5.004 -24.083
  776    HA   GLN 696           HA       GLN 696 -14.025   7.783 -23.904
  777    HB2  GLN 696           HB2      GLN 696 -14.578   6.111 -26.400
  778    HB3  GLN 696           HB3      GLN 696 -13.986   7.759 -26.421
  779    HG2  GLN 696           HG2      GLN 696 -11.872   7.123 -25.458
  780    HG3  GLN 696           HG3      GLN 696 -12.415   5.509 -25.112
  781   HE21  GLN 696          HE22      GLN 696 -11.572   4.031 -26.701
  782   HE22  GLN 696          HE21      GLN 696 -11.439   4.412 -28.390
  783    H    LYS 697           H        LYS 697 -16.892   6.033 -25.220
  784    HA   LYS 697           HA       LYS 697 -18.348   8.233 -26.167
  785    HB2  LYS 697           HB2      LYS 697 -18.822   5.447 -25.766
  786    HB3  LYS 697           HB3      LYS 697 -20.043   6.240 -24.816
  787    HG2  LYS 697           HG2      LYS 697 -21.270   6.483 -26.648
  788    HG3  LYS 697           HG3      LYS 697 -20.109   7.636 -27.286
  789    HD2  LYS 697           HD2      LYS 697 -20.077   4.607 -27.710
  790    HD3  LYS 697           HD3      LYS 697 -20.651   5.815 -28.861
  791    HE2  LYS 697           HE2      LYS 697 -18.340   6.825 -28.906
  792    HE3  LYS 697           HE3      LYS 697 -17.770   5.500 -27.883
  793    HZ1  LYS 697           HZ1      LYS 697 -17.406   5.101 -30.284
  794    HZ2  LYS 697           HZ2      LYS 697 -18.363   3.929 -29.665
  795    HZ3  LYS 697           HZ3      LYS 697 -19.011   5.140 -30.565
  796    H    GLU 698           H        GLU 698 -18.224   6.903 -22.862
  797    HA   GLU 698           HA       GLU 698 -20.102   8.659 -21.636
  798    HB2  GLU 698           HB2      GLU 698 -18.515   6.673 -20.572
  799    HB3  GLU 698           HB3      GLU 698 -17.569   8.072 -20.074
  800    HG2  GLU 698           HG2      GLU 698 -18.916   8.041 -18.292
  801    HG3  GLU 698           HG3      GLU 698 -19.941   9.035 -19.303
  802    H    LEU 699           H        LEU 699 -16.623   8.861 -22.034
  803    HA   LEU 699           HA       LEU 699 -16.133  11.285 -20.680
  804    HB2  LEU 699           HB2      LEU 699 -14.744   9.496 -22.660
  805    HB3  LEU 699           HB3      LEU 699 -14.069  11.068 -22.449
  806    HG   LEU 699           HG       LEU 699 -13.416  10.667 -20.249
  807   HD11  LEU 699          HD11      LEU 699 -14.160   8.784 -18.823
  808   HD12  LEU 699          HD12      LEU 699 -15.470   9.882 -19.192
  809   HD13  LEU 699          HD13      LEU 699 -15.344   8.321 -20.045
  810   HD21  LEU 699          HD21      LEU 699 -12.174   9.319 -21.908
  811   HD22  LEU 699          HD22      LEU 699 -12.288   8.427 -20.378
  812   HD23  LEU 699          HD23      LEU 699 -13.333   7.974 -21.707
  813    H    LEU 700           H        LEU 700 -16.213  10.808 -24.255
  814    HA   LEU 700           HA       LEU 700 -15.932  13.567 -24.756
  815    HB2  LEU 700           HB2      LEU 700 -16.582  13.108 -27.058
  816    HB3  LEU 700           HB3      LEU 700 -15.386  11.978 -26.437
  817    HG   LEU 700           HG       LEU 700 -17.702  10.623 -25.901
  818   HD11  LEU 700          HD11      LEU 700 -19.122  12.297 -27.083
  819   HD12  LEU 700          HD12      LEU 700 -18.212  11.982 -28.574
  820   HD13  LEU 700          HD13      LEU 700 -19.189  10.687 -27.816
  821   HD21  LEU 700          HD21      LEU 700 -16.156  10.508 -28.520
  822   HD22  LEU 700          HD22      LEU 700 -15.694   9.720 -26.999
  823   HD23  LEU 700          HD23      LEU 700 -17.163   9.208 -27.824
  824    H    ALA 701           H        ALA 701 -18.928  11.639 -24.277
  825    HA   ALA 701           HA       ALA 701 -20.621  13.814 -25.135
  826    HB1  ALA 701           HB1      ALA 701 -21.291  11.435 -25.148
  827    HB2  ALA 701           HB2      ALA 701 -21.218  11.398 -23.368
  828    HB3  ALA 701           HB3      ALA 701 -22.419  12.428 -24.184
  829    H    GLU 702           H        GLU 702 -19.626  12.615 -21.858
  830    HA   GLU 702           HA       GLU 702 -21.025  14.704 -20.453
  831    HB2  GLU 702           HB2      GLU 702 -18.616  13.006 -19.701
  832    HB3  GLU 702           HB3      GLU 702 -19.470  14.045 -18.577
  833    HG2  GLU 702           HG2      GLU 702 -20.827  11.755 -19.991
  834    HG3  GLU 702           HG3      GLU 702 -20.023  11.656 -18.413
  835    H    TRP 703           H        TRP 703 -17.750  14.471 -21.863
  836    HA   TRP 703           HA       TRP 703 -16.716  16.663 -20.475
  837    HB2  TRP 703           HB2      TRP 703 -16.024  15.699 -23.290
  838    HB3  TRP 703           HB3      TRP 703 -15.134  16.929 -22.418
  839    HD1  TRP 703           HD1      TRP 703 -15.120  14.900 -19.654
  840    HE1  TRP 703           HE1      TRP 703 -13.396  13.057 -19.597
  841    HE3  TRP 703           HE3      TRP 703 -13.882  14.757 -24.634
  842    HZ2  TRP 703           HZ2      TRP 703 -11.468  11.854 -21.371
  843    HZ3  TRP 703           HZ3      TRP 703 -12.159  13.166 -25.410
  844    HH2  TRP 703           HH2      TRP 703 -10.982  11.695 -23.792
  845    H    LYS 704           H        LYS 704 -18.238  16.526 -23.785
  846    HA   LYS 704           HA       LYS 704 -18.200  19.403 -24.006
  847    HB2  LYS 704           HB2      LYS 704 -19.299  19.142 -26.090
  848    HB3  LYS 704           HB3      LYS 704 -18.108  17.855 -25.925
  849    HG2  LYS 704           HG2      LYS 704 -19.974  16.288 -25.285
  850    HG3  LYS 704           HG3      LYS 704 -21.122  17.583 -25.639
  851    HD2  LYS 704           HD2      LYS 704 -20.366  17.692 -27.956
  852    HD3  LYS 704           HD3      LYS 704 -19.080  16.507 -27.635
  853    HE2  LYS 704           HE2      LYS 704 -20.712  14.779 -27.122
  854    HE3  LYS 704           HE3      LYS 704 -22.048  15.930 -27.251
  855    HZ1  LYS 704           HZ1      LYS 704 -21.558  16.167 -29.622
  856    HZ2  LYS 704           HZ2      LYS 704 -20.295  15.125 -29.519
  857    HZ3  LYS 704           HZ3      LYS 704 -21.814  14.593 -29.269
  858    H    ARG 705           H        ARG 705 -20.653  17.124 -22.766
  859    HA   ARG 705           HA       ARG 705 -22.834  18.974 -22.733
  860    HB2  ARG 705           HB2      ARG 705 -22.125  16.452 -21.219
  861    HB3  ARG 705           HB3      ARG 705 -23.463  17.435 -20.638
  862    HG2  ARG 705           HG2      ARG 705 -24.727  17.209 -22.563
  863    HG3  ARG 705           HG3      ARG 705 -23.373  16.697 -23.566
  864    HD2  ARG 705           HD2      ARG 705 -25.100  14.879 -22.896
  865    HD3  ARG 705           HD3      ARG 705 -23.395  14.512 -22.771
  866    HE   ARG 705           HE       ARG 705 -23.547  14.249 -20.525
  867   HH11  ARG 705          HH12      ARG 705 -26.563  15.911 -21.477
  868   HH12  ARG 705          HH11      ARG 705 -27.258  15.758 -19.903
  869   HH21  ARG 705          HH21      ARG 705 -24.379  14.065 -18.609
  870   HH22  ARG 705          HH22      ARG 705 -25.974  14.652 -18.163
  871    H    THR 706           H        THR 706 -20.400  18.186 -20.178
  872    HA   THR 706           HA       THR 706 -21.487  20.211 -18.433
  873    HB   THR 706           HB       THR 706 -19.343  19.867 -17.145
  874    HG1  THR 706           HG1      THR 706 -18.900  17.763 -19.026
  875   HG21  THR 706          HG21      THR 706 -20.907  17.321 -17.813
  876   HG22  THR 706          HG22      THR 706 -19.942  17.626 -16.352
  877   HG23  THR 706          HG23      THR 706 -21.397  18.576 -16.658
  878    H    GLY 707           H        GLY 707 -18.673  20.046 -20.627
  879    HA2  GLY 707           HA2      GLY 707 -17.627  21.536 -21.871
  880    HA3  GLY 707           HA3      GLY 707 -19.078  22.554 -21.764
  Start of MODEL    8
    1    H1   MET   1           H1       MET   1   5.060  -1.118  -2.793
    2    H2   MET   1           H2       MET   1   3.507  -1.525  -3.067
    3    H3   MET   1           H3       MET   1   4.643  -2.700  -2.800
    4    HA   MET   1           HA       MET   1   5.835  -2.055  -4.814
    5    HB2  MET   1           HB2      MET   1   4.444  -3.046  -6.451
    6    HB3  MET   1           HB3      MET   1   4.179  -3.936  -4.956
    7    HG2  MET   1           HG2      MET   1   1.997  -2.575  -4.746
    8    HG3  MET   1           HG3      MET   1   2.335  -1.977  -6.379
    9    HE1  MET   1           HE1      MET   1  -0.329  -4.520  -7.602
   10    HE2  MET   1           HE2      MET   1  -0.411  -3.158  -6.468
   11    HE3  MET   1           HE3      MET   1   0.498  -2.998  -7.996
   12    H    GLN   2           H        GLN   2   5.273  -1.092  -7.196
   13    HA   GLN   2           HA       GLN   2   3.874   1.497  -6.835
   14    HB2  GLN   2           HB2      GLN   2   5.544   2.646  -7.924
   15    HB3  GLN   2           HB3      GLN   2   6.454   1.568  -6.893
   16    HG2  GLN   2           HG2      GLN   2   5.994   1.142  -9.886
   17    HG3  GLN   2           HG3      GLN   2   7.398   1.897  -9.167
   18   HE21  GLN   2          HE22      GLN   2   9.111   0.487  -9.497
   19   HE22  GLN   2          HE21      GLN   2   9.051  -1.221  -9.134
   20    H    ILE   3           H        ILE   3   2.836   2.310  -8.747
   21    HA   ILE   3           HA       ILE   3   2.760   0.479 -11.145
   22    HB   ILE   3           HB       ILE   3   0.304   0.795 -11.288
   23   HG12  ILE   3          HG12      ILE   3   0.274   1.463  -8.323
   24   HG13  ILE   3          HG13      ILE   3   0.417   2.731  -9.513
   25   HG21  ILE   3          HG21      ILE   3   1.385  -1.334 -10.505
   26   HG22  ILE   3          HG22      ILE   3   1.174  -0.826  -8.823
   27   HG23  ILE   3          HG23      ILE   3  -0.247  -1.101  -9.855
   28   HD11  ILE   3          HD11      ILE   3  -1.873   0.775  -9.414
   29   HD12  ILE   3          HD12      ILE   3  -1.872   2.488  -8.914
   30   HD13  ILE   3          HD13      ILE   3  -1.610   2.065 -10.624
   31    H    PHE   4           H        PHE   4   1.973   1.494 -13.005
   32    HA   PHE   4           HA       PHE   4   2.726   4.378 -13.023
   33    HB2  PHE   4           HB2      PHE   4   2.795   2.552 -15.413
   34    HB3  PHE   4           HB3      PHE   4   3.686   4.034 -15.058
   35    HD1  PHE   4           HD2      PHE   4   5.088   3.780 -12.728
   36    HD2  PHE   4           HD1      PHE   4   4.129   0.610 -15.461
   37    HE1  PHE   4           HE2      PHE   4   6.969   2.447 -11.830
   38    HE2  PHE   4           HE1      PHE   4   6.151  -0.626 -14.697
   39    HZ   PHE   4           HZ       PHE   4   7.578   0.283 -12.901
   40    H    VAL   5           H        VAL   5   0.763   5.474 -12.902
   41    HA   VAL   5           HA       VAL   5  -1.539   4.419 -14.489
   42    HB   VAL   5           HB       VAL   5  -1.411   6.724 -12.530
   43   HG11  VAL   5          HG11      VAL   5  -3.806   5.420 -13.935
   44   HG12  VAL   5          HG12      VAL   5  -3.895   6.606 -12.610
   45   HG13  VAL   5          HG13      VAL   5  -3.191   7.077 -14.169
   46   HG21  VAL   5          HG21      VAL   5  -2.556   3.917 -12.237
   47   HG22  VAL   5          HG22      VAL   5  -1.051   4.450 -11.530
   48   HG23  VAL   5          HG23      VAL   5  -2.600   5.188 -11.035
   49    H    LYS   6           H        LYS   6  -1.373   4.857 -16.656
   50    HA   LYS   6           HA       LYS   6  -0.037   7.279 -17.502
   51    HB2  LYS   6           HB2      LYS   6  -0.218   5.048 -18.829
   52    HB3  LYS   6           HB3      LYS   6  -1.844   5.619 -19.289
   53    HG2  LYS   6           HG2      LYS   6  -0.721   7.841 -19.989
   54    HG3  LYS   6           HG3      LYS   6   0.814   7.084 -19.620
   55    HD2  LYS   6           HD2      LYS   6  -0.243   5.250 -21.364
   56    HD3  LYS   6           HD3      LYS   6  -1.039   6.740 -21.926
   57    HE2  LYS   6           HE2      LYS   6   1.004   6.507 -23.197
   58    HE3  LYS   6           HE3      LYS   6   1.241   7.838 -22.061
   59    HZ1  LYS   6           HZ1      LYS   6   2.563   6.308 -20.639
   60    HZ2  LYS   6           HZ2      LYS   6   2.290   5.069 -21.694
   61    HZ3  LYS   6           HZ3      LYS   6   3.171   6.357 -22.153
   62    H    THR   7           H        THR   7  -1.005   9.287 -17.727
   63    HA   THR   7           HA       THR   7  -3.917   9.360 -17.437
   64    HB   THR   7           HB       THR   7  -3.752  11.670 -17.417
   65    HG1  THR   7           HG1      THR   7  -1.651  12.662 -17.484
   66   HG21  THR   7          HG21      THR   7  -2.591  12.050 -15.303
   67   HG22  THR   7          HG22      THR   7  -3.525  10.541 -15.307
   68   HG23  THR   7          HG23      THR   7  -1.747  10.486 -15.493
   69    H    LEU   8           H        LEU   8  -5.210  10.509 -18.858
   70    HA   LEU   8           HA       LEU   8  -4.819   9.358 -21.426
   71    HB2  LEU   8           HB2      LEU   8  -6.797  11.453 -20.620
   72    HB3  LEU   8           HB3      LEU   8  -6.619  10.822 -22.261
   73    HG   LEU   8           HG       LEU   8  -7.713   9.456 -19.855
   74   HD11  LEU   8          HD11      LEU   8  -9.310  10.478 -21.249
   75   HD12  LEU   8          HD12      LEU   8  -8.604   9.749 -22.715
   76   HD13  LEU   8          HD13      LEU   8  -9.437   8.740 -21.509
   77   HD21  LEU   8          HD21      LEU   8  -6.084   7.791 -20.570
   78   HD22  LEU   8          HD22      LEU   8  -7.660   7.254 -21.091
   79   HD23  LEU   8          HD23      LEU   8  -6.581   8.007 -22.277
   80    H    THR   9           H        THR   9  -3.286  12.238 -20.255
   81    HA   THR   9           HA       THR   9  -3.194  13.599 -22.805
   82    HB   THR   9           HB       THR   9  -3.090  14.909 -20.854
   83    HG1  THR   9           HG1      THR   9  -1.944  16.101 -22.021
   84   HG21  THR   9          HG21      THR   9  -2.309  13.681 -19.111
   85   HG22  THR   9          HG22      THR   9  -0.766  13.262 -19.921
   86   HG23  THR   9          HG23      THR   9  -1.066  14.912 -19.331
   87    H    GLY  10           H        GLY  10  -1.624  10.845 -21.496
   88    HA2  GLY  10           HA2      GLY  10   0.101   9.591 -22.483
   89    HA3  GLY  10           HA3      GLY  10   0.591  10.987 -23.463
   90    H    LYS  11           H        LYS  11  -0.048  10.835 -19.868
   91    HA   LYS  11           HA       LYS  11   2.923  11.170 -19.484
   92    HB2  LYS  11           HB2      LYS  11   1.882  13.270 -18.930
   93    HB3  LYS  11           HB3      LYS  11   0.624  12.492 -17.985
   94    HG2  LYS  11           HG2      LYS  11   3.467  12.005 -17.149
   95    HG3  LYS  11           HG3      LYS  11   2.824  13.623 -16.925
   96    HD2  LYS  11           HD2      LYS  11   1.610  11.091 -15.776
   97    HD3  LYS  11           HD3      LYS  11   2.666  12.185 -14.900
   98    HE2  LYS  11           HE2      LYS  11  -0.067  12.934 -16.051
   99    HE3  LYS  11           HE3      LYS  11   0.238  12.409 -14.399
  100    HZ1  LYS  11           HZ1      LYS  11   1.250  14.927 -15.604
  101    HZ2  LYS  11           HZ2      LYS  11   0.117  14.711 -14.412
  102    HZ3  LYS  11           HZ3      LYS  11   1.673  14.364 -14.104
  103    H    THR  12           H        THR  12   3.654   9.826 -17.642
  104    HA   THR  12           HA       THR  12   1.551   7.989 -16.573
  105    HB   THR  12           HB       THR  12   4.354   7.045 -17.045
  106    HG1  THR  12           HG1      THR  12   3.953   7.617 -19.104
  107   HG21  THR  12          HG21      THR  12   2.444   5.809 -15.810
  108   HG22  THR  12          HG22      THR  12   1.681   5.635 -17.415
  109   HG23  THR  12          HG23      THR  12   3.264   4.912 -17.136
  110    H    ILE  13           H        ILE  13   1.177   8.318 -14.593
  111    HA   ILE  13           HA       ILE  13   3.286   9.537 -12.917
  112    HB   ILE  13           HB       ILE  13   1.634  10.901 -12.598
  113   HG12  ILE  13          HG12      ILE  13   1.939   9.313 -10.407
  114   HG13  ILE  13          HG13      ILE  13   1.063  10.812 -10.491
  115   HG21  ILE  13          HG21      ILE  13  -0.059  10.191 -14.081
  116   HG22  ILE  13          HG22      ILE  13  -0.586   8.901 -12.967
  117   HG23  ILE  13          HG23      ILE  13  -0.763  10.629 -12.506
  118   HD11  ILE  13          HD11      ILE  13  -1.049   9.791 -10.389
  119   HD12  ILE  13          HD12      ILE  13  -0.353   8.186 -10.822
  120   HD13  ILE  13          HD13      ILE  13  -0.044   8.917  -9.239
  121    H    THR  14           H        THR  14   4.432   8.184 -11.804
  122    HA   THR  14           HA       THR  14   3.506   5.468 -11.306
  123    HB   THR  14           HB       THR  14   5.976   6.892 -10.355
  124    HG1  THR  14           HG1      THR  14   6.965   6.211 -12.206
  125   HG21  THR  14          HG21      THR  14   6.882   4.431 -10.393
  126   HG22  THR  14          HG22      THR  14   5.707   4.792  -9.120
  127   HG23  THR  14          HG23      THR  14   5.203   3.900 -10.565
  128    H    LEU  15           H        LEU  15   2.829   4.724  -9.230
  129    HA   LEU  15           HA       LEU  15   3.139   6.545  -6.952
  130    HB2  LEU  15           HB2      LEU  15   0.868   6.431  -6.269
  131    HB3  LEU  15           HB3      LEU  15   0.927   7.142  -7.898
  132    HG   LEU  15           HG       LEU  15   0.345   4.199  -7.787
  133   HD11  LEU  15          HD11      LEU  15  -1.998   4.569  -7.245
  134   HD12  LEU  15          HD12      LEU  15  -0.997   5.121  -5.897
  135   HD13  LEU  15          HD13      LEU  15  -1.710   6.315  -7.035
  136   HD21  LEU  15          HD21      LEU  15  -1.193   4.753  -9.446
  137   HD22  LEU  15          HD22      LEU  15  -0.846   6.496  -9.321
  138   HD23  LEU  15          HD23      LEU  15   0.418   5.381  -9.904
  139    H    GLU  16           H        GLU  16   2.671   5.450  -4.886
  140    HA   GLU  16           HA       GLU  16   3.389   2.608  -5.181
  141    HB2  GLU  16           HB2      GLU  16   3.980   4.651  -3.026
  142    HB3  GLU  16           HB3      GLU  16   4.066   2.906  -2.699
  143    HG2  GLU  16           HG2      GLU  16   5.605   2.611  -4.624
  144    HG3  GLU  16           HG3      GLU  16   5.608   4.355  -4.892
  145    H    VAL  17           H        VAL  17   2.241   1.101  -4.423
  146    HA   VAL  17           HA       VAL  17  -0.324   1.522  -2.975
  147    HB   VAL  17           HB       VAL  17  -1.552   0.382  -4.786
  148   HG11  VAL  17          HG11      VAL  17  -1.447   2.856  -4.852
  149   HG12  VAL  17          HG12      VAL  17  -0.052   2.745  -5.963
  150   HG13  VAL  17          HG13      VAL  17  -1.629   2.123  -6.460
  151   HG21  VAL  17          HG21      VAL  17  -0.512  -0.025  -6.991
  152   HG22  VAL  17          HG22      VAL  17   1.072   0.479  -6.367
  153   HG23  VAL  17          HG23      VAL  17   0.258  -0.982  -5.747
  154    H    GLU  18           H        GLU  18  -1.396  -0.924  -3.341
  155    HA   GLU  18           HA       GLU  18   0.588  -3.057  -2.806
  156    HB2  GLU  18           HB2      GLU  18  -2.070  -2.736  -1.318
  157    HB3  GLU  18           HB3      GLU  18  -0.891  -4.031  -1.122
  158    HG2  GLU  18           HG2      GLU  18   0.758  -2.271  -0.328
  159    HG3  GLU  18           HG3      GLU  18  -0.589  -1.111  -0.355
  160    HA   PRO  19           HA       PRO  19  -2.139  -4.835  -5.973
  161    HB2  PRO  19           HB2      PRO  19  -2.300  -7.375  -4.400
  162    HB3  PRO  19           HB3      PRO  19  -1.818  -7.109  -6.110
  163    HG2  PRO  19           HG2      PRO  19   0.009  -7.655  -4.118
  164    HG3  PRO  19           HG3      PRO  19   0.374  -6.630  -5.529
  165    HD2  PRO  19           HD2      PRO  19  -0.244  -5.813  -2.706
  166    HD3  PRO  19           HD3      PRO  19   0.855  -5.053  -3.899
  167    H    SER  20           H        SER  20  -2.943  -5.084  -2.492
  168    HA   SER  20           HA       SER  20  -5.812  -5.508  -3.116
  169    HB2  SER  20           HB2      SER  20  -4.356  -5.627  -0.440
  170    HB3  SER  20           HB3      SER  20  -6.012  -6.160  -0.787
  171    HG   SER  20           HG       SER  20  -4.510  -7.925  -0.753
  172    H    ASP  21           H        ASP  21  -3.960  -2.932  -3.271
  173    HA   ASP  21           HA       ASP  21  -5.416  -1.255  -1.465
  174    HB2  ASP  21           HB2      ASP  21  -3.096  -0.724  -2.381
  175    HB3  ASP  21           HB3      ASP  21  -3.884  -0.373  -3.937
  176    H    THR  22           H        THR  22  -7.257  -0.082  -2.027
  177    HA   THR  22           HA       THR  22  -8.821  -1.269  -4.141
  178    HB   THR  22           HB       THR  22 -10.562   0.459  -3.384
  179    HG1  THR  22           HG1      THR  22 -10.104   1.190  -1.163
  180   HG21  THR  22          HG21      THR  22 -10.698  -1.863  -2.853
  181   HG22  THR  22          HG22      THR  22  -9.596  -1.658  -1.449
  182   HG23  THR  22          HG23      THR  22 -11.217  -0.882  -1.480
  183    H    ILE  23           H        ILE  23  -9.630  -0.334  -5.905
  184    HA   ILE  23           HA       ILE  23  -8.379   1.757  -7.276
  185    HB   ILE  23           HB       ILE  23 -11.329   1.119  -7.273
  186   HG12  ILE  23          HG12      ILE  23 -10.525  -0.940  -7.811
  187   HG13  ILE  23          HG13      ILE  23 -10.595  -0.178  -9.401
  188   HG21  ILE  23          HG21      ILE  23 -11.361   1.964  -9.595
  189   HG22  ILE  23          HG22      ILE  23 -10.811   3.226  -8.494
  190   HG23  ILE  23          HG23      ILE  23  -9.628   2.345  -9.469
  191   HD11  ILE  23          HD11      ILE  23  -8.604  -1.480  -9.236
  192   HD12  ILE  23          HD12      ILE  23  -8.135   0.240  -9.255
  193   HD13  ILE  23          HD13      ILE  23  -8.133  -0.689  -7.732
  194    H    GLU  24           H        GLU  24 -11.045   2.131  -4.808
  195    HA   GLU  24           HA       GLU  24 -11.474   4.886  -5.069
  196    HB2  GLU  24           HB2      GLU  24 -12.698   3.329  -3.510
  197    HB3  GLU  24           HB3      GLU  24 -11.279   3.252  -2.482
  198    HG2  GLU  24           HG2      GLU  24 -11.448   5.702  -2.064
  199    HG3  GLU  24           HG3      GLU  24 -12.831   5.787  -3.157
  200    H    ASN  25           H        ASN  25  -8.948   3.227  -3.114
  201    HA   ASN  25           HA       ASN  25  -7.946   5.771  -2.096
  202    HB2  ASN  25           HB2      ASN  25  -7.911   3.619  -0.805
  203    HB3  ASN  25           HB3      ASN  25  -6.761   2.983  -1.982
  204   HD21  ASN  25          HD22      ASN  25  -5.013   2.738  -0.647
  205   HD22  ASN  25          HD21      ASN  25  -4.269   4.026   0.315
  206    H    VAL  26           H        VAL  26  -7.074   3.534  -4.730
  207    HA   VAL  26           HA       VAL  26  -4.584   4.722  -5.444
  208    HB   VAL  26           HB       VAL  26  -6.747   3.150  -6.844
  209   HG11  VAL  26          HG11      VAL  26  -4.059   3.949  -8.006
  210   HG12  VAL  26          HG12      VAL  26  -5.140   2.717  -8.681
  211   HG13  VAL  26          HG13      VAL  26  -5.679   4.416  -8.575
  212   HG21  VAL  26          HG21      VAL  26  -3.933   2.239  -6.153
  213   HG22  VAL  26          HG22      VAL  26  -5.280   2.060  -5.032
  214   HG23  VAL  26          HG23      VAL  26  -5.361   1.246  -6.586
  215    H    LYS  27           H        LYS  27  -7.972   5.316  -6.746
  216    HA   LYS  27           HA       LYS  27  -7.239   7.520  -8.322
  217    HB2  LYS  27           HB2      LYS  27  -9.787   7.182  -6.629
  218    HB3  LYS  27           HB3      LYS  27  -9.576   8.420  -7.863
  219    HG2  LYS  27           HG2      LYS  27  -9.482   6.614  -9.609
  220    HG3  LYS  27           HG3      LYS  27  -9.894   5.447  -8.330
  221    HD2  LYS  27           HD2      LYS  27 -11.839   7.127  -7.751
  222    HD3  LYS  27           HD3      LYS  27 -11.488   7.816  -9.348
  223    HE2  LYS  27           HE2      LYS  27 -11.999   5.591 -10.371
  224    HE3  LYS  27           HE3      LYS  27 -12.418   4.981  -8.764
  225    HZ1  LYS  27           HZ1      LYS  27 -13.795   7.314 -10.096
  226    HZ2  LYS  27           HZ2      LYS  27 -14.432   5.800  -9.944
  227    HZ3  LYS  27           HZ3      LYS  27 -14.171   6.721  -8.617
  228    H    ALA  28           H        ALA  28  -7.873   7.450  -4.764
  229    HA   ALA  28           HA       ALA  28  -7.812  10.298  -4.445
  230    HB1  ALA  28           HB1      ALA  28  -7.051   8.162  -2.401
  231    HB2  ALA  28           HB2      ALA  28  -7.499   9.844  -2.076
  232    HB3  ALA  28           HB3      ALA  28  -8.708   8.722  -2.739
  233    H    LYS  29           H        LYS  29  -5.203   7.817  -4.584
  234    HA   LYS  29           HA       LYS  29  -3.089   9.715  -3.943
  235    HB2  LYS  29           HB2      LYS  29  -3.089   7.064  -5.409
  236    HB3  LYS  29           HB3      LYS  29  -1.624   8.010  -5.067
  237    HG2  LYS  29           HG2      LYS  29  -1.988   7.862  -2.680
  238    HG3  LYS  29           HG3      LYS  29  -3.591   7.137  -2.912
  239    HD2  LYS  29           HD2      LYS  29  -2.601   5.163  -3.949
  240    HD3  LYS  29           HD3      LYS  29  -0.973   5.848  -3.791
  241    HE2  LYS  29           HE2      LYS  29  -2.557   5.807  -1.264
  242    HE3  LYS  29           HE3      LYS  29  -2.254   4.197  -1.933
  243    HZ1  LYS  29           HZ1      LYS  29   0.137   4.707  -1.944
  244    HZ2  LYS  29           HZ2      LYS  29  -0.134   6.195  -1.288
  245    HZ3  LYS  29           HZ3      LYS  29  -0.470   4.857  -0.421
  246    H    ILE  30           H        ILE  30  -4.782   8.761  -6.992
  247    HA   ILE  30           HA       ILE  30  -3.048  10.351  -8.655
  248    HB   ILE  30           HB       ILE  30  -5.984   9.915  -9.193
  249   HG12  ILE  30          HG12      ILE  30  -5.312   7.731  -8.845
  250   HG13  ILE  30          HG13      ILE  30  -5.284   7.925 -10.578
  251   HG21  ILE  30          HG21      ILE  30  -5.187  10.001 -11.583
  252   HG22  ILE  30          HG22      ILE  30  -4.915  11.500 -10.696
  253   HG23  ILE  30          HG23      ILE  30  -3.558  10.392 -10.974
  254   HD11  ILE  30          HD11      ILE  30  -2.828   8.041  -8.754
  255   HD12  ILE  30          HD12      ILE  30  -3.484   6.612  -9.561
  256   HD13  ILE  30          HD13      ILE  30  -2.852   7.991 -10.539
  257    H    GLN  31           H        GLN  31  -5.935  11.250  -6.789
  258    HA   GLN  31           HA       GLN  31  -6.103  13.955  -7.568
  259    HB2  GLN  31           HB2      GLN  31  -7.755  12.733  -6.111
  260    HB3  GLN  31           HB3      GLN  31  -6.601  12.898  -4.789
  261    HG2  GLN  31           HG2      GLN  31  -6.822  15.531  -5.599
  262    HG3  GLN  31           HG3      GLN  31  -8.432  14.940  -5.943
  263   HE21  GLN  31          HE22      GLN  31  -9.812  14.352  -4.122
  264   HE22  GLN  31          HE21      GLN  31  -9.299  14.594  -2.471
  265    H    ASP  32           H        ASP  32  -4.021  12.345  -5.154
  266    HA   ASP  32           HA       ASP  32  -2.746  14.740  -4.213
  267    HB2  ASP  32           HB2      ASP  32  -2.488  12.784  -2.897
  268    HB3  ASP  32           HB3      ASP  32  -1.830  11.863  -4.229
  269    H    LYS  33           H        LYS  33  -2.099  12.598  -7.063
  270    HA   LYS  33           HA       LYS  33   0.407  14.021  -7.558
  271    HB2  LYS  33           HB2      LYS  33  -0.878  11.802  -9.121
  272    HB3  LYS  33           HB3      LYS  33   0.805  12.341  -9.128
  273    HG2  LYS  33           HG2      LYS  33  -0.018  11.559  -6.398
  274    HG3  LYS  33           HG3      LYS  33  -0.423  10.305  -7.525
  275    HD2  LYS  33           HD2      LYS  33   1.769   9.928  -6.511
  276    HD3  LYS  33           HD3      LYS  33   1.904  10.122  -8.246
  277    HE2  LYS  33           HE2      LYS  33   3.695  11.360  -7.425
  278    HE3  LYS  33           HE3      LYS  33   2.494  12.570  -7.851
  279    HZ1  LYS  33           HZ1      LYS  33   3.130  11.590  -5.103
  280    HZ2  LYS  33           HZ2      LYS  33   3.373  13.094  -5.671
  281    HZ3  LYS  33           HZ3      LYS  33   1.848  12.558  -5.369
  282    H    GLU  34           H        GLU  34  -2.785  13.961  -8.866
  283    HA   GLU  34           HA       GLU  34  -2.033  15.642 -11.189
  284    HB2  GLU  34           HB2      GLU  34  -4.295  13.644 -10.698
  285    HB3  GLU  34           HB3      GLU  34  -4.094  14.579 -12.186
  286    HG2  GLU  34           HG2      GLU  34  -2.311  12.401 -11.085
  287    HG3  GLU  34           HG3      GLU  34  -3.190  12.400 -12.602
  288    H    GLY  35           H        GLY  35  -4.388  15.295  -8.549
  289    HA2  GLY  35           HA2      GLY  35  -5.242  17.196  -7.437
  290    HA3  GLY  35           HA3      GLY  35  -5.191  18.130  -8.933
  291    H    ILE  36           H        ILE  36  -6.512  14.927  -9.385
  292    HA   ILE  36           HA       ILE  36  -9.105  16.248  -9.910
  293    HB   ILE  36           HB       ILE  36  -7.962  13.566 -10.748
  294   HG12  ILE  36          HG12      ILE  36  -8.230  16.154 -12.382
  295   HG13  ILE  36          HG13      ILE  36  -6.718  15.598 -11.672
  296   HG21  ILE  36          HG21      ILE  36 -10.506  13.729 -10.737
  297   HG22  ILE  36          HG22      ILE  36 -10.379  15.091 -11.855
  298   HG23  ILE  36          HG23      ILE  36  -9.828  13.461 -12.337
  299   HD11  ILE  36          HD11      ILE  36  -8.324  14.163 -13.787
  300   HD12  ILE  36          HD12      ILE  36  -6.728  14.930 -13.950
  301   HD13  ILE  36          HD13      ILE  36  -6.909  13.480 -12.923
  302    HA   PRO  37           HA       PRO  37 -10.508  14.061  -6.223
  303    HB2  PRO  37           HB2      PRO  37 -13.285  14.552  -6.580
  304    HB3  PRO  37           HB3      PRO  37 -12.102  15.563  -5.692
  305    HG2  PRO  37           HG2      PRO  37 -13.354  16.052  -8.303
  306    HG3  PRO  37           HG3      PRO  37 -12.480  17.180  -7.232
  307    HD2  PRO  37           HD2      PRO  37 -11.491  15.898  -9.637
  308    HD3  PRO  37           HD3      PRO  37 -10.611  16.983  -8.520
  309    HA   PRO  38           HA       PRO  38 -11.237  10.154  -7.885
  310    HB2  PRO  38           HB2      PRO  38 -12.634   8.806  -5.931
  311    HB3  PRO  38           HB3      PRO  38 -10.868   9.145  -5.889
  312    HG2  PRO  38           HG2      PRO  38 -13.110  10.637  -4.509
  313    HG3  PRO  38           HG3      PRO  38 -11.505  10.185  -3.851
  314    HD2  PRO  38           HD2      PRO  38 -11.994  12.678  -4.776
  315    HD3  PRO  38           HD3      PRO  38 -10.414  11.875  -5.087
  316    H    ASP  39           H        ASP  39 -14.238  11.618  -6.632
  317    HA   ASP  39           HA       ASP  39 -15.844   9.696  -8.116
  318    HB2  ASP  39           HB2      ASP  39 -16.729  10.848  -6.129
  319    HB3  ASP  39           HB3      ASP  39 -16.527  12.421  -6.909
  320    H    GLN  40           H        GLN  40 -14.127  12.555  -8.913
  321    HA   GLN  40           HA       GLN  40 -15.642  13.049 -11.412
  322    HB2  GLN  40           HB2      GLN  40 -14.781  14.849  -9.880
  323    HB3  GLN  40           HB3      GLN  40 -13.130  14.347 -10.226
  324    HG2  GLN  40           HG2      GLN  40 -13.172  15.144 -12.399
  325    HG3  GLN  40           HG3      GLN  40 -14.940  15.136 -12.511
  326   HE21  GLN  40          HE22      GLN  40 -16.085  16.692 -10.983
  327   HE22  GLN  40          HE21      GLN  40 -15.352  18.285 -10.762
  328    H    GLN  41           H        GLN  41 -13.335  10.800 -10.448
  329    HA   GLN  41           HA       GLN  41 -11.691  10.956 -12.930
  330    HB2  GLN  41           HB2      GLN  41 -10.909  11.508 -10.536
  331    HB3  GLN  41           HB3      GLN  41 -11.227   9.831 -10.123
  332    HG2  GLN  41           HG2      GLN  41  -9.558   9.307 -12.043
  333    HG3  GLN  41           HG3      GLN  41  -9.177  11.047 -11.923
  334   HE21  GLN  41          HE22      GLN  41  -8.939  11.645  -9.210
  335   HE22  GLN  41          HE21      GLN  41  -7.917  10.482  -8.414
  336    H    ARG  42           H        ARG  42 -11.554   8.978 -14.170
  337    HA   ARG  42           HA       ARG  42 -12.711   6.562 -12.818
  338    HB2  ARG  42           HB2      ARG  42 -13.386   7.651 -15.385
  339    HB3  ARG  42           HB3      ARG  42 -12.470   6.106 -15.625
  340    HG2  ARG  42           HG2      ARG  42 -14.004   4.799 -14.738
  341    HG3  ARG  42           HG3      ARG  42 -14.619   6.033 -13.597
  342    HD2  ARG  42           HD2      ARG  42 -15.786   7.158 -15.481
  343    HD3  ARG  42           HD3      ARG  42 -15.236   5.868 -16.580
  344    HE   ARG  42           HE       ARG  42 -16.445   4.536 -14.436
  345   HH11  ARG  42          HH21      ARG  42 -17.589   6.873 -16.887
  346   HH12  ARG  42          HH22      ARG  42 -19.218   6.346 -16.826
  347   HH21  ARG  42          HH11      ARG  42 -18.587   3.776 -14.412
  348   HH22  ARG  42          HH12      ARG  42 -19.793   4.509 -15.419
  349    H    LEU  43           H        LEU  43 -11.664   4.545 -13.319
  350    HA   LEU  43           HA       LEU  43  -8.808   4.861 -14.082
  351    HB2  LEU  43           HB2      LEU  43  -9.774   4.279 -11.474
  352    HB3  LEU  43           HB3      LEU  43  -9.437   2.694 -12.157
  353    HG   LEU  43           HG       LEU  43  -7.126   3.406 -12.697
  354   HD11  LEU  43          HD11      LEU  43  -7.377   5.882 -12.940
  355   HD12  LEU  43          HD12      LEU  43  -7.971   6.017 -11.286
  356   HD13  LEU  43          HD13      LEU  43  -6.285   5.548 -11.596
  357   HD21  LEU  43          HD21      LEU  43  -7.930   3.956  -9.781
  358   HD22  LEU  43          HD22      LEU  43  -7.715   2.329 -10.494
  359   HD23  LEU  43          HD23      LEU  43  -6.356   3.441 -10.396
  360    H    ILE  44           H        ILE  44  -8.281   3.597 -15.627
  361    HA   ILE  44           HA       ILE  44  -9.894   1.167 -16.283
  362    HB   ILE  44           HB       ILE  44  -8.643   3.167 -18.236
  363   HG12  ILE  44          HG12      ILE  44 -11.530   2.689 -17.368
  364   HG13  ILE  44          HG13      ILE  44 -10.551   4.123 -17.064
  365   HG21  ILE  44          HG21      ILE  44  -9.767   1.941 -20.034
  366   HG22  ILE  44          HG22      ILE  44  -8.533   0.983 -19.270
  367   HG23  ILE  44          HG23      ILE  44 -10.286   0.700 -18.904
  368   HD11  ILE  44          HD11      ILE  44 -11.988   4.732 -18.700
  369   HD12  ILE  44          HD12      ILE  44 -10.423   4.483 -19.531
  370   HD13  ILE  44          HD13      ILE  44 -11.724   3.239 -19.654
  371    H    PHE  45           H        PHE  45  -8.686  -0.570 -17.242
  372    HA   PHE  45           HA       PHE  45  -5.714  -0.332 -17.195
  373    HB2  PHE  45           HB2      PHE  45  -6.267  -1.132 -14.979
  374    HB3  PHE  45           HB3      PHE  45  -7.467  -2.258 -15.635
  375    HD1  PHE  45           HD1      PHE  45  -3.861  -1.539 -16.316
  376    HD2  PHE  45           HD2      PHE  45  -6.888  -4.515 -15.623
  377    HE1  PHE  45           HE1      PHE  45  -2.126  -3.318 -16.422
  378    HE2  PHE  45           HE2      PHE  45  -5.165  -6.287 -15.632
  379    HZ   PHE  45           HZ       PHE  45  -2.784  -5.703 -15.977
  380    H    ALA  46           H        ALA  46  -5.174  -1.101 -19.186
  381    HA   ALA  46           HA       ALA  46  -5.303  -2.176 -21.160
  382    HB1  ALA  46           HB1      ALA  46  -4.974  -4.627 -20.787
  383    HB2  ALA  46           HB2      ALA  46  -4.135  -3.668 -19.543
  384    HB3  ALA  46           HB3      ALA  46  -5.688  -4.448 -19.157
  385    H    GLY  47           H        GLY  47  -7.722  -1.122 -20.719
  386    HA2  GLY  47           HA2      GLY  47  -9.556  -1.057 -22.100
  387    HA3  GLY  47           HA3      GLY  47  -9.425  -2.777 -22.456
  388    H    LYS  48           H        LYS  48  -9.319  -2.358 -19.082
  389    HA   LYS  48           HA       LYS  48 -12.235  -2.966 -18.754
  390    HB2  LYS  48           HB2      LYS  48  -9.716  -3.861 -17.262
  391    HB3  LYS  48           HB3      LYS  48 -11.299  -3.907 -16.495
  392    HG2  LYS  48           HG2      LYS  48 -12.195  -5.391 -18.096
  393    HG3  LYS  48           HG3      LYS  48 -10.763  -5.233 -19.158
  394    HD2  LYS  48           HD2      LYS  48  -9.381  -6.319 -17.386
  395    HD3  LYS  48           HD3      LYS  48 -10.848  -6.523 -16.394
  396    HE2  LYS  48           HE2      LYS  48 -11.886  -7.854 -18.243
  397    HE3  LYS  48           HE3      LYS  48 -10.421  -7.637 -19.207
  398    HZ1  LYS  48           HZ1      LYS  48 -10.563  -9.100 -16.624
  399    HZ2  LYS  48           HZ2      LYS  48 -10.454  -9.785 -18.104
  400    HZ3  LYS  48           HZ3      LYS  48  -9.201  -8.911 -17.530
  401    H    GLN  49           H        GLN  49 -13.323  -1.371 -17.761
  402    HA   GLN  49           HA       GLN  49 -12.048   0.859 -16.328
  403    HB2  GLN  49           HB2      GLN  49 -14.375   0.738 -17.566
  404    HB3  GLN  49           HB3      GLN  49 -14.918  -0.191 -16.156
  405    HG2  GLN  49           HG2      GLN  49 -14.093   1.875 -14.779
  406    HG3  GLN  49           HG3      GLN  49 -14.117   2.717 -16.335
  407   HE21  GLN  49          HE22      GLN  49 -16.512   1.572 -17.517
  408   HE22  GLN  49          HE21      GLN  49 -17.865   2.017 -16.509
  409    H    LEU  50           H        LEU  50 -11.946   1.022 -14.064
  410    HA   LEU  50           HA       LEU  50 -12.474  -1.477 -12.499
  411    HB2  LEU  50           HB2      LEU  50 -10.513   0.575 -11.567
  412    HB3  LEU  50           HB3      LEU  50 -10.562  -1.172 -11.272
  413    HG   LEU  50           HG       LEU  50  -9.630   0.193 -13.802
  414   HD11  LEU  50          HD11      LEU  50  -8.023  -1.231 -11.649
  415   HD12  LEU  50          HD12      LEU  50  -7.391  -0.493 -13.140
  416   HD13  LEU  50          HD13      LEU  50  -8.106   0.524 -11.892
  417   HD21  LEU  50          HD21      LEU  50 -10.618  -2.344 -13.750
  418   HD22  LEU  50          HD22      LEU  50  -9.345  -1.804 -14.818
  419   HD23  LEU  50          HD23      LEU  50  -8.928  -2.659 -13.329
  420    H    GLU  51           H        GLU  51 -13.526  -1.138 -10.438
  421    HA   GLU  51           HA       GLU  51 -14.719   1.570 -10.189
  422    HB2  GLU  51           HB2      GLU  51 -16.764   0.628  -9.410
  423    HB3  GLU  51           HB3      GLU  51 -16.346  -0.098 -10.966
  424    HG2  GLU  51           HG2      GLU  51 -15.501  -2.104  -9.760
  425    HG3  GLU  51           HG3      GLU  51 -16.000  -1.350  -8.221
  426    H    ASP  52           H        ASP  52 -15.310   2.213  -8.002
  427    HA   ASP  52           HA       ASP  52 -12.926   2.450  -6.593
  428    HB2  ASP  52           HB2      ASP  52 -14.042   3.825  -5.123
  429    HB3  ASP  52           HB3      ASP  52 -14.962   3.984  -6.608
  430    H    GLY  53           H        GLY  53 -15.569   0.186  -6.054
  431    HA2  GLY  53           HA2      GLY  53 -14.768  -0.645  -3.433
  432    HA3  GLY  53           HA3      GLY  53 -15.947  -1.424  -4.507
  433    H    ARG  54           H        ARG  54 -13.169  -1.285  -6.361
  434    HA   ARG  54           HA       ARG  54 -12.542  -4.132  -5.681
  435    HB2  ARG  54           HB2      ARG  54 -12.407  -2.498  -8.234
  436    HB3  ARG  54           HB3      ARG  54 -11.916  -4.205  -8.083
  437    HG2  ARG  54           HG2      ARG  54 -14.690  -3.042  -7.827
  438    HG3  ARG  54           HG3      ARG  54 -14.083  -4.074  -9.135
  439    HD2  ARG  54           HD2      ARG  54 -13.877  -5.917  -7.380
  440    HD3  ARG  54           HD3      ARG  54 -14.681  -4.819  -6.254
  441    HE   ARG  54           HE       ARG  54 -16.688  -5.131  -7.297
  442   HH11  ARG  54          HH21      ARG  54 -14.159  -6.656  -9.322
  443   HH12  ARG  54          HH22      ARG  54 -15.303  -7.403 -10.383
  444   HH21  ARG  54          HH11      ARG  54 -18.182  -6.174  -8.692
  445   HH22  ARG  54          HH12      ARG  54 -17.631  -7.154  -9.995
  446    H    THR  55           H        THR  55 -10.239  -4.680  -6.638
  447    HA   THR  55           HA       THR  55  -8.352  -2.583  -5.668
  448    HB   THR  55           HB       THR  55  -7.118  -4.483  -4.700
  449    HG1  THR  55           HG1      THR  55  -7.877  -6.489  -4.867
  450   HG21  THR  55          HG21      THR  55  -8.530  -4.894  -2.706
  451   HG22  THR  55          HG22      THR  55  -8.449  -3.194  -3.174
  452   HG23  THR  55          HG23      THR  55  -9.907  -4.152  -3.538
  453    H    LEU  56           H        LEU  56  -6.091  -3.234  -6.220
  454    HA   LEU  56           HA       LEU  56  -5.996  -3.426  -9.121
  455    HB2  LEU  56           HB2      LEU  56  -3.682  -3.793  -7.160
  456    HB3  LEU  56           HB3      LEU  56  -3.565  -3.346  -8.845
  457    HG   LEU  56           HG       LEU  56  -4.739  -1.662  -6.611
  458   HD11  LEU  56          HD11      LEU  56  -2.855  -0.175  -7.141
  459   HD12  LEU  56          HD12      LEU  56  -2.310  -1.780  -6.629
  460   HD13  LEU  56          HD13      LEU  56  -2.255  -1.351  -8.351
  461   HD21  LEU  56          HD21      LEU  56  -4.529  -1.121  -9.629
  462   HD22  LEU  56          HD22      LEU  56  -6.013  -1.181  -8.649
  463   HD23  LEU  56          HD23      LEU  56  -4.854   0.130  -8.431
  464    H    SER  57           H        SER  57  -5.390  -5.731  -6.496
  465    HA   SER  57           HA       SER  57  -4.713  -7.999  -8.006
  466    HB2  SER  57           HB2      SER  57  -5.626  -9.166  -5.949
  467    HB3  SER  57           HB3      SER  57  -4.329  -7.965  -5.694
  468    HG   SER  57           HG       SER  57  -6.085  -7.805  -4.170
  469    H    ASP  58           H        ASP  58  -7.957  -6.555  -7.362
  470    HA   ASP  58           HA       ASP  58  -9.455  -8.892  -8.110
  471    HB2  ASP  58           HB2      ASP  58 -10.375  -6.960  -6.842
  472    HB3  ASP  58           HB3      ASP  58 -10.217  -5.964  -8.293
  473    H    TYR  59           H        TYR  59  -7.583  -6.613  -9.813
  474    HA   TYR  59           HA       TYR  59  -8.598  -7.517 -12.467
  475    HB2  TYR  59           HB2      TYR  59  -7.403  -4.887 -11.594
  476    HB3  TYR  59           HB3      TYR  59  -7.637  -5.321 -13.288
  477    HD1  TYR  59           HD2      TYR  59  -9.972  -5.814 -14.121
  478    HD2  TYR  59           HD1      TYR  59  -9.235  -3.980 -10.258
  479    HE1  TYR  59           HE2      TYR  59 -12.329  -5.072 -14.028
  480    HE2  TYR  59           HE1      TYR  59 -11.578  -3.360 -10.107
  481    HH   TYR  59           HH       TYR  59 -13.999  -4.041 -12.697
  482    H    ASN  60           H        ASN  60  -6.385  -8.300 -10.378
  483    HA   ASN  60           HA       ASN  60  -4.500  -9.446 -10.344
  484    HB2  ASN  60           HB2      ASN  60  -5.912 -10.603 -12.316
  485    HB3  ASN  60           HB3      ASN  60  -4.537 -10.073 -13.278
  486   HD21  ASN  60          HD22      ASN  60  -5.453 -11.758 -10.239
  487   HD22  ASN  60          HD21      ASN  60  -4.109 -12.882 -10.227
  488    H    ILE  61           H        ILE  61  -4.430  -6.573 -11.187
  489    HA   ILE  61           HA       ILE  61  -1.968  -6.044 -12.600
  490    HB   ILE  61           HB       ILE  61  -3.637  -4.626 -10.518
  491   HG12  ILE  61          HG12      ILE  61  -3.464  -3.743 -13.396
  492   HG13  ILE  61          HG13      ILE  61  -4.546  -5.073 -12.966
  493   HG21  ILE  61          HG21      ILE  61  -1.391  -3.410 -12.181
  494   HG22  ILE  61          HG22      ILE  61  -2.468  -2.481 -11.139
  495   HG23  ILE  61          HG23      ILE  61  -1.359  -3.643 -10.422
  496   HD11  ILE  61          HD11      ILE  61  -5.747  -2.957 -12.927
  497   HD12  ILE  61          HD12      ILE  61  -5.683  -3.692 -11.313
  498   HD13  ILE  61          HD13      ILE  61  -4.629  -2.339 -11.669
  499    H    GLN  62           H        GLN  62   0.084  -5.792 -11.684
  500    HA   GLN  62           HA       GLN  62   0.486  -6.653  -8.867
  501    HB2  GLN  62           HB2      GLN  62   2.176  -7.408 -11.266
  502    HB3  GLN  62           HB3      GLN  62   2.477  -7.877  -9.586
  503    HG2  GLN  62           HG2      GLN  62   0.055  -8.627 -11.247
  504    HG3  GLN  62           HG3      GLN  62   1.419  -9.689 -10.920
  505   HE21  GLN  62          HE22      GLN  62  -1.477 -10.029 -10.342
  506   HE22  GLN  62          HE21      GLN  62  -1.574 -10.345  -8.617
  507    H    LYS  63           H        LYS  63   3.180  -6.059  -8.657
  508    HA   LYS  63           HA       LYS  63   3.493  -3.271  -8.720
  509    HB2  LYS  63           HB2      LYS  63   5.815  -3.730  -8.239
  510    HB3  LYS  63           HB3      LYS  63   4.866  -5.004  -7.429
  511    HG2  LYS  63           HG2      LYS  63   5.319  -6.428  -9.503
  512    HG3  LYS  63           HG3      LYS  63   6.505  -5.213  -9.980
  513    HD2  LYS  63           HD2      LYS  63   6.499  -6.721  -7.344
  514    HD3  LYS  63           HD3      LYS  63   7.430  -7.225  -8.750
  515    HE2  LYS  63           HE2      LYS  63   7.865  -4.430  -7.647
  516    HE3  LYS  63           HE3      LYS  63   8.517  -5.812  -6.761
  517    HZ1  LYS  63           HZ1      LYS  63   9.754  -6.465  -8.717
  518    HZ2  LYS  63           HZ2      LYS  63   9.130  -5.255  -9.623
  519    HZ3  LYS  63           HZ3      LYS  63  10.114  -4.922  -8.346
  520    H    GLU  64           H        GLU  64   4.955  -2.065  -9.922
  521    HA   GLU  64           HA       GLU  64   5.524  -1.064 -11.774
  522    HB2  GLU  64           HB2      GLU  64   7.589  -1.826 -12.543
  523    HB3  GLU  64           HB3      GLU  64   7.404  -2.640 -10.996
  524    HG2  GLU  64           HG2      GLU  64   6.666  -4.703 -12.363
  525    HG3  GLU  64           HG3      GLU  64   7.231  -3.801 -13.778
  526    H    SER  65           H        SER  65   3.071  -1.649 -12.033
  527    HA   SER  65           HA       SER  65   2.679  -2.770 -14.806
  528    HB2  SER  65           HB2      SER  65   0.885  -3.082 -12.381
  529    HB3  SER  65           HB3      SER  65   0.443  -3.532 -14.030
  530    HG   SER  65           HG       SER  65   2.678  -4.597 -12.609
  531    H    THR  66           H        THR  66   1.053  -1.762 -16.024
  532    HA   THR  66           HA       THR  66   0.879   1.081 -15.301
  533    HB   THR  66           HB       THR  66   0.527  -0.210 -18.041
  534    HG1  THR  66           HG1      THR  66   2.687   0.091 -18.350
  535   HG21  THR  66          HG21      THR  66   1.303   2.662 -17.358
  536   HG22  THR  66          HG22      THR  66   1.090   1.968 -18.978
  537   HG23  THR  66          HG23      THR  66  -0.306   2.156 -17.922
  538    H    LEU  67           H        LEU  67  -0.978   2.223 -15.452
  539    HA   LEU  67           HA       LEU  67  -3.611   0.864 -15.816
  540    HB2  LEU  67           HB2      LEU  67  -2.359   1.944 -13.449
  541    HB3  LEU  67           HB3      LEU  67  -3.493   3.178 -14.013
  542    HG   LEU  67           HG       LEU  67  -5.303   1.518 -13.989
  543   HD11  LEU  67          HD11      LEU  67  -3.189  -0.246 -12.606
  544   HD12  LEU  67          HD12      LEU  67  -4.941  -0.600 -12.824
  545   HD13  LEU  67          HD13      LEU  67  -3.849  -0.551 -14.210
  546   HD21  LEU  67          HD21      LEU  67  -5.526   1.476 -11.553
  547   HD22  LEU  67          HD22      LEU  67  -3.791   1.796 -11.358
  548   HD23  LEU  67          HD23      LEU  67  -4.839   3.031 -12.089
  549    H    HIS  68           H        HIS  68  -5.353   2.801 -15.948
  550    HA   HIS  68           HA       HIS  68  -4.175   5.073 -17.511
  551    HB2  HIS  68           HB2      HIS  68  -6.493   3.284 -18.126
  552    HB3  HIS  68           HB3      HIS  68  -6.522   4.957 -18.673
  553    HD2  HIS  68           HD2      HIS  68  -6.613   4.194 -21.144
  554    HE1  HIS  68           HE1      HIS  68  -2.757   2.431 -21.459
  555    H    LEU  69           H        LEU  69  -5.116   7.185 -16.996
  556    HA   LEU  69           HA       LEU  69  -7.291   7.219 -14.926
  557    HB2  LEU  69           HB2      LEU  69  -5.169   8.251 -14.282
  558    HB3  LEU  69           HB3      LEU  69  -5.031   9.028 -15.853
  559    HG   LEU  69           HG       LEU  69  -5.369  10.512 -13.972
  560   HD11  LEU  69          HD11      LEU  69  -6.691  12.114 -15.055
  561   HD12  LEU  69          HD12      LEU  69  -5.902  11.209 -16.341
  562   HD13  LEU  69          HD13      LEU  69  -7.619  10.926 -15.955
  563   HD21  LEU  69          HD21      LEU  69  -7.367  10.800 -12.916
  564   HD22  LEU  69          HD22      LEU  69  -8.265   9.668 -13.982
  565   HD23  LEU  69          HD23      LEU  69  -7.055   9.056 -12.812
  566    H    VAL  70           H        VAL  70  -9.249   8.096 -15.711
  567    HA   VAL  70           HA       VAL  70  -9.068   9.939 -18.057
  568    HB   VAL  70           HB       VAL  70 -10.869   9.101 -19.205
  569   HG11  VAL  70          HG11      VAL  70  -9.698   6.456 -18.275
  570   HG12  VAL  70          HG12      VAL  70 -10.369   6.875 -19.877
  571   HG13  VAL  70          HG13      VAL  70  -8.822   7.565 -19.319
  572   HG21  VAL  70          HG21      VAL  70 -12.405   7.220 -18.525
  573   HG22  VAL  70          HG22      VAL  70 -11.569   7.299 -16.959
  574   HG23  VAL  70          HG23      VAL  70 -12.578   8.664 -17.552
  575    H    LEU  71           H        LEU  71 -11.106  11.258 -18.168
  576    HA   LEU  71           HA       LEU  71 -11.799  12.166 -15.416
  577    HB2  LEU  71           HB2      LEU  71 -10.608  13.643 -17.094
  578    HB3  LEU  71           HB3      LEU  71 -12.033  13.511 -18.119
  579    HG   LEU  71           HG       LEU  71 -11.558  15.603 -16.629
  580   HD11  LEU  71          HD11      LEU  71 -14.263  14.351 -17.259
  581   HD12  LEU  71          HD12      LEU  71 -14.063  16.017 -16.640
  582   HD13  LEU  71          HD13      LEU  71 -13.346  15.540 -18.184
  583   HD21  LEU  71          HD21      LEU  71 -11.639  14.277 -14.434
  584   HD22  LEU  71          HD22      LEU  71 -12.621  15.740 -14.556
  585   HD23  LEU  71          HD23      LEU  71 -13.395  14.161 -14.700
  586    H    ARG  72           H        ARG  72 -13.848  11.806 -14.841
  587    HA   ARG  72           HA       ARG  72 -15.859  11.197 -16.958
  588    HB2  ARG  72           HB2      ARG  72 -16.870   9.573 -15.625
  589    HB3  ARG  72           HB3      ARG  72 -15.142   9.276 -15.439
  590    HG2  ARG  72           HG2      ARG  72 -15.155  10.202 -13.176
  591    HG3  ARG  72           HG3      ARG  72 -16.799  10.815 -13.364
  592    HD2  ARG  72           HD2      ARG  72 -17.317   8.252 -13.868
  593    HD3  ARG  72           HD3      ARG  72 -15.877   8.042 -12.851
  594    HE   ARG  72           HE       ARG  72 -17.108   9.613 -11.206
  595   HH11  ARG  72          HH11      ARG  72 -18.858   7.213 -13.207
  596   HH12  ARG  72          HH12      ARG  72 -20.153   7.052 -12.074
  597   HH21  ARG  72          HH21      ARG  72 -18.806   9.310  -9.684
  598   HH22  ARG  72          HH22      ARG  72 -20.123   8.271 -10.078
  599    H    LEU  73           H        LEU  73 -15.103  13.787 -15.556
  600    HA   LEU  73           HA       LEU  73 -16.182  15.716 -15.073
  601    HB2  LEU  73           HB2      LEU  73 -18.698  14.451 -16.194
  602    HB3  LEU  73           HB3      LEU  73 -18.252  16.135 -16.111
  603    HG   LEU  73           HG       LEU  73 -16.273  15.450 -17.716
  604   HD11  LEU  73          HD11      LEU  73 -17.222  13.665 -19.382
  605   HD12  LEU  73          HD12      LEU  73 -16.347  13.111 -18.005
  606   HD13  LEU  73          HD13      LEU  73 -18.132  13.055 -18.003
  607   HD21  LEU  73          HD21      LEU  73 -19.201  15.749 -18.437
  608   HD22  LEU  73          HD22      LEU  73 -17.986  17.014 -18.245
  609   HD23  LEU  73          HD23      LEU  73 -17.862  15.897 -19.601
  610    H    ARG  74           H        ARG  74 -17.756  12.999 -13.393
  611    HA   ARG  74           HA       ARG  74 -19.867  14.545 -12.210
  612    HB2  ARG  74           HB2      ARG  74 -18.528  11.930 -11.383
  613    HB3  ARG  74           HB3      ARG  74 -19.735  12.674 -10.366
  614    HG2  ARG  74           HG2      ARG  74 -20.811  10.999 -11.627
  615    HG3  ARG  74           HG3      ARG  74 -21.420  12.575 -12.173
  616    HD2  ARG  74           HD2      ARG  74 -20.140  12.460 -14.204
  617    HD3  ARG  74           HD3      ARG  74 -19.171  11.104 -13.561
  618    HE   ARG  74           HE       ARG  74 -21.937  10.378 -13.727
  619   HH11  ARG  74          HH21      ARG  74 -19.133  11.006 -15.803
  620   HH12  ARG  74          HH22      ARG  74 -19.372   9.619 -16.834
  621   HH21  ARG  74          HH11      ARG  74 -22.377   8.601 -15.215
  622   HH22  ARG  74          HH12      ARG  74 -21.268   8.273 -16.519
  623    H    GLY  75           H        GLY  75 -20.034  14.845  -9.708
  624    HA2  GLY  75           HA2      GLY  75 -17.974  15.075  -7.976
  625    HA3  GLY  75           HA3      GLY  75 -17.864  16.616  -8.846
  626    H    GLY  76           H        GLY  76 -20.874  16.715  -9.258
  627    HA2  GLY  76           HA2      GLY  76 -22.284  16.642  -6.819
  628    HA3  GLY  76           HA3      GLY  76 -21.662  18.283  -7.081
  629    H1   GLY  -3           H1       GLY  -3 -12.002  24.793 -15.131
  630    H2   GLY  -3           H2       GLY  -3 -10.453  25.316 -15.278
  631    H3   GLY  -3           H3       GLY  -3 -10.847  23.762 -15.654
  632    HA2  GLY  -3           HA2      GLY  -3 -11.791  26.160 -17.087
  633    HA3  GLY  -3           HA3      GLY  -3 -10.526  25.068 -17.668
  634    H    HIS  -2           H        HIS  -2 -11.895  24.841 -19.590
  635    HA   HIS  -2           HA       HIS  -2 -14.487  23.578 -19.445
  636    HB2  HIS  -2           HB2      HIS  -2 -12.488  23.902 -21.721
  637    HB3  HIS  -2           HB3      HIS  -2 -14.095  23.212 -21.915
  638    HD2  HIS  -2           HD2      HIS  -2 -12.329  26.531 -21.858
  639    HE1  HIS  -2           HE1      HIS  -2 -16.488  27.480 -21.749
  640    H    MET  -1           H        MET  -1 -14.970  21.467 -20.355
  641    HA   MET  -1           HA       MET  -1 -13.392  19.306 -19.227
  642    HB2  MET  -1           HB2      MET  -1 -15.785  19.355 -21.109
  643    HB3  MET  -1           HB3      MET  -1 -15.131  17.889 -20.368
  644    HG2  MET  -1           HG2      MET  -1 -16.226  20.270 -18.812
  645    HG3  MET  -1           HG3      MET  -1 -17.136  18.820 -19.189
  646    HE1  MET  -1           HE1      MET  -1 -16.607  20.170 -16.255
  647    HE2  MET  -1           HE2      MET  -1 -17.667  18.765 -16.477
  648    HE3  MET  -1           HE3      MET  -1 -16.373  18.717 -15.257
  649    H    PHE 679           H        PHE 679 -12.587  17.456 -20.570
  650    HA   PHE 679           HA       PHE 679 -10.924  16.782 -21.927
  651    HB2  PHE 679           HB2      PHE 679 -12.643  16.288 -23.358
  652    HB3  PHE 679           HB3      PHE 679 -12.806  17.937 -23.968
  653    HD1  PHE 679           HD1      PHE 679 -10.554  14.965 -23.892
  654    HD2  PHE 679           HD2      PHE 679 -11.638  18.580 -25.957
  655    HE1  PHE 679           HE1      PHE 679  -9.166  14.265 -25.845
  656    HE2  PHE 679           HE2      PHE 679 -10.241  17.896 -27.897
  657    HZ   PHE 679           HZ       PHE 679  -9.004  15.733 -27.840
  658    HA   PRO 680           HA       PRO 680  -8.600  20.791 -21.889
  659    HB2  PRO 680           HB2      PRO 680  -7.180  20.442 -19.593
  660    HB3  PRO 680           HB3      PRO 680  -8.868  21.022 -19.542
  661    HG2  PRO 680           HG2      PRO 680  -7.925  18.128 -19.313
  662    HG3  PRO 680           HG3      PRO 680  -8.909  19.046 -18.108
  663    HD2  PRO 680           HD2      PRO 680 -10.019  17.459 -19.975
  664    HD3  PRO 680           HD3      PRO 680 -10.761  19.032 -19.554
  665    H    SER 681           H        SER 681  -6.005  20.667 -21.571
  666    HA   SER 681           HA       SER 681  -4.825  18.852 -23.295
  667    HB2  SER 681           HB2      SER 681  -3.470  20.217 -20.944
  668    HB3  SER 681           HB3      SER 681  -2.751  19.747 -22.495
  669    HG   SER 681           HG       SER 681  -3.255  21.983 -22.447
  670    H    ASP 682           H        ASP 682  -5.880  18.118 -20.067
  671    HA   ASP 682           HA       ASP 682  -4.171  15.988 -19.315
  672    HB2  ASP 682           HB2      ASP 682  -6.029  17.094 -17.958
  673    HB3  ASP 682           HB3      ASP 682  -7.158  16.105 -18.918
  674    H    ILE 683           H        ILE 683  -5.932  16.075 -22.159
  675    HA   ILE 683           HA       ILE 683  -6.081  13.114 -22.245
  676    HB   ILE 683           HB       ILE 683  -8.117  14.852 -23.570
  677   HG12  ILE 683          HG12      ILE 683  -8.359  15.602 -21.189
  678   HG13  ILE 683          HG13      ILE 683  -9.742  14.739 -21.822
  679   HG21  ILE 683          HG21      ILE 683  -9.377  12.946 -23.601
  680   HG22  ILE 683          HG22      ILE 683  -7.740  12.353 -23.934
  681   HG23  ILE 683          HG23      ILE 683  -8.436  12.180 -22.306
  682   HD11  ILE 683          HD11      ILE 683  -9.232  14.282 -19.456
  683   HD12  ILE 683          HD12      ILE 683  -9.406  12.860 -20.467
  684   HD13  ILE 683          HD13      ILE 683  -7.787  13.377 -19.958
  685    H    ASP 684           H        ASP 684  -5.358  12.261 -24.179
  686    HA   ASP 684           HA       ASP 684  -4.711  13.969 -26.497
  687    HB2  ASP 684           HB2      ASP 684  -2.669  13.879 -25.179
  688    HB3  ASP 684           HB3      ASP 684  -2.799  12.128 -24.990
  689    HA   PRO 685           HA       PRO 685  -6.785  10.685 -28.591
  690    HB2  PRO 685           HB2      PRO 685  -4.531  10.964 -30.596
  691    HB3  PRO 685           HB3      PRO 685  -6.280  10.728 -30.902
  692    HG2  PRO 685           HG2      PRO 685  -5.243  13.217 -31.007
  693    HG3  PRO 685           HG3      PRO 685  -6.800  12.938 -30.162
  694    HD2  PRO 685           HD2      PRO 685  -4.055  13.317 -28.979
  695    HD3  PRO 685           HD3      PRO 685  -5.644  13.911 -28.399
  696    H    GLN 686           H        GLN 686  -3.187  10.130 -28.259
  697    HA   GLN 686           HA       GLN 686  -3.360   7.456 -29.237
  698    HB2  GLN 686           HB2      GLN 686  -1.280   8.844 -29.080
  699    HB3  GLN 686           HB3      GLN 686  -1.299   8.631 -27.318
  700    HG2  GLN 686           HG2      GLN 686  -1.105   6.158 -27.656
  701    HG3  GLN 686           HG3      GLN 686  -1.083   6.403 -29.404
  702   HE21  GLN 686          HE22      GLN 686   0.953   6.692 -30.368
  703   HE22  GLN 686          HE21      GLN 686   2.414   7.044 -29.476
  704    H    VAL 687           H        VAL 687  -3.131   8.627 -25.807
  705    HA   VAL 687           HA       VAL 687  -3.512   6.014 -24.666
  706    HB   VAL 687           HB       VAL 687  -4.399   8.578 -23.335
  707   HG11  VAL 687          HG11      VAL 687  -4.776   6.481 -22.126
  708   HG12  VAL 687          HG12      VAL 687  -3.108   5.994 -22.340
  709   HG13  VAL 687          HG13      VAL 687  -3.506   7.398 -21.308
  710   HG21  VAL 687          HG21      VAL 687  -2.354   9.366 -24.146
  711   HG22  VAL 687          HG22      VAL 687  -2.032   8.824 -22.505
  712   HG23  VAL 687          HG23      VAL 687  -1.528   7.808 -23.883
  713    H    PHE 688           H        PHE 688  -5.648   8.582 -25.823
  714    HA   PHE 688           HA       PHE 688  -7.948   7.763 -24.377
  715    HB2  PHE 688           HB2      PHE 688  -7.440   9.924 -25.008
  716    HB3  PHE 688           HB3      PHE 688  -7.428   9.543 -26.736
  717    HD1  PHE 688           HD2      PHE 688 -10.032   8.641 -24.123
  718    HD2  PHE 688           HD1      PHE 688  -9.141  10.653 -27.836
  719    HE1  PHE 688           HE2      PHE 688 -12.440   9.104 -24.457
  720    HE2  PHE 688           HE1      PHE 688 -11.558  11.071 -28.175
  721    HZ   PHE 688           HZ       PHE 688 -13.204  10.289 -26.489
  722    H    TYR 689           H        TYR 689  -6.626   6.962 -27.636
  723    HA   TYR 689           HA       TYR 689  -8.767   5.142 -28.326
  724    HB2  TYR 689           HB2      TYR 689  -5.922   5.448 -29.322
  725    HB3  TYR 689           HB3      TYR 689  -7.148   4.442 -30.089
  726    HD1  TYR 689           HD1      TYR 689  -9.401   6.798 -29.585
  727    HD2  TYR 689           HD2      TYR 689  -5.517   6.546 -31.471
  728    HE1  TYR 689           HE1      TYR 689  -9.991   8.680 -31.044
  729    HE2  TYR 689           HE2      TYR 689  -6.103   8.436 -32.939
  730    HH   TYR 689           HH       TYR 689  -7.755  10.008 -33.534
  731    H    GLU 690           H        GLU 690  -5.792   4.857 -26.414
  732    HA   GLU 690           HA       GLU 690  -5.418   2.047 -26.468
  733    HB2  GLU 690           HB2      GLU 690  -3.975   4.036 -25.640
  734    HB3  GLU 690           HB3      GLU 690  -4.819   3.764 -24.130
  735    HG2  GLU 690           HG2      GLU 690  -2.698   2.630 -24.076
  736    HG3  GLU 690           HG3      GLU 690  -3.931   1.382 -24.169
  737    H    LEU 691           H        LEU 691  -8.248   3.436 -25.425
  738    HA   LEU 691           HA       LEU 691  -8.747   1.402 -23.302
  739    HB2  LEU 691           HB2      LEU 691  -9.562   3.024 -21.844
  740    HB3  LEU 691           HB3      LEU 691  -8.209   3.784 -22.585
  741    HG   LEU 691           HG       LEU 691 -10.212   4.653 -24.272
  742   HD11  LEU 691          HD11      LEU 691 -12.055   5.498 -22.848
  743   HD12  LEU 691          HD12      LEU 691 -12.085   3.751 -23.055
  744   HD13  LEU 691          HD13      LEU 691 -11.497   4.459 -21.538
  745   HD21  LEU 691          HD21      LEU 691 -10.093   6.750 -22.867
  746   HD22  LEU 691          HD22      LEU 691  -9.330   5.785 -21.569
  747   HD23  LEU 691          HD23      LEU 691  -8.490   6.016 -23.112
  748    HA   PRO 692           HA       PRO 692 -12.157   0.050 -25.485
  749    HB2  PRO 692           HB2      PRO 692 -14.399  -0.022 -23.907
  750    HB3  PRO 692           HB3      PRO 692 -12.937  -0.982 -23.510
  751    HG2  PRO 692           HG2      PRO 692 -13.548   1.827 -22.519
  752    HG3  PRO 692           HG3      PRO 692 -13.310   0.345 -21.501
  753    HD2  PRO 692           HD2      PRO 692 -11.283   1.934 -21.957
  754    HD3  PRO 692           HD3      PRO 692 -11.036   0.199 -22.254
  755    H    GLU 693           H        GLU 693 -13.598   0.767 -27.099
  756    HA   GLU 693           HA       GLU 693 -13.993   3.522 -27.468
  757    HB2  GLU 693           HB2      GLU 693 -15.492   2.970 -29.241
  758    HB3  GLU 693           HB3      GLU 693 -14.083   1.904 -29.284
  759    HG2  GLU 693           HG2      GLU 693 -15.394   0.029 -28.481
  760    HG3  GLU 693           HG3      GLU 693 -16.785   1.060 -28.143
  761    H    ALA 694           H        ALA 694 -15.976   1.242 -25.711
  762    HA   ALA 694           HA       ALA 694 -18.391   2.708 -25.571
  763    HB1  ALA 694           HB1      ALA 694 -17.058   0.706 -23.687
  764    HB2  ALA 694           HB2      ALA 694 -18.800   1.130 -23.684
  765    HB3  ALA 694           HB3      ALA 694 -18.070   0.336 -25.108
  766    H    VAL 695           H        VAL 695 -15.583   2.587 -23.277
  767    HA   VAL 695           HA       VAL 695 -16.833   4.563 -21.520
  768    HB   VAL 695           HB       VAL 695 -13.922   3.717 -21.579
  769   HG11  VAL 695          HG11      VAL 695 -14.135   5.737 -20.277
  770   HG12  VAL 695          HG12      VAL 695 -15.646   5.180 -19.521
  771   HG13  VAL 695          HG13      VAL 695 -14.109   4.407 -19.103
  772   HG21  VAL 695          HG21      VAL 695 -16.158   2.667 -19.781
  773   HG22  VAL 695          HG22      VAL 695 -15.494   1.750 -21.142
  774   HG23  VAL 695          HG23      VAL 695 -14.445   2.155 -19.777
  775    H    GLN 696           H        GLN 696 -14.517   4.612 -24.301
  776    HA   GLN 696           HA       GLN 696 -13.934   7.368 -24.070
  777    HB2  GLN 696           HB2      GLN 696 -14.301   5.724 -26.624
  778    HB3  GLN 696           HB3      GLN 696 -13.663   7.354 -26.577
  779    HG2  GLN 696           HG2      GLN 696 -11.686   6.600 -25.331
  780    HG3  GLN 696           HG3      GLN 696 -12.352   4.982 -25.228
  781   HE21  GLN 696          HE22      GLN 696 -11.282   3.621 -26.671
  782   HE22  GLN 696          HE21      GLN 696 -11.005   4.007 -28.352
  783    H    LYS 697           H        LYS 697 -16.699   5.655 -25.615
  784    HA   LYS 697           HA       LYS 697 -18.057   7.808 -26.732
  785    HB2  LYS 697           HB2      LYS 697 -18.603   5.071 -26.257
  786    HB3  LYS 697           HB3      LYS 697 -19.849   5.884 -25.360
  787    HG2  LYS 697           HG2      LYS 697 -21.009   6.011 -27.243
  788    HG3  LYS 697           HG3      LYS 697 -19.893   7.245 -27.816
  789    HD2  LYS 697           HD2      LYS 697 -19.642   4.220 -28.263
  790    HD3  LYS 697           HD3      LYS 697 -20.258   5.398 -29.428
  791    HE2  LYS 697           HE2      LYS 697 -18.035   6.559 -29.405
  792    HE3  LYS 697           HE3      LYS 697 -17.402   5.290 -28.344
  793    HZ1  LYS 697           HZ1      LYS 697 -16.909   4.861 -30.703
  794    HZ2  LYS 697           HZ2      LYS 697 -17.883   3.673 -30.146
  795    HZ3  LYS 697           HZ3      LYS 697 -18.484   4.865 -31.084
  796    H    GLU 698           H        GLU 698 -18.182   6.625 -23.350
  797    HA   GLU 698           HA       GLU 698 -20.118   8.499 -22.442
  798    HB2  GLU 698           HB2      GLU 698 -18.721   6.559 -21.019
  799    HB3  GLU 698           HB3      GLU 698 -17.843   7.995 -20.473
  800    HG2  GLU 698           HG2      GLU 698 -20.261   9.078 -20.248
  801    HG3  GLU 698           HG3      GLU 698 -20.830   7.410 -20.285
  802    H    LEU 699           H        LEU 699 -16.614   8.581 -22.407
  803    HA   LEU 699           HA       LEU 699 -16.201  11.037 -21.131
  804    HB2  LEU 699           HB2      LEU 699 -14.657   9.209 -22.966
  805    HB3  LEU 699           HB3      LEU 699 -13.980  10.763 -22.643
  806    HG   LEU 699           HG       LEU 699 -13.551  10.301 -20.402
  807   HD11  LEU 699          HD11      LEU 699 -14.417   8.486 -19.041
  808   HD12  LEU 699          HD12      LEU 699 -15.689   9.573 -19.555
  809   HD13  LEU 699          HD13      LEU 699 -15.500   7.989 -20.349
  810   HD21  LEU 699          HD21      LEU 699 -12.402   8.101 -20.481
  811   HD22  LEU 699          HD22      LEU 699 -13.356   7.640 -21.875
  812   HD23  LEU 699          HD23      LEU 699 -12.195   8.995 -21.989
  813    H    LEU 700           H        LEU 700 -15.993  10.445 -24.701
  814    HA   LEU 700           HA       LEU 700 -15.645  13.192 -25.263
  815    HB2  LEU 700           HB2      LEU 700 -16.121  12.676 -27.600
  816    HB3  LEU 700           HB3      LEU 700 -14.953  11.604 -26.866
  817    HG   LEU 700           HG       LEU 700 -17.311  10.222 -26.457
  818   HD11  LEU 700          HD11      LEU 700 -18.584  10.166 -28.509
  819   HD12  LEU 700          HD12      LEU 700 -18.603  11.810 -27.867
  820   HD13  LEU 700          HD13      LEU 700 -17.547  11.413 -29.234
  821   HD21  LEU 700          HD21      LEU 700 -15.501   9.986 -28.890
  822   HD22  LEU 700          HD22      LEU 700 -15.176   9.304 -27.282
  823   HD23  LEU 700          HD23      LEU 700 -16.548   8.710 -28.212
  824    H    ALA 701           H        ALA 701 -18.683  11.269 -25.034
  825    HA   ALA 701           HA       ALA 701 -20.279  13.346 -26.224
  826    HB1  ALA 701           HB1      ALA 701 -21.065  11.060 -24.354
  827    HB2  ALA 701           HB2      ALA 701 -22.173  12.031 -25.355
  828    HB3  ALA 701           HB3      ALA 701 -20.970  10.974 -26.128
  829    H    GLU 702           H        GLU 702 -19.730  12.374 -22.800
  830    HA   GLU 702           HA       GLU 702 -21.143  14.547 -21.608
  831    HB2  GLU 702           HB2      GLU 702 -18.716  12.916 -20.730
  832    HB3  GLU 702           HB3      GLU 702 -19.557  14.065 -19.700
  833    HG2  GLU 702           HG2      GLU 702 -20.799  11.540 -20.747
  834    HG3  GLU 702           HG3      GLU 702 -20.023  11.768 -19.165
  835    H    TRP 703           H        TRP 703 -17.664  14.207 -22.589
  836    HA   TRP 703           HA       TRP 703 -16.867  16.582 -21.356
  837    HB2  TRP 703           HB2      TRP 703 -15.767  15.256 -23.865
  838    HB3  TRP 703           HB3      TRP 703 -14.976  16.582 -23.038
  839    HD1  TRP 703           HD1      TRP 703 -15.532  14.761 -20.044
  840    HE1  TRP 703           HE1      TRP 703 -13.934  12.837 -19.622
  841    HE3  TRP 703           HE3      TRP 703 -13.567  14.195 -24.727
  842    HZ2  TRP 703           HZ2      TRP 703 -11.574  11.647 -20.928
  843    HZ3  TRP 703           HZ3      TRP 703 -11.772  12.543 -25.127
  844    HH2  TRP 703           HH2      TRP 703 -10.810  11.249 -23.244
  845    H    LYS 704           H        LYS 704 -17.943  16.085 -24.804
  846    HA   LYS 704           HA       LYS 704 -17.692  18.921 -25.334
  847    HB2  LYS 704           HB2      LYS 704 -18.509  18.483 -27.502
  848    HB3  LYS 704           HB3      LYS 704 -17.457  17.145 -27.046
  849    HG2  LYS 704           HG2      LYS 704 -19.568  15.838 -26.450
  850    HG3  LYS 704           HG3      LYS 704 -20.511  17.157 -27.143
  851    HD2  LYS 704           HD2      LYS 704 -19.488  16.838 -29.317
  852    HD3  LYS 704           HD3      LYS 704 -18.334  15.648 -28.666
  853    HE2  LYS 704           HE2      LYS 704 -20.081  14.090 -28.130
  854    HE3  LYS 704           HE3      LYS 704 -21.349  15.269 -28.532
  855    HZ1  LYS 704           HZ1      LYS 704 -20.622  15.178 -30.854
  856    HZ2  LYS 704           HZ2      LYS 704 -19.452  14.085 -30.507
  857    HZ3  LYS 704           HZ3      LYS 704 -21.027  13.684 -30.348
  858    H    ARG 705           H        ARG 705 -20.355  16.954 -24.034
  859    HA   ARG 705           HA       ARG 705 -22.431  18.914 -24.675
  860    HB2  ARG 705           HB2      ARG 705 -22.179  16.454 -22.841
  861    HB3  ARG 705           HB3      ARG 705 -23.568  17.527 -22.688
  862    HG2  ARG 705           HG2      ARG 705 -22.779  16.133 -25.262
  863    HG3  ARG 705           HG3      ARG 705 -23.967  15.541 -24.078
  864    HD2  ARG 705           HD2      ARG 705 -25.299  17.633 -24.451
  865    HD3  ARG 705           HD3      ARG 705 -24.152  18.087 -25.741
  866    HE   ARG 705           HE       ARG 705 -25.094  15.458 -26.233
  867   HH11  ARG 705          HH11      ARG 705 -26.319  18.798 -26.292
  868   HH12  ARG 705          HH12      ARG 705 -27.527  18.486 -27.481
  869   HH21  ARG 705          HH21      ARG 705 -26.706  15.040 -27.833
  870   HH22  ARG 705          HH22      ARG 705 -27.751  16.292 -28.374
  871    H    THR 706           H        THR 706 -20.449  18.073 -21.898
  872    HA   THR 706           HA       THR 706 -21.804  19.939 -20.187
  873    HB   THR 706           HB       THR 706 -19.394  18.116 -19.795
  874    HG1  THR 706           HG1      THR 706 -21.012  16.803 -20.314
  875   HG21  THR 706          HG21      THR 706 -20.100  17.985 -17.444
  876   HG22  THR 706          HG22      THR 706 -19.492  19.582 -17.915
  877   HG23  THR 706          HG23      THR 706 -21.254  19.314 -17.737
  878    H    GLY 707           H        GLY 707 -18.945  19.877 -22.178
  879    HA2  GLY 707           HA2      GLY 707 -17.084  21.493 -21.095
  880    HA3  GLY 707           HA3      GLY 707 -17.466  21.377 -22.825
  Start of MODEL    9
    1    H1   MET   1           H1       MET   1   3.357  -1.604  -2.865
    2    H2   MET   1           H2       MET   1   4.532  -2.712  -2.547
    3    H3   MET   1           H3       MET   1   4.882  -1.110  -2.570
    4    HA   MET   1           HA       MET   1   5.732  -2.091  -4.551
    5    HB2  MET   1           HB2      MET   1   4.360  -3.071  -6.217
    6    HB3  MET   1           HB3      MET   1   4.157  -3.995  -4.733
    7    HG2  MET   1           HG2      MET   1   1.905  -2.877  -4.467
    8    HG3  MET   1           HG3      MET   1   2.173  -2.045  -6.014
    9    HE1  MET   1           HE1      MET   1  -0.332  -3.143  -6.206
   10    HE2  MET   1           HE2      MET   1   0.405  -3.137  -7.844
   11    HE3  MET   1           HE3      MET   1  -0.451  -4.583  -7.252
   12    H    GLN   2           H        GLN   2   4.937  -1.268  -7.025
   13    HA   GLN   2           HA       GLN   2   3.617   1.358  -6.712
   14    HB2  GLN   2           HB2      GLN   2   5.368   2.525  -7.746
   15    HB3  GLN   2           HB3      GLN   2   6.175   1.438  -6.603
   16    HG2  GLN   2           HG2      GLN   2   6.640  -0.140  -8.500
   17    HG3  GLN   2           HG3      GLN   2   6.010   1.067  -9.624
   18   HE21  GLN   2          HE22      GLN   2   8.716   0.032  -9.711
   19   HE22  GLN   2          HE21      GLN   2   9.793   1.362  -9.364
   20    H    ILE   3           H        ILE   3   2.641   2.154  -8.650
   21    HA   ILE   3           HA       ILE   3   2.669   0.381 -11.089
   22    HB   ILE   3           HB       ILE   3   0.167   0.573 -11.222
   23   HG12  ILE   3          HG12      ILE   3  -0.095   0.646  -8.267
   24   HG13  ILE   3          HG13      ILE   3   0.339   2.205  -8.962
   25   HG21  ILE   3          HG21      ILE   3   1.216  -1.148  -8.903
   26   HG22  ILE   3          HG22      ILE   3  -0.240  -1.444  -9.876
   27   HG23  ILE   3          HG23      ILE   3   1.353  -1.554 -10.622
   28   HD11  ILE   3          HD11      ILE   3  -2.008   0.540  -9.918
   29   HD12  ILE   3          HD12      ILE   3  -2.106   1.848  -8.727
   30   HD13  ILE   3          HD13      ILE   3  -1.574   2.212 -10.387
   31    H    PHE   4           H        PHE   4   1.871   1.392 -12.946
   32    HA   PHE   4           HA       PHE   4   2.635   4.263 -12.889
   33    HB2  PHE   4           HB2      PHE   4   2.710   2.501 -15.333
   34    HB3  PHE   4           HB3      PHE   4   3.622   3.955 -14.939
   35    HD1  PHE   4           HD2      PHE   4   4.989   3.625 -12.597
   36    HD2  PHE   4           HD1      PHE   4   4.060   0.573 -15.464
   37    HE1  PHE   4           HE2      PHE   4   6.831   2.227 -11.701
   38    HE2  PHE   4           HE1      PHE   4   6.006  -0.742 -14.670
   39    HZ   PHE   4           HZ       PHE   4   7.412   0.081 -12.816
   40    H    VAL   5           H        VAL   5   0.712   5.415 -12.825
   41    HA   VAL   5           HA       VAL   5  -1.578   4.417 -14.466
   42    HB   VAL   5           HB       VAL   5  -1.530   6.766 -12.558
   43   HG11  VAL   5          HG11      VAL   5  -3.284   6.881 -14.299
   44   HG12  VAL   5          HG12      VAL   5  -3.843   5.249 -13.897
   45   HG13  VAL   5          HG13      VAL   5  -3.991   6.551 -12.705
   46   HG21  VAL   5          HG21      VAL   5  -2.902   5.028 -11.169
   47   HG22  VAL   5          HG22      VAL   5  -2.154   3.805 -12.199
   48   HG23  VAL   5          HG23      VAL   5  -1.125   4.846 -11.220
   49    H    LYS   6           H        LYS   6  -1.303   4.822 -16.612
   50    HA   LYS   6           HA       LYS   6   0.046   7.227 -17.475
   51    HB2  LYS   6           HB2      LYS   6  -0.125   5.000 -18.810
   52    HB3  LYS   6           HB3      LYS   6  -1.757   5.557 -19.257
   53    HG2  LYS   6           HG2      LYS   6  -0.679   7.788 -19.961
   54    HG3  LYS   6           HG3      LYS   6   0.875   7.083 -19.582
   55    HD2  LYS   6           HD2      LYS   6  -0.145   5.215 -21.330
   56    HD3  LYS   6           HD3      LYS   6  -0.939   6.712 -21.897
   57    HE2  LYS   6           HE2      LYS   6   1.132   6.468 -23.137
   58    HE3  LYS   6           HE3      LYS   6   1.327   7.816 -22.008
   59    HZ1  LYS   6           HZ1      LYS   6   3.275   6.347 -22.062
   60    HZ2  LYS   6           HZ2      LYS   6   2.646   6.305 -20.555
   61    HZ3  LYS   6           HZ3      LYS   6   2.399   5.059 -21.599
   62    H    THR   7           H        THR   7  -0.923   9.232 -17.664
   63    HA   THR   7           HA       THR   7  -3.837   9.326 -17.453
   64    HB   THR   7           HB       THR   7  -3.649  11.625 -17.347
   65    HG1  THR   7           HG1      THR   7  -1.551  12.618 -17.369
   66   HG21  THR   7          HG21      THR   7  -2.508  11.955 -15.215
   67   HG22  THR   7          HG22      THR   7  -3.421  10.441 -15.261
   68   HG23  THR   7          HG23      THR   7  -1.649  10.400 -15.447
   69    H    LEU   8           H        LEU   8  -5.055  10.559 -18.862
   70    HA   LEU   8           HA       LEU   8  -4.625   9.461 -21.448
   71    HB2  LEU   8           HB2      LEU   8  -6.583  11.579 -20.671
   72    HB3  LEU   8           HB3      LEU   8  -6.398  10.901 -22.294
   73    HG   LEU   8           HG       LEU   8  -7.553   9.654 -19.876
   74   HD11  LEU   8          HD11      LEU   8  -9.119  10.617 -21.345
   75   HD12  LEU   8          HD12      LEU   8  -8.379   9.841 -22.766
   76   HD13  LEU   8          HD13      LEU   8  -9.249   8.879 -21.554
   77   HD21  LEU   8          HD21      LEU   8  -5.897   7.951 -20.502
   78   HD22  LEU   8          HD22      LEU   8  -7.448   7.364 -20.996
   79   HD23  LEU   8          HD23      LEU   8  -6.405   8.086 -22.225
   80    H    THR   9           H        THR   9  -3.094  12.311 -20.184
   81    HA   THR   9           HA       THR   9  -2.960  13.705 -22.712
   82    HB   THR   9           HB       THR   9  -2.858  14.977 -20.734
   83    HG1  THR   9           HG1      THR   9  -1.694  16.153 -21.939
   84   HG21  THR   9          HG21      THR   9  -2.096  13.695 -19.015
   85   HG22  THR   9          HG22      THR   9  -0.544  13.303 -19.821
   86   HG23  THR   9          HG23      THR   9  -0.859  14.926 -19.183
   87    H    GLY  10           H        GLY  10  -1.426  10.908 -21.419
   88    HA2  GLY  10           HA2      GLY  10   0.299   9.657 -22.426
   89    HA3  GLY  10           HA3      GLY  10   0.816  11.080 -23.353
   90    H    LYS  11           H        LYS  11   0.095  10.835 -19.768
   91    HA   LYS  11           HA       LYS  11   3.062  11.139 -19.311
   92    HB2  LYS  11           HB2      LYS  11   2.022  13.241 -18.755
   93    HB3  LYS  11           HB3      LYS  11   0.749  12.474 -17.839
   94    HG2  LYS  11           HG2      LYS  11   3.572  11.933 -16.982
   95    HG3  LYS  11           HG3      LYS  11   2.963  13.560 -16.739
   96    HD2  LYS  11           HD2      LYS  11   1.743  11.026 -15.605
   97    HD3  LYS  11           HD3      LYS  11   2.770  12.147 -14.725
   98    HE2  LYS  11           HE2      LYS  11   0.016  12.803 -15.902
   99    HE3  LYS  11           HE3      LYS  11   0.338  12.330 -14.237
  100    HZ1  LYS  11           HZ1      LYS  11   1.298  14.843 -15.494
  101    HZ2  LYS  11           HZ2      LYS  11   0.135  14.644 -14.331
  102    HZ3  LYS  11           HZ3      LYS  11   1.691  14.340 -13.969
  103    H    THR  12           H        THR  12   3.740   9.732 -17.520
  104    HA   THR  12           HA       THR  12   1.589   7.929 -16.499
  105    HB   THR  12           HB       THR  12   4.400   6.951 -16.946
  106    HG1  THR  12           HG1      THR  12   4.020   7.539 -19.002
  107   HG21  THR  12          HG21      THR  12   2.466   5.729 -15.732
  108   HG22  THR  12          HG22      THR  12   1.728   5.552 -17.354
  109   HG23  THR  12          HG23      THR  12   3.311   4.831 -17.035
  110    H    ILE  13           H        ILE  13   1.204   8.241 -14.506
  111    HA   ILE  13           HA       ILE  13   3.323   9.404 -12.785
  112    HB   ILE  13           HB       ILE  13   1.715  10.824 -12.515
  113   HG12  ILE  13          HG12      ILE  13   1.887   9.221 -10.283
  114   HG13  ILE  13          HG13      ILE  13   1.133  10.783 -10.390
  115   HG21  ILE  13          HG21      ILE  13   0.038  10.126 -14.027
  116   HG22  ILE  13          HG22      ILE  13  -0.539   8.870 -12.906
  117   HG23  ILE  13          HG23      ILE  13  -0.691  10.609 -12.482
  118   HD11  ILE  13          HD11      ILE  13  -0.477   8.286 -10.802
  119   HD12  ILE  13          HD12      ILE  13  -0.139   8.927  -9.204
  120   HD13  ILE  13          HD13      ILE  13  -1.030   9.953 -10.347
  121    H    THR  14           H        THR  14   4.438   7.912 -11.778
  122    HA   THR  14           HA       THR  14   3.383   5.282 -11.194
  123    HB   THR  14           HB       THR  14   5.841   6.676 -10.161
  124    HG1  THR  14           HG1      THR  14   6.904   5.982 -11.983
  125   HG21  THR  14          HG21      THR  14   5.030   3.698 -10.429
  126   HG22  THR  14          HG22      THR  14   6.719   4.198 -10.241
  127   HG23  THR  14          HG23      THR  14   5.541   4.570  -8.974
  128    H    LEU  15           H        LEU  15   2.671   4.587  -9.160
  129    HA   LEU  15           HA       LEU  15   2.836   6.440  -6.879
  130    HB2  LEU  15           HB2      LEU  15   0.466   6.283  -6.401
  131    HB3  LEU  15           HB3      LEU  15   0.752   6.987  -8.000
  132    HG   LEU  15           HG       LEU  15   0.251   4.509  -8.845
  133   HD11  LEU  15          HD11      LEU  15  -1.541   3.490  -7.444
  134   HD12  LEU  15          HD12      LEU  15  -0.005   3.540  -6.576
  135   HD13  LEU  15          HD13      LEU  15  -1.286   4.730  -6.211
  136   HD21  LEU  15          HD21      LEU  15  -1.837   6.492  -7.834
  137   HD22  LEU  15          HD22      LEU  15  -1.036   6.470  -9.438
  138   HD23  LEU  15          HD23      LEU  15  -2.146   5.167  -8.978
  139    H    GLU  16           H        GLU  16   2.610   5.406  -4.843
  140    HA   GLU  16           HA       GLU  16   3.296   2.553  -5.090
  141    HB2  GLU  16           HB2      GLU  16   4.141   4.751  -3.198
  142    HB3  GLU  16           HB3      GLU  16   4.251   3.053  -2.690
  143    HG2  GLU  16           HG2      GLU  16   5.566   2.487  -4.650
  144    HG3  GLU  16           HG3      GLU  16   5.477   4.140  -5.256
  145    H    VAL  17           H        VAL  17   2.095   1.112  -4.340
  146    HA   VAL  17           HA       VAL  17  -0.060   1.443  -2.346
  147    HB   VAL  17           HB       VAL  17  -1.707   0.516  -4.100
  148   HG11  VAL  17          HG11      VAL  17  -2.319   2.695  -4.926
  149   HG12  VAL  17          HG12      VAL  17  -1.850   2.750  -3.223
  150   HG13  VAL  17          HG13      VAL  17  -0.733   3.341  -4.457
  151   HG21  VAL  17          HG21      VAL  17   0.459   1.431  -6.049
  152   HG22  VAL  17          HG22      VAL  17  -0.183  -0.203  -5.834
  153   HG23  VAL  17          HG23      VAL  17  -1.234   1.102  -6.442
  154    H    GLU  18           H        GLU  18  -1.407  -0.826  -2.803
  155    HA   GLU  18           HA       GLU  18   0.602  -3.033  -2.629
  156    HB2  GLU  18           HB2      GLU  18  -1.932  -2.591  -0.996
  157    HB3  GLU  18           HB3      GLU  18  -0.974  -4.070  -0.960
  158    HG2  GLU  18           HG2      GLU  18   0.069  -1.326  -0.148
  159    HG3  GLU  18           HG3      GLU  18  -0.619  -2.511   0.944
  160    HA   PRO  19           HA       PRO  19  -2.152  -4.904  -5.683
  161    HB2  PRO  19           HB2      PRO  19  -2.140  -7.401  -4.047
  162    HB3  PRO  19           HB3      PRO  19  -1.748  -7.169  -5.791
  163    HG2  PRO  19           HG2      PRO  19   0.161  -7.613  -3.860
  164    HG3  PRO  19           HG3      PRO  19   0.448  -6.597  -5.299
  165    HD2  PRO  19           HD2      PRO  19  -0.110  -5.746  -2.469
  166    HD3  PRO  19           HD3      PRO  19   0.913  -4.970  -3.719
  167    H    SER  20           H        SER  20  -2.896  -5.054  -2.208
  168    HA   SER  20           HA       SER  20  -5.756  -5.645  -2.722
  169    HB2  SER  20           HB2      SER  20  -4.247  -5.476  -0.081
  170    HB3  SER  20           HB3      SER  20  -5.869  -6.138  -0.350
  171    HG   SER  20           HG       SER  20  -4.252  -7.788  -0.184
  172    H    ASP  21           H        ASP  21  -3.951  -2.970  -2.997
  173    HA   ASP  21           HA       ASP  21  -5.545  -1.321  -1.261
  174    HB2  ASP  21           HB2      ASP  21  -3.228  -0.657  -2.005
  175    HB3  ASP  21           HB3      ASP  21  -3.911  -0.385  -3.628
  176    H    THR  22           H        THR  22  -7.347  -0.201  -1.839
  177    HA   THR  22           HA       THR  22  -8.831  -1.237  -4.053
  178    HB   THR  22           HB       THR  22 -10.574   0.482  -3.320
  179    HG1  THR  22           HG1      THR  22 -10.198   1.221  -1.115
  180   HG21  THR  22          HG21      THR  22 -10.744  -1.848  -2.836
  181   HG22  THR  22          HG22      THR  22  -9.650  -1.693  -1.420
  182   HG23  THR  22          HG23      THR  22 -11.252  -0.914  -1.417
  183    H    ILE  23           H        ILE  23  -9.572  -0.285  -5.809
  184    HA   ILE  23           HA       ILE  23  -8.223   1.700  -7.220
  185    HB   ILE  23           HB       ILE  23 -11.161   1.049  -7.233
  186   HG12  ILE  23          HG12      ILE  23 -10.424  -0.993  -7.824
  187   HG13  ILE  23          HG13      ILE  23 -10.280  -0.228  -9.412
  188   HG21  ILE  23          HG21      ILE  23 -10.721   3.137  -8.498
  189   HG22  ILE  23          HG22      ILE  23  -9.527   2.262  -9.480
  190   HG23  ILE  23          HG23      ILE  23 -11.250   1.834  -9.553
  191   HD11  ILE  23          HD11      ILE  23  -7.846   0.100  -8.998
  192   HD12  ILE  23          HD12      ILE  23  -8.016  -0.850  -7.501
  193   HD13  ILE  23          HD13      ILE  23  -8.373  -1.600  -9.041
  194    H    GLU  24           H        GLU  24 -10.957   2.273  -4.865
  195    HA   GLU  24           HA       GLU  24 -11.221   5.020  -5.357
  196    HB2  GLU  24           HB2      GLU  24 -12.657   3.589  -3.856
  197    HB3  GLU  24           HB3      GLU  24 -11.366   3.617  -2.651
  198    HG2  GLU  24           HG2      GLU  24 -11.558   6.095  -2.507
  199    HG3  GLU  24           HG3      GLU  24 -12.807   6.077  -3.757
  200    H    ASN  25           H        ASN  25  -8.883   3.344  -3.238
  201    HA   ASN  25           HA       ASN  25  -7.791   5.854  -2.241
  202    HB2  ASN  25           HB2      ASN  25  -7.867   3.719  -0.915
  203    HB3  ASN  25           HB3      ASN  25  -6.696   3.033  -2.029
  204   HD21  ASN  25          HD22      ASN  25  -5.113   2.743  -0.484
  205   HD22  ASN  25          HD21      ASN  25  -4.326   4.045   0.421
  206    H    VAL  26           H        VAL  26  -6.951   3.536  -4.812
  207    HA   VAL  26           HA       VAL  26  -4.473   4.714  -5.593
  208    HB   VAL  26           HB       VAL  26  -6.683   3.268  -7.056
  209   HG11  VAL  26          HG11      VAL  26  -5.495   4.560  -8.707
  210   HG12  VAL  26          HG12      VAL  26  -3.925   3.991  -8.094
  211   HG13  VAL  26          HG13      VAL  26  -5.043   2.837  -8.877
  212   HG21  VAL  26          HG21      VAL  26  -3.962   2.100  -6.461
  213   HG22  VAL  26          HG22      VAL  26  -5.260   2.039  -5.259
  214   HG23  VAL  26          HG23      VAL  26  -5.506   1.281  -6.824
  215    H    LYS  27           H        LYS  27  -7.853   5.369  -6.848
  216    HA   LYS  27           HA       LYS  27  -7.138   7.604  -8.400
  217    HB2  LYS  27           HB2      LYS  27  -9.684   7.200  -6.712
  218    HB3  LYS  27           HB3      LYS  27  -9.499   8.475  -7.910
  219    HG2  LYS  27           HG2      LYS  27  -9.346   6.715  -9.696
  220    HG3  LYS  27           HG3      LYS  27  -9.715   5.500  -8.445
  221    HD2  LYS  27           HD2      LYS  27 -11.738   6.989  -7.827
  222    HD3  LYS  27           HD3      LYS  27 -11.406   7.881  -9.314
  223    HE2  LYS  27           HE2      LYS  27 -11.829   5.866 -10.646
  224    HE3  LYS  27           HE3      LYS  27 -12.109   4.941  -9.150
  225    HZ1  LYS  27           HZ1      LYS  27 -14.015   6.292  -8.650
  226    HZ2  LYS  27           HZ2      LYS  27 -13.724   7.357  -9.892
  227    HZ3  LYS  27           HZ3      LYS  27 -14.215   5.806 -10.185
  228    H    ALA  28           H        ALA  28  -7.663   7.506  -4.821
  229    HA   ALA  28           HA       ALA  28  -7.581  10.363  -4.504
  230    HB1  ALA  28           HB1      ALA  28  -8.384   8.836  -2.722
  231    HB2  ALA  28           HB2      ALA  28  -6.717   8.229  -2.505
  232    HB3  ALA  28           HB3      ALA  28  -7.089   9.926  -2.167
  233    H    LYS  29           H        LYS  29  -4.993   7.877  -4.754
  234    HA   LYS  29           HA       LYS  29  -2.856   9.780  -4.198
  235    HB2  LYS  29           HB2      LYS  29  -2.882   7.086  -5.601
  236    HB3  LYS  29           HB3      LYS  29  -1.418   8.050  -5.292
  237    HG2  LYS  29           HG2      LYS  29  -1.726   7.960  -2.918
  238    HG3  LYS  29           HG3      LYS  29  -3.364   7.320  -3.071
  239    HD2  LYS  29           HD2      LYS  29  -2.581   5.182  -3.843
  240    HD3  LYS  29           HD3      LYS  29  -0.899   5.733  -3.916
  241    HE2  LYS  29           HE2      LYS  29  -2.412   6.072  -1.320
  242    HE3  LYS  29           HE3      LYS  29  -1.975   4.418  -1.780
  243    HZ1  LYS  29           HZ1      LYS  29  -0.019   6.640  -1.459
  244    HZ2  LYS  29           HZ2      LYS  29  -0.273   5.442  -0.390
  245    HZ3  LYS  29           HZ3      LYS  29   0.358   5.070  -1.851
  246    H    ILE  30           H        ILE  30  -4.734   8.890  -7.082
  247    HA   ILE  30           HA       ILE  30  -3.115  10.486  -8.893
  248    HB   ILE  30           HB       ILE  30  -6.071   9.984  -9.204
  249   HG12  ILE  30          HG12      ILE  30  -5.214   7.790  -8.968
  250   HG13  ILE  30          HG13      ILE  30  -5.422   8.050 -10.686
  251   HG21  ILE  30          HG21      ILE  30  -3.832  10.596 -11.166
  252   HG22  ILE  30          HG22      ILE  30  -5.484  10.146 -11.631
  253   HG23  ILE  30          HG23      ILE  30  -5.216  11.645 -10.744
  254   HD11  ILE  30          HD11      ILE  30  -3.421   6.877 -10.057
  255   HD12  ILE  30          HD12      ILE  30  -2.964   8.415 -10.874
  256   HD13  ILE  30          HD13      ILE  30  -2.829   8.246  -9.106
  257    H    GLN  31           H        GLN  31  -5.967  11.302  -6.890
  258    HA   GLN  31           HA       GLN  31  -6.127  14.025  -7.567
  259    HB2  GLN  31           HB2      GLN  31  -7.739  12.743  -6.103
  260    HB3  GLN  31           HB3      GLN  31  -6.558  12.910  -4.800
  261    HG2  GLN  31           HG2      GLN  31  -6.822  15.540  -5.550
  262    HG3  GLN  31           HG3      GLN  31  -8.431  14.942  -5.921
  263   HE21  GLN  31          HE22      GLN  31  -9.823  14.312  -4.137
  264   HE22  GLN  31          HE21      GLN  31  -9.336  14.542  -2.478
  265    H    ASP  32           H        ASP  32  -4.017  12.350  -5.221
  266    HA   ASP  32           HA       ASP  32  -2.711  14.673  -4.210
  267    HB2  ASP  32           HB2      ASP  32  -2.430  12.651  -3.020
  268    HB3  ASP  32           HB3      ASP  32  -1.838  11.791  -4.425
  269    H    LYS  33           H        LYS  33  -2.105  12.766  -7.214
  270    HA   LYS  33           HA       LYS  33   0.352  14.279  -7.730
  271    HB2  LYS  33           HB2      LYS  33  -1.079  12.025  -9.123
  272    HB3  LYS  33           HB3      LYS  33   0.499  12.674  -9.588
  273    HG2  LYS  33           HG2      LYS  33   0.074  11.759  -6.711
  274    HG3  LYS  33           HG3      LYS  33   0.251  10.563  -7.945
  275    HD2  LYS  33           HD2      LYS  33   2.418  11.615  -8.689
  276    HD3  LYS  33           HD3      LYS  33   2.300  12.747  -7.329
  277    HE2  LYS  33           HE2      LYS  33   2.041   9.747  -6.951
  278    HE3  LYS  33           HE3      LYS  33   3.641  10.464  -7.129
  279    HZ1  LYS  33           HZ1      LYS  33   3.317  11.790  -5.180
  280    HZ2  LYS  33           HZ2      LYS  33   1.740  11.426  -5.013
  281    HZ3  LYS  33           HZ3      LYS  33   2.900  10.280  -4.750
  282    H    GLU  34           H        GLU  34  -2.875  14.079  -8.987
  283    HA   GLU  34           HA       GLU  34  -2.227  15.774 -11.314
  284    HB2  GLU  34           HB2      GLU  34  -4.444  13.734 -10.793
  285    HB3  GLU  34           HB3      GLU  34  -4.236  14.644 -12.294
  286    HG2  GLU  34           HG2      GLU  34  -2.483  12.499 -11.105
  287    HG3  GLU  34           HG3      GLU  34  -3.297  12.490 -12.664
  288    H    GLY  35           H        GLY  35  -4.430  15.431  -8.556
  289    HA2  GLY  35           HA2      GLY  35  -5.334  17.267  -7.417
  290    HA3  GLY  35           HA3      GLY  35  -5.310  18.239  -8.889
  291    H    ILE  36           H        ILE  36  -6.558  15.021  -9.379
  292    HA   ILE  36           HA       ILE  36  -9.185  16.266  -9.894
  293    HB   ILE  36           HB       ILE  36  -8.003  13.606 -10.731
  294   HG12  ILE  36          HG12      ILE  36  -8.274  16.193 -12.368
  295   HG13  ILE  36          HG13      ILE  36  -6.761  15.643 -11.642
  296   HG21  ILE  36          HG21      ILE  36 -10.546  13.764 -10.731
  297   HG22  ILE  36          HG22      ILE  36 -10.407  15.129 -11.853
  298   HG23  ILE  36          HG23      ILE  36  -9.859  13.502 -12.337
  299   HD11  ILE  36          HD11      ILE  36  -6.928  13.526 -12.894
  300   HD12  ILE  36          HD12      ILE  36  -8.326  14.202 -13.778
  301   HD13  ILE  36          HD13      ILE  36  -6.736  14.975 -13.915
  302    HA   PRO  37           HA       PRO  37 -10.533  13.984  -6.246
  303    HB2  PRO  37           HB2      PRO  37 -13.305  14.444  -6.550
  304    HB3  PRO  37           HB3      PRO  37 -12.115  15.483  -5.691
  305    HG2  PRO  37           HG2      PRO  37 -13.431  15.916  -8.307
  306    HG3  PRO  37           HG3      PRO  37 -12.602  17.079  -7.227
  307    HD2  PRO  37           HD2      PRO  37 -11.562  15.841  -9.632
  308    HD3  PRO  37           HD3      PRO  37 -10.722  16.949  -8.512
  309    HA   PRO  38           HA       PRO  38 -11.302  10.098  -7.980
  310    HB2  PRO  38           HB2      PRO  38 -12.663   8.728  -6.020
  311    HB3  PRO  38           HB3      PRO  38 -10.889   9.045  -6.027
  312    HG2  PRO  38           HG2      PRO  38 -13.060  10.518  -4.539
  313    HG3  PRO  38           HG3      PRO  38 -11.422  10.053  -3.959
  314    HD2  PRO  38           HD2      PRO  38 -11.977  12.572  -4.820
  315    HD3  PRO  38           HD3      PRO  38 -10.396  11.798  -5.176
  316    H    ASP  39           H        ASP  39 -14.254  11.569  -6.627
  317    HA   ASP  39           HA       ASP  39 -15.941   9.672  -7.954
  318    HB2  ASP  39           HB2      ASP  39 -16.768  11.014  -6.076
  319    HB3  ASP  39           HB3      ASP  39 -16.514  12.509  -6.985
  320    H    GLN  40           H        GLN  40 -14.235  12.464  -9.007
  321    HA   GLN  40           HA       GLN  40 -15.836  12.813 -11.510
  322    HB2  GLN  40           HB2      GLN  40 -15.341  14.809 -10.343
  323    HB3  GLN  40           HB3      GLN  40 -13.682  14.330 -10.005
  324    HG2  GLN  40           HG2      GLN  40 -12.924  14.819 -12.154
  325    HG3  GLN  40           HG3      GLN  40 -14.545  14.894 -12.843
  326   HE21  GLN  40          HE22      GLN  40 -15.987  16.700 -12.070
  327   HE22  GLN  40          HE21      GLN  40 -15.238  18.239 -11.643
  328    H    GLN  41           H        GLN  41 -13.360  10.754 -10.502
  329    HA   GLN  41           HA       GLN  41 -11.751  10.987 -12.990
  330    HB2  GLN  41           HB2      GLN  41 -10.951  11.541 -10.611
  331    HB3  GLN  41           HB3      GLN  41 -11.234   9.870 -10.189
  332    HG2  GLN  41           HG2      GLN  41  -9.563   9.361 -12.117
  333    HG3  GLN  41           HG3      GLN  41  -9.199  11.108 -11.995
  334   HE21  GLN  41          HE22      GLN  41  -9.008  11.686  -9.257
  335   HE22  GLN  41          HE21      GLN  41  -7.977  10.528  -8.468
  336    H    ARG  42           H        ARG  42 -11.507   8.992 -14.222
  337    HA   ARG  42           HA       ARG  42 -12.668   6.548 -12.881
  338    HB2  ARG  42           HB2      ARG  42 -13.366   7.670 -15.459
  339    HB3  ARG  42           HB3      ARG  42 -12.605   6.070 -15.693
  340    HG2  ARG  42           HG2      ARG  42 -14.186   4.962 -14.416
  341    HG3  ARG  42           HG3      ARG  42 -14.801   6.443 -13.647
  342    HD2  ARG  42           HD2      ARG  42 -15.754   7.132 -15.883
  343    HD3  ARG  42           HD3      ARG  42 -15.194   5.582 -16.553
  344    HE   ARG  42           HE       ARG  42 -16.811   5.155 -14.208
  345   HH11  ARG  42          HH21      ARG  42 -17.171   6.030 -17.658
  346   HH12  ARG  42          HH22      ARG  42 -18.819   5.481 -17.747
  347   HH21  ARG  42          HH11      ARG  42 -19.013   4.440 -14.378
  348   HH22  ARG  42          HH12      ARG  42 -19.847   4.593 -15.883
  349    H    LEU  43           H        LEU  43 -11.695   4.535 -13.574
  350    HA   LEU  43           HA       LEU  43  -8.842   4.855 -14.335
  351    HB2  LEU  43           HB2      LEU  43  -9.855   4.194 -11.733
  352    HB3  LEU  43           HB3      LEU  43  -9.385   2.660 -12.440
  353    HG   LEU  43           HG       LEU  43  -7.127   3.496 -12.862
  354   HD11  LEU  43          HD11      LEU  43  -7.428   5.927 -13.187
  355   HD12  LEU  43          HD12      LEU  43  -8.151   6.105 -11.584
  356   HD13  LEU  43          HD13      LEU  43  -6.427   5.703 -11.755
  357   HD21  LEU  43          HD21      LEU  43  -6.439   3.675 -10.505
  358   HD22  LEU  43          HD22      LEU  43  -8.095   4.044  -9.999
  359   HD23  LEU  43          HD23      LEU  43  -7.686   2.438 -10.684
  360    H    ILE  44           H        ILE  44  -8.346   3.643 -15.920
  361    HA   ILE  44           HA       ILE  44  -9.891   1.133 -16.486
  362    HB   ILE  44           HB       ILE  44  -8.615   3.101 -18.450
  363   HG12  ILE  44          HG12      ILE  44 -11.328   2.497 -19.100
  364   HG13  ILE  44          HG13      ILE  44 -11.297   2.644 -17.337
  365   HG21  ILE  44          HG21      ILE  44 -10.011   0.513 -19.231
  366   HG22  ILE  44          HG22      ILE  44  -9.361   1.756 -20.293
  367   HG23  ILE  44          HG23      ILE  44  -8.230   0.817 -19.367
  368   HD11  ILE  44          HD11      ILE  44 -11.726   4.795 -18.299
  369   HD12  ILE  44          HD12      ILE  44 -10.159   4.777 -17.496
  370   HD13  ILE  44          HD13      ILE  44 -10.219   4.637 -19.289
  371    H    PHE  45           H        PHE  45  -8.730  -0.620 -17.314
  372    HA   PHE  45           HA       PHE  45  -5.762  -0.475 -17.112
  373    HB2  PHE  45           HB2      PHE  45  -6.567  -1.278 -14.943
  374    HB3  PHE  45           HB3      PHE  45  -7.693  -2.382 -15.750
  375    HD1  PHE  45           HD1      PHE  45  -4.025  -1.658 -16.118
  376    HD2  PHE  45           HD2      PHE  45  -7.075  -4.641 -15.538
  377    HE1  PHE  45           HE1      PHE  45  -2.281  -3.440 -16.090
  378    HE2  PHE  45           HE2      PHE  45  -5.331  -6.411 -15.438
  379    HZ   PHE  45           HZ       PHE  45  -2.945  -5.817 -15.721
  380    H    ALA  46           H        ALA  46  -5.085  -1.278 -19.064
  381    HA   ALA  46           HA       ALA  46  -5.026  -2.442 -20.993
  382    HB1  ALA  46           HB1      ALA  46  -5.903  -4.624 -19.064
  383    HB2  ALA  46           HB2      ALA  46  -4.994  -4.878 -20.577
  384    HB3  ALA  46           HB3      ALA  46  -4.246  -3.988 -19.225
  385    H    GLY  47           H        GLY  47  -7.392  -1.129 -20.877
  386    HA2  GLY  47           HA2      GLY  47  -9.016  -0.907 -22.543
  387    HA3  GLY  47           HA3      GLY  47  -8.852  -2.611 -22.953
  388    H    LYS  48           H        LYS  48  -9.372  -1.866 -19.517
  389    HA   LYS  48           HA       LYS  48 -12.279  -2.053 -19.805
  390    HB2  LYS  48           HB2      LYS  48 -12.620  -4.004 -18.503
  391    HB3  LYS  48           HB3      LYS  48 -11.509  -4.384 -19.821
  392    HG2  LYS  48           HG2      LYS  48  -9.614  -4.260 -18.186
  393    HG3  LYS  48           HG3      LYS  48 -10.790  -4.062 -16.868
  394    HD2  LYS  48           HD2      LYS  48 -11.787  -6.236 -17.393
  395    HD3  LYS  48           HD3      LYS  48 -10.763  -6.396 -18.841
  396    HE2  LYS  48           HE2      LYS  48  -8.729  -6.388 -17.409
  397    HE3  LYS  48           HE3      LYS  48  -9.747  -6.272 -15.961
  398    HZ1  LYS  48           HZ1      LYS  48 -10.709  -8.445 -16.564
  399    HZ2  LYS  48           HZ2      LYS  48  -9.759  -8.535 -17.896
  400    HZ3  LYS  48           HZ3      LYS  48  -9.083  -8.564 -16.416
  401    H    GLN  49           H        GLN  49 -13.369  -1.096 -18.188
  402    HA   GLN  49           HA       GLN  49 -11.928   0.801 -16.541
  403    HB2  GLN  49           HB2      GLN  49 -14.274   0.950 -17.714
  404    HB3  GLN  49           HB3      GLN  49 -14.852   0.024 -16.330
  405    HG2  GLN  49           HG2      GLN  49 -13.616   2.013 -14.974
  406    HG3  GLN  49           HG3      GLN  49 -13.871   2.872 -16.490
  407   HE21  GLN  49          HE22      GLN  49 -15.286   1.864 -13.531
  408   HE22  GLN  49          HE21      GLN  49 -16.967   2.203 -13.917
  409    H    LEU  50           H        LEU  50 -11.844   0.863 -14.244
  410    HA   LEU  50           HA       LEU  50 -12.440  -1.697 -12.829
  411    HB2  LEU  50           HB2      LEU  50 -10.849   0.594 -11.676
  412    HB3  LEU  50           HB3      LEU  50 -10.876  -1.115 -11.231
  413    HG   LEU  50           HG       LEU  50  -9.484   0.186 -13.571
  414   HD11  LEU  50          HD11      LEU  50  -7.458  -0.639 -12.563
  415   HD12  LEU  50          HD12      LEU  50  -8.376   0.250 -11.346
  416   HD13  LEU  50          HD13      LEU  50  -8.371  -1.539 -11.340
  417   HD21  LEU  50          HD21      LEU  50 -10.299  -2.655 -13.262
  418   HD22  LEU  50          HD22      LEU  50  -9.932  -1.743 -14.729
  419   HD23  LEU  50          HD23      LEU  50  -8.624  -2.418 -13.723
  420    H    GLU  51           H        GLU  51 -13.209  -1.126 -10.391
  421    HA   GLU  51           HA       GLU  51 -14.697   1.430 -10.380
  422    HB2  GLU  51           HB2      GLU  51 -16.691   0.485  -9.472
  423    HB3  GLU  51           HB3      GLU  51 -16.322  -0.327 -10.983
  424    HG2  GLU  51           HG2      GLU  51 -15.393  -2.245  -9.723
  425    HG3  GLU  51           HG3      GLU  51 -15.758  -1.418  -8.200
  426    H    ASP  52           H        ASP  52 -15.246   2.177  -8.226
  427    HA   ASP  52           HA       ASP  52 -12.834   2.536  -6.845
  428    HB2  ASP  52           HB2      ASP  52 -15.727   3.184  -6.235
  429    HB3  ASP  52           HB3      ASP  52 -14.467   3.541  -5.064
  430    H    GLY  53           H        GLY  53 -15.504   0.346  -6.161
  431    HA2  GLY  53           HA2      GLY  53 -14.566  -0.349  -3.507
  432    HA3  GLY  53           HA3      GLY  53 -15.955  -1.013  -4.379
  433    H    ARG  54           H        ARG  54 -12.995  -1.151  -6.202
  434    HA   ARG  54           HA       ARG  54 -12.551  -4.019  -5.469
  435    HB2  ARG  54           HB2      ARG  54 -12.569  -2.532  -8.121
  436    HB3  ARG  54           HB3      ARG  54 -11.952  -4.191  -7.938
  437    HG2  ARG  54           HG2      ARG  54 -14.839  -3.316  -7.388
  438    HG3  ARG  54           HG3      ARG  54 -14.248  -4.078  -8.865
  439    HD2  ARG  54           HD2      ARG  54 -15.154  -5.853  -7.745
  440    HD3  ARG  54           HD3      ARG  54 -13.423  -5.966  -7.387
  441    HE   ARG  54           HE       ARG  54 -14.975  -4.522  -5.385
  442   HH11  ARG  54          HH21      ARG  54 -13.617  -7.739  -6.262
  443   HH12  ARG  54          HH22      ARG  54 -13.956  -8.403  -4.707
  444   HH21  ARG  54          HH11      ARG  54 -15.192  -5.379  -3.313
  445   HH22  ARG  54          HH12      ARG  54 -14.819  -7.034  -2.979
  446    H    THR  55           H        THR  55 -10.265  -4.687  -6.487
  447    HA   THR  55           HA       THR  55  -8.330  -2.601  -5.565
  448    HB   THR  55           HB       THR  55  -7.151  -4.492  -4.522
  449    HG1  THR  55           HG1      THR  55  -8.461  -6.482  -4.224
  450   HG21  THR  55          HG21      THR  55  -8.502  -3.180  -3.052
  451   HG22  THR  55          HG22      THR  55  -9.955  -4.144  -3.416
  452   HG23  THR  55          HG23      THR  55  -8.579  -4.867  -2.551
  453    H    LEU  56           H        LEU  56  -6.128  -3.235  -6.082
  454    HA   LEU  56           HA       LEU  56  -5.918  -3.584  -8.935
  455    HB2  LEU  56           HB2      LEU  56  -3.714  -3.999  -6.864
  456    HB3  LEU  56           HB3      LEU  56  -3.475  -3.643  -8.553
  457    HG   LEU  56           HG       LEU  56  -4.653  -1.797  -6.449
  458   HD11  LEU  56          HD11      LEU  56  -2.238  -1.981  -6.351
  459   HD12  LEU  56          HD12      LEU  56  -2.094  -1.617  -8.094
  460   HD13  LEU  56          HD13      LEU  56  -2.728  -0.398  -6.964
  461   HD21  LEU  56          HD21      LEU  56  -4.337  -1.396  -9.469
  462   HD22  LEU  56          HD22      LEU  56  -5.849  -1.342  -8.519
  463   HD23  LEU  56          HD23      LEU  56  -4.632  -0.076  -8.337
  464    H    SER  57           H        SER  57  -5.333  -5.878  -6.282
  465    HA   SER  57           HA       SER  57  -4.776  -8.168  -7.806
  466    HB2  SER  57           HB2      SER  57  -5.927  -7.616  -5.077
  467    HB3  SER  57           HB3      SER  57  -5.907  -9.285  -5.698
  468    HG   SER  57           HG       SER  57  -4.010  -8.930  -4.586
  469    H    ASP  58           H        ASP  58  -8.016  -6.652  -7.145
  470    HA   ASP  58           HA       ASP  58  -9.542  -8.972  -7.824
  471    HB2  ASP  58           HB2      ASP  58 -10.393  -6.908  -6.730
  472    HB3  ASP  58           HB3      ASP  58 -10.225  -6.055  -8.261
  473    H    TYR  59           H        TYR  59  -7.850  -6.512  -9.644
  474    HA   TYR  59           HA       TYR  59  -8.821  -7.546 -12.254
  475    HB2  TYR  59           HB2      TYR  59  -7.378  -5.020 -11.442
  476    HB3  TYR  59           HB3      TYR  59  -7.747  -5.432 -13.122
  477    HD1  TYR  59           HD2      TYR  59 -10.241  -5.952 -13.685
  478    HD2  TYR  59           HD1      TYR  59  -8.985  -3.838 -10.125
  479    HE1  TYR  59           HE2      TYR  59 -12.526  -5.071 -13.410
  480    HE2  TYR  59           HE1      TYR  59 -11.264  -3.066  -9.778
  481    HH   TYR  59           HH       TYR  59 -14.004  -3.890 -11.980
  482    H    ASN  60           H        ASN  60  -6.551  -8.413 -10.192
  483    HA   ASN  60           HA       ASN  60  -4.697  -9.589 -10.202
  484    HB2  ASN  60           HB2      ASN  60  -6.164 -10.729 -12.164
  485    HB3  ASN  60           HB3      ASN  60  -4.752 -10.273 -13.118
  486   HD21  ASN  60          HD22      ASN  60  -5.711 -11.805 -10.012
  487   HD22  ASN  60          HD21      ASN  60  -4.425 -12.997  -9.976
  488    H    ILE  61           H        ILE  61  -4.618  -6.726 -10.973
  489    HA   ILE  61           HA       ILE  61  -2.187  -6.187 -12.477
  490    HB   ILE  61           HB       ILE  61  -3.800  -4.757 -10.352
  491   HG12  ILE  61          HG12      ILE  61  -3.678  -3.928 -13.253
  492   HG13  ILE  61          HG13      ILE  61  -4.817  -5.174 -12.729
  493   HG21  ILE  61          HG21      ILE  61  -1.506  -3.839 -10.309
  494   HG22  ILE  61          HG22      ILE  61  -1.572  -3.593 -12.074
  495   HG23  ILE  61          HG23      ILE  61  -2.601  -2.652 -10.978
  496   HD11  ILE  61          HD11      ILE  61  -5.900  -3.000 -12.746
  497   HD12  ILE  61          HD12      ILE  61  -5.800  -3.620 -11.083
  498   HD13  ILE  61          HD13      ILE  61  -4.691  -2.363 -11.608
  499    H    GLN  62           H        GLN  62  -0.114  -6.057 -11.608
  500    HA   GLN  62           HA       GLN  62   0.311  -6.787  -8.745
  501    HB2  GLN  62           HB2      GLN  62   1.969  -7.660 -11.166
  502    HB3  GLN  62           HB3      GLN  62   2.294  -8.067  -9.478
  503    HG2  GLN  62           HG2      GLN  62   0.169  -9.345  -9.363
  504    HG3  GLN  62           HG3      GLN  62  -0.180  -8.913 -11.038
  505   HE21  GLN  62          HE22      GLN  62   0.129 -10.666 -12.354
  506   HE22  GLN  62          HE21      GLN  62   1.465 -11.795 -12.231
  507    H    LYS  63           H        LYS  63   2.999  -6.211  -8.575
  508    HA   LYS  63           HA       LYS  63   3.186  -3.396  -8.755
  509    HB2  LYS  63           HB2      LYS  63   5.433  -3.689  -8.033
  510    HB3  LYS  63           HB3      LYS  63   4.477  -4.970  -7.254
  511    HG2  LYS  63           HG2      LYS  63   5.347  -6.558  -9.047
  512    HG3  LYS  63           HG3      LYS  63   6.459  -5.252  -9.533
  513    HD2  LYS  63           HD2      LYS  63   7.241  -5.110  -7.117
  514    HD3  LYS  63           HD3      LYS  63   6.194  -6.490  -6.765
  515    HE2  LYS  63           HE2      LYS  63   8.272  -7.442  -6.977
  516    HE3  LYS  63           HE3      LYS  63   7.495  -7.784  -8.536
  517    HZ1  LYS  63           HZ1      LYS  63   8.820  -5.933  -9.485
  518    HZ2  LYS  63           HZ2      LYS  63   9.504  -5.644  -8.020
  519    HZ3  LYS  63           HZ3      LYS  63   9.791  -7.047  -8.797
  520    H    GLU  64           H        GLU  64   4.734  -2.214  -9.859
  521    HA   GLU  64           HA       GLU  64   5.328  -1.210 -11.660
  522    HB2  GLU  64           HB2      GLU  64   7.352  -1.995 -12.657
  523    HB3  GLU  64           HB3      GLU  64   7.316  -2.497 -10.978
  524    HG2  GLU  64           HG2      GLU  64   6.544  -4.807 -11.938
  525    HG3  GLU  64           HG3      GLU  64   7.070  -4.136 -13.499
  526    H    SER  65           H        SER  65   2.905  -1.822 -11.967
  527    HA   SER  65           HA       SER  65   2.559  -2.901 -14.765
  528    HB2  SER  65           HB2      SER  65   0.710  -3.226 -12.378
  529    HB3  SER  65           HB3      SER  65   0.312  -3.661 -14.049
  530    HG   SER  65           HG       SER  65   2.499  -4.738 -12.567
  531    H    THR  66           H        THR  66   0.898  -1.886 -15.969
  532    HA   THR  66           HA       THR  66   0.777   0.971 -15.262
  533    HB   THR  66           HB       THR  66   0.455  -0.292 -18.015
  534    HG1  THR  66           HG1      THR  66   2.622  -0.009 -18.280
  535   HG21  THR  66          HG21      THR  66   1.104   1.902 -18.902
  536   HG22  THR  66          HG22      THR  66  -0.364   2.056 -17.932
  537   HG23  THR  66          HG23      THR  66   1.200   2.565 -17.261
  538    H    LEU  67           H        LEU  67  -1.034   2.139 -15.378
  539    HA   LEU  67           HA       LEU  67  -3.694   0.865 -15.780
  540    HB2  LEU  67           HB2      LEU  67  -2.404   1.839 -13.401
  541    HB3  LEU  67           HB3      LEU  67  -3.479   3.132 -13.913
  542    HG   LEU  67           HG       LEU  67  -5.367   1.525 -13.932
  543   HD11  LEU  67          HD11      LEU  67  -3.327  -0.300 -12.539
  544   HD12  LEU  67          HD12      LEU  67  -5.072  -0.625 -12.818
  545   HD13  LEU  67          HD13      LEU  67  -3.942  -0.564 -14.165
  546   HD21  LEU  67          HD21      LEU  67  -5.555   1.467 -11.472
  547   HD22  LEU  67          HD22      LEU  67  -3.808   1.784 -11.316
  548   HD23  LEU  67          HD23      LEU  67  -4.863   3.022 -12.035
  549    H    HIS  68           H        HIS  68  -5.426   2.762 -16.015
  550    HA   HIS  68           HA       HIS  68  -4.219   4.977 -17.669
  551    HB2  HIS  68           HB2      HIS  68  -6.421   3.021 -18.214
  552    HB3  HIS  68           HB3      HIS  68  -6.679   4.684 -18.742
  553    HD2  HIS  68           HD2      HIS  68  -6.035   5.101 -21.138
  554    HE1  HIS  68           HE1      HIS  68  -3.183   2.010 -21.763
  555    H    LEU  69           H        LEU  69  -5.011   7.124 -17.042
  556    HA   LEU  69           HA       LEU  69  -7.258   7.179 -15.044
  557    HB2  LEU  69           HB2      LEU  69  -5.122   8.155 -14.295
  558    HB3  LEU  69           HB3      LEU  69  -4.915   8.967 -15.838
  559    HG   LEU  69           HG       LEU  69  -5.318  10.391 -13.918
  560   HD11  LEU  69          HD11      LEU  69  -7.454  10.931 -15.991
  561   HD12  LEU  69          HD12      LEU  69  -6.536  12.065 -15.008
  562   HD13  LEU  69          HD13      LEU  69  -5.722  11.174 -16.290
  563   HD21  LEU  69          HD21      LEU  69  -7.106   8.944 -12.893
  564   HD22  LEU  69          HD22      LEU  69  -7.397  10.699 -12.984
  565   HD23  LEU  69          HD23      LEU  69  -8.237   9.603 -14.108
  566    H    VAL  70           H        VAL  70  -9.128   8.092 -15.764
  567    HA   VAL  70           HA       VAL  70  -8.911  10.032 -18.050
  568    HB   VAL  70           HB       VAL  70 -10.845   9.242 -19.092
  569   HG11  VAL  70          HG11      VAL  70  -8.838   7.877 -19.531
  570   HG12  VAL  70          HG12      VAL  70  -9.328   6.722 -18.308
  571   HG13  VAL  70          HG13      VAL  70 -10.356   6.973 -19.746
  572   HG21  VAL  70          HG21      VAL  70 -12.242   7.289 -18.324
  573   HG22  VAL  70          HG22      VAL  70 -11.247   7.268 -16.842
  574   HG23  VAL  70          HG23      VAL  70 -12.325   8.663 -17.236
  575    H    LEU  71           H        LEU  71 -10.806  11.432 -18.119
  576    HA   LEU  71           HA       LEU  71 -11.677  12.244 -15.399
  577    HB2  LEU  71           HB2      LEU  71 -10.453  13.773 -17.120
  578    HB3  LEU  71           HB3      LEU  71 -11.933  13.655 -18.073
  579    HG   LEU  71           HG       LEU  71 -11.388  15.702 -16.531
  580   HD11  LEU  71          HD11      LEU  71 -13.283  15.630 -18.000
  581   HD12  LEU  71          HD12      LEU  71 -14.120  14.440 -17.020
  582   HD13  LEU  71          HD13      LEU  71 -13.868  16.108 -16.398
  583   HD21  LEU  71          HD21      LEU  71 -12.435  15.726 -14.402
  584   HD22  LEU  71          HD22      LEU  71 -13.014  14.058 -14.571
  585   HD23  LEU  71          HD23      LEU  71 -11.273  14.384 -14.411
  586    H    ARG  72           H        ARG  72 -13.751  11.719 -14.972
  587    HA   ARG  72           HA       ARG  72 -15.632  11.205 -17.231
  588    HB2  ARG  72           HB2      ARG  72 -16.605   9.380 -16.134
  589    HB3  ARG  72           HB3      ARG  72 -14.869   9.158 -16.012
  590    HG2  ARG  72           HG2      ARG  72 -15.102   8.865 -13.759
  591    HG3  ARG  72           HG3      ARG  72 -15.636  10.536 -13.606
  592    HD2  ARG  72           HD2      ARG  72 -17.979   9.789 -14.126
  593    HD3  ARG  72           HD3      ARG  72 -17.399   8.119 -14.183
  594    HE   ARG  72           HE       ARG  72 -16.864   9.684 -11.712
  595   HH11  ARG  72          HH21      ARG  72 -19.207   7.467 -13.251
  596   HH12  ARG  72          HH22      ARG  72 -19.814   6.878 -11.747
  597   HH21  ARG  72          HH11      ARG  72 -17.833   9.083  -9.783
  598   HH22  ARG  72          HH12      ARG  72 -19.000   7.811  -9.711
  599    H    LEU  73           H        LEU  73 -15.051  13.636 -15.647
  600    HA   LEU  73           HA       LEU  73 -16.260  15.469 -15.073
  601    HB2  LEU  73           HB2      LEU  73 -18.761  13.931 -15.948
  602    HB3  LEU  73           HB3      LEU  73 -18.623  15.633 -15.706
  603    HG   LEU  73           HG       LEU  73 -18.656  15.098 -18.020
  604   HD11  LEU  73          HD11      LEU  73 -15.916  16.121 -17.292
  605   HD12  LEU  73          HD12      LEU  73 -16.801  16.405 -18.806
  606   HD13  LEU  73          HD13      LEU  73 -17.418  17.053 -17.290
  607   HD21  LEU  73          HD21      LEU  73 -17.625  12.826 -18.070
  608   HD22  LEU  73          HD22      LEU  73 -17.081  13.923 -19.320
  609   HD23  LEU  73          HD23      LEU  73 -16.018  13.604 -17.974
  610    H    ARG  74           H        ARG  74 -18.445  12.746 -13.922
  611    HA   ARG  74           HA       ARG  74 -18.256  13.515 -11.135
  612    HB2  ARG  74           HB2      ARG  74 -20.549  14.442 -11.079
  613    HB3  ARG  74           HB3      ARG  74 -19.447  15.395 -12.080
  614    HG2  ARG  74           HG2      ARG  74 -20.418  14.410 -14.135
  615    HG3  ARG  74           HG3      ARG  74 -21.555  13.482 -13.162
  616    HD2  ARG  74           HD2      ARG  74 -22.434  15.537 -14.268
  617    HD3  ARG  74           HD3      ARG  74 -22.767  15.429 -12.544
  618    HE   ARG  74           HE       ARG  74 -20.939  17.287 -13.960
  619   HH11  ARG  74          HH21      ARG  74 -22.303  16.279 -10.794
  620   HH12  ARG  74          HH22      ARG  74 -21.914  17.788 -10.034
  621   HH21  ARG  74          HH11      ARG  74 -20.409  19.249 -12.902
  622   HH22  ARG  74          HH12      ARG  74 -20.812  19.488 -11.244
  623    H    GLY  75           H        GLY  75 -19.797  12.178  -9.838
  624    HA2  GLY  75           HA2      GLY  75 -20.766   9.729 -11.191
  625    HA3  GLY  75           HA3      GLY  75 -20.722  10.072  -9.454
  626    H    GLY  76           H        GLY  76 -22.032  12.843 -10.077
  627    HA2  GLY  76           HA2      GLY  76 -24.527  12.610 -11.280
  628    HA3  GLY  76           HA3      GLY  76 -24.736  12.120  -9.588
  629    H1   GLY  -3           H1       GLY  -3 -14.969  23.416 -23.403
  630    H2   GLY  -3           H2       GLY  -3 -14.181  24.719 -24.013
  631    H3   GLY  -3           H3       GLY  -3 -15.794  24.554 -24.250
  632    HA2  GLY  -3           HA2      GLY  -3 -15.411  26.217 -22.579
  633    HA3  GLY  -3           HA3      GLY  -3 -16.228  24.814 -21.882
  634    H    HIS  -2           H        HIS  -2 -14.938  23.262 -20.655
  635    HA   HIS  -2           HA       HIS  -2 -12.251  24.149 -19.742
  636    HB2  HIS  -2           HB2      HIS  -2 -14.139  25.067 -18.282
  637    HB3  HIS  -2           HB3      HIS  -2 -14.539  23.407 -17.872
  638    HD2  HIS  -2           HD2      HIS  -2 -13.550  25.707 -15.776
  639    HE1  HIS  -2           HE1      HIS  -2 -10.107  23.232 -15.307
  640    H    MET  -1           H        MET  -1 -14.661  21.588 -20.349
  641    HA   MET  -1           HA       MET  -1 -13.000  19.499 -19.142
  642    HB2  MET  -1           HB2      MET  -1 -15.532  19.388 -20.833
  643    HB3  MET  -1           HB3      MET  -1 -14.776  17.998 -20.043
  644    HG2  MET  -1           HG2      MET  -1 -15.907  20.454 -18.638
  645    HG3  MET  -1           HG3      MET  -1 -16.625  18.856 -18.695
  646    HE1  MET  -1           HE1      MET  -1 -15.629  19.368 -14.928
  647    HE2  MET  -1           HE2      MET  -1 -16.064  20.673 -16.044
  648    HE3  MET  -1           HE3      MET  -1 -16.961  19.131 -16.083
  649    H    PHE 679           H        PHE 679 -12.345  17.594 -20.496
  650    HA   PHE 679           HA       PHE 679 -10.703  16.892 -21.860
  651    HB2  PHE 679           HB2      PHE 679 -12.484  16.421 -23.233
  652    HB3  PHE 679           HB3      PHE 679 -12.590  18.057 -23.892
  653    HD1  PHE 679           HD1      PHE 679 -10.450  15.016 -23.738
  654    HD2  PHE 679           HD2      PHE 679 -11.424  18.588 -25.915
  655    HE1  PHE 679           HE1      PHE 679  -9.117  14.189 -25.687
  656    HE2  PHE 679           HE2      PHE 679 -10.060  17.794 -27.835
  657    HZ   PHE 679           HZ       PHE 679  -8.910  15.594 -27.722
  658    HA   PRO 680           HA       PRO 680  -8.329  20.895 -21.924
  659    HB2  PRO 680           HB2      PRO 680  -6.915  20.611 -19.634
  660    HB3  PRO 680           HB3      PRO 680  -8.604  21.186 -19.590
  661    HG2  PRO 680           HG2      PRO 680  -7.663  18.298 -19.290
  662    HG3  PRO 680           HG3      PRO 680  -8.627  19.246 -18.102
  663    HD2  PRO 680           HD2      PRO 680  -9.770  17.624 -19.916
  664    HD3  PRO 680           HD3      PRO 680 -10.488  19.223 -19.538
  665    H    SER 681           H        SER 681  -5.746  20.749 -21.600
  666    HA   SER 681           HA       SER 681  -4.578  18.898 -23.297
  667    HB2  SER 681           HB2      SER 681  -3.214  20.277 -20.960
  668    HB3  SER 681           HB3      SER 681  -2.492  19.795 -22.509
  669    HG   SER 681           HG       SER 681  -3.003  22.045 -22.446
  670    H    ASP 682           H        ASP 682  -5.648  18.217 -20.069
  671    HA   ASP 682           HA       ASP 682  -3.943  16.087 -19.285
  672    HB2  ASP 682           HB2      ASP 682  -5.763  17.228 -17.918
  673    HB3  ASP 682           HB3      ASP 682  -6.918  16.248 -18.856
  674    H    ILE 683           H        ILE 683  -5.681  16.165 -22.123
  675    HA   ILE 683           HA       ILE 683  -5.907  13.211 -22.187
  676    HB   ILE 683           HB       ILE 683  -7.914  15.031 -23.470
  677   HG12  ILE 683          HG12      ILE 683  -8.084  15.694 -21.039
  678   HG13  ILE 683          HG13      ILE 683  -9.497  14.936 -21.712
  679   HG21  ILE 683          HG21      ILE 683  -8.101  12.289 -22.291
  680   HG22  ILE 683          HG22      ILE 683  -9.264  13.080 -23.345
  681   HG23  ILE 683          HG23      ILE 683  -7.684  12.581 -23.990
  682   HD11  ILE 683          HD11      ILE 683  -7.612  13.417 -19.892
  683   HD12  ILE 683          HD12      ILE 683  -9.063  14.303 -19.392
  684   HD13  ILE 683          HD13      ILE 683  -9.217  12.931 -20.487
  685    H    ASP 684           H        ASP 684  -5.164  12.336 -24.128
  686    HA   ASP 684           HA       ASP 684  -4.484  14.044 -26.440
  687    HB2  ASP 684           HB2      ASP 684  -2.455  13.913 -25.110
  688    HB3  ASP 684           HB3      ASP 684  -2.608  12.160 -24.934
  689    HA   PRO 685           HA       PRO 685  -6.580  10.813 -28.662
  690    HB2  PRO 685           HB2      PRO 685  -4.213  11.129 -30.521
  691    HB3  PRO 685           HB3      PRO 685  -5.936  10.871 -30.941
  692    HG2  PRO 685           HG2      PRO 685  -4.925  13.373 -30.945
  693    HG3  PRO 685           HG3      PRO 685  -6.522  13.070 -30.179
  694    HD2  PRO 685           HD2      PRO 685  -3.843  13.470 -28.873
  695    HD3  PRO 685           HD3      PRO 685  -5.459  14.016 -28.344
  696    H    GLN 686           H        GLN 686  -2.984  10.178 -28.258
  697    HA   GLN 686           HA       GLN 686  -3.313   7.519 -29.260
  698    HB2  GLN 686           HB2      GLN 686  -1.165   8.763 -29.244
  699    HB3  GLN 686           HB3      GLN 686  -1.116   8.643 -27.482
  700    HG2  GLN 686           HG2      GLN 686   0.336   6.968 -28.553
  701    HG3  GLN 686           HG3      GLN 686  -0.933   6.211 -27.601
  702   HE21  GLN 686          HE22      GLN 686  -1.468   4.274 -28.662
  703   HE22  GLN 686          HE21      GLN 686  -1.754   4.143 -30.378
  704    H    VAL 687           H        VAL 687  -2.965   8.710 -25.851
  705    HA   VAL 687           HA       VAL 687  -3.367   6.104 -24.686
  706    HB   VAL 687           HB       VAL 687  -4.167   8.719 -23.375
  707   HG11  VAL 687          HG11      VAL 687  -3.322   7.540 -21.330
  708   HG12  VAL 687          HG12      VAL 687  -4.642   6.697 -22.147
  709   HG13  VAL 687          HG13      VAL 687  -3.007   6.100 -22.350
  710   HG21  VAL 687          HG21      VAL 687  -1.328   7.829 -23.889
  711   HG22  VAL 687          HG22      VAL 687  -2.100   9.413 -24.193
  712   HG23  VAL 687          HG23      VAL 687  -1.816   8.893 -22.532
  713    H    PHE 688           H        PHE 688  -5.445   8.820 -25.604
  714    HA   PHE 688           HA       PHE 688  -7.780   7.990 -24.296
  715    HB2  PHE 688           HB2      PHE 688  -7.232  10.145 -24.949
  716    HB3  PHE 688           HB3      PHE 688  -7.207   9.719 -26.671
  717    HD1  PHE 688           HD2      PHE 688  -9.925   8.757 -24.228
  718    HD2  PHE 688           HD1      PHE 688  -8.809  11.066 -27.702
  719    HE1  PHE 688           HE2      PHE 688 -12.313   9.234 -24.685
  720    HE2  PHE 688           HE1      PHE 688 -11.202  11.518 -28.157
  721    HZ   PHE 688           HZ       PHE 688 -12.956  10.586 -26.660
  722    H    TYR 689           H        TYR 689  -6.522   7.219 -27.586
  723    HA   TYR 689           HA       TYR 689  -8.732   5.553 -28.342
  724    HB2  TYR 689           HB2      TYR 689  -7.006   6.737 -29.819
  725    HB3  TYR 689           HB3      TYR 689  -5.879   5.463 -29.382
  726    HD1  TYR 689           HD2      TYR 689  -9.005   6.330 -31.142
  727    HD2  TYR 689           HD1      TYR 689  -6.135   3.201 -30.369
  728    HE1  TYR 689           HE2      TYR 689  -9.987   4.988 -32.980
  729    HE2  TYR 689           HE1      TYR 689  -7.108   1.849 -32.208
  730    HH   TYR 689           HH       TYR 689  -9.891   2.983 -34.198
  731    H    GLU 690           H        GLU 690  -5.721   4.979 -26.501
  732    HA   GLU 690           HA       GLU 690  -5.566   2.158 -26.728
  733    HB2  GLU 690           HB2      GLU 690  -3.860   3.874 -25.889
  734    HB3  GLU 690           HB3      GLU 690  -4.716   3.786 -24.364
  735    HG2  GLU 690           HG2      GLU 690  -2.829   2.306 -24.256
  736    HG3  GLU 690           HG3      GLU 690  -4.273   1.302 -24.317
  737    H    LEU 691           H        LEU 691  -7.449   4.178 -24.472
  738    HA   LEU 691           HA       LEU 691  -8.425   1.918 -22.894
  739    HB2  LEU 691           HB2      LEU 691  -9.396   3.486 -21.561
  740    HB3  LEU 691           HB3      LEU 691  -8.091   4.376 -22.251
  741    HG   LEU 691           HG       LEU 691 -10.165   4.950 -24.048
  742   HD11  LEU 691          HD11      LEU 691 -12.050   5.662 -22.551
  743   HD12  LEU 691          HD12      LEU 691 -11.913   3.930 -22.790
  744   HD13  LEU 691          HD13      LEU 691 -11.356   4.653 -21.257
  745   HD21  LEU 691          HD21      LEU 691  -8.596   6.521 -23.036
  746   HD22  LEU 691          HD22      LEU 691 -10.260   7.098 -22.757
  747   HD23  LEU 691          HD23      LEU 691  -9.343   6.280 -21.455
  748    HA   PRO 692           HA       PRO 692 -11.569   0.416 -25.490
  749    HB2  PRO 692           HB2      PRO 692 -13.883   0.066 -24.071
  750    HB3  PRO 692           HB3      PRO 692 -12.379  -0.841 -23.697
  751    HG2  PRO 692           HG2      PRO 692 -13.264   1.821 -22.499
  752    HG3  PRO 692           HG3      PRO 692 -12.936   0.293 -21.584
  753    HD2  PRO 692           HD2      PRO 692 -11.033   2.113 -21.813
  754    HD3  PRO 692           HD3      PRO 692 -10.592   0.429 -22.194
  755    H    GLU 693           H        GLU 693 -13.130   0.976 -27.011
  756    HA   GLU 693           HA       GLU 693 -13.717   3.656 -27.521
  757    HB2  GLU 693           HB2      GLU 693 -13.679   1.693 -29.099
  758    HB3  GLU 693           HB3      GLU 693 -15.207   1.155 -28.419
  759    HG2  GLU 693           HG2      GLU 693 -15.592   2.287 -30.518
  760    HG3  GLU 693           HG3      GLU 693 -16.302   3.220 -29.211
  761    H    ALA 694           H        ALA 694 -15.628   1.291 -25.665
  762    HA   ALA 694           HA       ALA 694 -18.045   2.796 -25.570
  763    HB1  ALA 694           HB1      ALA 694 -17.880   0.403 -25.139
  764    HB2  ALA 694           HB2      ALA 694 -16.887   0.704 -23.682
  765    HB3  ALA 694           HB3      ALA 694 -18.598   1.227 -23.735
  766    H    VAL 695           H        VAL 695 -15.302   2.569 -23.219
  767    HA   VAL 695           HA       VAL 695 -16.573   4.474 -21.404
  768    HB   VAL 695           HB       VAL 695 -13.667   3.654 -21.519
  769   HG11  VAL 695          HG11      VAL 695 -15.317   4.995 -19.339
  770   HG12  VAL 695          HG12      VAL 695 -13.716   4.270 -19.068
  771   HG13  VAL 695          HG13      VAL 695 -13.878   5.648 -20.168
  772   HG21  VAL 695          HG21      VAL 695 -14.120   2.009 -19.801
  773   HG22  VAL 695          HG22      VAL 695 -15.825   2.520 -19.681
  774   HG23  VAL 695          HG23      VAL 695 -15.238   1.675 -21.118
  775    H    GLN 696           H        GLN 696 -14.296   4.662 -24.200
  776    HA   GLN 696           HA       GLN 696 -13.780   7.416 -23.911
  777    HB2  GLN 696           HB2      GLN 696 -14.121   5.811 -26.494
  778    HB3  GLN 696           HB3      GLN 696 -13.570   7.476 -26.442
  779    HG2  GLN 696           HG2      GLN 696 -11.543   6.846 -25.258
  780    HG3  GLN 696           HG3      GLN 696 -12.105   5.189 -25.120
  781   HE21  GLN 696          HE22      GLN 696 -10.951   3.909 -26.555
  782   HE22  GLN 696          HE21      GLN 696 -10.745   4.277 -28.249
  783    H    LYS 697           H        LYS 697 -16.531   5.668 -25.461
  784    HA   LYS 697           HA       LYS 697 -18.002   7.793 -26.493
  785    HB2  LYS 697           HB2      LYS 697 -18.446   5.062 -26.132
  786    HB3  LYS 697           HB3      LYS 697 -19.605   5.743 -25.015
  787    HG2  LYS 697           HG2      LYS 697 -20.985   5.851 -26.766
  788    HG3  LYS 697           HG3      LYS 697 -20.100   7.296 -27.239
  789    HD2  LYS 697           HD2      LYS 697 -19.570   4.431 -28.169
  790    HD3  LYS 697           HD3      LYS 697 -20.345   5.721 -29.118
  791    HE2  LYS 697           HE2      LYS 697 -18.164   7.056 -28.865
  792    HE3  LYS 697           HE3      LYS 697 -17.434   5.582 -28.196
  793    HZ1  LYS 697           HZ1      LYS 697 -16.957   5.579 -30.475
  794    HZ2  LYS 697           HZ2      LYS 697 -18.185   4.487 -30.348
  795    HZ3  LYS 697           HZ3      LYS 697 -18.484   5.987 -30.943
  796    H    GLU 698           H        GLU 698 -17.984   6.579 -23.133
  797    HA   GLU 698           HA       GLU 698 -19.896   8.390 -22.049
  798    HB2  GLU 698           HB2      GLU 698 -18.141   6.497 -20.852
  799    HB3  GLU 698           HB3      GLU 698 -17.523   8.032 -20.258
  800    HG2  GLU 698           HG2      GLU 698 -19.043   7.721 -18.648
  801    HG3  GLU 698           HG3      GLU 698 -20.090   8.566 -19.776
  802    H    LEU 699           H        LEU 699 -16.378   8.614 -22.251
  803    HA   LEU 699           HA       LEU 699 -16.062  11.123 -21.034
  804    HB2  LEU 699           HB2      LEU 699 -14.459   9.349 -22.878
  805    HB3  LEU 699           HB3      LEU 699 -13.876  10.945 -22.588
  806    HG   LEU 699           HG       LEU 699 -13.242  10.541 -20.445
  807   HD11  LEU 699          HD11      LEU 699 -14.132   8.939 -18.851
  808   HD12  LEU 699          HD12      LEU 699 -15.394  10.028 -19.389
  809   HD13  LEU 699          HD13      LEU 699 -15.306   8.362 -20.049
  810   HD21  LEU 699          HD21      LEU 699 -13.328   7.755 -21.682
  811   HD22  LEU 699          HD22      LEU 699 -12.062   8.989 -21.921
  812   HD23  LEU 699          HD23      LEU 699 -12.307   8.220 -20.344
  813    H    LEU 700           H        LEU 700 -15.944  10.491 -24.595
  814    HA   LEU 700           HA       LEU 700 -15.689  13.251 -25.165
  815    HB2  LEU 700           HB2      LEU 700 -16.241  12.700 -27.493
  816    HB3  LEU 700           HB3      LEU 700 -15.008  11.690 -26.777
  817    HG   LEU 700           HG       LEU 700 -17.296  10.216 -26.270
  818   HD11  LEU 700          HD11      LEU 700 -17.652  11.356 -29.061
  819   HD12  LEU 700          HD12      LEU 700 -18.606  10.057 -28.306
  820   HD13  LEU 700          HD13      LEU 700 -18.701  11.699 -27.664
  821   HD21  LEU 700          HD21      LEU 700 -16.488   8.684 -27.976
  822   HD22  LEU 700          HD22      LEU 700 -15.540   9.992 -28.747
  823   HD23  LEU 700          HD23      LEU 700 -15.114   9.404 -27.128
  824    H    ALA 701           H        ALA 701 -18.661  11.251 -24.839
  825    HA   ALA 701           HA       ALA 701 -20.360  13.355 -25.848
  826    HB1  ALA 701           HB1      ALA 701 -22.182  11.930 -24.993
  827    HB2  ALA 701           HB2      ALA 701 -20.976  10.946 -25.855
  828    HB3  ALA 701           HB3      ALA 701 -21.016  10.953 -24.075
  829    H    GLU 702           H        GLU 702 -19.496  12.270 -22.516
  830    HA   GLU 702           HA       GLU 702 -21.057  14.333 -21.233
  831    HB2  GLU 702           HB2      GLU 702 -18.634  12.745 -20.277
  832    HB3  GLU 702           HB3      GLU 702 -19.602  13.837 -19.293
  833    HG2  GLU 702           HG2      GLU 702 -20.431  11.172 -20.344
  834    HG3  GLU 702           HG3      GLU 702 -20.235  11.721 -18.688
  835    H    TRP 703           H        TRP 703 -17.658  14.202 -22.406
  836    HA   TRP 703           HA       TRP 703 -16.856  16.480 -21.008
  837    HB2  TRP 703           HB2      TRP 703 -15.878  15.402 -23.681
  838    HB3  TRP 703           HB3      TRP 703 -15.099  16.728 -22.849
  839    HD1  TRP 703           HD1      TRP 703 -15.270  14.922 -19.912
  840    HE1  TRP 703           HE1      TRP 703 -13.596  13.010 -19.633
  841    HE3  TRP 703           HE3      TRP 703 -13.736  14.418 -24.754
  842    HZ2  TRP 703           HZ2      TRP 703 -11.340  11.882 -21.172
  843    HZ3  TRP 703           HZ3      TRP 703 -11.941  12.823 -25.330
  844    HH2  TRP 703           HH2      TRP 703 -10.789  11.531 -23.560
  845    H    LYS 704           H        LYS 704 -18.269  16.161 -24.332
  846    HA   LYS 704           HA       LYS 704 -18.253  19.052 -24.669
  847    HB2  LYS 704           HB2      LYS 704 -19.265  18.707 -26.782
  848    HB3  LYS 704           HB3      LYS 704 -18.003  17.502 -26.550
  849    HG2  LYS 704           HG2      LYS 704 -19.795  15.830 -25.969
  850    HG3  LYS 704           HG3      LYS 704 -21.020  17.047 -26.370
  851    HD2  LYS 704           HD2      LYS 704 -20.211  17.185 -28.662
  852    HD3  LYS 704           HD3      LYS 704 -18.818  16.141 -28.292
  853    HE2  LYS 704           HE2      LYS 704 -20.253  14.247 -27.823
  854    HE3  LYS 704           HE3      LYS 704 -21.712  15.235 -27.986
  855    HZ1  LYS 704           HZ1      LYS 704 -21.283  13.951 -30.008
  856    HZ2  LYS 704           HZ2      LYS 704 -21.190  15.537 -30.338
  857    HZ3  LYS 704           HZ3      LYS 704 -19.820  14.647 -30.213
  858    H    ARG 705           H        ARG 705 -20.674  16.704 -23.487
  859    HA   ARG 705           HA       ARG 705 -22.935  18.458 -23.587
  860    HB2  ARG 705           HB2      ARG 705 -22.161  16.008 -21.985
  861    HB3  ARG 705           HB3      ARG 705 -23.524  16.964 -21.420
  862    HG2  ARG 705           HG2      ARG 705 -24.785  16.654 -23.357
  863    HG3  ARG 705           HG3      ARG 705 -23.412  16.087 -24.305
  864    HD2  ARG 705           HD2      ARG 705 -25.187  14.346 -23.502
  865    HD3  ARG 705           HD3      ARG 705 -23.463  13.960 -23.467
  866    HE   ARG 705           HE       ARG 705 -23.621  13.544 -21.289
  867   HH11  ARG 705          HH21      ARG 705 -26.414  15.657 -21.948
  868   HH12  ARG 705          HH22      ARG 705 -26.912  15.697 -20.294
  869   HH21  ARG 705          HH11      ARG 705 -24.111  13.778 -19.152
  870   HH22  ARG 705          HH12      ARG 705 -25.596  14.546 -18.650
  871    H    THR 706           H        THR 706 -20.554  17.850 -20.948
  872    HA   THR 706           HA       THR 706 -21.782  19.847 -19.240
  873    HB   THR 706           HB       THR 706 -19.657  19.505 -17.889
  874    HG1  THR 706           HG1      THR 706 -19.147  17.398 -19.746
  875   HG21  THR 706          HG21      THR 706 -20.207  17.222 -17.175
  876   HG22  THR 706          HG22      THR 706 -21.689  18.147 -17.454
  877   HG23  THR 706          HG23      THR 706 -21.162  16.952 -18.651
  878    H    GLY 707           H        GLY 707 -18.699  19.691 -21.100
  879    HA2  GLY 707           HA2      GLY 707 -18.065  21.227 -22.689
  880    HA3  GLY 707           HA3      GLY 707 -19.062  22.495 -21.943
  Start of MODEL   10
    1    H1   MET   1           H1       MET   1   5.301  -0.995  -2.843
    2    H2   MET   1           H2       MET   1   3.775  -1.519  -3.042
    3    H3   MET   1           H3       MET   1   5.002  -2.610  -2.834
    4    HA   MET   1           HA       MET   1   6.041  -1.904  -4.900
    5    HB2  MET   1           HB2      MET   1   4.640  -2.968  -6.478
    6    HB3  MET   1           HB3      MET   1   4.505  -3.871  -4.972
    7    HG2  MET   1           HG2      MET   1   2.251  -2.762  -4.627
    8    HG3  MET   1           HG3      MET   1   2.451  -1.964  -6.203
    9    HE1  MET   1           HE1      MET   1  -0.155  -4.553  -7.369
   10    HE2  MET   1           HE2      MET   1  -0.074  -3.144  -6.279
   11    HE3  MET   1           HE3      MET   1   0.641  -3.060  -7.922
   12    H    GLN   2           H        GLN   2   5.119  -1.022  -7.281
   13    HA   GLN   2           HA       GLN   2   3.692   1.518  -6.842
   14    HB2  GLN   2           HB2      GLN   2   5.382   2.786  -7.880
   15    HB3  GLN   2           HB3      GLN   2   6.235   1.719  -6.752
   16    HG2  GLN   2           HG2      GLN   2   6.767   0.188  -8.663
   17    HG3  GLN   2           HG3      GLN   2   6.078   1.378  -9.774
   18   HE21  GLN   2          HE22      GLN   2   8.793   0.494  -9.976
   19   HE22  GLN   2          HE21      GLN   2   9.827   1.851  -9.601
   20    H    ILE   3           H        ILE   3   2.649   2.316  -8.719
   21    HA   ILE   3           HA       ILE   3   2.706   0.580 -11.186
   22    HB   ILE   3           HB       ILE   3   0.203   0.703 -11.276
   23   HG12  ILE   3          HG12      ILE   3   0.062   0.780  -8.301
   24   HG13  ILE   3          HG13      ILE   3   0.330   2.342  -9.058
   25   HG21  ILE   3          HG21      ILE   3  -0.107  -1.347  -9.959
   26   HG22  ILE   3          HG22      ILE   3   1.487  -1.379 -10.717
   27   HG23  ILE   3          HG23      ILE   3   1.341  -1.010  -8.989
   28   HD11  ILE   3          HD11      ILE   3  -1.635   2.178 -10.377
   29   HD12  ILE   3          HD12      ILE   3  -1.921   0.488  -9.878
   30   HD13  ILE   3          HD13      ILE   3  -2.062   1.806  -8.689
   31    H    PHE   4           H        PHE   4   1.933   1.605 -13.024
   32    HA   PHE   4           HA       PHE   4   2.550   4.507 -12.899
   33    HB2  PHE   4           HB2      PHE   4   2.686   2.825 -15.389
   34    HB3  PHE   4           HB3      PHE   4   3.545   4.293 -14.935
   35    HD1  PHE   4           HD2      PHE   4   4.928   3.925 -12.621
   36    HD2  PHE   4           HD1      PHE   4   4.069   0.921 -15.560
   37    HE1  PHE   4           HE2      PHE   4   6.809   2.551 -11.759
   38    HE2  PHE   4           HE1      PHE   4   6.053  -0.365 -14.794
   39    HZ   PHE   4           HZ       PHE   4   7.440   0.442 -12.925
   40    H    VAL   5           H        VAL   5   0.576   5.578 -12.794
   41    HA   VAL   5           HA       VAL   5  -1.662   4.572 -14.481
   42    HB   VAL   5           HB       VAL   5  -1.716   6.850 -12.501
   43   HG11  VAL   5          HG11      VAL   5  -3.457   6.909 -14.252
   44   HG12  VAL   5          HG12      VAL   5  -3.970   5.265 -13.847
   45   HG13  VAL   5          HG13      VAL   5  -4.144   6.561 -12.652
   46   HG21  VAL   5          HG21      VAL   5  -2.197   3.865 -12.200
   47   HG22  VAL   5          HG22      VAL   5  -1.224   4.932 -11.197
   48   HG23  VAL   5          HG23      VAL   5  -3.002   5.025 -11.144
   49    H    LYS   6           H        LYS   6  -1.333   5.059 -16.591
   50    HA   LYS   6           HA       LYS   6  -0.089   7.552 -17.446
   51    HB2  LYS   6           HB2      LYS   6  -0.268   5.264 -18.734
   52    HB3  LYS   6           HB3      LYS   6  -1.905   5.804 -19.138
   53    HG2  LYS   6           HG2      LYS   6  -0.723   8.051 -19.882
   54    HG3  LYS   6           HG3      LYS   6   0.769   7.118 -19.764
   55    HD2  LYS   6           HD2      LYS   6  -0.645   5.387 -21.268
   56    HD3  LYS   6           HD3      LYS   6  -1.573   6.860 -21.659
   57    HE2  LYS   6           HE2      LYS   6   0.085   6.605 -23.362
   58    HE3  LYS   6           HE3      LYS   6   0.599   7.965 -22.344
   59    HZ1  LYS   6           HZ1      LYS   6   2.244   6.440 -21.302
   60    HZ2  LYS   6           HZ2      LYS   6   1.702   5.185 -22.224
   61    HZ3  LYS   6           HZ3      LYS   6   2.442   6.456 -22.922
   62    H    THR   7           H        THR   7  -1.183   9.541 -17.472
   63    HA   THR   7           HA       THR   7  -4.088   9.452 -17.243
   64    HB   THR   7           HB       THR   7  -4.013  11.773 -17.299
   65    HG1  THR   7           HG1      THR   7  -1.781  12.744 -17.318
   66   HG21  THR   7          HG21      THR   7  -1.898  10.731 -15.392
   67   HG22  THR   7          HG22      THR   7  -2.821  12.253 -15.223
   68   HG23  THR   7          HG23      THR   7  -3.671  10.710 -15.155
   69    H    LEU   8           H        LEU   8  -5.409  10.678 -18.677
   70    HA   LEU   8           HA       LEU   8  -5.010   9.662 -21.332
   71    HB2  LEU   8           HB2      LEU   8  -6.955  11.774 -20.425
   72    HB3  LEU   8           HB3      LEU   8  -6.809  11.146 -22.073
   73    HG   LEU   8           HG       LEU   8  -7.898   9.803 -19.643
   74   HD11  LEU   8          HD11      LEU   8  -8.899  10.168 -22.440
   75   HD12  LEU   8          HD12      LEU   8  -9.707   9.200 -21.169
   76   HD13  LEU   8          HD13      LEU   8  -9.502  10.916 -20.936
   77   HD21  LEU   8          HD21      LEU   8  -6.869   8.427 -22.171
   78   HD22  LEU   8          HD22      LEU   8  -6.367   8.081 -20.472
   79   HD23  LEU   8          HD23      LEU   8  -7.961   7.644 -21.022
   80    H    THR   9           H        THR   9  -3.568  12.484 -19.851
   81    HA   THR   9           HA       THR   9  -3.373  13.903 -22.341
   82    HB   THR   9           HB       THR   9  -3.494  15.208 -20.479
   83    HG1  THR   9           HG1      THR   9  -2.141  16.642 -21.035
   84   HG21  THR   9          HG21      THR   9  -1.587  15.434 -18.807
   85   HG22  THR   9          HG22      THR   9  -2.694  14.075 -18.629
   86   HG23  THR   9          HG23      THR   9  -1.065  13.827 -19.353
   87    H    GLY  10           H        GLY  10  -1.857  11.148 -21.047
   88    HA2  GLY  10           HA2      GLY  10  -0.071   9.937 -21.909
   89    HA3  GLY  10           HA3      GLY  10   0.438  11.340 -22.876
   90    H    LYS  11           H        LYS  11  -0.292  11.324 -19.290
   91    HA   LYS  11           HA       LYS  11   2.680  11.625 -18.855
   92    HB2  LYS  11           HB2      LYS  11   1.652  13.737 -18.391
   93    HB3  LYS  11           HB3      LYS  11   0.385  12.998 -17.418
   94    HG2  LYS  11           HG2      LYS  11   3.243  12.471 -16.634
   95    HG3  LYS  11           HG3      LYS  11   2.621  14.098 -16.359
   96    HD2  LYS  11           HD2      LYS  11   1.543  11.507 -15.191
   97    HD3  LYS  11           HD3      LYS  11   2.494  12.714 -14.344
   98    HE2  LYS  11           HE2      LYS  11  -0.309  13.182 -15.506
   99    HE3  LYS  11           HE3      LYS  11   0.036  12.688 -13.858
  100    HZ1  LYS  11           HZ1      LYS  11   1.252  14.759 -13.517
  101    HZ2  LYS  11           HZ2      LYS  11   0.865  15.289 -15.033
  102    HZ3  LYS  11           HZ3      LYS  11  -0.311  14.994 -13.902
  103    H    THR  12           H        THR  12   3.413   9.803 -17.827
  104    HA   THR  12           HA       THR  12   1.407   8.186 -16.397
  105    HB   THR  12           HB       THR  12   4.249   7.335 -16.679
  106    HG1  THR  12           HG1      THR  12   4.092   6.969 -18.835
  107   HG21  THR  12          HG21      THR  12   2.225   6.027 -15.725
  108   HG22  THR  12          HG22      THR  12   1.631   5.918 -17.417
  109   HG23  THR  12          HG23      THR  12   3.184   5.187 -16.985
  110    H    ILE  13           H        ILE  13   0.974   8.485 -14.418
  111    HA   ILE  13           HA       ILE  13   3.042   9.668 -12.663
  112    HB   ILE  13           HB       ILE  13   1.397  11.024 -12.355
  113   HG12  ILE  13          HG12      ILE  13   1.638   9.364 -10.178
  114   HG13  ILE  13          HG13      ILE  13   0.820  10.896 -10.217
  115   HG21  ILE  13          HG21      ILE  13  -1.010  10.747 -12.312
  116   HG22  ILE  13          HG22      ILE  13  -0.277  10.333 -13.880
  117   HG23  ILE  13          HG23      ILE  13  -0.806   9.025 -12.801
  118   HD11  ILE  13          HD11      ILE  13  -0.371   8.953  -9.088
  119   HD12  ILE  13          HD12      ILE  13  -1.321   9.971 -10.184
  120   HD13  ILE  13          HD13      ILE  13  -0.689   8.348 -10.705
  121    H    THR  14           H        THR  14   4.193   8.234 -11.619
  122    HA   THR  14           HA       THR  14   3.244   5.527 -11.166
  123    HB   THR  14           HB       THR  14   5.684   6.961 -10.140
  124    HG1  THR  14           HG1      THR  14   6.714   6.370 -12.004
  125   HG21  THR  14          HG21      THR  14   6.630   4.513 -10.305
  126   HG22  THR  14          HG22      THR  14   5.496   4.832  -8.995
  127   HG23  THR  14          HG23      THR  14   4.943   3.969 -10.444
  128    H    LEU  15           H        LEU  15   2.539   4.748  -9.151
  129    HA   LEU  15           HA       LEU  15   2.688   6.539  -6.814
  130    HB2  LEU  15           HB2      LEU  15   0.335   6.266  -6.312
  131    HB3  LEU  15           HB3      LEU  15   0.561   7.035  -7.890
  132    HG   LEU  15           HG       LEU  15   0.154   4.558  -8.793
  133   HD11  LEU  15          HD11      LEU  15  -0.052   3.504  -6.575
  134   HD12  LEU  15          HD12      LEU  15  -1.349   4.652  -6.133
  135   HD13  LEU  15          HD13      LEU  15  -1.614   3.461  -7.404
  136   HD21  LEU  15          HD21      LEU  15  -2.019   6.413  -7.729
  137   HD22  LEU  15          HD22      LEU  15  -1.207   6.505  -9.328
  138   HD23  LEU  15          HD23      LEU  15  -2.249   5.130  -8.937
  139    H    GLU  16           H        GLU  16   2.589   5.449  -4.814
  140    HA   GLU  16           HA       GLU  16   3.392   2.644  -5.164
  141    HB2  GLU  16           HB2      GLU  16   4.183   4.840  -3.240
  142    HB3  GLU  16           HB3      GLU  16   4.372   3.145  -2.759
  143    HG2  GLU  16           HG2      GLU  16   5.691   2.651  -4.722
  144    HG3  GLU  16           HG3      GLU  16   5.504   4.295  -5.335
  145    H    VAL  17           H        VAL  17   2.272   1.124  -4.405
  146    HA   VAL  17           HA       VAL  17   0.149   1.370  -2.351
  147    HB   VAL  17           HB       VAL  17  -1.482   0.359  -4.100
  148   HG11  VAL  17          HG11      VAL  17  -0.640   3.231  -4.432
  149   HG12  VAL  17          HG12      VAL  17  -2.196   2.505  -4.895
  150   HG13  VAL  17          HG13      VAL  17  -1.713   2.575  -3.195
  151   HG21  VAL  17          HG21      VAL  17   0.603   1.424  -6.062
  152   HG22  VAL  17          HG22      VAL  17   0.051  -0.257  -5.873
  153   HG23  VAL  17          HG23      VAL  17  -1.072   1.011  -6.427
  154    H    GLU  18           H        GLU  18  -1.137  -0.965  -2.895
  155    HA   GLU  18           HA       GLU  18   0.921  -3.107  -2.651
  156    HB2  GLU  18           HB2      GLU  18  -1.700  -2.947  -1.081
  157    HB3  GLU  18           HB3      GLU  18  -0.437  -4.169  -0.936
  158    HG2  GLU  18           HG2      GLU  18   1.120  -2.308  -0.159
  159    HG3  GLU  18           HG3      GLU  18  -0.311  -1.255  -0.120
  160    HA   PRO  19           HA       PRO  19  -1.811  -4.973  -5.764
  161    HB2  PRO  19           HB2      PRO  19  -1.702  -7.498  -4.171
  162    HB3  PRO  19           HB3      PRO  19  -1.366  -7.224  -5.916
  163    HG2  PRO  19           HG2      PRO  19   0.614  -7.641  -4.053
  164    HG3  PRO  19           HG3      PRO  19   0.821  -6.586  -5.479
  165    HD2  PRO  19           HD2      PRO  19   0.339  -5.821  -2.615
  166    HD3  PRO  19           HD3      PRO  19   1.269  -4.969  -3.890
  167    H    SER  20           H        SER  20  -2.508  -5.217  -2.278
  168    HA   SER  20           HA       SER  20  -5.376  -5.825  -2.783
  169    HB2  SER  20           HB2      SER  20  -3.827  -5.782  -0.156
  170    HB3  SER  20           HB3      SER  20  -5.460  -6.421  -0.440
  171    HG   SER  20           HG       SER  20  -3.867  -8.094  -0.390
  172    H    ASP  21           H        ASP  21  -3.657  -3.139  -3.063
  173    HA   ASP  21           HA       ASP  21  -5.183  -1.541  -1.205
  174    HB2  ASP  21           HB2      ASP  21  -2.913  -0.810  -2.009
  175    HB3  ASP  21           HB3      ASP  21  -3.647  -0.554  -3.616
  176    H    THR  22           H        THR  22  -7.026  -0.431  -1.714
  177    HA   THR  22           HA       THR  22  -8.555  -1.549  -3.838
  178    HB   THR  22           HB       THR  22 -10.332   0.122  -3.024
  179    HG1  THR  22           HG1      THR  22  -9.872   0.893  -0.859
  180   HG21  THR  22          HG21      THR  22 -10.354  -2.237  -2.506
  181   HG22  THR  22          HG22      THR  22  -9.243  -1.979  -1.121
  182   HG23  THR  22          HG23      THR  22 -10.889  -1.287  -1.118
  183    H    ILE  23           H        ILE  23  -9.415  -0.635  -5.578
  184    HA   ILE  23           HA       ILE  23  -8.226   1.423  -7.040
  185    HB   ILE  23           HB       ILE  23 -11.148   0.661  -6.928
  186   HG12  ILE  23          HG12      ILE  23 -10.179  -1.334  -7.456
  187   HG13  ILE  23          HG13      ILE  23 -10.470  -0.634  -9.031
  188   HG21  ILE  23          HG21      ILE  23  -9.605   2.056  -9.131
  189   HG22  ILE  23          HG22      ILE  23 -11.281   1.479  -9.274
  190   HG23  ILE  23          HG23      ILE  23 -10.886   2.777  -8.144
  191   HD11  ILE  23          HD11      ILE  23  -8.349  -1.743  -9.047
  192   HD12  ILE  23          HD12      ILE  23  -8.053   0.013  -9.152
  193   HD13  ILE  23          HD13      ILE  23  -7.812  -0.857  -7.613
  194    H    GLU  24           H        GLU  24 -10.874   1.882  -4.571
  195    HA   GLU  24           HA       GLU  24 -11.239   4.618  -4.997
  196    HB2  GLU  24           HB2      GLU  24 -12.495   3.066  -3.381
  197    HB3  GLU  24           HB3      GLU  24 -11.167   3.277  -2.255
  198    HG2  GLU  24           HG2      GLU  24 -11.563   5.733  -2.238
  199    HG3  GLU  24           HG3      GLU  24 -12.867   5.538  -3.411
  200    H    ASN  25           H        ASN  25  -8.717   2.999  -3.035
  201    HA   ASN  25           HA       ASN  25  -7.671   5.552  -2.099
  202    HB2  ASN  25           HB2      ASN  25  -7.642   3.433  -0.738
  203    HB3  ASN  25           HB3      ASN  25  -6.492   2.764  -1.891
  204   HD21  ASN  25          HD22      ASN  25  -4.791   2.570  -0.474
  205   HD22  ASN  25          HD21      ASN  25  -4.039   3.907   0.406
  206    H    VAL  26           H        VAL  26  -6.978   3.324  -4.786
  207    HA   VAL  26           HA       VAL  26  -4.491   4.530  -5.558
  208    HB   VAL  26           HB       VAL  26  -6.699   3.073  -7.025
  209   HG11  VAL  26          HG11      VAL  26  -5.541   4.373  -8.648
  210   HG12  VAL  26          HG12      VAL  26  -3.949   3.915  -7.996
  211   HG13  VAL  26          HG13      VAL  26  -4.956   2.693  -8.809
  212   HG21  VAL  26          HG21      VAL  26  -5.522   1.093  -6.819
  213   HG22  VAL  26          HG22      VAL  26  -3.976   1.904  -6.433
  214   HG23  VAL  26          HG23      VAL  26  -5.268   1.817  -5.238
  215    H    LYS  27           H        LYS  27  -7.919   5.072  -6.727
  216    HA   LYS  27           HA       LYS  27  -7.316   7.383  -8.222
  217    HB2  LYS  27           HB2      LYS  27  -9.835   6.822  -6.554
  218    HB3  LYS  27           HB3      LYS  27  -9.710   8.123  -7.728
  219    HG2  LYS  27           HG2      LYS  27  -9.439   6.393  -9.539
  220    HG3  LYS  27           HG3      LYS  27  -9.817   5.154  -8.320
  221    HD2  LYS  27           HD2      LYS  27 -11.878   6.659  -7.776
  222    HD3  LYS  27           HD3      LYS  27 -11.523   7.476  -9.299
  223    HE2  LYS  27           HE2      LYS  27 -11.906   5.411 -10.541
  224    HE3  LYS  27           HE3      LYS  27 -12.152   4.528  -9.017
  225    HZ1  LYS  27           HZ1      LYS  27 -14.279   5.281 -10.093
  226    HZ2  LYS  27           HZ2      LYS  27 -14.114   5.801  -8.565
  227    HZ3  LYS  27           HZ3      LYS  27 -13.857   6.856  -9.824
  228    H    ALA  28           H        ALA  28  -7.797   7.149  -4.635
  229    HA   ALA  28           HA       ALA  28  -7.802   9.991  -4.234
  230    HB1  ALA  28           HB1      ALA  28  -7.243   9.498  -1.924
  231    HB2  ALA  28           HB2      ALA  28  -8.508   8.371  -2.476
  232    HB3  ALA  28           HB3      ALA  28  -6.808   7.829  -2.324
  233    H    LYS  29           H        LYS  29  -5.124   7.602  -4.581
  234    HA   LYS  29           HA       LYS  29  -3.058   9.575  -3.985
  235    HB2  LYS  29           HB2      LYS  29  -2.999   6.914  -5.443
  236    HB3  LYS  29           HB3      LYS  29  -1.566   7.920  -5.141
  237    HG2  LYS  29           HG2      LYS  29  -1.836   7.794  -2.769
  238    HG3  LYS  29           HG3      LYS  29  -3.451   7.088  -2.904
  239    HD2  LYS  29           HD2      LYS  29  -2.592   4.991  -3.729
  240    HD3  LYS  29           HD3      LYS  29  -0.938   5.619  -3.832
  241    HE2  LYS  29           HE2      LYS  29  -2.381   5.838  -1.191
  242    HE3  LYS  29           HE3      LYS  29  -1.901   4.222  -1.705
  243    HZ1  LYS  29           HZ1      LYS  29  -0.016   6.508  -1.407
  244    HZ2  LYS  29           HZ2      LYS  29  -0.191   5.279  -0.348
  245    HZ3  LYS  29           HZ3      LYS  29   0.406   4.965  -1.832
  246    H    ILE  30           H        ILE  30  -4.901   8.677  -6.891
  247    HA   ILE  30           HA       ILE  30  -3.367  10.419  -8.628
  248    HB   ILE  30           HB       ILE  30  -6.305   9.847  -8.963
  249   HG12  ILE  30          HG12      ILE  30  -5.417   7.666  -8.813
  250   HG13  ILE  30          HG13      ILE  30  -5.628   7.996 -10.519
  251   HG21  ILE  30          HG21      ILE  30  -4.062  10.569 -10.890
  252   HG22  ILE  30          HG22      ILE  30  -5.705  10.112 -11.374
  253   HG23  ILE  30          HG23      ILE  30  -5.462  11.580 -10.431
  254   HD11  ILE  30          HD11      ILE  30  -3.629   6.808  -9.910
  255   HD12  ILE  30          HD12      ILE  30  -3.189   8.356 -10.718
  256   HD13  ILE  30          HD13      ILE  30  -3.021   8.176  -8.961
  257    H    GLN  31           H        GLN  31  -6.221  11.027  -6.569
  258    HA   GLN  31           HA       GLN  31  -6.520  13.770  -7.140
  259    HB2  GLN  31           HB2      GLN  31  -8.050  12.350  -5.705
  260    HB3  GLN  31           HB3      GLN  31  -6.866  12.553  -4.406
  261    HG2  GLN  31           HG2      GLN  31  -7.256  15.174  -5.030
  262    HG3  GLN  31           HG3      GLN  31  -8.824  14.541  -5.496
  263   HE21  GLN  31          HE22      GLN  31 -10.219  13.620  -3.796
  264   HE22  GLN  31          HE21      GLN  31  -9.816  13.818  -2.108
  265    H    ASP  32           H        ASP  32  -4.326  12.074  -4.881
  266    HA   ASP  32           HA       ASP  32  -3.133  14.422  -3.804
  267    HB2  ASP  32           HB2      ASP  32  -2.887  12.212  -2.790
  268    HB3  ASP  32           HB3      ASP  32  -1.901  11.675  -4.146
  269    H    LYS  33           H        LYS  33  -2.400  12.583  -6.835
  270    HA   LYS  33           HA       LYS  33   0.021  14.155  -7.298
  271    HB2  LYS  33           HB2      LYS  33  -1.367  11.917  -8.753
  272    HB3  LYS  33           HB3      LYS  33   0.157  12.657  -9.248
  273    HG2  LYS  33           HG2      LYS  33  -0.126  11.586  -6.399
  274    HG3  LYS  33           HG3      LYS  33   0.089  10.467  -7.707
  275    HD2  LYS  33           HD2      LYS  33   2.170  11.857  -8.419
  276    HD3  LYS  33           HD3      LYS  33   2.000  12.667  -6.841
  277    HE2  LYS  33           HE2      LYS  33   2.045  10.350  -5.778
  278    HE3  LYS  33           HE3      LYS  33   2.366   9.679  -7.391
  279    HZ1  LYS  33           HZ1      LYS  33   4.438  10.976  -7.442
  280    HZ2  LYS  33           HZ2      LYS  33   4.125  11.615  -5.961
  281    HZ3  LYS  33           HZ3      LYS  33   4.426  10.016  -6.122
  282    H    GLU  34           H        GLU  34  -3.202  13.962  -8.565
  283    HA   GLU  34           HA       GLU  34  -2.618  15.798 -10.798
  284    HB2  GLU  34           HB2      GLU  34  -4.798  13.701 -10.369
  285    HB3  GLU  34           HB3      GLU  34  -4.626  14.705 -11.814
  286    HG2  GLU  34           HG2      GLU  34  -2.811  12.509 -10.813
  287    HG3  GLU  34           HG3      GLU  34  -3.686  12.597 -12.347
  288    H    GLY  35           H        GLY  35  -4.818  15.245  -8.074
  289    HA2  GLY  35           HA2      GLY  35  -5.795  17.027  -6.856
  290    HA3  GLY  35           HA3      GLY  35  -5.813  18.035  -8.305
  291    H    ILE  36           H        ILE  36  -6.918  14.804  -8.943
  292    HA   ILE  36           HA       ILE  36  -9.585  15.967  -9.414
  293    HB   ILE  36           HB       ILE  36  -8.303  13.367 -10.317
  294   HG12  ILE  36          HG12      ILE  36  -8.642  15.990 -11.878
  295   HG13  ILE  36          HG13      ILE  36  -7.115  15.463 -11.163
  296   HG21  ILE  36          HG21      ILE  36 -10.857  13.458 -10.335
  297   HG22  ILE  36          HG22      ILE  36 -10.730  14.845 -11.434
  298   HG23  ILE  36          HG23      ILE  36 -10.138  13.233 -11.922
  299   HD11  ILE  36          HD11      ILE  36  -7.218  13.377 -12.482
  300   HD12  ILE  36          HD12      ILE  36  -8.647  14.030 -13.337
  301   HD13  ILE  36          HD13      ILE  36  -7.079  14.853 -13.468
  302    HA   PRO  37           HA       PRO  37 -10.914  13.452  -5.889
  303    HB2  PRO  37           HB2      PRO  37 -13.690  13.869  -6.200
  304    HB3  PRO  37           HB3      PRO  37 -12.540  14.886  -5.263
  305    HG2  PRO  37           HG2      PRO  37 -13.832  15.449  -7.860
  306    HG3  PRO  37           HG3      PRO  37 -13.030  16.561  -6.710
  307    HD2  PRO  37           HD2      PRO  37 -11.942  15.489  -9.176
  308    HD3  PRO  37           HD3      PRO  37 -11.139  16.539  -7.974
  309    HA   PRO  38           HA       PRO  38 -11.661   9.645  -7.835
  310    HB2  PRO  38           HB2      PRO  38 -13.015   8.163  -5.961
  311    HB3  PRO  38           HB3      PRO  38 -11.249   8.497  -5.951
  312    HG2  PRO  38           HG2      PRO  38 -13.425   9.866  -4.372
  313    HG3  PRO  38           HG3      PRO  38 -11.783   9.385  -3.831
  314    HD2  PRO  38           HD2      PRO  38 -12.366  11.939  -4.557
  315    HD3  PRO  38           HD3      PRO  38 -10.782  11.204  -4.938
  316    H    ASP  39           H        ASP  39 -14.646  11.041  -6.450
  317    HA   ASP  39           HA       ASP  39 -16.318   9.246  -7.925
  318    HB2  ASP  39           HB2      ASP  39 -17.160  10.550  -6.020
  319    HB3  ASP  39           HB3      ASP  39 -16.826  12.067  -6.859
  320    H    GLN  40           H        GLN  40 -14.519  12.036  -8.798
  321    HA   GLN  40           HA       GLN  40 -16.026  12.549 -11.320
  322    HB2  GLN  40           HB2      GLN  40 -15.565  14.447  -9.975
  323    HB3  GLN  40           HB3      GLN  40 -13.891  13.980  -9.690
  324    HG2  GLN  40           HG2      GLN  40 -13.186  14.601 -11.813
  325    HG3  GLN  40           HG3      GLN  40 -14.820  14.689 -12.473
  326   HE21  GLN  40          HE22      GLN  40 -16.285  16.432 -11.543
  327   HE22  GLN  40          HE21      GLN  40 -15.538  17.943 -11.042
  328    H    GLN  41           H        GLN  41 -13.617  10.372 -10.361
  329    HA   GLN  41           HA       GLN  41 -11.902  10.723 -12.775
  330    HB2  GLN  41           HB2      GLN  41 -11.199  11.238 -10.352
  331    HB3  GLN  41           HB3      GLN  41 -11.458   9.546  -9.991
  332    HG2  GLN  41           HG2      GLN  41  -9.751   9.140 -11.912
  333    HG3  GLN  41           HG3      GLN  41  -9.422  10.892 -11.722
  334   HE21  GLN  41          HE22      GLN  41  -9.304  11.377  -8.964
  335   HE22  GLN  41          HE21      GLN  41  -8.240  10.234  -8.200
  336    H    ARG  42           H        ARG  42 -11.793   8.870 -14.152
  337    HA   ARG  42           HA       ARG  42 -12.904   6.335 -12.933
  338    HB2  ARG  42           HB2      ARG  42 -13.523   7.495 -15.485
  339    HB3  ARG  42           HB3      ARG  42 -12.605   5.967 -15.733
  340    HG2  ARG  42           HG2      ARG  42 -14.150   4.659 -14.721
  341    HG3  ARG  42           HG3      ARG  42 -14.864   5.978 -13.752
  342    HD2  ARG  42           HD2      ARG  42 -16.042   6.845 -15.727
  343    HD3  ARG  42           HD3      ARG  42 -15.237   5.645 -16.753
  344    HE   ARG  42           HE       ARG  42 -16.618   4.444 -14.469
  345   HH11  ARG  42          HH11      ARG  42 -17.557   5.950 -17.536
  346   HH12  ARG  42          HH12      ARG  42 -18.683   4.697 -17.964
  347   HH21  ARG  42          HH21      ARG  42 -18.344   3.001 -14.861
  348   HH22  ARG  42          HH22      ARG  42 -19.280   3.131 -16.302
  349    H    LEU  43           H        LEU  43 -11.702   4.438 -13.334
  350    HA   LEU  43           HA       LEU  43  -8.835   4.932 -14.003
  351    HB2  LEU  43           HB2      LEU  43  -9.803   4.359 -11.431
  352    HB3  LEU  43           HB3      LEU  43  -9.566   2.746 -12.102
  353    HG   LEU  43           HG       LEU  43  -7.202   3.313 -12.585
  354   HD11  LEU  43          HD11      LEU  43  -7.257   5.761 -12.790
  355   HD12  LEU  43          HD12      LEU  43  -7.951   5.942 -11.176
  356   HD13  LEU  43          HD13      LEU  43  -6.282   5.367 -11.363
  357   HD21  LEU  43          HD21      LEU  43  -7.954   2.162 -10.474
  358   HD22  LEU  43          HD22      LEU  43  -6.537   3.168 -10.236
  359   HD23  LEU  43          HD23      LEU  43  -8.096   3.762  -9.670
  360    H    ILE  44           H        ILE  44  -8.278   3.701 -15.575
  361    HA   ILE  44           HA       ILE  44  -9.943   1.338 -16.319
  362    HB   ILE  44           HB       ILE  44  -8.596   3.328 -18.225
  363   HG12  ILE  44          HG12      ILE  44 -11.437   3.041 -17.185
  364   HG13  ILE  44          HG13      ILE  44 -10.378   4.448 -17.089
  365   HG21  ILE  44          HG21      ILE  44  -9.759   2.192 -20.011
  366   HG22  ILE  44          HG22      ILE  44  -8.796   0.991 -19.166
  367   HG23  ILE  44          HG23      ILE  44 -10.574   1.098 -18.874
  368   HD11  ILE  44          HD11      ILE  44 -11.826   3.437 -19.537
  369   HD12  ILE  44          HD12      ILE  44 -12.024   4.946 -18.615
  370   HD13  ILE  44          HD13      ILE  44 -10.554   4.690 -19.581
  371    H    PHE  45           H        PHE  45  -8.905  -0.469 -17.148
  372    HA   PHE  45           HA       PHE  45  -5.940  -0.430 -17.177
  373    HB2  PHE  45           HB2      PHE  45  -6.443  -1.251 -14.947
  374    HB3  PHE  45           HB3      PHE  45  -7.676  -2.351 -15.584
  375    HD1  PHE  45           HD1      PHE  45  -4.063  -1.561 -16.301
  376    HD2  PHE  45           HD2      PHE  45  -7.029  -4.610 -15.583
  377    HE1  PHE  45           HE1      PHE  45  -2.293  -3.294 -16.385
  378    HE2  PHE  45           HE2      PHE  45  -5.243  -6.332 -15.523
  379    HZ   PHE  45           HZ       PHE  45  -2.885  -5.686 -15.897
  380    H    ALA  46           H        ALA  46  -5.425  -1.193 -19.083
  381    HA   ALA  46           HA       ALA  46  -5.550  -2.142 -21.080
  382    HB1  ALA  46           HB1      ALA  46  -5.462  -4.640 -20.853
  383    HB2  ALA  46           HB2      ALA  46  -4.591  -3.827 -19.531
  384    HB3  ALA  46           HB3      ALA  46  -6.223  -4.480 -19.244
  385    H    GLY  47           H        GLY  47  -7.856  -0.888 -20.753
  386    HA2  GLY  47           HA2      GLY  47  -9.489  -0.551 -22.386
  387    HA3  GLY  47           HA3      GLY  47  -9.489  -2.268 -22.790
  388    H    LYS  48           H        LYS  48  -9.754  -1.963 -19.364
  389    HA   LYS  48           HA       LYS  48 -12.706  -1.588 -19.501
  390    HB2  LYS  48           HB2      LYS  48 -13.163  -3.485 -18.234
  391    HB3  LYS  48           HB3      LYS  48 -11.978  -4.027 -19.429
  392    HG2  LYS  48           HG2      LYS  48 -10.183  -3.871 -17.683
  393    HG3  LYS  48           HG3      LYS  48 -11.374  -3.289 -16.514
  394    HD2  LYS  48           HD2      LYS  48 -10.948  -5.614 -16.102
  395    HD3  LYS  48           HD3      LYS  48 -12.609  -5.443 -16.698
  396    HE2  LYS  48           HE2      LYS  48 -11.850  -6.148 -18.965
  397    HE3  LYS  48           HE3      LYS  48 -10.191  -6.298 -18.374
  398    HZ1  LYS  48           HZ1      LYS  48 -11.324  -8.440 -18.434
  399    HZ2  LYS  48           HZ2      LYS  48 -10.960  -8.079 -16.885
  400    HZ3  LYS  48           HZ3      LYS  48 -12.502  -7.924 -17.440
  401    H    GLN  49           H        GLN  49 -13.646  -0.671 -17.698
  402    HA   GLN  49           HA       GLN  49 -11.831   0.877 -16.036
  403    HB2  GLN  49           HB2      GLN  49 -14.799   0.606 -15.427
  404    HB3  GLN  49           HB3      GLN  49 -13.677   1.914 -15.044
  405    HG2  GLN  49           HG2      GLN  49 -14.963   2.857 -16.662
  406    HG3  GLN  49           HG3      GLN  49 -13.555   2.335 -17.572
  407   HE21  GLN  49          HE22      GLN  49 -17.049   1.608 -16.911
  408   HE22  GLN  49          HE21      GLN  49 -17.250   0.562 -18.294
  409    H    LEU  50           H        LEU  50 -11.860   0.898 -13.760
  410    HA   LEU  50           HA       LEU  50 -12.522  -1.752 -12.500
  411    HB2  LEU  50           HB2      LEU  50 -10.570   0.259 -11.344
  412    HB3  LEU  50           HB3      LEU  50 -10.873  -1.412 -10.912
  413    HG   LEU  50           HG       LEU  50  -8.881  -1.699 -11.814
  414   HD11  LEU  50          HD11      LEU  50 -10.626  -2.866 -13.380
  415   HD12  LEU  50          HD12      LEU  50 -10.036  -1.721 -14.590
  416   HD13  LEU  50          HD13      LEU  50  -8.917  -2.848 -13.800
  417   HD21  LEU  50          HD21      LEU  50  -7.820  -0.380 -13.545
  418   HD22  LEU  50          HD22      LEU  50  -9.337   0.490 -13.854
  419   HD23  LEU  50          HD23      LEU  50  -8.480   0.660 -12.299
  420    H    GLU  51           H        GLU  51 -13.661  -1.584 -10.401
  421    HA   GLU  51           HA       GLU  51 -14.891   1.101 -10.010
  422    HB2  GLU  51           HB2      GLU  51 -16.793   0.202  -9.134
  423    HB3  GLU  51           HB3      GLU  51 -16.460  -0.737 -10.586
  424    HG2  GLU  51           HG2      GLU  51 -15.588  -2.576  -9.206
  425    HG3  GLU  51           HG3      GLU  51 -15.886  -1.640  -7.732
  426    H    ASP  52           H        ASP  52 -15.218   1.799  -7.841
  427    HA   ASP  52           HA       ASP  52 -12.730   2.106  -6.601
  428    HB2  ASP  52           HB2      ASP  52 -15.553   2.809  -5.772
  429    HB3  ASP  52           HB3      ASP  52 -14.172   3.182  -4.746
  430    H    GLY  53           H        GLY  53 -15.341  -0.117  -5.792
  431    HA2  GLY  53           HA2      GLY  53 -14.361  -0.770  -3.171
  432    HA3  GLY  53           HA3      GLY  53 -15.649  -1.581  -4.083
  433    H    ARG  54           H        ARG  54 -12.812  -1.562  -5.987
  434    HA   ARG  54           HA       ARG  54 -12.270  -4.442  -5.266
  435    HB2  ARG  54           HB2      ARG  54 -12.046  -2.860  -7.808
  436    HB3  ARG  54           HB3      ARG  54 -11.689  -4.593  -7.664
  437    HG2  ARG  54           HG2      ARG  54 -14.378  -3.242  -7.388
  438    HG3  ARG  54           HG3      ARG  54 -13.813  -4.160  -8.767
  439    HD2  ARG  54           HD2      ARG  54 -13.710  -6.200  -7.197
  440    HD3  ARG  54           HD3      ARG  54 -14.566  -5.199  -6.022
  441    HE   ARG  54           HE       ARG  54 -16.470  -5.162  -7.362
  442   HH11  ARG  54          HH21      ARG  54 -13.899  -7.013  -9.048
  443   HH12  ARG  54          HH22      ARG  54 -14.955  -7.484 -10.336
  444   HH21  ARG  54          HH11      ARG  54 -17.594  -5.375  -9.290
  445   HH22  ARG  54          HH12      ARG  54 -17.186  -6.627 -10.426
  446    H    THR  55           H        THR  55  -9.943  -4.982  -6.345
  447    HA   THR  55           HA       THR  55  -8.058  -2.875  -5.393
  448    HB   THR  55           HB       THR  55  -6.768  -4.731  -4.466
  449    HG1  THR  55           HG1      THR  55  -7.972  -6.794  -4.169
  450   HG21  THR  55          HG21      THR  55  -9.541  -4.543  -3.245
  451   HG22  THR  55          HG22      THR  55  -8.098  -5.210  -2.445
  452   HG23  THR  55          HG23      THR  55  -8.122  -3.512  -2.907
  453    H    LEU  56           H        LEU  56  -5.847  -3.417  -6.022
  454    HA   LEU  56           HA       LEU  56  -5.740  -3.673  -8.902
  455    HB2  LEU  56           HB2      LEU  56  -3.459  -4.076  -6.896
  456    HB3  LEU  56           HB3      LEU  56  -3.275  -3.689  -8.589
  457    HG   LEU  56           HG       LEU  56  -4.433  -1.914  -6.416
  458   HD11  LEU  56          HD11      LEU  56  -2.562  -0.446  -6.997
  459   HD12  LEU  56          HD12      LEU  56  -2.019  -2.022  -6.419
  460   HD13  LEU  56          HD13      LEU  56  -1.950  -1.657  -8.165
  461   HD21  LEU  56          HD21      LEU  56  -5.723  -1.433  -8.414
  462   HD22  LEU  56          HD22      LEU  56  -4.495  -0.163  -8.314
  463   HD23  LEU  56          HD23      LEU  56  -4.274  -1.493  -9.454
  464    H    SER  57           H        SER  57  -4.971  -6.031  -6.347
  465    HA   SER  57           HA       SER  57  -4.396  -8.258  -7.965
  466    HB2  SER  57           HB2      SER  57  -5.484  -7.840  -5.179
  467    HB3  SER  57           HB3      SER  57  -5.418  -9.482  -5.868
  468    HG   SER  57           HG       SER  57  -3.505  -9.075  -4.788
  469    H    ASP  58           H        ASP  58  -7.625  -6.820  -7.159
  470    HA   ASP  58           HA       ASP  58  -9.120  -9.175  -7.853
  471    HB2  ASP  58           HB2      ASP  58  -9.973  -7.254  -6.530
  472    HB3  ASP  58           HB3      ASP  58  -9.955  -6.276  -7.997
  473    H    TYR  59           H        TYR  59  -7.543  -6.660  -9.641
  474    HA   TYR  59           HA       TYR  59  -8.570  -7.675 -12.246
  475    HB2  TYR  59           HB2      TYR  59  -7.299  -5.061 -11.452
  476    HB3  TYR  59           HB3      TYR  59  -7.701  -5.497 -13.122
  477    HD1  TYR  59           HD2      TYR  59 -10.152  -6.167 -13.636
  478    HD2  TYR  59           HD1      TYR  59  -8.960  -4.083 -10.031
  479    HE1  TYR  59           HE2      TYR  59 -12.491  -5.449 -13.277
  480    HE2  TYR  59           HE1      TYR  59 -11.263  -3.450  -9.645
  481    HH   TYR  59           HH       TYR  59 -13.969  -4.233 -11.919
  482    H    ASN  60           H        ASN  60  -6.236  -8.471 -10.277
  483    HA   ASN  60           HA       ASN  60  -4.340  -9.553 -10.364
  484    HB2  ASN  60           HB2      ASN  60  -5.801 -10.703 -12.297
  485    HB3  ASN  60           HB3      ASN  60  -4.478 -10.130 -13.309
  486   HD21  ASN  60          HD22      ASN  60  -5.187 -11.826 -10.226
  487   HD22  ASN  60          HD21      ASN  60  -3.836 -12.946 -10.302
  488    H    ILE  61           H        ILE  61  -4.375  -6.664 -11.085
  489    HA   ILE  61           HA       ILE  61  -1.972  -6.028 -12.582
  490    HB   ILE  61           HB       ILE  61  -3.659  -4.688 -10.450
  491   HG12  ILE  61          HG12      ILE  61  -3.557  -3.779 -13.324
  492   HG13  ILE  61          HG13      ILE  61  -4.619  -5.110 -12.853
  493   HG21  ILE  61          HG21      ILE  61  -1.459  -3.399 -12.116
  494   HG22  ILE  61          HG22      ILE  61  -2.539  -2.530 -11.015
  495   HG23  ILE  61          HG23      ILE  61  -1.400  -3.692 -10.359
  496   HD11  ILE  61          HD11      ILE  61  -5.671  -3.693 -11.131
  497   HD12  ILE  61          HD12      ILE  61  -4.675  -2.336 -11.633
  498   HD13  ILE  61          HD13      ILE  61  -5.849  -3.025 -12.780
  499    H    GLN  62           H        GLN  62   0.095  -5.845 -11.722
  500    HA   GLN  62           HA       GLN  62   0.581  -6.648  -8.888
  501    HB2  GLN  62           HB2      GLN  62   2.170  -7.419 -11.383
  502    HB3  GLN  62           HB3      GLN  62   2.572  -7.856  -9.715
  503    HG2  GLN  62           HG2      GLN  62   0.489  -9.186  -9.545
  504    HG3  GLN  62           HG3      GLN  62   0.041  -8.703 -11.176
  505   HE21  GLN  62          HE22      GLN  62   0.205 -10.467 -12.482
  506   HE22  GLN  62          HE21      GLN  62   1.576 -11.556 -12.534
  507    H    LYS  63           H        LYS  63   3.291  -6.051  -8.801
  508    HA   LYS  63           HA       LYS  63   3.496  -3.234  -8.865
  509    HB2  LYS  63           HB2      LYS  63   5.791  -3.618  -8.300
  510    HB3  LYS  63           HB3      LYS  63   4.892  -4.949  -7.551
  511    HG2  LYS  63           HG2      LYS  63   5.569  -6.251  -9.752
  512    HG3  LYS  63           HG3      LYS  63   6.773  -4.949  -9.905
  513    HD2  LYS  63           HD2      LYS  63   7.347  -5.534  -7.407
  514    HD3  LYS  63           HD3      LYS  63   6.467  -7.034  -7.712
  515    HE2  LYS  63           HE2      LYS  63   9.051  -6.021  -8.930
  516    HE3  LYS  63           HE3      LYS  63   8.767  -7.509  -8.017
  517    HZ1  LYS  63           HZ1      LYS  63   8.996  -8.121 -10.255
  518    HZ2  LYS  63           HZ2      LYS  63   7.376  -8.202 -10.028
  519    HZ3  LYS  63           HZ3      LYS  63   8.076  -6.912 -10.822
  520    H    GLU  64           H        GLU  64   4.920  -1.992 -10.046
  521    HA   GLU  64           HA       GLU  64   5.480  -0.960 -11.862
  522    HB2  GLU  64           HB2      GLU  64   7.500  -1.712 -12.779
  523    HB3  GLU  64           HB3      GLU  64   7.400  -2.519 -11.233
  524    HG2  GLU  64           HG2      GLU  64   6.410  -4.509 -12.743
  525    HG3  GLU  64           HG3      GLU  64   7.248  -3.615 -14.017
  526    H    SER  65           H        SER  65   2.995  -1.590 -12.067
  527    HA   SER  65           HA       SER  65   2.568  -2.698 -14.845
  528    HB2  SER  65           HB2      SER  65   0.801  -2.980 -12.392
  529    HB3  SER  65           HB3      SER  65   0.329  -3.425 -14.035
  530    HG   SER  65           HG       SER  65   2.589  -4.497 -12.667
  531    H    THR  66           H        THR  66   0.863  -1.703 -16.027
  532    HA   THR  66           HA       THR  66   0.776   1.177 -15.349
  533    HB   THR  66           HB       THR  66   0.499  -0.104 -18.102
  534    HG1  THR  66           HG1      THR  66   2.567  -0.489 -17.566
  535   HG21  THR  66          HG21      THR  66   1.070   2.128 -18.991
  536   HG22  THR  66          HG22      THR  66  -0.437   2.186 -18.081
  537   HG23  THR  66          HG23      THR  66   1.064   2.798 -17.355
  538    H    LEU  67           H        LEU  67  -1.052   2.285 -15.378
  539    HA   LEU  67           HA       LEU  67  -3.687   0.969 -15.817
  540    HB2  LEU  67           HB2      LEU  67  -2.434   1.890 -13.398
  541    HB3  LEU  67           HB3      LEU  67  -3.518   3.183 -13.886
  542    HG   LEU  67           HG       LEU  67  -5.378   1.553 -13.974
  543   HD11  LEU  67          HD11      LEU  67  -5.062  -0.623 -12.909
  544   HD12  LEU  67          HD12      LEU  67  -3.924  -0.508 -14.261
  545   HD13  LEU  67          HD13      LEU  67  -3.320  -0.287 -12.622
  546   HD21  LEU  67          HD21      LEU  67  -3.876   1.734 -11.327
  547   HD22  LEU  67          HD22      LEU  67  -4.923   2.995 -12.022
  548   HD23  LEU  67          HD23      LEU  67  -5.619   1.420 -11.541
  549    H    HIS  68           H        HIS  68  -5.415   2.824 -16.028
  550    HA   HIS  68           HA       HIS  68  -4.262   5.110 -17.610
  551    HB2  HIS  68           HB2      HIS  68  -6.368   3.091 -18.243
  552    HB3  HIS  68           HB3      HIS  68  -6.709   4.757 -18.679
  553    HD2  HIS  68           HD2      HIS  68  -6.094   5.382 -21.004
  554    HE1  HIS  68           HE1      HIS  68  -3.260   2.366 -21.968
  555    H    LEU  69           H        LEU  69  -5.155   7.227 -16.961
  556    HA   LEU  69           HA       LEU  69  -7.373   7.160 -14.926
  557    HB2  LEU  69           HB2      LEU  69  -5.271   8.131 -14.140
  558    HB3  LEU  69           HB3      LEU  69  -5.086   9.038 -15.638
  559    HG   LEU  69           HG       LEU  69  -5.520  10.346 -13.656
  560   HD11  LEU  69          HD11      LEU  69  -6.015  11.208 -15.991
  561   HD12  LEU  69          HD12      LEU  69  -7.728  10.898 -15.654
  562   HD13  LEU  69          HD13      LEU  69  -6.817  12.006 -14.641
  563   HD21  LEU  69          HD21      LEU  69  -8.400   9.414 -13.843
  564   HD22  LEU  69          HD22      LEU  69  -7.221   8.787 -12.656
  565   HD23  LEU  69          HD23      LEU  69  -7.608  10.527 -12.696
  566    H    VAL  70           H        VAL  70  -9.272   8.133 -15.601
  567    HA   VAL  70           HA       VAL  70  -9.056  10.076 -17.844
  568    HB   VAL  70           HB       VAL  70 -10.918   9.307 -18.982
  569   HG11  VAL  70          HG11      VAL  70 -10.466   7.109 -19.731
  570   HG12  VAL  70          HG12      VAL  70  -8.888   7.746 -19.169
  571   HG13  VAL  70          HG13      VAL  70  -9.775   6.615 -18.165
  572   HG21  VAL  70          HG21      VAL  70 -12.426   7.465 -18.339
  573   HG22  VAL  70          HG22      VAL  70 -11.521   7.372 -16.799
  574   HG23  VAL  70          HG23      VAL  70 -12.506   8.814 -17.203
  575    H    LEU  71           H        LEU  71 -10.828  11.546 -17.865
  576    HA   LEU  71           HA       LEU  71 -11.742  12.210 -15.128
  577    HB2  LEU  71           HB2      LEU  71 -10.355  13.790 -16.701
  578    HB3  LEU  71           HB3      LEU  71 -11.853  13.902 -17.630
  579    HG   LEU  71           HG       LEU  71 -11.173  15.729 -15.900
  580   HD11  LEU  71          HD11      LEU  71 -13.570  16.280 -15.637
  581   HD12  LEU  71          HD12      LEU  71 -13.146  15.841 -17.294
  582   HD13  LEU  71          HD13      LEU  71 -14.008  14.678 -16.294
  583   HD21  LEU  71          HD21      LEU  71 -11.044  14.184 -13.941
  584   HD22  LEU  71          HD22      LEU  71 -12.131  15.564 -13.728
  585   HD23  LEU  71          HD23      LEU  71 -12.801  13.953 -14.058
  586    H    ARG  72           H        ARG  72 -13.778  11.620 -14.833
  587    HA   ARG  72           HA       ARG  72 -15.637  11.452 -17.152
  588    HB2  ARG  72           HB2      ARG  72 -16.661   9.504 -16.166
  589    HB3  ARG  72           HB3      ARG  72 -14.933   9.245 -16.336
  590    HG2  ARG  72           HG2      ARG  72 -15.268   8.346 -14.235
  591    HG3  ARG  72           HG3      ARG  72 -14.800   9.966 -13.808
  592    HD2  ARG  72           HD2      ARG  72 -16.655   9.196 -12.471
  593    HD3  ARG  72           HD3      ARG  72 -17.178  10.543 -13.462
  594    HE   ARG  72           HE       ARG  72 -18.205   8.891 -15.044
  595   HH11  ARG  72          HH11      ARG  72 -17.879   7.956 -11.601
  596   HH12  ARG  72          HH12      ARG  72 -19.127   6.766 -11.715
  597   HH21  ARG  72          HH21      ARG  72 -19.780   7.489 -15.155
  598   HH22  ARG  72          HH22      ARG  72 -20.338   6.536 -13.785
  599    H    LEU  73           H        LEU  73 -15.028  13.606 -15.208
  600    HA   LEU  73           HA       LEU  73 -16.199  15.390 -14.433
  601    HB2  LEU  73           HB2      LEU  73 -18.627  14.131 -15.787
  602    HB3  LEU  73           HB3      LEU  73 -18.476  15.772 -15.240
  603    HG   LEU  73           HG       LEU  73 -18.257  15.685 -17.602
  604   HD11  LEU  73          HD11      LEU  73 -16.222  16.940 -17.936
  605   HD12  LEU  73          HD12      LEU  73 -17.065  17.407 -16.473
  606   HD13  LEU  73          HD13      LEU  73 -15.630  16.409 -16.357
  607   HD21  LEU  73          HD21      LEU  73 -15.757  13.989 -17.604
  608   HD22  LEU  73          HD22      LEU  73 -17.375  13.267 -17.746
  609   HD23  LEU  73          HD23      LEU  73 -16.839  14.423 -18.928
  610    H    ARG  74           H        ARG  74 -18.482  12.572 -13.838
  611    HA   ARG  74           HA       ARG  74 -18.637  13.223 -10.984
  612    HB2  ARG  74           HB2      ARG  74 -21.003  13.860 -11.147
  613    HB3  ARG  74           HB3      ARG  74 -19.979  14.928 -12.126
  614    HG2  ARG  74           HG2      ARG  74 -20.639  13.682 -14.178
  615    HG3  ARG  74           HG3      ARG  74 -21.771  12.723 -13.213
  616    HD2  ARG  74           HD2      ARG  74 -23.098  14.664 -12.694
  617    HD3  ARG  74           HD3      ARG  74 -21.851  15.766 -13.336
  618    HE   ARG  74           HE       ARG  74 -22.504  14.065 -15.455
  619   HH11  ARG  74          HH21      ARG  74 -24.290  16.488 -13.532
  620   HH12  ARG  74          HH22      ARG  74 -25.303  16.949 -14.851
  621   HH21  ARG  74          HH12      ARG  74 -23.726  14.629 -17.091
  622   HH22  ARG  74          HH11      ARG  74 -25.004  15.830 -16.991
  623    H    GLY  75           H        GLY  75 -19.862  11.581  -9.839
  624    HA2  GLY  75           HA2      GLY  75 -21.064   9.380 -11.458
  625    HA3  GLY  75           HA3      GLY  75 -19.960   9.062 -10.104
  626    H    GLY  76           H        GLY  76 -21.715  11.840  -9.271
  627    HA2  GLY  76           HA2      GLY  76 -24.304  10.964  -8.655
  628    HA3  GLY  76           HA3      GLY  76 -23.258  10.643  -7.248
  629    H1   GLY  -3           H1       GLY  -3 -10.872  15.438 -34.029
  630    H2   GLY  -3           H2       GLY  -3 -11.703  14.054 -33.739
  631    H3   GLY  -3           H3       GLY  -3 -10.146  14.194 -33.253
  632    HA2  GLY  -3           HA2      GLY  -3 -12.426  15.741 -32.209
  633    HA3  GLY  -3           HA3      GLY  -3 -11.614  14.418 -31.357
  634    H    HIS  -2           H        HIS  -2 -11.499  16.287 -29.712
  635    HA   HIS  -2           HA       HIS  -2  -8.912  17.718 -29.956
  636    HB2  HIS  -2           HB2      HIS  -2 -11.558  19.036 -29.180
  637    HB3  HIS  -2           HB3      HIS  -2  -9.975  19.800 -29.118
  638    HD2  HIS  -2           HD2      HIS  -2  -8.668  19.889 -31.716
  639    HE1  HIS  -2           HE1      HIS  -2 -12.391  20.568 -33.690
  640    H    MET  -1           H        MET  -1  -8.271  18.626 -27.831
  641    HA   MET  -1           HA       MET  -1  -8.711  16.816 -25.561
  642    HB2  MET  -1           HB2      MET  -1  -7.426  19.585 -25.692
  643    HB3  MET  -1           HB3      MET  -1  -7.300  18.429 -24.364
  644    HG2  MET  -1           HG2      MET  -1  -6.085  16.855 -25.830
  645    HG3  MET  -1           HG3      MET  -1  -6.203  17.994 -27.169
  646    HE1  MET  -1           HE1      MET  -1  -3.440  16.667 -26.045
  647    HE2  MET  -1           HE2      MET  -1  -3.568  17.701 -27.496
  648    HE3  MET  -1           HE3      MET  -1  -2.374  18.069 -26.232
  649    H    PHE 679           H        PHE 679  -9.575  17.723 -23.449
  650    HA   PHE 679           HA       PHE 679 -11.423  20.037 -23.780
  651    HB2  PHE 679           HB2      PHE 679 -12.156  17.357 -22.628
  652    HB3  PHE 679           HB3      PHE 679 -12.882  18.857 -22.021
  653    HD1  PHE 679           HD2      PHE 679 -12.364  16.853 -25.149
  654    HD2  PHE 679           HD1      PHE 679 -14.609  19.980 -23.201
  655    HE1  PHE 679           HE2      PHE 679 -13.971  16.872 -27.034
  656    HE2  PHE 679           HE1      PHE 679 -16.199  20.012 -25.106
  657    HZ   PHE 679           HZ       PHE 679 -15.907  18.444 -27.010
  658    HA   PRO 680           HA       PRO 680  -9.190  20.719 -19.817
  659    HB2  PRO 680           HB2      PRO 680  -8.646  18.832 -17.915
  660    HB3  PRO 680           HB3      PRO 680 -10.211  19.683 -18.025
  661    HG2  PRO 680           HG2      PRO 680  -9.528  16.916 -19.004
  662    HG3  PRO 680           HG3      PRO 680 -11.006  17.468 -18.166
  663    HD2  PRO 680           HD2      PRO 680 -10.824  17.154 -20.907
  664    HD3  PRO 680           HD3      PRO 680 -11.926  18.315 -20.100
  665    H    SER 681           H        SER 681  -6.833  20.645 -19.325
  666    HA   SER 681           HA       SER 681  -5.224  19.624 -21.385
  667    HB2  SER 681           HB2      SER 681  -4.302  20.360 -18.582
  668    HB3  SER 681           HB3      SER 681  -3.390  20.490 -20.098
  669    HG   SER 681           HG       SER 681  -4.256  22.528 -19.432
  670    H    ASP 682           H        ASP 682  -6.554  17.896 -18.815
  671    HA   ASP 682           HA       ASP 682  -4.654  15.837 -18.229
  672    HB2  ASP 682           HB2      ASP 682  -6.788  16.581 -16.992
  673    HB3  ASP 682           HB3      ASP 682  -7.640  15.744 -18.307
  674    H    ILE 683           H        ILE 683  -6.179  16.362 -21.220
  675    HA   ILE 683           HA       ILE 683  -6.218  13.434 -21.743
  676    HB   ILE 683           HB       ILE 683  -8.152  15.248 -23.074
  677   HG12  ILE 683          HG12      ILE 683  -8.596  15.830 -20.696
  678   HG13  ILE 683          HG13      ILE 683  -9.913  14.969 -21.444
  679   HG21  ILE 683          HG21      ILE 683  -8.636  12.523 -22.062
  680   HG22  ILE 683          HG22      ILE 683  -9.397  13.424 -23.388
  681   HG23  ILE 683          HG23      ILE 683  -7.750  12.798 -23.584
  682   HD11  ILE 683          HD11      ILE 683  -9.472  14.374 -19.049
  683   HD12  ILE 683          HD12      ILE 683  -9.537  13.000 -20.131
  684   HD13  ILE 683          HD13      ILE 683  -7.987  13.556 -19.545
  685    H    ASP 684           H        ASP 684  -5.502  12.788 -23.798
  686    HA   ASP 684           HA       ASP 684  -4.687  14.731 -25.851
  687    HB2  ASP 684           HB2      ASP 684  -2.665  14.426 -24.533
  688    HB3  ASP 684           HB3      ASP 684  -2.858  12.675 -24.506
  689    HA   PRO 685           HA       PRO 685  -6.807  11.735 -28.349
  690    HB2  PRO 685           HB2      PRO 685  -4.436  12.114 -30.196
  691    HB3  PRO 685           HB3      PRO 685  -6.172  11.961 -30.621
  692    HG2  PRO 685           HG2      PRO 685  -5.054  14.419 -30.448
  693    HG3  PRO 685           HG3      PRO 685  -6.659  14.127 -29.705
  694    HD2  PRO 685           HD2      PRO 685  -3.965  14.284 -28.369
  695    HD3  PRO 685           HD3      PRO 685  -5.550  14.891 -27.805
  696    H    GLN 686           H        GLN 686  -3.239  11.060 -27.959
  697    HA   GLN 686           HA       GLN 686  -3.381   8.508 -29.195
  698    HB2  GLN 686           HB2      GLN 686  -1.312   9.894 -28.759
  699    HB3  GLN 686           HB3      GLN 686  -1.435   9.471 -27.052
  700    HG2  GLN 686           HG2      GLN 686   0.186   8.007 -28.005
  701    HG3  GLN 686           HG3      GLN 686  -1.242   7.026 -27.732
  702   HE21  GLN 686          HE22      GLN 686   0.742   8.657 -30.210
  703   HE22  GLN 686          HE21      GLN 686   0.101   7.778 -31.583
  704    H    VAL 687           H        VAL 687  -3.391   9.350 -25.674
  705    HA   VAL 687           HA       VAL 687  -3.722   6.612 -24.830
  706    HB   VAL 687           HB       VAL 687  -4.558   9.100 -23.305
  707   HG11  VAL 687          HG11      VAL 687  -3.846   7.683 -21.348
  708   HG12  VAL 687          HG12      VAL 687  -5.149   6.957 -22.304
  709   HG13  VAL 687          HG13      VAL 687  -3.515   6.356 -22.498
  710   HG21  VAL 687          HG21      VAL 687  -2.171   9.066 -22.388
  711   HG22  VAL 687          HG22      VAL 687  -1.746   8.082 -23.814
  712   HG23  VAL 687          HG23      VAL 687  -2.378   9.735 -24.000
  713    H    PHE 688           H        PHE 688  -5.900   9.319 -25.501
  714    HA   PHE 688           HA       PHE 688  -8.328   8.198 -24.651
  715    HB2  PHE 688           HB2      PHE 688  -7.706  10.443 -24.863
  716    HB3  PHE 688           HB3      PHE 688  -7.548  10.327 -26.613
  717    HD1  PHE 688           HD1      PHE 688 -10.309   9.633 -24.083
  718    HD2  PHE 688           HD2      PHE 688  -9.220  11.131 -27.982
  719    HE1  PHE 688           HE1      PHE 688 -12.684  10.244 -24.521
  720    HE2  PHE 688           HE2      PHE 688 -11.582  11.743 -28.393
  721    HZ   PHE 688           HZ       PHE 688 -13.306  11.317 -26.669
  722    H    TYR 689           H        TYR 689  -6.311   7.489 -27.470
  723    HA   TYR 689           HA       TYR 689  -8.426   5.933 -28.803
  724    HB2  TYR 689           HB2      TYR 689  -5.745   6.999 -29.549
  725    HB3  TYR 689           HB3      TYR 689  -6.144   5.414 -30.182
  726    HD1  TYR 689           HD2      TYR 689  -7.903   8.745 -29.758
  727    HD2  TYR 689           HD1      TYR 689  -7.101   5.349 -32.297
  728    HE1  TYR 689           HE2      TYR 689  -9.282   9.764 -31.533
  729    HE2  TYR 689           HE1      TYR 689  -8.476   6.361 -34.089
  730    HH   TYR 689           HH       TYR 689 -10.117   9.549 -33.716
  731    H    GLU 690           H        GLU 690  -5.605   5.367 -26.639
  732    HA   GLU 690           HA       GLU 690  -5.495   2.483 -26.900
  733    HB2  GLU 690           HB2      GLU 690  -5.057   4.255 -24.491
  734    HB3  GLU 690           HB3      GLU 690  -4.735   2.528 -24.539
  735    HG2  GLU 690           HG2      GLU 690  -3.324   4.629 -26.221
  736    HG3  GLU 690           HG3      GLU 690  -2.720   3.885 -24.738
  737    H    LEU 691           H        LEU 691  -7.684   4.701 -25.517
  738    HA   LEU 691           HA       LEU 691  -8.891   3.246 -23.505
  739    HB2  LEU 691           HB2      LEU 691  -8.796   5.844 -24.534
  740    HB3  LEU 691           HB3      LEU 691 -10.440   5.405 -24.923
  741    HG   LEU 691           HG       LEU 691 -10.916   5.113 -22.567
  742   HD11  LEU 691          HD11      LEU 691  -7.928   5.615 -22.239
  743   HD12  LEU 691          HD12      LEU 691  -9.068   5.735 -20.878
  744   HD13  LEU 691          HD13      LEU 691  -8.823   4.195 -21.653
  745   HD21  LEU 691          HD21      LEU 691 -10.982   7.354 -23.627
  746   HD22  LEU 691          HD22      LEU 691 -10.831   7.347 -21.889
  747   HD23  LEU 691          HD23      LEU 691  -9.392   7.668 -22.902
  748    HA   PRO 692           HA       PRO 692 -12.276   0.937 -25.474
  749    HB2  PRO 692           HB2      PRO 692 -14.265   1.150 -23.570
  750    HB3  PRO 692           HB3      PRO 692 -12.833   0.106 -23.363
  751    HG2  PRO 692           HG2      PRO 692 -13.139   3.004 -22.422
  752    HG3  PRO 692           HG3      PRO 692 -12.736   1.565 -21.407
  753    HD2  PRO 692           HD2      PRO 692 -10.772   3.058 -22.314
  754    HD3  PRO 692           HD3      PRO 692 -10.623   1.309 -22.562
  755    H    GLU 693           H        GLU 693 -14.338   1.340 -26.491
  756    HA   GLU 693           HA       GLU 693 -14.670   4.012 -27.471
  757    HB2  GLU 693           HB2      GLU 693 -15.105   1.820 -28.652
  758    HB3  GLU 693           HB3      GLU 693 -16.517   1.582 -27.639
  759    HG2  GLU 693           HG2      GLU 693 -17.244   2.399 -29.764
  760    HG3  GLU 693           HG3      GLU 693 -17.493   3.698 -28.595
  761    H    ALA 694           H        ALA 694 -16.627   2.002 -25.215
  762    HA   ALA 694           HA       ALA 694 -18.771   3.825 -25.039
  763    HB1  ALA 694           HB1      ALA 694 -17.872   1.702 -23.053
  764    HB2  ALA 694           HB2      ALA 694 -19.484   2.460 -23.116
  765    HB3  ALA 694           HB3      ALA 694 -18.933   1.452 -24.464
  766    H    VAL 695           H        VAL 695 -15.819   3.589 -22.996
  767    HA   VAL 695           HA       VAL 695 -16.849   5.608 -21.160
  768    HB   VAL 695           HB       VAL 695 -13.927   4.848 -21.441
  769   HG11  VAL 695          HG11      VAL 695 -15.668   6.094 -19.269
  770   HG12  VAL 695          HG12      VAL 695 -14.089   5.391 -18.906
  771   HG13  VAL 695          HG13      VAL 695 -14.204   6.753 -20.033
  772   HG21  VAL 695          HG21      VAL 695 -15.292   2.749 -21.098
  773   HG22  VAL 695          HG22      VAL 695 -14.271   3.158 -19.723
  774   HG23  VAL 695          HG23      VAL 695 -16.025   3.509 -19.671
  775    H    GLN 696           H        GLN 696 -14.872   5.675 -24.191
  776    HA   GLN 696           HA       GLN 696 -14.198   8.442 -23.924
  777    HB2  GLN 696           HB2      GLN 696 -14.756   6.759 -26.424
  778    HB3  GLN 696           HB3      GLN 696 -14.195   8.426 -26.484
  779    HG2  GLN 696           HG2      GLN 696 -12.094   7.863 -25.495
  780    HG3  GLN 696           HG3      GLN 696 -12.627   6.268 -25.051
  781   HE21  GLN 696          HE22      GLN 696 -12.220   4.629 -26.556
  782   HE22  GLN 696          HE21      GLN 696 -11.772   4.886 -28.236
  783    H    LYS 697           H        LYS 697 -17.092   6.775 -25.303
  784    HA   LYS 697           HA       LYS 697 -18.624   9.040 -26.067
  785    HB2  LYS 697           HB2      LYS 697 -19.213   6.219 -25.306
  786    HB3  LYS 697           HB3      LYS 697 -20.502   7.334 -24.932
  787    HG2  LYS 697           HG2      LYS 697 -20.995   6.426 -27.008
  788    HG3  LYS 697           HG3      LYS 697 -20.540   8.092 -27.304
  789    HD2  LYS 697           HD2      LYS 697 -18.575   5.771 -27.661
  790    HD3  LYS 697           HD3      LYS 697 -19.744   6.224 -28.904
  791    HE2  LYS 697           HE2      LYS 697 -18.823   8.627 -28.726
  792    HE3  LYS 697           HE3      LYS 697 -17.464   7.911 -27.824
  793    HZ1  LYS 697           HZ1      LYS 697 -18.250   7.161 -30.591
  794    HZ2  LYS 697           HZ2      LYS 697 -17.009   8.147 -30.211
  795    HZ3  LYS 697           HZ3      LYS 697 -16.943   6.571 -29.766
  796    H    GLU 698           H        GLU 698 -18.343   7.593 -22.804
  797    HA   GLU 698           HA       GLU 698 -20.178   9.343 -21.474
  798    HB2  GLU 698           HB2      GLU 698 -18.850   7.318 -20.402
  799    HB3  GLU 698           HB3      GLU 698 -17.556   8.509 -20.152
  800    HG2  GLU 698           HG2      GLU 698 -19.137   9.970 -18.921
  801    HG3  GLU 698           HG3      GLU 698 -20.357   8.696 -19.034
  802    H    LEU 699           H        LEU 699 -16.685   9.479 -21.905
  803    HA   LEU 699           HA       LEU 699 -16.133  11.837 -20.524
  804    HB2  LEU 699           HB2      LEU 699 -14.814  10.115 -22.602
  805    HB3  LEU 699           HB3      LEU 699 -14.101  11.649 -22.286
  806    HG   LEU 699           HG       LEU 699 -13.446  11.107 -20.134
  807   HD11  LEU 699          HD11      LEU 699 -15.551  10.393 -19.126
  808   HD12  LEU 699          HD12      LEU 699 -15.394   8.808 -19.915
  809   HD13  LEU 699          HD13      LEU 699 -14.220   9.338 -18.705
  810   HD21  LEU 699          HD21      LEU 699 -12.451   8.801 -20.329
  811   HD22  LEU 699          HD22      LEU 699 -13.438   8.513 -21.734
  812   HD23  LEU 699          HD23      LEU 699 -12.216   9.805 -21.782
  813    H    LEU 700           H        LEU 700 -16.317  11.535 -24.132
  814    HA   LEU 700           HA       LEU 700 -16.038  14.345 -24.435
  815    HB2  LEU 700           HB2      LEU 700 -16.742  14.043 -26.767
  816    HB3  LEU 700           HB3      LEU 700 -15.481  12.938 -26.243
  817    HG   LEU 700           HG       LEU 700 -17.785  11.473 -25.720
  818   HD11  LEU 700          HD11      LEU 700 -18.279  12.857 -28.367
  819   HD12  LEU 700          HD12      LEU 700 -19.238  11.546 -27.638
  820   HD13  LEU 700          HD13      LEU 700 -19.208  13.144 -26.884
  821   HD21  LEU 700          HD21      LEU 700 -16.228  11.429 -28.325
  822   HD22  LEU 700          HD22      LEU 700 -15.687  10.701 -26.792
  823   HD23  LEU 700          HD23      LEU 700 -17.143  10.085 -27.568
  824    H    ALA 701           H        ALA 701 -19.020  12.367 -24.082
  825    HA   ALA 701           HA       ALA 701 -20.723  14.556 -24.859
  826    HB1  ALA 701           HB1      ALA 701 -21.320  12.055 -23.218
  827    HB2  ALA 701           HB2      ALA 701 -22.527  13.121 -23.974
  828    HB3  ALA 701           HB3      ALA 701 -21.410  12.180 -24.992
  829    H    GLU 702           H        GLU 702 -19.780  13.197 -21.637
  830    HA   GLU 702           HA       GLU 702 -21.127  15.250 -20.158
  831    HB2  GLU 702           HB2      GLU 702 -18.779  13.439 -19.460
  832    HB3  GLU 702           HB3      GLU 702 -19.660  14.445 -18.308
  833    HG2  GLU 702           HG2      GLU 702 -20.868  12.142 -19.786
  834    HG3  GLU 702           HG3      GLU 702 -20.258  12.184 -18.116
  835    H    TRP 703           H        TRP 703 -17.788  15.043 -21.546
  836    HA   TRP 703           HA       TRP 703 -16.828  17.147 -19.986
  837    HB2  TRP 703           HB2      TRP 703 -16.046  16.326 -22.839
  838    HB3  TRP 703           HB3      TRP 703 -15.187  17.552 -21.937
  839    HD1  TRP 703           HD1      TRP 703 -15.044  15.588 -19.174
  840    HE1  TRP 703           HE1      TRP 703 -13.487  13.578 -19.177
  841    HE3  TRP 703           HE3      TRP 703 -14.070  15.257 -24.167
  842    HZ2  TRP 703           HZ2      TRP 703 -11.520  12.396 -20.976
  843    HZ3  TRP 703           HZ3      TRP 703 -12.389  13.643 -25.004
  844    HH2  TRP 703           HH2      TRP 703 -11.152  12.195 -23.418
  845    H    LYS 704           H        LYS 704 -18.385  17.220 -23.263
  846    HA   LYS 704           HA       LYS 704 -18.288  20.119 -23.330
  847    HB2  LYS 704           HB2      LYS 704 -19.346  19.977 -25.435
  848    HB3  LYS 704           HB3      LYS 704 -18.216  18.624 -25.322
  849    HG2  LYS 704           HG2      LYS 704 -20.211  17.174 -24.678
  850    HG3  LYS 704           HG3      LYS 704 -21.251  18.531 -25.140
  851    HD2  LYS 704           HD2      LYS 704 -20.262  18.493 -27.433
  852    HD3  LYS 704           HD3      LYS 704 -19.165  17.203 -26.928
  853    HE2  LYS 704           HE2      LYS 704 -20.839  16.026 -28.030
  854    HE3  LYS 704           HE3      LYS 704 -21.225  15.823 -26.320
  855    HZ1  LYS 704           HZ1      LYS 704 -22.936  17.584 -26.596
  856    HZ2  LYS 704           HZ2      LYS 704 -22.532  17.764 -28.172
  857    HZ3  LYS 704           HZ3      LYS 704 -23.200  16.371 -27.652
  858    H    ARG 705           H        ARG 705 -20.628  17.842 -21.979
  859    HA   ARG 705           HA       ARG 705 -22.865  19.741 -21.975
  860    HB2  ARG 705           HB2      ARG 705 -22.249  17.074 -20.608
  861    HB3  ARG 705           HB3      ARG 705 -23.653  18.031 -20.129
  862    HG2  ARG 705           HG2      ARG 705 -24.550  17.991 -22.400
  863    HG3  ARG 705           HG3      ARG 705 -23.122  17.151 -22.993
  864    HD2  ARG 705           HD2      ARG 705 -24.618  15.392 -22.749
  865    HD3  ARG 705           HD3      ARG 705 -23.714  15.302 -21.237
  866    HE   ARG 705           HE       ARG 705 -26.248  16.876 -21.376
  867   HH11  ARG 705          HH21      ARG 705 -24.585  14.061 -19.870
  868   HH12  ARG 705          HH22      ARG 705 -26.047  13.453 -19.181
  869   HH21  ARG 705          HH11      ARG 705 -28.086  16.157 -20.254
  870   HH22  ARG 705          HH12      ARG 705 -28.024  14.748 -19.262
  871    H    THR 706           H        THR 706 -20.464  18.543 -19.677
  872    HA   THR 706           HA       THR 706 -21.543  20.018 -17.470
  873    HB   THR 706           HB       THR 706 -18.928  18.460 -17.794
  874    HG1  THR 706           HG1      THR 706 -20.494  17.045 -18.252
  875   HG21  THR 706          HG21      THR 706 -19.179  17.961 -15.427
  876   HG22  THR 706          HG22      THR 706 -18.949  19.698 -15.730
  877   HG23  THR 706          HG23      THR 706 -20.583  19.065 -15.339
  878    H    GLY 707           H        GLY 707 -18.736  20.300 -19.687
  879    HA2  GLY 707           HA2      GLY 707 -17.259  21.904 -20.124
  880    HA3  GLY 707           HA3      GLY 707 -18.416  23.092 -19.481
  Start of MODEL   11
    1    H1   MET   1           H1       MET   1   5.165  -1.161  -2.785
    2    H2   MET   1           H2       MET   1   3.617  -1.586  -3.040
    3    H3   MET   1           H3       MET   1   4.768  -2.750  -2.804
    4    HA   MET   1           HA       MET   1   5.929  -2.066  -4.832
    5    HB2  MET   1           HB2      MET   1   4.511  -3.023  -6.471
    6    HB3  MET   1           HB3      MET   1   4.325  -3.970  -5.001
    7    HG2  MET   1           HG2      MET   1   2.090  -2.727  -4.681
    8    HG3  MET   1           HG3      MET   1   2.360  -2.033  -6.296
    9    HE1  MET   1           HE1      MET   1   0.489  -3.124  -7.940
   10    HE2  MET   1           HE2      MET   1  -0.263  -4.673  -7.487
   11    HE3  MET   1           HE3      MET   1  -0.310  -3.320  -6.348
   12    H    GLN   2           H        GLN   2   5.209  -1.122  -7.227
   13    HA   GLN   2           HA       GLN   2   3.755   1.426  -6.783
   14    HB2  GLN   2           HB2      GLN   2   5.416   2.712  -7.810
   15    HB3  GLN   2           HB3      GLN   2   6.292   1.628  -6.719
   16    HG2  GLN   2           HG2      GLN   2   6.819   0.156  -8.697
   17    HG3  GLN   2           HG3      GLN   2   6.075   1.368  -9.749
   18   HE21  GLN   2          HE22      GLN   2   8.817   0.639 -10.132
   19   HE22  GLN   2          HE21      GLN   2   9.815   1.982  -9.655
   20    H    ILE   3           H        ILE   3   2.778   2.295  -8.698
   21    HA   ILE   3           HA       ILE   3   2.737   0.526 -11.147
   22    HB   ILE   3           HB       ILE   3   0.250   0.756 -11.227
   23   HG12  ILE   3          HG12      ILE   3   0.289   1.382  -8.245
   24   HG13  ILE   3          HG13      ILE   3   0.374   2.669  -9.419
   25   HG21  ILE   3          HG21      ILE   3   1.417  -1.354 -10.500
   26   HG22  ILE   3          HG22      ILE   3   1.258  -0.877  -8.815
   27   HG23  ILE   3          HG23      ILE   3  -0.194  -1.185  -9.794
   28   HD11  ILE   3          HD11      ILE   3  -1.891   2.395  -8.794
   29   HD12  ILE   3          HD12      ILE   3  -1.670   1.958 -10.501
   30   HD13  ILE   3          HD13      ILE   3  -1.875   0.669  -9.280
   31    H    PHE   4           H        PHE   4   1.783   1.591 -12.957
   32    HA   PHE   4           HA       PHE   4   2.626   4.449 -12.925
   33    HB2  PHE   4           HB2      PHE   4   2.639   2.631 -15.333
   34    HB3  PHE   4           HB3      PHE   4   3.527   4.120 -15.013
   35    HD1  PHE   4           HD2      PHE   4   4.949   3.858 -12.666
   36    HD2  PHE   4           HD1      PHE   4   4.028   0.728 -15.453
   37    HE1  PHE   4           HE2      PHE   4   6.873   2.534 -11.821
   38    HE2  PHE   4           HE1      PHE   4   6.072  -0.496 -14.723
   39    HZ   PHE   4           HZ       PHE   4   7.523   0.430 -12.945
   40    H    VAL   5           H        VAL   5   0.691   5.557 -12.747
   41    HA   VAL   5           HA       VAL   5  -1.660   4.552 -14.287
   42    HB   VAL   5           HB       VAL   5  -1.383   6.664 -12.133
   43   HG11  VAL   5          HG11      VAL   5  -3.924   6.627 -12.202
   44   HG12  VAL   5          HG12      VAL   5  -3.121   7.408 -13.572
   45   HG13  VAL   5          HG13      VAL   5  -3.806   5.760 -13.759
   46   HG21  VAL   5          HG21      VAL   5  -2.800   3.957 -12.178
   47   HG22  VAL   5          HG22      VAL   5  -1.224   4.237 -11.438
   48   HG23  VAL   5          HG23      VAL   5  -2.681   5.051 -10.818
   49    H    LYS   6           H        LYS   6  -1.400   5.022 -16.436
   50    HA   LYS   6           HA       LYS   6  -0.112   7.482 -17.244
   51    HB2  LYS   6           HB2      LYS   6  -0.220   5.296 -18.630
   52    HB3  LYS   6           HB3      LYS   6  -1.868   5.792 -19.055
   53    HG2  LYS   6           HG2      LYS   6  -0.838   8.106 -19.668
   54    HG3  LYS   6           HG3      LYS   6   0.718   7.368 -19.401
   55    HD2  LYS   6           HD2      LYS   6  -0.409   5.623 -21.211
   56    HD3  LYS   6           HD3      LYS   6  -1.197   7.170 -21.659
   57    HE2  LYS   6           HE2      LYS   6   0.820   6.954 -22.993
   58    HE3  LYS   6           HE3      LYS   6   1.065   8.245 -21.809
   59    HZ1  LYS   6           HZ1      LYS   6   2.140   5.469 -21.555
   60    HZ2  LYS   6           HZ2      LYS   6   3.003   6.769 -22.008
   61    HZ3  LYS   6           HZ3      LYS   6   2.427   6.685 -20.481
   62    H    THR   7           H        THR   7  -1.080   9.457 -17.410
   63    HA   THR   7           HA       THR   7  -4.003   9.480 -17.324
   64    HB   THR   7           HB       THR   7  -3.993  11.700 -16.971
   65    HG1  THR   7           HG1      THR   7  -2.181  12.987 -17.022
   66   HG21  THR   7          HG21      THR   7  -1.828  10.599 -15.172
   67   HG22  THR   7          HG22      THR   7  -2.901  11.981 -14.805
   68   HG23  THR   7          HG23      THR   7  -3.574  10.350 -14.967
   69    H    LEU   8           H        LEU   8  -5.133  10.777 -18.595
   70    HA   LEU   8           HA       LEU   8  -4.873   9.866 -21.286
   71    HB2  LEU   8           HB2      LEU   8  -6.708  11.666 -19.819
   72    HB3  LEU   8           HB3      LEU   8  -6.698  11.633 -21.582
   73    HG   LEU   8           HG       LEU   8  -8.107   9.985 -19.909
   74   HD11  LEU   8          HD11      LEU   8  -7.337   9.697 -22.819
   75   HD12  LEU   8          HD12      LEU   8  -8.652   8.754 -22.075
   76   HD13  LEU   8          HD13      LEU   8  -8.776  10.514 -22.156
   77   HD21  LEU   8          HD21      LEU   8  -5.908   8.504 -19.671
   78   HD22  LEU   8          HD22      LEU   8  -7.409   7.726 -20.066
   79   HD23  LEU   8          HD23      LEU   8  -6.253   8.072 -21.352
   80    H    THR   9           H        THR   9  -3.359  12.681 -19.864
   81    HA   THR   9           HA       THR   9  -3.284  14.172 -22.307
   82    HB   THR   9           HB       THR   9  -3.182  15.155 -20.052
   83    HG1  THR   9           HG1      THR   9  -2.469  16.751 -21.054
   84   HG21  THR   9          HG21      THR   9  -1.475  13.538 -19.106
   85   HG22  THR   9          HG22      THR   9  -0.245  14.511 -19.916
   86   HG23  THR   9          HG23      THR   9  -1.312  15.243 -18.686
   87    H    GLY  10           H        GLY  10  -1.707  11.341 -21.282
   88    HA2  GLY  10           HA2      GLY  10   0.039  10.177 -22.359
   89    HA3  GLY  10           HA3      GLY  10   0.564  11.677 -23.156
   90    H    LYS  11           H        LYS  11  -0.194  11.161 -19.590
   91    HA   LYS  11           HA       LYS  11   2.767  11.554 -19.111
   92    HB2  LYS  11           HB2      LYS  11   1.607  13.579 -18.485
   93    HB3  LYS  11           HB3      LYS  11   0.370  12.684 -17.608
   94    HG2  LYS  11           HG2      LYS  11   3.207  12.294 -16.749
   95    HG3  LYS  11           HG3      LYS  11   2.495  13.879 -16.458
   96    HD2  LYS  11           HD2      LYS  11   1.373  11.247 -15.446
   97    HD3  LYS  11           HD3      LYS  11   2.372  12.346 -14.501
   98    HE2  LYS  11           HE2      LYS  11  -0.395  12.967 -15.658
   99    HE3  LYS  11           HE3      LYS  11  -0.026  12.510 -13.997
  100    HZ1  LYS  11           HZ1      LYS  11   0.809  15.056 -15.273
  101    HZ2  LYS  11           HZ2      LYS  11  -0.257  14.799 -14.028
  102    HZ3  LYS  11           HZ3      LYS  11   1.328  14.534 -13.790
  103    H    THR  12           H        THR  12   3.520  10.125 -17.364
  104    HA   THR  12           HA       THR  12   1.443   8.230 -16.338
  105    HB   THR  12           HB       THR  12   4.264   7.337 -16.819
  106    HG1  THR  12           HG1      THR  12   3.882   7.942 -18.866
  107   HG21  THR  12          HG21      THR  12   3.220   5.194 -16.994
  108   HG22  THR  12          HG22      THR  12   2.383   6.029 -15.642
  109   HG23  THR  12          HG23      THR  12   1.617   5.897 -17.257
  110    H    ILE  13           H        ILE  13   1.070   8.463 -14.350
  111    HA   ILE  13           HA       ILE  13   3.168   9.670 -12.636
  112    HB   ILE  13           HB       ILE  13   1.495  11.003 -12.271
  113   HG12  ILE  13          HG12      ILE  13   1.846   9.328 -10.139
  114   HG13  ILE  13          HG13      ILE  13   0.978  10.837 -10.148
  115   HG21  ILE  13          HG21      ILE  13  -0.213  10.300 -13.741
  116   HG22  ILE  13          HG22      ILE  13  -0.702   8.981 -12.658
  117   HG23  ILE  13          HG23      ILE  13  -0.889  10.696 -12.141
  118   HD11  ILE  13          HD11      ILE  13  -1.137   9.804 -10.073
  119   HD12  ILE  13          HD12      ILE  13  -0.424   8.210 -10.547
  120   HD13  ILE  13          HD13      ILE  13  -0.108   8.911  -8.951
  121    H    THR  14           H        THR  14   4.325   8.278 -11.566
  122    HA   THR  14           HA       THR  14   3.388   5.536 -11.200
  123    HB   THR  14           HB       THR  14   5.894   6.912 -10.254
  124    HG1  THR  14           HG1      THR  14   6.848   6.287 -12.143
  125   HG21  THR  14          HG21      THR  14   5.679   4.797  -9.072
  126   HG22  THR  14          HG22      THR  14   5.128   3.926 -10.511
  127   HG23  THR  14          HG23      THR  14   6.815   4.465 -10.392
  128    H    LEU  15           H        LEU  15   2.736   4.731  -9.140
  129    HA   LEU  15           HA       LEU  15   3.055   6.503  -6.817
  130    HB2  LEU  15           HB2      LEU  15   0.785   6.329  -6.127
  131    HB3  LEU  15           HB3      LEU  15   0.826   7.099  -7.721
  132    HG   LEU  15           HG       LEU  15   0.272   4.144  -7.668
  133   HD11  LEU  15          HD11      LEU  15  -1.790   6.250  -6.953
  134   HD12  LEU  15          HD12      LEU  15  -2.078   4.512  -7.185
  135   HD13  LEU  15          HD13      LEU  15  -1.102   5.052  -5.815
  136   HD21  LEU  15          HD21      LEU  15  -0.939   6.401  -9.234
  137   HD22  LEU  15          HD22      LEU  15   0.407   5.371  -9.793
  138   HD23  LEU  15          HD23      LEU  15  -1.166   4.647  -9.374
  139    H    GLU  16           H        GLU  16   2.610   5.383  -4.786
  140    HA   GLU  16           HA       GLU  16   3.428   2.573  -5.126
  141    HB2  GLU  16           HB2      GLU  16   3.994   4.620  -2.958
  142    HB3  GLU  16           HB3      GLU  16   4.116   2.878  -2.632
  143    HG2  GLU  16           HG2      GLU  16   5.642   2.603  -4.552
  144    HG3  GLU  16           HG3      GLU  16   5.583   4.339  -4.869
  145    H    VAL  17           H        VAL  17   2.300   1.033  -4.372
  146    HA   VAL  17           HA       VAL  17  -0.263   1.417  -2.904
  147    HB   VAL  17           HB       VAL  17  -1.486   0.273  -4.717
  148   HG11  VAL  17          HG11      VAL  17  -1.378   2.748  -4.797
  149   HG12  VAL  17          HG12      VAL  17   0.002   2.634  -5.918
  150   HG13  VAL  17          HG13      VAL  17  -1.579   2.007  -6.395
  151   HG21  VAL  17          HG21      VAL  17   1.134   0.355  -6.294
  152   HG22  VAL  17          HG22      VAL  17   0.305  -1.095  -5.677
  153   HG23  VAL  17          HG23      VAL  17  -0.447  -0.127  -6.928
  154    H    GLU  18           H        GLU  18  -1.303  -1.030  -3.253
  155    HA   GLU  18           HA       GLU  18   0.724  -3.118  -2.720
  156    HB2  GLU  18           HB2      GLU  18  -1.912  -2.834  -1.186
  157    HB3  GLU  18           HB3      GLU  18  -0.707  -4.113  -1.003
  158    HG2  GLU  18           HG2      GLU  18   0.935  -2.306  -0.263
  159    HG3  GLU  18           HG3      GLU  18  -0.422  -1.176  -0.268
  160    HA   PRO  19           HA       PRO  19  -2.029  -4.982  -5.824
  161    HB2  PRO  19           HB2      PRO  19  -1.958  -7.523  -4.273
  162    HB3  PRO  19           HB3      PRO  19  -1.562  -7.223  -6.003
  163    HG2  PRO  19           HG2      PRO  19   0.344  -7.689  -4.071
  164    HG3  PRO  19           HG3      PRO  19   0.620  -6.641  -5.485
  165    HD2  PRO  19           HD2      PRO  19   0.037  -5.873  -2.634
  166    HD3  PRO  19           HD3      PRO  19   1.050  -5.044  -3.855
  167    H    SER  20           H        SER  20  -2.689  -5.198  -2.342
  168    HA   SER  20           HA       SER  20  -5.544  -5.841  -2.684
  169    HB2  SER  20           HB2      SER  20  -5.297  -5.804  -0.085
  170    HB3  SER  20           HB3      SER  20  -4.513  -7.121  -0.975
  171    HG   SER  20           HG       SER  20  -3.092  -6.177   0.581
  172    H    ASP  21           H        ASP  21  -3.780  -3.121  -3.159
  173    HA   ASP  21           HA       ASP  21  -5.274  -1.444  -1.403
  174    HB2  ASP  21           HB2      ASP  21  -2.986  -0.865  -2.360
  175    HB3  ASP  21           HB3      ASP  21  -3.825  -0.540  -3.901
  176    H    THR  22           H        THR  22  -7.154  -0.398  -1.865
  177    HA   THR  22           HA       THR  22  -8.727  -1.485  -4.007
  178    HB   THR  22           HB       THR  22 -10.491   0.181  -3.224
  179    HG1  THR  22           HG1      THR  22 -10.050   0.948  -1.031
  180   HG21  THR  22          HG21      THR  22  -9.468  -1.906  -1.281
  181   HG22  THR  22          HG22      THR  22 -11.108  -1.185  -1.318
  182   HG23  THR  22          HG23      THR  22 -10.556  -2.154  -2.685
  183    H    ILE  23           H        ILE  23  -9.539  -0.563  -5.734
  184    HA   ILE  23           HA       ILE  23  -8.315   1.489  -7.182
  185    HB   ILE  23           HB       ILE  23 -11.246   0.764  -7.077
  186   HG12  ILE  23          HG12      ILE  23 -10.333  -1.253  -7.632
  187   HG13  ILE  23          HG13      ILE  23 -10.538  -0.523  -9.212
  188   HG21  ILE  23          HG21      ILE  23 -11.386   1.575  -9.416
  189   HG22  ILE  23          HG22      ILE  23 -10.930   2.879  -8.315
  190   HG23  ILE  23          HG23      ILE  23  -9.688   2.095  -9.312
  191   HD11  ILE  23          HD11      ILE  23  -8.110   0.071  -9.221
  192   HD12  ILE  23          HD12      ILE  23  -7.959  -0.835  -7.685
  193   HD13  ILE  23          HD13      ILE  23  -8.450  -1.676  -9.155
  194    H    GLU  24           H        GLU  24 -11.014   1.963  -4.752
  195    HA   GLU  24           HA       GLU  24 -11.285   4.721  -5.151
  196    HB2  GLU  24           HB2      GLU  24 -12.690   3.214  -3.670
  197    HB3  GLU  24           HB3      GLU  24 -11.410   3.275  -2.465
  198    HG2  GLU  24           HG2      GLU  24 -11.655   5.741  -2.313
  199    HG3  GLU  24           HG3      GLU  24 -12.895   5.707  -3.574
  200    H    ASN  25           H        ASN  25  -8.929   2.994  -3.076
  201    HA   ASN  25           HA       ASN  25  -7.910   5.505  -1.972
  202    HB2  ASN  25           HB2      ASN  25  -7.913   3.333  -0.716
  203    HB3  ASN  25           HB3      ASN  25  -6.731   2.714  -1.876
  204   HD21  ASN  25          HD21      ASN  25  -4.933   2.536  -0.586
  205   HD22  ASN  25          HD22      ASN  25  -4.254   3.824   0.416
  206    H    VAL  26           H        VAL  26  -7.016   3.292  -4.615
  207    HA   VAL  26           HA       VAL  26  -4.541   4.500  -5.345
  208    HB   VAL  26           HB       VAL  26  -6.729   2.990  -6.770
  209   HG11  VAL  26          HG11      VAL  26  -5.181   2.658  -8.677
  210   HG12  VAL  26          HG12      VAL  26  -5.767   4.332  -8.488
  211   HG13  VAL  26          HG13      VAL  26  -4.113   3.913  -7.988
  212   HG21  VAL  26          HG21      VAL  26  -5.217   1.822  -5.068
  213   HG22  VAL  26          HG22      VAL  26  -5.362   1.095  -6.655
  214   HG23  VAL  26          HG23      VAL  26  -3.906   2.050  -6.224
  215    H    LYS  27           H        LYS  27  -7.950   5.173  -6.561
  216    HA   LYS  27           HA       LYS  27  -7.194   7.437  -8.042
  217    HB2  LYS  27           HB2      LYS  27  -9.756   6.977  -6.415
  218    HB3  LYS  27           HB3      LYS  27  -9.544   8.302  -7.552
  219    HG2  LYS  27           HG2      LYS  27  -9.360   6.607  -9.417
  220    HG3  LYS  27           HG3      LYS  27  -9.801   5.357  -8.223
  221    HD2  LYS  27           HD2      LYS  27 -11.783   6.873  -7.587
  222    HD3  LYS  27           HD3      LYS  27 -11.378   7.844  -9.021
  223    HE2  LYS  27           HE2      LYS  27 -11.836   5.949 -10.471
  224    HE3  LYS  27           HE3      LYS  27 -12.122   4.912  -9.053
  225    HZ1  LYS  27           HZ1      LYS  27 -13.722   7.386  -9.569
  226    HZ2  LYS  27           HZ2      LYS  27 -14.213   5.890 -10.070
  227    HZ3  LYS  27           HZ3      LYS  27 -14.040   6.166  -8.471
  228    H    ALA  28           H        ALA  28  -7.830   7.214  -4.502
  229    HA   ALA  28           HA       ALA  28  -7.808  10.046  -4.070
  230    HB1  ALA  28           HB1      ALA  28  -8.702   8.396  -2.433
  231    HB2  ALA  28           HB2      ALA  28  -7.038   7.834  -2.119
  232    HB3  ALA  28           HB3      ALA  28  -7.499   9.497  -1.726
  233    H    LYS  29           H        LYS  29  -5.180   7.612  -4.345
  234    HA   LYS  29           HA       LYS  29  -3.075   9.491  -3.593
  235    HB2  LYS  29           HB2      LYS  29  -3.056   6.898  -5.152
  236    HB3  LYS  29           HB3      LYS  29  -1.601   7.844  -4.776
  237    HG2  LYS  29           HG2      LYS  29  -1.948   7.598  -2.404
  238    HG3  LYS  29           HG3      LYS  29  -3.557   6.894  -2.642
  239    HD2  LYS  29           HD2      LYS  29  -2.625   4.931  -3.722
  240    HD3  LYS  29           HD3      LYS  29  -0.979   5.585  -3.627
  241    HE2  LYS  29           HE2      LYS  29  -2.527   5.474  -1.068
  242    HE3  LYS  29           HE3      LYS  29  -2.108   3.902  -1.776
  243    HZ1  LYS  29           HZ1      LYS  29   0.230   4.577  -1.781
  244    HZ2  LYS  29           HZ2      LYS  29  -0.138   6.040  -1.097
  245    HZ3  LYS  29           HZ3      LYS  29  -0.380   4.666  -0.255
  246    H    ILE  30           H        ILE  30  -4.776   8.622  -6.677
  247    HA   ILE  30           HA       ILE  30  -3.090  10.306  -8.273
  248    HB   ILE  30           HB       ILE  30  -6.020   9.900  -8.813
  249   HG12  ILE  30          HG12      ILE  30  -5.267   7.681  -8.522
  250   HG13  ILE  30          HG13      ILE  30  -5.421   7.957 -10.238
  251   HG21  ILE  30          HG21      ILE  30  -5.116  10.055 -11.205
  252   HG22  ILE  30          HG22      ILE  30  -5.014  11.533 -10.253
  253   HG23  ILE  30          HG23      ILE  30  -3.565  10.520 -10.498
  254   HD11  ILE  30          HD11      ILE  30  -3.502   6.660  -9.496
  255   HD12  ILE  30          HD12      ILE  30  -3.005   8.109 -10.446
  256   HD13  ILE  30          HD13      ILE  30  -2.810   8.069  -8.666
  257    H    GLN  31           H        GLN  31  -5.971  11.087  -6.367
  258    HA   GLN  31           HA       GLN  31  -6.168  13.815  -7.057
  259    HB2  GLN  31           HB2      GLN  31  -7.827  12.509  -5.678
  260    HB3  GLN  31           HB3      GLN  31  -6.688  12.645  -4.330
  261    HG2  GLN  31           HG2      GLN  31  -6.954  15.303  -5.001
  262    HG3  GLN  31           HG3      GLN  31  -8.548  14.699  -5.424
  263   HE21  GLN  31          HE22      GLN  31  -9.955  13.931  -3.685
  264   HE22  GLN  31          HE21      GLN  31  -9.505  14.112  -2.011
  265    H    ASP  32           H        ASP  32  -4.071  12.155  -4.686
  266    HA   ASP  32           HA       ASP  32  -2.835  14.545  -3.689
  267    HB2  ASP  32           HB2      ASP  32  -2.511  12.558  -2.443
  268    HB3  ASP  32           HB3      ASP  32  -1.862  11.682  -3.809
  269    H    LYS  33           H        LYS  33  -2.165  12.483  -6.613
  270    HA   LYS  33           HA       LYS  33   0.318  13.934  -7.081
  271    HB2  LYS  33           HB2      LYS  33  -1.002  11.771  -8.696
  272    HB3  LYS  33           HB3      LYS  33   0.674  12.317  -8.754
  273    HG2  LYS  33           HG2      LYS  33  -0.078  11.449  -6.016
  274    HG3  LYS  33           HG3      LYS  33  -0.456  10.221  -7.176
  275    HD2  LYS  33           HD2      LYS  33   1.765   9.875  -6.211
  276    HD3  LYS  33           HD3      LYS  33   1.858  10.120  -7.944
  277    HE2  LYS  33           HE2      LYS  33   3.629  11.380  -7.117
  278    HE3  LYS  33           HE3      LYS  33   2.396  12.570  -7.496
  279    HZ1  LYS  33           HZ1      LYS  33   1.791  12.478  -5.003
  280    HZ2  LYS  33           HZ2      LYS  33   3.110  11.543  -4.787
  281    HZ3  LYS  33           HZ3      LYS  33   3.293  13.070  -5.324
  282    H    GLU  34           H        GLU  34  -2.883  13.937  -8.338
  283    HA   GLU  34           HA       GLU  34  -2.189  15.694 -10.622
  284    HB2  GLU  34           HB2      GLU  34  -4.428  13.664 -10.159
  285    HB3  GLU  34           HB3      GLU  34  -4.256  14.657 -11.615
  286    HG2  GLU  34           HG2      GLU  34  -2.403  12.479 -10.616
  287    HG3  GLU  34           HG3      GLU  34  -3.342  12.503 -12.110
  288    H    GLY  35           H        GLY  35  -4.486  15.246  -7.944
  289    HA2  GLY  35           HA2      GLY  35  -5.379  17.083  -6.760
  290    HA3  GLY  35           HA3      GLY  35  -5.306  18.084  -8.208
  291    H    ILE  36           H        ILE  36  -6.615  14.887  -8.779
  292    HA   ILE  36           HA       ILE  36  -9.221  16.214  -9.290
  293    HB   ILE  36           HB       ILE  36  -8.025  13.613 -10.278
  294   HG12  ILE  36          HG12      ILE  36  -8.296  16.283 -11.778
  295   HG13  ILE  36          HG13      ILE  36  -6.783  15.724 -11.055
  296   HG21  ILE  36          HG21      ILE  36  -9.856  13.560 -11.877
  297   HG22  ILE  36          HG22      ILE  36 -10.585  13.806 -10.295
  298   HG23  ILE  36          HG23      ILE  36 -10.405  15.192 -11.380
  299   HD11  ILE  36          HD11      ILE  36  -8.309  14.335 -13.261
  300   HD12  ILE  36          HD12      ILE  36  -6.739  15.163 -13.369
  301   HD13  ILE  36          HD13      ILE  36  -6.886  13.670 -12.403
  302    HA   PRO  37           HA       PRO  37 -10.617  13.730  -5.803
  303    HB2  PRO  37           HB2      PRO  37 -13.394  14.156  -6.135
  304    HB3  PRO  37           HB3      PRO  37 -12.237  15.171  -5.199
  305    HG2  PRO  37           HG2      PRO  37 -13.497  15.718  -7.814
  306    HG3  PRO  37           HG3      PRO  37 -12.718  16.837  -6.659
  307    HD2  PRO  37           HD2      PRO  37 -11.595  15.790  -9.097
  308    HD3  PRO  37           HD3      PRO  37 -10.786  16.793  -7.861
  309    HA   PRO  38           HA       PRO  38 -11.322   9.894  -7.657
  310    HB2  PRO  38           HB2      PRO  38 -12.753   8.459  -5.800
  311    HB3  PRO  38           HB3      PRO  38 -10.987   8.790  -5.707
  312    HG2  PRO  38           HG2      PRO  38 -13.240  10.196  -4.279
  313    HG3  PRO  38           HG3      PRO  38 -11.629   9.731  -3.645
  314    HD2  PRO  38           HD2      PRO  38 -12.172  12.272  -4.462
  315    HD3  PRO  38           HD3      PRO  38 -10.569  11.519  -4.744
  316    H    ASP  39           H        ASP  39 -14.348  11.327  -6.402
  317    HA   ASP  39           HA       ASP  39 -15.931   9.462  -7.952
  318    HB2  ASP  39           HB2      ASP  39 -16.923  10.600  -6.030
  319    HB3  ASP  39           HB3      ASP  39 -16.633  12.182  -6.770
  320    H    GLN  40           H        GLN  40 -14.174  12.314  -8.657
  321    HA   GLN  40           HA       GLN  40 -15.642  12.912 -11.172
  322    HB2  GLN  40           HB2      GLN  40 -14.968  14.641  -9.506
  323    HB3  GLN  40           HB3      GLN  40 -13.274  14.230  -9.744
  324    HG2  GLN  40           HG2      GLN  40 -13.193  15.143 -11.870
  325    HG3  GLN  40           HG3      GLN  40 -14.947  15.097 -12.107
  326   HE21  GLN  40          HE22      GLN  40 -16.238  16.545 -10.593
  327   HE22  GLN  40          HE21      GLN  40 -15.562  18.127 -10.207
  328    H    GLN  41           H        GLN  41 -13.233  10.736 -10.224
  329    HA   GLN  41           HA       GLN  41 -11.596  11.058 -12.705
  330    HB2  GLN  41           HB2      GLN  41 -10.758  11.612 -10.371
  331    HB3  GLN  41           HB3      GLN  41 -11.109   9.964  -9.901
  332    HG2  GLN  41           HG2      GLN  41  -9.410   9.337 -11.771
  333    HG3  GLN  41           HG3      GLN  41  -8.895  11.032 -11.654
  334   HE21  GLN  41          HE22      GLN  41  -8.912  11.615  -8.851
  335   HE22  GLN  41          HE21      GLN  41  -7.997  10.391  -8.012
  336    H    ARG  42           H        ARG  42 -11.402   9.102 -13.997
  337    HA   ARG  42           HA       ARG  42 -12.589   6.638 -12.701
  338    HB2  ARG  42           HB2      ARG  42 -13.325   7.841 -15.245
  339    HB3  ARG  42           HB3      ARG  42 -12.668   6.197 -15.492
  340    HG2  ARG  42           HG2      ARG  42 -14.306   5.225 -14.093
  341    HG3  ARG  42           HG3      ARG  42 -14.775   6.792 -13.375
  342    HD2  ARG  42           HD2      ARG  42 -15.728   7.480 -15.585
  343    HD3  ARG  42           HD3      ARG  42 -15.345   5.857 -16.207
  344    HE   ARG  42           HE       ARG  42 -16.893   5.728 -13.759
  345   HH11  ARG  42          HH21      ARG  42 -17.272   6.171 -17.278
  346   HH12  ARG  42          HH22      ARG  42 -18.981   5.870 -17.267
  347   HH21  ARG  42          HH11      ARG  42 -19.151   5.200 -13.797
  348   HH22  ARG  42          HH12      ARG  42 -20.008   5.222 -15.292
  349    H    LEU  43           H        LEU  43 -11.742   4.622 -13.460
  350    HA   LEU  43           HA       LEU  43  -8.845   4.832 -14.125
  351    HB2  LEU  43           HB2      LEU  43  -9.951   4.288 -11.561
  352    HB3  LEU  43           HB3      LEU  43  -9.612   2.693 -12.244
  353    HG   LEU  43           HG       LEU  43  -7.269   3.364 -12.657
  354   HD11  LEU  43          HD11      LEU  43  -6.446   5.455 -11.455
  355   HD12  LEU  43          HD12      LEU  43  -7.419   5.789 -12.894
  356   HD13  LEU  43          HD13      LEU  43  -8.143   5.968 -11.287
  357   HD21  LEU  43          HD21      LEU  43  -6.598   3.340 -10.296
  358   HD22  LEU  43          HD22      LEU  43  -8.214   3.820  -9.767
  359   HD23  LEU  43          HD23      LEU  43  -7.939   2.223 -10.537
  360    H    ILE  44           H        ILE  44  -8.429   3.669 -15.726
  361    HA   ILE  44           HA       ILE  44  -9.992   1.208 -16.403
  362    HB   ILE  44           HB       ILE  44  -8.589   3.244 -18.185
  363   HG12  ILE  44          HG12      ILE  44 -11.275   3.011 -18.999
  364   HG13  ILE  44          HG13      ILE  44 -11.380   2.814 -17.256
  365   HG21  ILE  44          HG21      ILE  44 -10.210   1.027 -19.418
  366   HG22  ILE  44          HG22      ILE  44  -9.123   2.203 -20.172
  367   HG23  ILE  44          HG23      ILE  44  -8.426   0.918 -19.218
  368   HD11  ILE  44          HD11      ILE  44 -10.071   4.942 -16.987
  369   HD12  ILE  44          HD12      ILE  44 -10.095   5.092 -18.750
  370   HD13  ILE  44          HD13      ILE  44 -11.622   5.148 -17.793
  371    H    PHE  45           H        PHE  45  -8.868  -0.600 -17.161
  372    HA   PHE  45           HA       PHE  45  -5.888  -0.460 -17.042
  373    HB2  PHE  45           HB2      PHE  45  -6.547  -1.397 -14.885
  374    HB3  PHE  45           HB3      PHE  45  -7.688  -2.492 -15.667
  375    HD1  PHE  45           HD1      PHE  45  -4.055  -1.610 -16.165
  376    HD2  PHE  45           HD2      PHE  45  -6.978  -4.721 -15.590
  377    HE1  PHE  45           HE1      PHE  45  -2.239  -3.307 -16.154
  378    HE2  PHE  45           HE2      PHE  45  -5.168  -6.412 -15.533
  379    HZ   PHE  45           HZ       PHE  45  -2.813  -5.722 -15.760
  380    H    ALA  46           H        ALA  46  -5.206  -1.186 -18.976
  381    HA   ALA  46           HA       ALA  46  -5.177  -2.198 -20.994
  382    HB1  ALA  46           HB1      ALA  46  -6.004  -4.495 -19.182
  383    HB2  ALA  46           HB2      ALA  46  -5.136  -4.659 -20.737
  384    HB3  ALA  46           HB3      ALA  46  -4.357  -3.851 -19.357
  385    H    GLY  47           H        GLY  47  -7.404  -0.844 -20.880
  386    HA2  GLY  47           HA2      GLY  47  -9.047  -0.480 -22.484
  387    HA3  GLY  47           HA3      GLY  47  -8.905  -2.148 -23.024
  388    H    LYS  48           H        LYS  48  -9.524  -1.409 -19.574
  389    HA   LYS  48           HA       LYS  48 -12.419  -1.792 -19.900
  390    HB2  LYS  48           HB2      LYS  48 -12.654  -3.774 -18.719
  391    HB3  LYS  48           HB3      LYS  48 -11.206  -4.094 -19.652
  392    HG2  LYS  48           HG2      LYS  48 -10.049  -3.117 -17.353
  393    HG3  LYS  48           HG3      LYS  48 -11.574  -3.639 -16.686
  394    HD2  LYS  48           HD2      LYS  48 -10.028  -5.449 -16.419
  395    HD3  LYS  48           HD3      LYS  48 -11.148  -5.935 -17.700
  396    HE2  LYS  48           HE2      LYS  48  -9.438  -5.150 -19.409
  397    HE3  LYS  48           HE3      LYS  48  -8.335  -4.770 -18.086
  398    HZ1  LYS  48           HZ1      LYS  48  -9.382  -7.484 -18.737
  399    HZ2  LYS  48           HZ2      LYS  48  -7.877  -6.954 -19.052
  400    HZ3  LYS  48           HZ3      LYS  48  -8.356  -7.161 -17.500
  401    H    GLN  49           H        GLN  49 -13.564  -1.138 -17.905
  402    HA   GLN  49           HA       GLN  49 -11.979   0.816 -16.384
  403    HB2  GLN  49           HB2      GLN  49 -14.299   1.224 -17.569
  404    HB3  GLN  49           HB3      GLN  49 -14.970   0.285 -16.225
  405    HG2  GLN  49           HG2      GLN  49 -13.581   2.057 -14.766
  406    HG3  GLN  49           HG3      GLN  49 -13.689   3.012 -16.237
  407   HE21  GLN  49          HE22      GLN  49 -15.384   1.824 -13.423
  408   HE22  GLN  49          HE21      GLN  49 -16.966   2.500 -13.806
  409    H    LEU  50           H        LEU  50 -11.889   0.759 -14.115
  410    HA   LEU  50           HA       LEU  50 -12.592  -1.849 -12.819
  411    HB2  LEU  50           HB2      LEU  50 -10.903   0.428 -11.722
  412    HB3  LEU  50           HB3      LEU  50 -11.190  -1.161 -11.054
  413    HG   LEU  50           HG       LEU  50  -9.231  -1.742 -11.788
  414   HD11  LEU  50          HD11      LEU  50 -10.698  -2.825 -13.610
  415   HD12  LEU  50          HD12      LEU  50 -10.033  -1.594 -14.695
  416   HD13  LEU  50          HD13      LEU  50  -8.962  -2.737 -13.858
  417   HD21  LEU  50          HD21      LEU  50  -7.820  -0.480 -13.309
  418   HD22  LEU  50          HD22      LEU  50  -9.202   0.542 -13.760
  419   HD23  LEU  50          HD23      LEU  50  -8.550   0.559 -12.094
  420    H    GLU  51           H        GLU  51 -13.387  -1.400 -10.364
  421    HA   GLU  51           HA       GLU  51 -14.870   1.159 -10.262
  422    HB2  GLU  51           HB2      GLU  51 -16.830   0.188  -9.341
  423    HB3  GLU  51           HB3      GLU  51 -16.464  -0.616 -10.873
  424    HG2  GLU  51           HG2      GLU  51 -15.475  -2.512  -9.588
  425    HG3  GLU  51           HG3      GLU  51 -15.903  -1.662  -8.080
  426    H    ASP  52           H        ASP  52 -15.328   1.906  -8.096
  427    HA   ASP  52           HA       ASP  52 -12.864   2.207  -6.806
  428    HB2  ASP  52           HB2      ASP  52 -15.702   2.936  -6.090
  429    HB3  ASP  52           HB3      ASP  52 -14.392   3.240  -4.958
  430    H    GLY  53           H        GLY  53 -15.518   0.013  -6.047
  431    HA2  GLY  53           HA2      GLY  53 -14.591  -0.666  -3.408
  432    HA3  GLY  53           HA3      GLY  53 -15.896  -1.425  -4.340
  433    H    ARG  54           H        ARG  54 -12.977  -1.417  -6.159
  434    HA   ARG  54           HA       ARG  54 -12.480  -4.311  -5.474
  435    HB2  ARG  54           HB2      ARG  54 -12.421  -2.747  -8.061
  436    HB3  ARG  54           HB3      ARG  54 -11.890  -4.442  -7.913
  437    HG2  ARG  54           HG2      ARG  54 -14.681  -3.325  -7.515
  438    HG3  ARG  54           HG3      ARG  54 -14.132  -4.294  -8.881
  439    HD2  ARG  54           HD2      ARG  54 -13.761  -6.175  -7.225
  440    HD3  ARG  54           HD3      ARG  54 -14.553  -5.148  -6.025
  441    HE   ARG  54           HE       ARG  54 -16.598  -5.403  -7.049
  442   HH11  ARG  54          HH11      ARG  54 -14.104  -6.981  -9.089
  443   HH12  ARG  54          HH12      ARG  54 -15.271  -7.744 -10.113
  444   HH21  ARG  54          HH21      ARG  54 -18.106  -6.420  -8.425
  445   HH22  ARG  54          HH22      ARG  54 -17.590  -7.449  -9.704
  446    H    THR  55           H        THR  55 -10.159  -4.869  -6.560
  447    HA   THR  55           HA       THR  55  -8.273  -2.782  -5.561
  448    HB   THR  55           HB       THR  55  -7.016  -4.624  -4.597
  449    HG1  THR  55           HG1      THR  55  -8.214  -6.683  -4.307
  450   HG21  THR  55          HG21      THR  55  -8.389  -3.421  -3.064
  451   HG22  THR  55          HG22      THR  55  -9.808  -4.455  -3.425
  452   HG23  THR  55          HG23      THR  55  -8.379  -5.120  -2.608
  453    H    LEU  56           H        LEU  56  -6.049  -3.370  -6.137
  454    HA   LEU  56           HA       LEU  56  -5.876  -3.646  -9.000
  455    HB2  LEU  56           HB2      LEU  56  -3.654  -4.049  -6.941
  456    HB3  LEU  56           HB3      LEU  56  -3.414  -3.680  -8.628
  457    HG   LEU  56           HG       LEU  56  -4.590  -1.885  -6.484
  458   HD11  LEU  56          HD11      LEU  56  -2.166  -2.029  -6.521
  459   HD12  LEU  56          HD12      LEU  56  -2.125  -1.616  -8.254
  460   HD13  LEU  56          HD13      LEU  56  -2.711  -0.430  -7.053
  461   HD21  LEU  56          HD21      LEU  56  -4.411  -1.442  -9.514
  462   HD22  LEU  56          HD22      LEU  56  -5.878  -1.409  -8.499
  463   HD23  LEU  56          HD23      LEU  56  -4.670  -0.134  -8.357
  464    H    SER  57           H        SER  57  -5.200  -5.985  -6.407
  465    HA   SER  57           HA       SER  57  -4.631  -8.238  -7.996
  466    HB2  SER  57           HB2      SER  57  -5.752  -7.783  -5.231
  467    HB3  SER  57           HB3      SER  57  -5.690  -9.432  -5.905
  468    HG   SER  57           HG       SER  57  -3.785  -9.095  -4.838
  469    H    ASP  58           H        ASP  58  -7.860  -6.760  -7.251
  470    HA   ASP  58           HA       ASP  58  -9.371  -9.093  -7.951
  471    HB2  ASP  58           HB2      ASP  58 -10.243  -7.122  -6.705
  472    HB3  ASP  58           HB3      ASP  58 -10.129  -6.172  -8.189
  473    H    TYR  59           H        TYR  59  -7.689  -6.647  -9.745
  474    HA   TYR  59           HA       TYR  59  -8.694  -7.639 -12.364
  475    HB2  TYR  59           HB2      TYR  59  -7.329  -5.087 -11.565
  476    HB3  TYR  59           HB3      TYR  59  -7.781  -5.491 -13.222
  477    HD1  TYR  59           HD2      TYR  59 -10.314  -6.146 -13.596
  478    HD2  TYR  59           HD1      TYR  59  -8.857  -3.924 -10.180
  479    HE1  TYR  59           HE2      TYR  59 -12.608  -5.330 -13.149
  480    HE2  TYR  59           HE1      TYR  59 -11.123  -3.162  -9.708
  481    HH   TYR  59           HH       TYR  59 -13.965  -4.012 -11.761
  482    H    ASN  60           H        ASN  60  -6.365  -8.491 -10.343
  483    HA   ASN  60           HA       ASN  60  -4.436  -9.578 -10.435
  484    HB2  ASN  60           HB2      ASN  60  -5.051 -10.092 -13.369
  485    HB3  ASN  60           HB3      ASN  60  -3.886 -10.963 -12.389
  486   HD21  ASN  60          HD22      ASN  60  -4.848 -12.026 -10.284
  487   HD22  ASN  60          HD21      ASN  60  -6.439 -12.724 -10.456
  488    H    ILE  61           H        ILE  61  -4.510  -6.690 -11.059
  489    HA   ILE  61           HA       ILE  61  -2.145  -6.017 -12.633
  490    HB   ILE  61           HB       ILE  61  -3.795  -4.673 -10.475
  491   HG12  ILE  61          HG12      ILE  61  -3.728  -3.809 -13.361
  492   HG13  ILE  61          HG13      ILE  61  -4.816  -5.095 -12.836
  493   HG21  ILE  61          HG21      ILE  61  -2.683  -2.508 -11.069
  494   HG22  ILE  61          HG22      ILE  61  -1.533  -3.668 -10.436
  495   HG23  ILE  61          HG23      ILE  61  -1.624  -3.375 -12.191
  496   HD11  ILE  61          HD11      ILE  61  -5.981  -2.986 -12.831
  497   HD12  ILE  61          HD12      ILE  61  -5.823  -3.597 -11.167
  498   HD13  ILE  61          HD13      ILE  61  -4.783  -2.287 -11.716
  499    H    GLN  62           H        GLN  62  -0.072  -5.728 -11.764
  500    HA   GLN  62           HA       GLN  62   0.429  -6.620  -8.965
  501    HB2  GLN  62           HB2      GLN  62   2.041  -7.315 -11.475
  502    HB3  GLN  62           HB3      GLN  62   2.413  -7.814  -9.817
  503    HG2  GLN  62           HG2      GLN  62   0.288  -9.119  -9.745
  504    HG3  GLN  62           HG3      GLN  62  -0.058  -8.610 -11.400
  505   HE21  GLN  62          HE22      GLN  62   0.319 -10.261 -12.827
  506   HE22  GLN  62          HE21      GLN  62   1.657 -11.387 -12.739
  507    H    LYS  63           H        LYS  63   3.158  -6.079  -8.932
  508    HA   LYS  63           HA       LYS  63   3.423  -3.253  -8.798
  509    HB2  LYS  63           HB2      LYS  63   5.836  -3.894  -8.454
  510    HB3  LYS  63           HB3      LYS  63   4.733  -4.860  -7.459
  511    HG2  LYS  63           HG2      LYS  63   5.839  -6.627  -8.128
  512    HG3  LYS  63           HG3      LYS  63   4.865  -6.495  -9.583
  513    HD2  LYS  63           HD2      LYS  63   6.976  -6.855 -10.391
  514    HD3  LYS  63           HD3      LYS  63   6.762  -5.112 -10.585
  515    HE2  LYS  63           HE2      LYS  63   8.079  -4.731  -8.472
  516    HE3  LYS  63           HE3      LYS  63   8.210  -6.477  -8.246
  517    HZ1  LYS  63           HZ1      LYS  63   9.482  -6.552 -10.356
  518    HZ2  LYS  63           HZ2      LYS  63   9.447  -4.907 -10.444
  519    HZ3  LYS  63           HZ3      LYS  63  10.220  -5.651  -9.212
  520    H    GLU  64           H        GLU  64   4.791  -1.989  -9.970
  521    HA   GLU  64           HA       GLU  64   5.318  -0.905 -11.800
  522    HB2  GLU  64           HB2      GLU  64   6.922  -3.445 -12.307
  523    HB3  GLU  64           HB3      GLU  64   7.204  -1.887 -13.101
  524    HG2  GLU  64           HG2      GLU  64   7.541  -0.826 -10.888
  525    HG3  GLU  64           HG3      GLU  64   7.400  -2.405 -10.109
  526    H    SER  65           H        SER  65   2.914  -1.527 -12.041
  527    HA   SER  65           HA       SER  65   2.515  -2.661 -14.816
  528    HB2  SER  65           HB2      SER  65   0.718  -2.983 -12.394
  529    HB3  SER  65           HB3      SER  65   0.271  -3.425 -14.044
  530    HG   SER  65           HG       SER  65   2.528  -4.493 -12.671
  531    H    THR  66           H        THR  66   0.894  -1.651 -16.044
  532    HA   THR  66           HA       THR  66   0.725   1.194 -15.315
  533    HB   THR  66           HB       THR  66   0.452  -0.008 -18.091
  534    HG1  THR  66           HG1      THR  66   2.626   0.324 -18.317
  535   HG21  THR  66          HG21      THR  66  -0.400   2.306 -17.973
  536   HG22  THR  66          HG22      THR  66   1.135   2.839 -17.257
  537   HG23  THR  66          HG23      THR  66   1.081   2.204 -18.914
  538    H    LEU  67           H        LEU  67  -1.096   2.321 -15.355
  539    HA   LEU  67           HA       LEU  67  -3.729   1.007 -15.835
  540    HB2  LEU  67           HB2      LEU  67  -2.510   2.068 -13.448
  541    HB3  LEU  67           HB3      LEU  67  -3.645   3.305 -14.018
  542    HG   LEU  67           HG       LEU  67  -5.448   1.662 -14.011
  543   HD11  LEU  67          HD11      LEU  67  -5.104  -0.500 -12.863
  544   HD12  LEU  67          HD12      LEU  67  -4.114  -0.416 -14.319
  545   HD13  LEU  67          HD13      LEU  67  -3.337  -0.180 -12.751
  546   HD21  LEU  67          HD21      LEU  67  -5.011   3.084 -12.066
  547   HD22  LEU  67          HD22      LEU  67  -5.679   1.503 -11.585
  548   HD23  LEU  67          HD23      LEU  67  -3.942   1.831 -11.366
  549    H    HIS  68           H        HIS  68  -5.461   2.815 -16.070
  550    HA   HIS  68           HA       HIS  68  -4.346   5.098 -17.699
  551    HB2  HIS  68           HB2      HIS  68  -6.405   3.017 -18.343
  552    HB3  HIS  68           HB3      HIS  68  -6.784   4.669 -18.817
  553    HD2  HIS  68           HD2      HIS  68  -5.665   5.623 -20.925
  554    HE1  HIS  68           HE1      HIS  68  -3.210   2.308 -21.954
  555    H    LEU  69           H        LEU  69  -5.253   7.189 -17.167
  556    HA   LEU  69           HA       LEU  69  -7.315   7.172 -14.995
  557    HB2  LEU  69           HB2      LEU  69  -4.874   7.894 -14.662
  558    HB3  LEU  69           HB3      LEU  69  -5.201   9.204 -15.777
  559    HG   LEU  69           HG       LEU  69  -5.136   9.809 -13.410
  560   HD11  LEU  69          HD11      LEU  69  -6.247  11.243 -15.104
  561   HD12  LEU  69          HD12      LEU  69  -7.809  10.504 -14.656
  562   HD13  LEU  69          HD13      LEU  69  -6.871  11.420 -13.466
  563   HD21  LEU  69          HD21      LEU  69  -6.269   7.807 -12.538
  564   HD22  LEU  69          HD22      LEU  69  -6.986   9.312 -11.976
  565   HD23  LEU  69          HD23      LEU  69  -7.820   8.380 -13.225
  566    H    VAL  70           H        VAL  70  -9.237   8.193 -15.677
  567    HA   VAL  70           HA       VAL  70  -8.966  10.266 -17.840
  568    HB   VAL  70           HB       VAL  70 -11.097   9.724 -18.740
  569   HG11  VAL  70          HG11      VAL  70  -9.263   7.305 -18.657
  570   HG12  VAL  70          HG12      VAL  70 -10.776   7.316 -19.596
  571   HG13  VAL  70          HG13      VAL  70  -9.553   8.477 -19.977
  572   HG21  VAL  70          HG21      VAL  70 -12.415   7.698 -18.107
  573   HG22  VAL  70          HG22      VAL  70 -11.260   7.426 -16.773
  574   HG23  VAL  70          HG23      VAL  70 -12.304   8.893 -16.826
  575    H    LEU  71           H        LEU  71 -10.662  11.816 -17.718
  576    HA   LEU  71           HA       LEU  71 -11.477  12.482 -14.942
  577    HB2  LEU  71           HB2      LEU  71 -10.218  14.070 -16.565
  578    HB3  LEU  71           HB3      LEU  71 -11.684  14.041 -17.543
  579    HG   LEU  71           HG       LEU  71 -11.078  15.971 -15.842
  580   HD11  LEU  71          HD11      LEU  71 -13.825  14.894 -16.620
  581   HD12  LEU  71          HD12      LEU  71 -13.547  16.504 -15.856
  582   HD13  LEU  71          HD13      LEU  71 -12.861  16.107 -17.442
  583   HD21  LEU  71          HD21      LEU  71 -12.205  15.950 -13.800
  584   HD22  LEU  71          HD22      LEU  71 -13.019  14.415 -14.130
  585   HD23  LEU  71          HD23      LEU  71 -11.267  14.454 -13.795
  586    H    ARG  72           H        ARG  72 -13.665  12.270 -14.536
  587    HA   ARG  72           HA       ARG  72 -15.433  11.722 -16.846
  588    HB2  ARG  72           HB2      ARG  72 -16.399   9.870 -15.858
  589    HB3  ARG  72           HB3      ARG  72 -14.714   9.693 -15.432
  590    HG2  ARG  72           HG2      ARG  72 -15.325   9.407 -13.274
  591    HG3  ARG  72           HG3      ARG  72 -15.870  11.084 -13.215
  592    HD2  ARG  72           HD2      ARG  72 -18.089  10.343 -14.128
  593    HD3  ARG  72           HD3      ARG  72 -17.515   8.667 -14.086
  594    HE   ARG  72           HE       ARG  72 -17.290   9.905 -11.482
  595   HH11  ARG  72          HH21      ARG  72 -19.761   8.565 -13.716
  596   HH12  ARG  72          HH22      ARG  72 -20.856   8.164 -12.449
  597   HH21  ARG  72          HH11      ARG  72 -18.865   9.446  -9.804
  598   HH22  ARG  72          HH12      ARG  72 -20.312   8.631 -10.229
  599    H    LEU  73           H        LEU  73 -14.939  14.197 -15.349
  600    HA   LEU  73           HA       LEU  73 -16.138  16.080 -14.920
  601    HB2  LEU  73           HB2      LEU  73 -18.482  14.536 -16.126
  602    HB3  LEU  73           HB3      LEU  73 -18.393  16.247 -15.889
  603    HG   LEU  73           HG       LEU  73 -18.048  15.858 -18.163
  604   HD11  LEU  73          HD11      LEU  73 -15.418  16.682 -16.986
  605   HD12  LEU  73          HD12      LEU  73 -16.040  17.091 -18.581
  606   HD13  LEU  73          HD13      LEU  73 -16.847  17.680 -17.139
  607   HD21  LEU  73          HD21      LEU  73 -16.690  14.295 -19.208
  608   HD22  LEU  73          HD22      LEU  73 -15.584  14.141 -17.834
  609   HD23  LEU  73          HD23      LEU  73 -17.203  13.404 -17.818
  610    H    ARG  74           H        ARG  74 -17.871  13.251 -13.575
  611    HA   ARG  74           HA       ARG  74 -19.859  14.723 -12.260
  612    HB2  ARG  74           HB2      ARG  74 -19.150  12.005 -12.612
  613    HB3  ARG  74           HB3      ARG  74 -19.089  12.228 -10.870
  614    HG2  ARG  74           HG2      ARG  74 -21.304  11.505 -11.425
  615    HG3  ARG  74           HG3      ARG  74 -21.433  13.211 -11.007
  616    HD2  ARG  74           HD2      ARG  74 -21.412  13.748 -13.501
  617    HD3  ARG  74           HD3      ARG  74 -21.447  12.006 -13.819
  618    HE   ARG  74           HE       ARG  74 -23.526  12.571 -11.997
  619   HH11  ARG  74          HH11      ARG  74 -22.801  13.253 -15.450
  620   HH12  ARG  74          HH12      ARG  74 -24.459  13.530 -15.839
  621   HH21  ARG  74          HH22      ARG  74 -25.708  12.914 -12.575
  622   HH22  ARG  74          HH21      ARG  74 -26.143  13.295 -14.199
  623    H    GLY  75           H        GLY  75 -20.253  14.754  -9.808
  624    HA2  GLY  75           HA2      GLY  75 -18.011  14.926  -8.027
  625    HA3  GLY  75           HA3      GLY  75 -18.508  16.539  -8.596
  626    H    GLY  76           H        GLY  76 -20.471  13.594  -7.916
  627    HA2  GLY  76           HA2      GLY  76 -21.717  14.393  -5.535
  628    HA3  GLY  76           HA3      GLY  76 -22.685  15.048  -6.867
  629    H1   GLY  -3           H1       GLY  -3 -13.268  18.829 -27.892
  630    H2   GLY  -3           H2       GLY  -3 -11.751  19.122 -28.458
  631    H3   GLY  -3           H3       GLY  -3 -13.051  19.710 -29.257
  632    HA2  GLY  -3           HA2      GLY  -3 -13.818  17.518 -29.854
  633    HA3  GLY  -3           HA3      GLY  -3 -12.181  17.808 -30.448
  634    H    HIS  -2           H        HIS  -2 -10.753  16.129 -30.053
  635    HA   HIS  -2           HA       HIS  -2 -11.535  13.880 -28.440
  636    HB2  HIS  -2           HB2      HIS  -2  -8.892  14.536 -29.779
  637    HB3  HIS  -2           HB3      HIS  -2  -9.383  12.944 -29.220
  638    HD2  HIS  -2           HD2      HIS  -2  -9.026  14.609 -32.359
  639    HE1  HIS  -2           HE1      HIS  -2 -12.566  12.336 -33.027
  640    H    MET  -1           H        MET  -1 -10.340  16.769 -27.314
  641    HA   MET  -1           HA       MET  -1  -9.628  15.593 -24.766
  642    HB2  MET  -1           HB2      MET  -1  -7.600  17.037 -24.553
  643    HB3  MET  -1           HB3      MET  -1  -7.394  15.728 -25.708
  644    HG2  MET  -1           HG2      MET  -1  -8.020  18.602 -26.497
  645    HG3  MET  -1           HG3      MET  -1  -6.398  17.957 -26.318
  646    HE1  MET  -1           HE1      MET  -1  -6.569  18.423 -30.159
  647    HE2  MET  -1           HE2      MET  -1  -7.272  19.462 -28.907
  648    HE3  MET  -1           HE3      MET  -1  -5.665  18.747 -28.663
  649    H    PHE 679           H        PHE 679  -9.698  17.375 -23.064
  650    HA   PHE 679           HA       PHE 679 -11.192  19.777 -23.956
  651    HB2  PHE 679           HB2      PHE 679 -12.334  17.525 -22.377
  652    HB3  PHE 679           HB3      PHE 679 -12.652  19.161 -21.789
  653    HD1  PHE 679           HD1      PHE 679 -13.026  17.030 -24.844
  654    HD2  PHE 679           HD2      PHE 679 -14.305  20.543 -22.693
  655    HE1  PHE 679           HE1      PHE 679 -14.985  17.251 -26.356
  656    HE2  PHE 679           HE2      PHE 679 -16.222  20.794 -24.243
  657    HZ   PHE 679           HZ       PHE 679 -16.570  19.147 -26.077
  658    HA   PRO 680           HA       PRO 680  -8.991  20.902 -19.999
  659    HB2  PRO 680           HB2      PRO 680  -8.421  19.208 -17.941
  660    HB3  PRO 680           HB3      PRO 680 -10.017  19.989 -18.132
  661    HG2  PRO 680           HG2      PRO 680  -9.206  17.195 -18.932
  662    HG3  PRO 680           HG3      PRO 680 -10.674  17.714 -18.055
  663    HD2  PRO 680           HD2      PRO 680 -10.679  17.260 -20.764
  664    HD3  PRO 680           HD3      PRO 680 -11.699  18.498 -19.973
  665    H    SER 681           H        SER 681  -6.658  20.786 -19.345
  666    HA   SER 681           HA       SER 681  -4.987  19.824 -21.355
  667    HB2  SER 681           HB2      SER 681  -4.186  20.400 -18.483
  668    HB3  SER 681           HB3      SER 681  -3.189  20.590 -19.929
  669    HG   SER 681           HG       SER 681  -4.478  22.334 -20.570
  670    H    ASP 682           H        ASP 682  -6.298  18.021 -18.702
  671    HA   ASP 682           HA       ASP 682  -4.315  15.976 -18.413
  672    HB2  ASP 682           HB2      ASP 682  -6.145  16.619 -16.831
  673    HB3  ASP 682           HB3      ASP 682  -7.277  15.846 -17.975
  674    H    ILE 683           H        ILE 683  -6.019  16.539 -21.243
  675    HA   ILE 683           HA       ILE 683  -6.110  13.615 -21.799
  676    HB   ILE 683           HB       ILE 683  -8.165  15.359 -23.031
  677   HG12  ILE 683          HG12      ILE 683  -8.456  16.014 -20.650
  678   HG13  ILE 683          HG13      ILE 683  -9.818  15.189 -21.362
  679   HG21  ILE 683          HG21      ILE 683  -9.340  13.474 -23.256
  680   HG22  ILE 683          HG22      ILE 683  -7.696  12.857 -23.438
  681   HG23  ILE 683          HG23      ILE 683  -8.563  12.644 -21.897
  682   HD11  ILE 683          HD11      ILE 683  -7.922  13.664 -19.569
  683   HD12  ILE 683          HD12      ILE 683  -9.277  14.617 -18.952
  684   HD13  ILE 683          HD13      ILE 683  -9.572  13.268 -20.040
  685    H    ASP 684           H        ASP 684  -5.536  12.974 -23.860
  686    HA   ASP 684           HA       ASP 684  -4.722  14.893 -25.927
  687    HB2  ASP 684           HB2      ASP 684  -2.702  14.615 -24.623
  688    HB3  ASP 684           HB3      ASP 684  -2.908  12.859 -24.557
  689    HA   PRO 685           HA       PRO 685  -6.883  11.918 -28.321
  690    HB2  PRO 685           HB2      PRO 685  -4.622  12.170 -30.322
  691    HB3  PRO 685           HB3      PRO 685  -6.387  12.156 -30.614
  692    HG2  PRO 685           HG2      PRO 685  -5.031  14.504 -30.534
  693    HG3  PRO 685           HG3      PRO 685  -6.632  14.354 -29.741
  694    HD2  PRO 685           HD2      PRO 685  -3.905  14.331 -28.488
  695    HD3  PRO 685           HD3      PRO 685  -5.431  15.046 -27.889
  696    H    GLN 686           H        GLN 686  -3.297  11.160 -28.182
  697    HA   GLN 686           HA       GLN 686  -3.708   8.584 -29.322
  698    HB2  GLN 686           HB2      GLN 686  -1.542   9.739 -29.358
  699    HB3  GLN 686           HB3      GLN 686  -1.407   9.605 -27.604
  700    HG2  GLN 686           HG2      GLN 686  -0.020   7.934 -28.725
  701    HG3  GLN 686           HG3      GLN 686  -1.266   7.151 -27.766
  702   HE21  GLN 686          HE22      GLN 686  -3.051   6.036 -28.893
  703   HE22  GLN 686          HE21      GLN 686  -2.847   5.570 -30.573
  704    H    VAL 687           H        VAL 687  -3.363   9.556 -25.847
  705    HA   VAL 687           HA       VAL 687  -3.653   6.818 -24.926
  706    HB   VAL 687           HB       VAL 687  -4.439   9.257 -23.318
  707   HG11  VAL 687          HG11      VAL 687  -4.755   6.981 -22.392
  708   HG12  VAL 687          HG12      VAL 687  -3.065   6.618 -22.629
  709   HG13  VAL 687          HG13      VAL 687  -3.555   7.880 -21.447
  710   HG21  VAL 687          HG21      VAL 687  -2.312   9.998 -24.172
  711   HG22  VAL 687          HG22      VAL 687  -2.061   9.390 -22.539
  712   HG23  VAL 687          HG23      VAL 687  -1.588   8.382 -23.932
  713    H    PHE 688           H        PHE 688  -5.849   9.416 -25.839
  714    HA   PHE 688           HA       PHE 688  -8.167   8.348 -24.528
  715    HB2  PHE 688           HB2      PHE 688  -7.746  10.598 -24.861
  716    HB3  PHE 688           HB3      PHE 688  -7.692  10.451 -26.618
  717    HD1  PHE 688           HD2      PHE 688 -10.200   9.648 -23.871
  718    HD2  PHE 688           HD1      PHE 688  -9.533  10.881 -27.950
  719    HE1  PHE 688           HE2      PHE 688 -12.647   9.991 -24.190
  720    HE2  PHE 688           HE1      PHE 688 -11.973  11.205 -28.251
  721    HZ   PHE 688           HZ       PHE 688 -13.527  10.795 -26.355
  722    H    TYR 689           H        TYR 689  -6.598   7.837 -27.688
  723    HA   TYR 689           HA       TYR 689  -8.716   6.139 -28.726
  724    HB2  TYR 689           HB2      TYR 689  -5.778   6.403 -29.447
  725    HB3  TYR 689           HB3      TYR 689  -6.977   5.542 -30.399
  726    HD1  TYR 689           HD1      TYR 689  -9.169   7.925 -29.945
  727    HD2  TYR 689           HD2      TYR 689  -5.100   7.681 -31.388
  728    HE1  TYR 689           HE1      TYR 689  -9.527   9.955 -31.293
  729    HE2  TYR 689           HE2      TYR 689  -5.463   9.714 -32.750
  730    HH   TYR 689           HH       TYR 689  -6.978  11.366 -33.420
  731    H    GLU 690           H        GLU 690  -5.806   5.660 -26.685
  732    HA   GLU 690           HA       GLU 690  -5.724   2.807 -26.785
  733    HB2  GLU 690           HB2      GLU 690  -4.047   4.578 -25.842
  734    HB3  GLU 690           HB3      GLU 690  -4.989   4.406 -24.362
  735    HG2  GLU 690           HG2      GLU 690  -3.077   2.939 -24.264
  736    HG3  GLU 690           HG3      GLU 690  -4.531   1.956 -24.364
  737    H    LEU 691           H        LEU 691  -7.733   5.035 -24.963
  738    HA   LEU 691           HA       LEU 691  -8.986   3.300 -23.092
  739    HB2  LEU 691           HB2      LEU 691  -9.316   5.977 -24.231
  740    HB3  LEU 691           HB3      LEU 691 -10.867   5.204 -24.156
  741    HG   LEU 691           HG       LEU 691 -10.523   6.602 -22.304
  742   HD11  LEU 691          HD11      LEU 691 -10.338   3.975 -20.953
  743   HD12  LEU 691          HD12      LEU 691 -11.392   5.362 -20.662
  744   HD13  LEU 691          HD13      LEU 691 -11.690   4.356 -22.076
  745   HD21  LEU 691          HD21      LEU 691  -8.010   6.469 -22.168
  746   HD22  LEU 691          HD22      LEU 691  -8.726   6.038 -20.586
  747   HD23  LEU 691          HD23      LEU 691  -8.109   4.782 -21.651
  748    HA   PRO 692           HA       PRO 692 -11.901   0.872 -25.723
  749    HB2  PRO 692           HB2      PRO 692 -14.105   0.861 -24.019
  750    HB3  PRO 692           HB3      PRO 692 -12.682  -0.191 -23.772
  751    HG2  PRO 692           HG2      PRO 692 -13.079   2.651 -22.635
  752    HG3  PRO 692           HG3      PRO 692 -12.841   1.114 -21.682
  753    HD2  PRO 692           HD2      PRO 692 -10.639   2.414 -22.211
  754    HD3  PRO 692           HD3      PRO 692 -10.686   0.766 -22.835
  755    H    GLU 693           H        GLU 693 -13.883   1.274 -26.885
  756    HA   GLU 693           HA       GLU 693 -14.535   3.910 -27.655
  757    HB2  GLU 693           HB2      GLU 693 -14.949   1.687 -28.833
  758    HB3  GLU 693           HB3      GLU 693 -16.259   1.390 -27.699
  759    HG2  GLU 693           HG2      GLU 693 -17.346   2.165 -29.591
  760    HG3  GLU 693           HG3      GLU 693 -17.297   3.587 -28.566
  761    H    ALA 694           H        ALA 694 -16.071   1.730 -25.294
  762    HA   ALA 694           HA       ALA 694 -18.388   3.064 -24.682
  763    HB1  ALA 694           HB1      ALA 694 -18.237   1.797 -22.524
  764    HB2  ALA 694           HB2      ALA 694 -17.787   0.803 -23.931
  765    HB3  ALA 694           HB3      ALA 694 -16.526   1.461 -22.860
  766    H    VAL 695           H        VAL 695 -15.364   3.322 -22.753
  767    HA   VAL 695           HA       VAL 695 -16.545   5.328 -21.039
  768    HB   VAL 695           HB       VAL 695 -13.632   4.570 -21.329
  769   HG11  VAL 695          HG11      VAL 695 -15.141   5.990 -19.093
  770   HG12  VAL 695          HG12      VAL 695 -13.492   5.364 -18.935
  771   HG13  VAL 695          HG13      VAL 695 -13.833   6.664 -20.093
  772   HG21  VAL 695          HG21      VAL 695 -15.654   3.451 -19.347
  773   HG22  VAL 695          HG22      VAL 695 -14.988   2.562 -20.723
  774   HG23  VAL 695          HG23      VAL 695 -13.918   3.064 -19.425
  775    H    GLN 696           H        GLN 696 -14.659   5.452 -24.109
  776    HA   GLN 696           HA       GLN 696 -14.076   8.212 -23.889
  777    HB2  GLN 696           HB2      GLN 696 -14.668   6.545 -26.391
  778    HB3  GLN 696           HB3      GLN 696 -14.146   8.221 -26.445
  779    HG2  GLN 696           HG2      GLN 696 -11.985   7.658 -25.484
  780    HG3  GLN 696           HG3      GLN 696 -12.524   6.037 -25.160
  781   HE21  GLN 696          HE22      GLN 696 -11.676   4.582 -26.671
  782   HE22  GLN 696          HE21      GLN 696 -11.479   4.905 -28.376
  783    H    LYS 697           H        LYS 697 -17.000   6.436 -25.115
  784    HA   LYS 697           HA       LYS 697 -18.485   8.747 -25.965
  785    HB2  LYS 697           HB2      LYS 697 -19.322   5.965 -25.097
  786    HB3  LYS 697           HB3      LYS 697 -20.504   7.244 -25.108
  787    HG2  LYS 697           HG2      LYS 697 -20.809   6.254 -27.136
  788    HG3  LYS 697           HG3      LYS 697 -19.919   7.710 -27.547
  789    HD2  LYS 697           HD2      LYS 697 -18.565   5.016 -27.130
  790    HD3  LYS 697           HD3      LYS 697 -19.307   5.403 -28.666
  791    HE2  LYS 697           HE2      LYS 697 -17.311   7.362 -27.501
  792    HE3  LYS 697           HE3      LYS 697 -16.721   5.862 -28.189
  793    HZ1  LYS 697           HZ1      LYS 697 -17.761   6.408 -30.283
  794    HZ2  LYS 697           HZ2      LYS 697 -18.423   7.795 -29.702
  795    HZ3  LYS 697           HZ3      LYS 697 -16.793   7.625 -29.861
  796    H    GLU 698           H        GLU 698 -18.187   7.251 -22.727
  797    HA   GLU 698           HA       GLU 698 -20.076   8.969 -21.433
  798    HB2  GLU 698           HB2      GLU 698 -18.345   7.023 -20.425
  799    HB3  GLU 698           HB3      GLU 698 -17.563   8.512 -19.851
  800    HG2  GLU 698           HG2      GLU 698 -18.942   8.188 -18.110
  801    HG3  GLU 698           HG3      GLU 698 -19.971   9.216 -19.076
  802    H    LEU 699           H        LEU 699 -16.592   9.266 -21.937
  803    HA   LEU 699           HA       LEU 699 -16.138  11.697 -20.587
  804    HB2  LEU 699           HB2      LEU 699 -14.744  10.008 -22.647
  805    HB3  LEU 699           HB3      LEU 699 -14.139  11.618 -22.431
  806    HG   LEU 699           HG       LEU 699 -13.341  11.247 -20.324
  807   HD11  LEU 699          HD11      LEU 699 -13.928   9.438 -18.768
  808   HD12  LEU 699          HD12      LEU 699 -15.297  10.469 -19.106
  809   HD13  LEU 699          HD13      LEU 699 -15.180   8.866 -19.897
  810   HD21  LEU 699          HD21      LEU 699 -12.219   8.976 -20.416
  811   HD22  LEU 699          HD22      LEU 699 -13.242   8.560 -21.769
  812   HD23  LEU 699          HD23      LEU 699 -12.090   9.920 -21.902
  813    H    LEU 700           H        LEU 700 -16.358  11.234 -24.164
  814    HA   LEU 700           HA       LEU 700 -16.225  14.020 -24.623
  815    HB2  LEU 700           HB2      LEU 700 -16.925  13.573 -26.913
  816    HB3  LEU 700           HB3      LEU 700 -15.650  12.502 -26.343
  817    HG   LEU 700           HG       LEU 700 -17.879  11.018 -25.743
  818   HD11  LEU 700          HD11      LEU 700 -18.547  12.353 -28.390
  819   HD12  LEU 700          HD12      LEU 700 -19.420  11.012 -27.609
  820   HD13  LEU 700          HD13      LEU 700 -19.422  12.613 -26.867
  821   HD21  LEU 700          HD21      LEU 700 -17.316   9.655 -27.691
  822   HD22  LEU 700          HD22      LEU 700 -16.383  11.007 -28.390
  823   HD23  LEU 700          HD23      LEU 700 -15.860  10.225 -26.881
  824    H    ALA 701           H        ALA 701 -19.093  11.970 -24.043
  825    HA   ALA 701           HA       ALA 701 -20.943  14.010 -24.886
  826    HB1  ALA 701           HB1      ALA 701 -22.626  12.538 -23.859
  827    HB2  ALA 701           HB2      ALA 701 -21.478  11.603 -24.854
  828    HB3  ALA 701           HB3      ALA 701 -21.339  11.589 -23.073
  829    H    GLU 702           H        GLU 702 -19.804  12.909 -21.624
  830    HA   GLU 702           HA       GLU 702 -21.175  15.002 -20.187
  831    HB2  GLU 702           HB2      GLU 702 -18.673  13.377 -19.575
  832    HB3  GLU 702           HB3      GLU 702 -19.472  14.442 -18.416
  833    HG2  GLU 702           HG2      GLU 702 -20.931  12.129 -19.617
  834    HG3  GLU 702           HG3      GLU 702 -19.875  12.006 -18.200
  835    H    TRP 703           H        TRP 703 -17.938  14.821 -21.756
  836    HA   TRP 703           HA       TRP 703 -16.960  17.079 -20.472
  837    HB2  TRP 703           HB2      TRP 703 -16.340  16.001 -23.276
  838    HB3  TRP 703           HB3      TRP 703 -15.465  17.331 -22.566
  839    HD1  TRP 703           HD1      TRP 703 -15.043  15.521 -19.650
  840    HE1  TRP 703           HE1      TRP 703 -13.245  13.762 -19.658
  841    HE3  TRP 703           HE3      TRP 703 -14.287  15.089 -24.714
  842    HZ2  TRP 703           HZ2      TRP 703 -11.363  12.635 -21.521
  843    HZ3  TRP 703           HZ3      TRP 703 -12.463  13.644 -25.556
  844    HH2  TRP 703           HH2      TRP 703 -10.996  12.412 -23.964
  845    H    LYS 704           H        LYS 704 -18.592  16.874 -23.703
  846    HA   LYS 704           HA       LYS 704 -18.562  19.742 -24.015
  847    HB2  LYS 704           HB2      LYS 704 -19.971  19.425 -25.912
  848    HB3  LYS 704           HB3      LYS 704 -18.758  18.145 -25.904
  849    HG2  LYS 704           HG2      LYS 704 -20.455  16.587 -24.934
  850    HG3  LYS 704           HG3      LYS 704 -21.679  17.866 -25.052
  851    HD2  LYS 704           HD2      LYS 704 -21.423  17.946 -27.473
  852    HD3  LYS 704           HD3      LYS 704 -20.075  16.776 -27.403
  853    HE2  LYS 704           HE2      LYS 704 -21.517  15.047 -26.538
  854    HE3  LYS 704           HE3      LYS 704 -22.867  16.171 -26.337
  855    HZ1  LYS 704           HZ1      LYS 704 -22.968  16.390 -28.762
  856    HZ2  LYS 704           HZ2      LYS 704 -21.711  15.358 -28.969
  857    HZ3  LYS 704           HZ3      LYS 704 -23.126  14.821 -28.349
  858    H    ARG 705           H        ARG 705 -20.811  17.533 -22.357
  859    HA   ARG 705           HA       ARG 705 -23.023  19.395 -22.380
  860    HB2  ARG 705           HB2      ARG 705 -23.103  16.858 -22.170
  861    HB3  ARG 705           HB3      ARG 705 -22.488  17.028 -20.506
  862    HG2  ARG 705           HG2      ARG 705 -24.519  17.928 -19.752
  863    HG3  ARG 705           HG3      ARG 705 -24.963  18.548 -21.355
  864    HD2  ARG 705           HD2      ARG 705 -26.412  16.689 -20.790
  865    HD3  ARG 705           HD3      ARG 705 -25.390  16.310 -22.186
  866    HE   ARG 705           HE       ARG 705 -24.173  15.380 -19.738
  867   HH11  ARG 705          HH21      ARG 705 -26.865  14.574 -21.932
  868   HH12  ARG 705          HH22      ARG 705 -26.801  12.882 -21.601
  869   HH21  ARG 705          HH11      ARG 705 -24.061  13.170 -19.328
  870   HH22  ARG 705          HH12      ARG 705 -25.176  12.045 -20.071
  871    H    THR 706           H        THR 706 -20.370  18.693 -20.253
  872    HA   THR 706           HA       THR 706 -21.440  20.302 -18.035
  873    HB   THR 706           HB       THR 706 -19.046  18.421 -18.267
  874    HG1  THR 706           HG1      THR 706 -20.739  17.162 -18.699
  875   HG21  THR 706          HG21      THR 706 -18.865  19.658 -16.283
  876   HG22  THR 706          HG22      THR 706 -20.618  19.469 -15.918
  877   HG23  THR 706          HG23      THR 706 -19.523  18.067 -15.850
  878    H    GLY 707           H        GLY 707 -19.079  20.388 -20.586
  879    HA2  GLY 707           HA2      GLY 707 -17.095  22.104 -19.859
  880    HA3  GLY 707           HA3      GLY 707 -17.891  22.014 -21.445
  Start of MODEL   12
    1    H1   MET   1           H1       MET   1   4.603  -2.427  -2.594
    2    H2   MET   1           H2       MET   1   5.002  -0.831  -2.605
    3    H3   MET   1           H3       MET   1   3.467  -1.275  -2.911
    4    HA   MET   1           HA       MET   1   5.846  -1.798  -4.589
    5    HB2  MET   1           HB2      MET   1   4.524  -2.853  -6.234
    6    HB3  MET   1           HB3      MET   1   4.241  -3.712  -4.719
    7    HG2  MET   1           HG2      MET   1   2.021  -2.401  -4.592
    8    HG3  MET   1           HG3      MET   1   2.373  -1.841  -6.237
    9    HE1  MET   1           HE1      MET   1   0.494  -3.006  -7.796
   10    HE2  MET   1           HE2      MET   1  -0.286  -4.514  -7.268
   11    HE3  MET   1           HE3      MET   1  -0.333  -3.098  -6.208
   12    H    GLN   2           H        GLN   2   5.182  -0.929  -7.045
   13    HA   GLN   2           HA       GLN   2   3.766   1.650  -6.750
   14    HB2  GLN   2           HB2      GLN   2   5.425   2.806  -7.846
   15    HB3  GLN   2           HB3      GLN   2   6.347   1.765  -6.769
   16    HG2  GLN   2           HG2      GLN   2   5.953   1.291  -9.772
   17    HG3  GLN   2           HG3      GLN   2   7.327   2.067  -9.018
   18   HE21  GLN   2          HE22      GLN   2   9.049   0.648  -9.381
   19   HE22  GLN   2          HE21      GLN   2   9.000  -1.053  -8.963
   20    H    ILE   3           H        ILE   3   2.808   2.433  -8.717
   21    HA   ILE   3           HA       ILE   3   2.746   0.533 -11.059
   22    HB   ILE   3           HB       ILE   3   0.274   0.845 -11.226
   23   HG12  ILE   3          HG12      ILE   3   0.300   1.610  -8.276
   24   HG13  ILE   3          HG13      ILE   3   0.365   2.825  -9.527
   25   HG21  ILE   3          HG21      ILE   3   1.130  -0.731  -8.733
   26   HG22  ILE   3          HG22      ILE   3  -0.278  -1.027  -9.782
   27   HG23  ILE   3          HG23      ILE   3   1.358  -1.265 -10.404
   28   HD11  ILE   3          HD11      ILE   3  -1.869   0.817  -9.235
   29   HD12  ILE   3          HD12      ILE   3  -1.891   2.569  -8.858
   30   HD13  ILE   3          HD13      ILE   3  -1.686   2.023 -10.537
   31    H    PHE   4           H        PHE   4   1.940   1.515 -12.957
   32    HA   PHE   4           HA       PHE   4   2.699   4.398 -13.025
   33    HB2  PHE   4           HB2      PHE   4   2.781   2.526 -15.381
   34    HB3  PHE   4           HB3      PHE   4   3.658   4.021 -15.060
   35    HD1  PHE   4           HD2      PHE   4   5.072   3.830 -12.739
   36    HD2  PHE   4           HD1      PHE   4   4.124   0.582 -15.372
   37    HE1  PHE   4           HE2      PHE   4   6.946   2.512 -11.780
   38    HE2  PHE   4           HE1      PHE   4   6.136  -0.633 -14.564
   39    HZ   PHE   4           HZ       PHE   4   7.551   0.315 -12.785
   40    H    VAL   5           H        VAL   5   0.739   5.483 -12.918
   41    HA   VAL   5           HA       VAL   5  -1.570   4.378 -14.453
   42    HB   VAL   5           HB       VAL   5  -1.406   6.626 -12.433
   43   HG11  VAL   5          HG11      VAL   5  -3.913   6.488 -12.498
   44   HG12  VAL   5          HG12      VAL   5  -3.142   7.137 -13.948
   45   HG13  VAL   5          HG13      VAL   5  -3.793   5.460 -13.956
   46   HG21  VAL   5          HG21      VAL   5  -2.658   5.031 -11.015
   47   HG22  VAL   5          HG22      VAL   5  -2.620   3.819 -12.273
   48   HG23  VAL   5          HG23      VAL   5  -1.105   4.305 -11.514
   49    H    LYS   6           H        LYS   6  -1.375   4.795 -16.625
   50    HA   LYS   6           HA       LYS   6  -0.093   7.222 -17.525
   51    HB2  LYS   6           HB2      LYS   6  -0.186   4.946 -18.768
   52    HB3  LYS   6           HB3      LYS   6  -1.827   5.431 -19.246
   53    HG2  LYS   6           HG2      LYS   6  -0.767   7.680 -20.014
   54    HG3  LYS   6           HG3      LYS   6   0.786   6.940 -19.682
   55    HD2  LYS   6           HD2      LYS   6  -0.336   5.053 -21.314
   56    HD3  LYS   6           HD3      LYS   6  -1.181   6.513 -21.888
   57    HE2  LYS   6           HE2      LYS   6   0.804   6.224 -23.255
   58    HE3  LYS   6           HE3      LYS   6   1.076   7.621 -22.207
   59    HZ1  LYS   6           HZ1      LYS   6   2.483   6.179 -20.776
   60    HZ2  LYS   6           HZ2      LYS   6   2.167   4.877 -21.735
   61    HZ3  LYS   6           HZ3      LYS   6   3.014   6.135 -22.320
   62    H    THR   7           H        THR   7  -1.113   9.212 -17.748
   63    HA   THR   7           HA       THR   7  -4.034   9.182 -17.620
   64    HB   THR   7           HB       THR   7  -4.009  11.480 -17.605
   65    HG1  THR   7           HG1      THR   7  -2.128  12.689 -17.726
   66   HG21  THR   7          HG21      THR   7  -3.816  10.544 -15.439
   67   HG22  THR   7          HG22      THR   7  -2.041  10.381 -15.583
   68   HG23  THR   7          HG23      THR   7  -2.808  11.991 -15.476
   69    H    LEU   8           H        LEU   8  -5.273  10.348 -19.069
   70    HA   LEU   8           HA       LEU   8  -4.830   9.179 -21.617
   71    HB2  LEU   8           HB2      LEU   8  -6.741  11.343 -20.805
   72    HB3  LEU   8           HB3      LEU   8  -6.612  10.679 -22.454
   73    HG   LEU   8           HG       LEU   8  -7.758   9.471 -20.003
   74   HD11  LEU   8          HD11      LEU   8  -8.690   9.697 -22.839
   75   HD12  LEU   8          HD12      LEU   8  -9.548   8.809 -21.552
   76   HD13  LEU   8          HD13      LEU   8  -9.306  10.530 -21.377
   77   HD21  LEU   8          HD21      LEU   8  -6.684   7.923 -22.419
   78   HD22  LEU   8          HD22      LEU   8  -6.203   7.697 -20.695
   79   HD23  LEU   8          HD23      LEU   8  -7.796   7.232 -21.234
   80    H    THR   9           H        THR   9  -3.364  12.119 -20.434
   81    HA   THR   9           HA       THR   9  -3.201  13.370 -23.001
   82    HB   THR   9           HB       THR   9  -3.081  14.524 -20.808
   83    HG1  THR   9           HG1      THR   9  -1.985  16.129 -21.660
   84   HG21  THR   9          HG21      THR   9  -1.273  13.066 -19.806
   85   HG22  THR   9          HG22      THR   9  -0.124  14.004 -20.783
   86   HG23  THR   9          HG23      THR   9  -1.154  14.822 -19.571
   87    H    GLY  10           H        GLY  10  -1.682  10.622 -21.713
   88    HA2  GLY  10           HA2      GLY  10   0.098   9.378 -22.579
   89    HA3  GLY  10           HA3      GLY  10   0.588  10.747 -23.601
   90    H    LYS  11           H        LYS  11  -0.171  10.706 -20.018
   91    HA   LYS  11           HA       LYS  11   2.776  11.168 -19.544
   92    HB2  LYS  11           HB2      LYS  11   1.608  13.220 -19.043
   93    HB3  LYS  11           HB3      LYS  11   0.356  12.387 -18.134
   94    HG2  LYS  11           HG2      LYS  11   3.180  12.045 -17.216
   95    HG3  LYS  11           HG3      LYS  11   2.439  13.631 -17.002
   96    HD2  LYS  11           HD2      LYS  11   1.319  11.033 -15.907
   97    HD3  LYS  11           HD3      LYS  11   2.303  12.168 -14.999
   98    HE2  LYS  11           HE2      LYS  11  -0.466  12.738 -16.188
   99    HE3  LYS  11           HE3      LYS  11  -0.093  12.350 -14.511
  100    HZ1  LYS  11           HZ1      LYS  11   1.249  14.394 -14.384
  101    HZ2  LYS  11           HZ2      LYS  11   0.723  14.848 -15.887
  102    HZ3  LYS  11           HZ3      LYS  11  -0.340  14.636 -14.630
  103    H    THR  12           H        THR  12   3.526   9.818 -17.757
  104    HA   THR  12           HA       THR  12   1.460   7.979 -16.626
  105    HB   THR  12           HB       THR  12   4.292   7.100 -17.039
  106    HG1  THR  12           HG1      THR  12   3.917   7.575 -19.131
  107   HG21  THR  12          HG21      THR  12   1.663   5.607 -17.395
  108   HG22  THR  12          HG22      THR  12   3.271   4.937 -17.101
  109   HG23  THR  12          HG23      THR  12   2.425   5.829 -15.797
  110    H    ILE  13           H        ILE  13   1.063   8.315 -14.638
  111    HA   ILE  13           HA       ILE  13   3.138   9.630 -12.980
  112    HB   ILE  13           HB       ILE  13   1.449  10.960 -12.691
  113   HG12  ILE  13          HG12      ILE  13   1.807   9.401 -10.477
  114   HG13  ILE  13          HG13      ILE  13   0.909  10.892 -10.559
  115   HG21  ILE  13          HG21      ILE  13  -0.267  10.182 -14.130
  116   HG22  ILE  13          HG22      ILE  13  -0.719   8.893 -12.987
  117   HG23  ILE  13          HG23      ILE  13  -0.939  10.627 -12.536
  118   HD11  ILE  13          HD11      ILE  13  -1.185   9.819 -10.441
  119   HD12  ILE  13          HD12      ILE  13  -0.445   8.226 -10.849
  120   HD13  ILE  13          HD13      ILE  13  -0.149   8.989  -9.283
  121    H    THR  14           H        THR  14   4.291   8.307 -11.847
  122    HA   THR  14           HA       THR  14   3.393   5.569 -11.353
  123    HB   THR  14           HB       THR  14   5.874   7.010 -10.452
  124    HG1  THR  14           HG1      THR  14   6.846   6.310 -12.302
  125   HG21  THR  14          HG21      THR  14   5.654   4.951  -9.167
  126   HG22  THR  14          HG22      THR  14   5.103   4.013 -10.563
  127   HG23  THR  14          HG23      THR  14   6.791   4.549 -10.466
  128    H    LEU  15           H        LEU  15   2.749   4.846  -9.254
  129    HA   LEU  15           HA       LEU  15   3.063   6.711  -7.009
  130    HB2  LEU  15           HB2      LEU  15   0.788   6.585  -6.315
  131    HB3  LEU  15           HB3      LEU  15   0.844   7.273  -7.948
  132    HG   LEU  15           HG       LEU  15   0.281   4.324  -7.755
  133   HD11  LEU  15          HD11      LEU  15  -1.081   5.319  -5.923
  134   HD12  LEU  15          HD12      LEU  15  -1.778   6.469  -7.105
  135   HD13  LEU  15          HD13      LEU  15  -2.071   4.721  -7.258
  136   HD21  LEU  15          HD21      LEU  15  -1.232   4.802  -9.454
  137   HD22  LEU  15          HD22      LEU  15  -0.916   6.548  -9.389
  138   HD23  LEU  15          HD23      LEU  15   0.375   5.430  -9.924
  139    H    GLU  16           H        GLU  16   2.613   5.683  -4.929
  140    HA   GLU  16           HA       GLU  16   3.386   2.849  -5.144
  141    HB2  GLU  16           HB2      GLU  16   3.912   4.970  -3.046
  142    HB3  GLU  16           HB3      GLU  16   4.041   3.243  -2.666
  143    HG2  GLU  16           HG2      GLU  16   5.596   2.905  -4.538
  144    HG3  GLU  16           HG3      GLU  16   5.530   4.623  -4.931
  145    H    VAL  17           H        VAL  17   2.249   1.340  -4.363
  146    HA   VAL  17           HA       VAL  17  -0.350   1.760  -2.973
  147    HB   VAL  17           HB       VAL  17  -1.532   0.541  -4.773
  148   HG11  VAL  17          HG11      VAL  17  -0.035   2.880  -6.008
  149   HG12  VAL  17          HG12      VAL  17  -1.610   2.228  -6.490
  150   HG13  VAL  17          HG13      VAL  17  -1.429   3.018  -4.910
  151   HG21  VAL  17          HG21      VAL  17  -0.450   0.081  -6.946
  152   HG22  VAL  17          HG22      VAL  17   1.121   0.615  -6.305
  153   HG23  VAL  17          HG23      VAL  17   0.306  -0.836  -5.661
  154    H    GLU  18           H        GLU  18  -1.365  -0.729  -3.263
  155    HA   GLU  18           HA       GLU  18   0.689  -2.770  -2.735
  156    HB2  GLU  18           HB2      GLU  18  -1.833  -2.405  -1.052
  157    HB3  GLU  18           HB3      GLU  18  -0.685  -3.728  -0.913
  158    HG2  GLU  18           HG2      GLU  18  -0.228  -0.799  -0.256
  159    HG3  GLU  18           HG3      GLU  18  -0.399  -2.119   0.890
  160    HA   PRO  19           HA       PRO  19  -2.069  -4.819  -5.646
  161    HB2  PRO  19           HB2      PRO  19  -2.007  -7.267  -3.948
  162    HB3  PRO  19           HB3      PRO  19  -1.602  -7.059  -5.694
  163    HG2  PRO  19           HG2      PRO  19   0.301  -7.416  -3.737
  164    HG3  PRO  19           HG3      PRO  19   0.569  -6.438  -5.207
  165    HD2  PRO  19           HD2      PRO  19  -0.029  -5.522  -2.399
  166    HD3  PRO  19           HD3      PRO  19   0.993  -4.749  -3.659
  167    H    SER  20           H        SER  20  -2.764  -4.871  -2.163
  168    HA   SER  20           HA       SER  20  -5.616  -5.541  -2.494
  169    HB2  SER  20           HB2      SER  20  -5.374  -5.423   0.086
  170    HB3  SER  20           HB3      SER  20  -4.553  -6.755  -0.737
  171    HG   SER  20           HG       SER  20  -3.181  -5.698   0.800
  172    H    ASP  21           H        ASP  21  -3.849  -2.833  -3.052
  173    HA   ASP  21           HA       ASP  21  -5.369  -1.089  -1.385
  174    HB2  ASP  21           HB2      ASP  21  -3.071  -0.564  -2.361
  175    HB3  ASP  21           HB3      ASP  21  -3.902  -0.277  -3.912
  176    H    THR  22           H        THR  22  -7.254  -0.069  -1.912
  177    HA   THR  22           HA       THR  22  -8.798  -1.248  -4.025
  178    HB   THR  22           HB       THR  22 -10.564   0.484  -3.327
  179    HG1  THR  22           HG1      THR  22 -10.173   1.246  -1.125
  180   HG21  THR  22          HG21      THR  22 -11.227  -0.869  -1.403
  181   HG22  THR  22          HG22      THR  22 -10.703  -1.845  -2.786
  182   HG23  THR  22          HG23      THR  22  -9.616  -1.636  -1.375
  183    H    ILE  23           H        ILE  23  -9.562  -0.387  -5.822
  184    HA   ILE  23           HA       ILE  23  -8.302   1.620  -7.291
  185    HB   ILE  23           HB       ILE  23 -11.236   0.916  -7.274
  186   HG12  ILE  23          HG12      ILE  23 -10.429  -1.129  -7.783
  187   HG13  ILE  23          HG13      ILE  23 -10.378  -0.416  -9.403
  188   HG21  ILE  23          HG21      ILE  23  -9.593   2.123  -9.525
  189   HG22  ILE  23          HG22      ILE  23 -11.313   1.653  -9.617
  190   HG23  ILE  23          HG23      ILE  23 -10.816   2.988  -8.572
  191   HD11  ILE  23          HD11      ILE  23  -8.418  -1.714  -9.057
  192   HD12  ILE  23          HD12      ILE  23  -7.929   0.003  -9.078
  193   HD13  ILE  23          HD13      ILE  23  -8.030  -0.900  -7.550
  194    H    GLU  24           H        GLU  24 -11.076   2.163  -4.952
  195    HA   GLU  24           HA       GLU  24 -11.344   4.913  -5.468
  196    HB2  GLU  24           HB2      GLU  24 -12.789   3.457  -3.971
  197    HB3  GLU  24           HB3      GLU  24 -11.553   3.574  -2.730
  198    HG2  GLU  24           HG2      GLU  24 -11.814   6.040  -2.692
  199    HG3  GLU  24           HG3      GLU  24 -12.993   5.948  -4.007
  200    H    ASN  25           H        ASN  25  -9.059   3.268  -3.253
  201    HA   ASN  25           HA       ASN  25  -8.068   5.809  -2.216
  202    HB2  ASN  25           HB2      ASN  25  -8.125   3.672  -0.892
  203    HB3  ASN  25           HB3      ASN  25  -6.904   3.025  -1.997
  204   HD21  ASN  25          HD22      ASN  25  -5.126   2.893  -0.679
  205   HD22  ASN  25          HD21      ASN  25  -4.469   4.210   0.301
  206    H    VAL  26           H        VAL  26  -7.126   3.537  -4.781
  207    HA   VAL  26           HA       VAL  26  -4.612   4.729  -5.448
  208    HB   VAL  26           HB       VAL  26  -6.736   3.124  -6.881
  209   HG11  VAL  26          HG11      VAL  26  -5.139   2.726  -8.711
  210   HG12  VAL  26          HG12      VAL  26  -5.700   4.411  -8.614
  211   HG13  VAL  26          HG13      VAL  26  -4.068   3.981  -8.038
  212   HG21  VAL  26          HG21      VAL  26  -5.293   2.042  -5.065
  213   HG22  VAL  26          HG22      VAL  26  -5.339   1.252  -6.630
  214   HG23  VAL  26          HG23      VAL  26  -3.928   2.246  -6.163
  215    H    LYS  27           H        LYS  27  -7.987   5.295  -6.800
  216    HA   LYS  27           HA       LYS  27  -7.244   7.506  -8.350
  217    HB2  LYS  27           HB2      LYS  27  -9.824   7.079  -6.745
  218    HB3  LYS  27           HB3      LYS  27  -9.605   8.364  -7.923
  219    HG2  LYS  27           HG2      LYS  27  -9.386   6.601  -9.720
  220    HG3  LYS  27           HG3      LYS  27  -9.820   5.391  -8.488
  221    HD2  LYS  27           HD2      LYS  27 -11.828   6.938  -7.937
  222    HD3  LYS  27           HD3      LYS  27 -11.422   7.809  -9.417
  223    HE2  LYS  27           HE2      LYS  27 -11.864   5.820 -10.743
  224    HE3  LYS  27           HE3      LYS  27 -12.172   4.876  -9.259
  225    HZ1  LYS  27           HZ1      LYS  27 -14.249   5.800 -10.353
  226    HZ2  LYS  27           HZ2      LYS  27 -14.086   6.181  -8.777
  227    HZ3  LYS  27           HZ3      LYS  27 -13.753   7.321  -9.941
  228    H    ALA  28           H        ALA  28  -7.938   7.422  -4.805
  229    HA   ALA  28           HA       ALA  28  -7.927  10.272  -4.494
  230    HB1  ALA  28           HB1      ALA  28  -8.845   8.696  -2.797
  231    HB2  ALA  28           HB2      ALA  28  -7.191   8.139  -2.434
  232    HB3  ALA  28           HB3      ALA  28  -7.656   9.820  -2.114
  233    H    LYS  29           H        LYS  29  -5.293   7.836  -4.619
  234    HA   LYS  29           HA       LYS  29  -3.203   9.757  -3.931
  235    HB2  LYS  29           HB2      LYS  29  -3.135   7.100  -5.379
  236    HB3  LYS  29           HB3      LYS  29  -1.698   8.082  -5.018
  237    HG2  LYS  29           HG2      LYS  29  -2.081   7.924  -2.646
  238    HG3  LYS  29           HG3      LYS  29  -3.675   7.186  -2.878
  239    HD2  LYS  29           HD2      LYS  29  -2.701   5.200  -3.859
  240    HD3  LYS  29           HD3      LYS  29  -1.067   5.887  -3.773
  241    HE2  LYS  29           HE2      LYS  29  -2.619   5.885  -1.225
  242    HE3  LYS  29           HE3      LYS  29  -2.220   4.274  -1.848
  243    HZ1  LYS  29           HZ1      LYS  29  -0.218   6.403  -1.276
  244    HZ2  LYS  29           HZ2      LYS  29  -0.473   5.062  -0.378
  245    HZ3  LYS  29           HZ3      LYS  29   0.129   4.919  -1.895
  246    H    ILE  30           H        ILE  30  -4.842   8.741  -7.005
  247    HA   ILE  30           HA       ILE  30  -3.136  10.385  -8.624
  248    HB   ILE  30           HB       ILE  30  -6.059   9.936  -9.218
  249   HG12  ILE  30          HG12      ILE  30  -5.316   7.730  -8.829
  250   HG13  ILE  30          HG13      ILE  30  -5.412   7.939 -10.562
  251   HG21  ILE  30          HG21      ILE  30  -3.561  10.527 -10.845
  252   HG22  ILE  30          HG22      ILE  30  -5.056   9.976 -11.600
  253   HG23  ILE  30          HG23      ILE  30  -5.055  11.498 -10.719
  254   HD11  ILE  30          HD11      ILE  30  -2.985   8.093 -10.686
  255   HD12  ILE  30          HD12      ILE  30  -2.860   8.108  -8.902
  256   HD13  ILE  30          HD13      ILE  30  -3.516   6.669  -9.714
  257    H    GLN  31           H        GLN  31  -6.052  11.207  -6.793
  258    HA   GLN  31           HA       GLN  31  -6.289  13.902  -7.595
  259    HB2  GLN  31           HB2      GLN  31  -7.934  12.639  -6.161
  260    HB3  GLN  31           HB3      GLN  31  -6.799  12.847  -4.818
  261    HG2  GLN  31           HG2      GLN  31  -7.088  15.467  -5.597
  262    HG3  GLN  31           HG3      GLN  31  -8.665  14.834  -6.027
  263   HE21  GLN  31          HE22      GLN  31 -10.094  14.076  -4.293
  264   HE22  GLN  31          HE21      GLN  31  -9.692  14.359  -2.618
  265    H    ASP  32           H        ASP  32  -4.189  12.361  -5.147
  266    HA   ASP  32           HA       ASP  32  -2.973  14.808  -4.263
  267    HB2  ASP  32           HB2      ASP  32  -2.636  12.883  -2.904
  268    HB3  ASP  32           HB3      ASP  32  -1.979  11.949  -4.229
  269    H    LYS  33           H        LYS  33  -2.267  12.613  -7.069
  270    HA   LYS  33           HA       LYS  33   0.208  14.057  -7.587
  271    HB2  LYS  33           HB2      LYS  33  -1.085  11.832  -9.136
  272    HB3  LYS  33           HB3      LYS  33   0.590  12.390  -9.179
  273    HG2  LYS  33           HG2      LYS  33  -0.188  11.606  -6.427
  274    HG3  LYS  33           HG3      LYS  33  -0.556  10.339  -7.542
  275    HD2  LYS  33           HD2      LYS  33   1.652  10.042  -6.544
  276    HD3  LYS  33           HD3      LYS  33   1.762  10.223  -8.285
  277    HE2  LYS  33           HE2      LYS  33   3.528  11.513  -7.486
  278    HE3  LYS  33           HE3      LYS  33   2.293  12.689  -7.921
  279    HZ1  LYS  33           HZ1      LYS  33   2.988  11.755  -5.172
  280    HZ2  LYS  33           HZ2      LYS  33   3.183  13.260  -5.761
  281    HZ3  LYS  33           HZ3      LYS  33   1.676  12.694  -5.436
  282    H    GLU  34           H        GLU  34  -2.984  13.997  -8.880
  283    HA   GLU  34           HA       GLU  34  -2.267  15.675 -11.207
  284    HB2  GLU  34           HB2      GLU  34  -4.493  13.648 -10.694
  285    HB3  GLU  34           HB3      GLU  34  -4.336  14.597 -12.176
  286    HG2  GLU  34           HG2      GLU  34  -2.454  12.471 -11.115
  287    HG3  GLU  34           HG3      GLU  34  -3.403  12.430 -12.601
  288    H    GLY  35           H        GLY  35  -4.594  15.309  -8.539
  289    HA2  GLY  35           HA2      GLY  35  -5.498  17.185  -7.431
  290    HA3  GLY  35           HA3      GLY  35  -5.449  18.130  -8.922
  291    H    ILE  36           H        ILE  36  -6.706  14.902  -9.379
  292    HA   ILE  36           HA       ILE  36  -9.329  16.167  -9.930
  293    HB   ILE  36           HB       ILE  36  -8.112  13.529 -10.800
  294   HG12  ILE  36          HG12      ILE  36  -8.356  16.147 -12.387
  295   HG13  ILE  36          HG13      ILE  36  -6.855  15.582 -11.659
  296   HG21  ILE  36          HG21      ILE  36 -10.469  15.069 -11.997
  297   HG22  ILE  36          HG22      ILE  36  -9.934  13.417 -12.404
  298   HG23  ILE  36          HG23      ILE  36 -10.679  13.737 -10.847
  299   HD11  ILE  36          HD11      ILE  36  -6.984  13.503 -12.935
  300   HD12  ILE  36          HD12      ILE  36  -8.403  14.153 -13.821
  301   HD13  ILE  36          HD13      ILE  36  -6.826  14.957 -13.955
  302    HA   PRO  37           HA       PRO  37 -10.746  13.802  -6.360
  303    HB2  PRO  37           HB2      PRO  37 -13.512  14.211  -6.724
  304    HB3  PRO  37           HB3      PRO  37 -12.368  15.271  -5.839
  305    HG2  PRO  37           HG2      PRO  37 -13.604  15.671  -8.493
  306    HG3  PRO  37           HG3      PRO  37 -12.893  16.863  -7.379
  307    HD2  PRO  37           HD2      PRO  37 -11.673  15.772  -9.739
  308    HD3  PRO  37           HD3      PRO  37 -10.906  16.799  -8.491
  309    HA   PRO  38           HA       PRO  38 -11.431   9.907  -8.109
  310    HB2  PRO  38           HB2      PRO  38 -12.883   8.517  -6.232
  311    HB3  PRO  38           HB3      PRO  38 -11.119   8.868  -6.115
  312    HG2  PRO  38           HG2      PRO  38 -13.411  10.320  -4.792
  313    HG3  PRO  38           HG3      PRO  38 -11.820   9.862  -4.091
  314    HD2  PRO  38           HD2      PRO  38 -12.321  12.374  -4.995
  315    HD3  PRO  38           HD3      PRO  38 -10.716  11.604  -5.241
  316    H    ASP  39           H        ASP  39 -14.479  11.375  -6.939
  317    HA   ASP  39           HA       ASP  39 -16.040   9.466  -8.478
  318    HB2  ASP  39           HB2      ASP  39 -17.095  10.662  -6.630
  319    HB3  ASP  39           HB3      ASP  39 -16.740  12.226  -7.388
  320    H    GLN  40           H        GLN  40 -14.270  12.308  -9.203
  321    HA   GLN  40           HA       GLN  40 -15.661  12.839 -11.774
  322    HB2  GLN  40           HB2      GLN  40 -14.964  14.590 -10.135
  323    HB3  GLN  40           HB3      GLN  40 -13.278  14.154 -10.356
  324    HG2  GLN  40           HG2      GLN  40 -13.189  15.007 -12.521
  325    HG3  GLN  40           HG3      GLN  40 -14.951  15.012 -12.726
  326   HE21  GLN  40          HE22      GLN  40 -16.170  16.500 -11.187
  327   HE22  GLN  40          HE21      GLN  40 -15.455  18.075 -10.858
  328    H    GLN  41           H        GLN  41 -13.293  10.654 -10.716
  329    HA   GLN  41           HA       GLN  41 -11.606  10.873 -13.176
  330    HB2  GLN  41           HB2      GLN  41 -10.805  11.545 -10.855
  331    HB3  GLN  41           HB3      GLN  41 -11.160   9.916 -10.311
  332    HG2  GLN  41           HG2      GLN  41  -9.439   9.209 -12.144
  333    HG3  GLN  41           HG3      GLN  41  -8.941  10.918 -12.096
  334   HE21  GLN  41          HE21      GLN  41  -8.988  11.624  -9.320
  335   HE22  GLN  41          HE22      GLN  41  -8.069  10.451  -8.424
  336    H    ARG  42           H        ARG  42 -11.482   8.882 -14.409
  337    HA   ARG  42           HA       ARG  42 -12.576   6.470 -12.980
  338    HB2  ARG  42           HB2      ARG  42 -13.281   7.511 -15.576
  339    HB3  ARG  42           HB3      ARG  42 -12.463   5.927 -15.784
  340    HG2  ARG  42           HG2      ARG  42 -14.109   4.766 -14.901
  341    HG3  ARG  42           HG3      ARG  42 -14.491   5.983 -13.639
  342    HD2  ARG  42           HD2      ARG  42 -15.558   7.372 -15.494
  343    HD3  ARG  42           HD3      ARG  42 -15.422   5.960 -16.530
  344    HE   ARG  42           HE       ARG  42 -16.811   5.849 -13.845
  345   HH11  ARG  42          HH11      ARG  42 -17.007   4.878 -17.226
  346   HH12  ARG  42          HH12      ARG  42 -18.727   5.256 -17.371
  347   HH21  ARG  42          HH21      ARG  42 -19.124   5.595 -13.856
  348   HH22  ARG  42          HH22      ARG  42 -19.925   5.221 -15.342
  349    H    LEU  43           H        LEU  43 -11.641   4.446 -13.537
  350    HA   LEU  43           HA       LEU  43  -8.761   4.646 -14.242
  351    HB2  LEU  43           HB2      LEU  43  -9.834   4.096 -11.645
  352    HB3  LEU  43           HB3      LEU  43  -9.450   2.510 -12.316
  353    HG   LEU  43           HG       LEU  43  -7.150   3.225 -12.768
  354   HD11  LEU  43          HD11      LEU  43  -8.082   5.893 -11.563
  355   HD12  LEU  43          HD12      LEU  43  -6.369   5.427 -11.647
  356   HD13  LEU  43          HD13      LEU  43  -7.296   5.637 -13.133
  357   HD21  LEU  43          HD21      LEU  43  -8.041   3.839  -9.891
  358   HD22  LEU  43          HD22      LEU  43  -7.703   2.210 -10.568
  359   HD23  LEU  43          HD23      LEU  43  -6.412   3.403 -10.442
  360    H    ILE  44           H        ILE  44  -8.307   3.421 -15.812
  361    HA   ILE  44           HA       ILE  44  -9.931   0.989 -16.457
  362    HB   ILE  44           HB       ILE  44  -8.685   3.066 -18.338
  363   HG12  ILE  44          HG12      ILE  44 -11.591   2.098 -18.115
  364   HG13  ILE  44          HG13      ILE  44 -10.994   3.422 -17.131
  365   HG21  ILE  44          HG21      ILE  44  -9.482   1.866 -20.235
  366   HG22  ILE  44          HG22      ILE  44  -8.339   0.846 -19.377
  367   HG23  ILE  44          HG23      ILE  44 -10.109   0.539 -19.238
  368   HD11  ILE  44          HD11      ILE  44 -11.452   3.394 -20.073
  369   HD12  ILE  44          HD12      ILE  44 -12.000   4.515 -18.775
  370   HD13  ILE  44          HD13      ILE  44 -10.313   4.542 -19.318
  371    H    PHE  45           H        PHE  45  -8.753  -0.788 -17.281
  372    HA   PHE  45           HA       PHE  45  -5.780  -0.602 -17.074
  373    HB2  PHE  45           HB2      PHE  45  -6.527  -1.477 -14.911
  374    HB3  PHE  45           HB3      PHE  45  -7.608  -2.614 -15.716
  375    HD1  PHE  45           HD1      PHE  45  -3.968  -1.723 -16.183
  376    HD2  PHE  45           HD2      PHE  45  -6.893  -4.830 -15.563
  377    HE1  PHE  45           HE1      PHE  45  -2.160  -3.414 -16.142
  378    HE2  PHE  45           HE2      PHE  45  -5.074  -6.507 -15.408
  379    HZ   PHE  45           HZ       PHE  45  -2.713  -5.807 -15.668
  380    H    ALA  46           H        ALA  46  -5.110  -1.275 -19.034
  381    HA   ALA  46           HA       ALA  46  -5.032  -2.341 -21.022
  382    HB1  ALA  46           HB1      ALA  46  -4.856  -4.811 -20.670
  383    HB2  ALA  46           HB2      ALA  46  -4.114  -3.905 -19.327
  384    HB3  ALA  46           HB3      ALA  46  -5.726  -4.624 -19.123
  385    H    GLY  47           H        GLY  47  -7.461  -1.189 -20.820
  386    HA2  GLY  47           HA2      GLY  47  -9.136  -0.993 -22.415
  387    HA3  GLY  47           HA3      GLY  47  -8.907  -2.674 -22.905
  388    H    LYS  48           H        LYS  48  -9.326  -2.298 -19.443
  389    HA   LYS  48           HA       LYS  48 -12.282  -2.451 -19.688
  390    HB2  LYS  48           HB2      LYS  48 -12.503  -4.371 -18.390
  391    HB3  LYS  48           HB3      LYS  48 -11.217  -4.739 -19.520
  392    HG2  LYS  48           HG2      LYS  48  -9.594  -4.081 -17.571
  393    HG3  LYS  48           HG3      LYS  48 -11.023  -4.157 -16.543
  394    HD2  LYS  48           HD2      LYS  48  -9.926  -6.256 -16.352
  395    HD3  LYS  48           HD3      LYS  48 -11.370  -6.542 -17.346
  396    HE2  LYS  48           HE2      LYS  48  -9.951  -6.425 -19.406
  397    HE3  LYS  48           HE3      LYS  48  -8.531  -6.110 -18.402
  398    HZ1  LYS  48           HZ1      LYS  48  -8.687  -8.441 -19.036
  399    HZ2  LYS  48           HZ2      LYS  48  -8.830  -8.324 -17.408
  400    HZ3  LYS  48           HZ3      LYS  48 -10.154  -8.605 -18.339
  401    H    GLN  49           H        GLN  49 -13.353  -1.249 -18.245
  402    HA   GLN  49           HA       GLN  49 -11.922   0.631 -16.552
  403    HB2  GLN  49           HB2      GLN  49 -14.210   0.844 -17.827
  404    HB3  GLN  49           HB3      GLN  49 -14.885  -0.016 -16.432
  405    HG2  GLN  49           HG2      GLN  49 -13.955   1.818 -14.953
  406    HG3  GLN  49           HG3      GLN  49 -13.380   2.645 -16.396
  407   HE21  GLN  49          HE22      GLN  49 -16.377   1.469 -14.753
  408   HE22  GLN  49          HE21      GLN  49 -17.445   2.566 -15.597
  409    H    LEU  50           H        LEU  50 -11.850   0.669 -14.296
  410    HA   LEU  50           HA       LEU  50 -12.459  -1.912 -12.902
  411    HB2  LEU  50           HB2      LEU  50 -10.913   0.413 -11.733
  412    HB3  LEU  50           HB3      LEU  50 -10.908  -1.298 -11.281
  413    HG   LEU  50           HG       LEU  50  -9.536   0.002 -13.631
  414   HD11  LEU  50          HD11      LEU  50  -8.439   0.096 -11.404
  415   HD12  LEU  50          HD12      LEU  50  -8.414  -1.697 -11.390
  416   HD13  LEU  50          HD13      LEU  50  -7.506  -0.795 -12.622
  417   HD21  LEU  50          HD21      LEU  50  -8.660  -2.586 -13.786
  418   HD22  LEU  50          HD22      LEU  50 -10.329  -2.845 -13.296
  419   HD23  LEU  50          HD23      LEU  50  -9.992  -1.940 -14.766
  420    H    GLU  51           H        GLU  51 -13.102  -1.159 -10.345
  421    HA   GLU  51           HA       GLU  51 -14.705   1.248 -10.460
  422    HB2  GLU  51           HB2      GLU  51 -16.752   0.452  -9.702
  423    HB3  GLU  51           HB3      GLU  51 -16.338  -0.547 -11.086
  424    HG2  GLU  51           HG2      GLU  51 -15.638  -2.359  -9.576
  425    HG3  GLU  51           HG3      GLU  51 -16.030  -1.355  -8.164
  426    H    ASP  52           H        ASP  52 -15.300   2.012  -8.311
  427    HA   ASP  52           HA       ASP  52 -12.908   2.386  -6.921
  428    HB2  ASP  52           HB2      ASP  52 -15.802   3.033  -6.338
  429    HB3  ASP  52           HB3      ASP  52 -14.541   3.426  -5.175
  430    H    GLY  53           H        GLY  53 -15.556   0.164  -6.212
  431    HA2  GLY  53           HA2      GLY  53 -14.689  -0.447  -3.542
  432    HA3  GLY  53           HA3      GLY  53 -15.958  -1.251  -4.491
  433    H    ARG  54           H        ARG  54 -13.005  -1.259  -6.234
  434    HA   ARG  54           HA       ARG  54 -12.525  -4.132  -5.491
  435    HB2  ARG  54           HB2      ARG  54 -12.255  -2.591  -8.079
  436    HB3  ARG  54           HB3      ARG  54 -11.882  -4.324  -7.875
  437    HG2  ARG  54           HG2      ARG  54 -14.584  -2.983  -7.665
  438    HG3  ARG  54           HG3      ARG  54 -13.986  -3.937  -9.023
  439    HD2  ARG  54           HD2      ARG  54 -13.902  -5.922  -7.402
  440    HD3  ARG  54           HD3      ARG  54 -14.783  -4.902  -6.270
  441    HE   ARG  54           HE       ARG  54 -16.664  -4.881  -7.671
  442   HH11  ARG  54          HH11      ARG  54 -14.066  -6.831  -9.213
  443   HH12  ARG  54          HH12      ARG  54 -15.095  -7.335 -10.513
  444   HH21  ARG  54          HH21      ARG  54 -17.743  -5.156  -9.602
  445   HH22  ARG  54          HH22      ARG  54 -17.318  -6.450 -10.687
  446    H    THR  55           H        THR  55 -10.180  -4.728  -6.462
  447    HA   THR  55           HA       THR  55  -8.304  -2.592  -5.541
  448    HB   THR  55           HB       THR  55  -7.055  -4.392  -4.507
  449    HG1  THR  55           HG1      THR  55  -8.224  -6.462  -4.183
  450   HG21  THR  55          HG21      THR  55  -8.471  -3.158  -3.040
  451   HG22  THR  55          HG22      THR  55  -9.869  -4.220  -3.385
  452   HG23  THR  55          HG23      THR  55  -8.450  -4.847  -2.522
  453    H    LEU  56           H        LEU  56  -6.073  -3.192  -6.061
  454    HA   LEU  56           HA       LEU  56  -5.854  -3.528  -8.918
  455    HB2  LEU  56           HB2      LEU  56  -3.667  -3.854  -6.799
  456    HB3  LEU  56           HB3      LEU  56  -3.406  -3.542  -8.498
  457    HG   LEU  56           HG       LEU  56  -4.629  -1.682  -6.434
  458   HD11  LEU  56          HD11      LEU  56  -2.140  -1.452  -8.181
  459   HD12  LEU  56          HD12      LEU  56  -2.745  -0.239  -7.003
  460   HD13  LEU  56          HD13      LEU  56  -2.192  -1.823  -6.435
  461   HD21  LEU  56          HD21      LEU  56  -4.390  -1.333  -9.475
  462   HD22  LEU  56          HD22      LEU  56  -5.880  -1.291  -8.489
  463   HD23  LEU  56          HD23      LEU  56  -4.695   0.006  -8.359
  464    H    SER  57           H        SER  57  -5.209  -5.802  -6.245
  465    HA   SER  57           HA       SER  57  -4.608  -8.090  -7.775
  466    HB2  SER  57           HB2      SER  57  -5.822  -7.602  -5.051
  467    HB3  SER  57           HB3      SER  57  -5.679  -9.256  -5.704
  468    HG   SER  57           HG       SER  57  -3.828  -8.855  -4.580
  469    H    ASP  58           H        ASP  58  -7.853  -6.587  -7.134
  470    HA   ASP  58           HA       ASP  58  -9.334  -8.959  -7.813
  471    HB2  ASP  58           HB2      ASP  58 -10.220  -6.983  -6.585
  472    HB3  ASP  58           HB3      ASP  58 -10.147  -6.059  -8.095
  473    H    TYR  59           H        TYR  59  -7.665  -6.512  -9.612
  474    HA   TYR  59           HA       TYR  59  -8.584  -7.617 -12.217
  475    HB2  TYR  59           HB2      TYR  59  -7.382  -4.963 -11.444
  476    HB3  TYR  59           HB3      TYR  59  -7.641  -5.461 -13.124
  477    HD1  TYR  59           HD2      TYR  59 -10.021  -6.172 -13.812
  478    HD2  TYR  59           HD1      TYR  59  -9.180  -4.008 -10.149
  479    HE1  TYR  59           HE2      TYR  59 -12.409  -5.559 -13.622
  480    HE2  TYR  59           HE1      TYR  59 -11.521  -3.472  -9.926
  481    HH   TYR  59           HH       TYR  59 -13.743  -3.608 -10.941
  482    H    ASN  60           H        ASN  60  -6.340  -8.352 -10.126
  483    HA   ASN  60           HA       ASN  60  -4.458  -9.457 -10.102
  484    HB2  ASN  60           HB2      ASN  60  -5.871 -10.654 -12.042
  485    HB3  ASN  60           HB3      ASN  60  -4.502 -10.145 -13.023
  486   HD21  ASN  60          HD22      ASN  60  -5.326 -11.711  -9.888
  487   HD22  ASN  60          HD21      ASN  60  -3.983 -12.841  -9.880
  488    H    ILE  61           H        ILE  61  -4.423  -6.601 -10.921
  489    HA   ILE  61           HA       ILE  61  -1.971  -6.044 -12.369
  490    HB   ILE  61           HB       ILE  61  -3.692  -4.618 -10.325
  491   HG12  ILE  61          HG12      ILE  61  -3.511  -3.781 -13.217
  492   HG13  ILE  61          HG13      ILE  61  -4.572  -5.112 -12.767
  493   HG21  ILE  61          HG21      ILE  61  -2.555  -2.489 -10.925
  494   HG22  ILE  61          HG22      ILE  61  -1.439  -3.636 -10.201
  495   HG23  ILE  61          HG23      ILE  61  -1.433  -3.392 -11.962
  496   HD11  ILE  61          HD11      ILE  61  -5.811  -3.027 -12.768
  497   HD12  ILE  61          HD12      ILE  61  -5.711  -3.683 -11.118
  498   HD13  ILE  61          HD13      ILE  61  -4.687  -2.335 -11.567
  499    H    GLN  62           H        GLN  62   0.071  -5.825 -11.470
  500    HA   GLN  62           HA       GLN  62   0.485  -6.548  -8.601
  501    HB2  GLN  62           HB2      GLN  62   2.135  -7.382 -11.031
  502    HB3  GLN  62           HB3      GLN  62   2.496  -7.782  -9.340
  503    HG2  GLN  62           HG2      GLN  62   0.423  -9.104  -9.176
  504    HG3  GLN  62           HG3      GLN  62  -0.003  -8.658 -10.826
  505   HE21  GLN  62          HE22      GLN  62   0.173 -10.466 -12.074
  506   HE22  GLN  62          HE21      GLN  62   1.562 -11.540 -12.087
  507    H    LYS  63           H        LYS  63   3.219  -5.968  -8.499
  508    HA   LYS  63           HA       LYS  63   3.462  -3.152  -8.535
  509    HB2  LYS  63           HB2      LYS  63   5.822  -3.719  -8.106
  510    HB3  LYS  63           HB3      LYS  63   4.771  -4.822  -7.186
  511    HG2  LYS  63           HG2      LYS  63   5.039  -6.382  -9.351
  512    HG3  LYS  63           HG3      LYS  63   6.439  -5.353  -9.634
  513    HD2  LYS  63           HD2      LYS  63   7.257  -7.197  -8.484
  514    HD3  LYS  63           HD3      LYS  63   7.158  -5.904  -7.259
  515    HE2  LYS  63           HE2      LYS  63   5.058  -6.908  -6.385
  516    HE3  LYS  63           HE3      LYS  63   5.129  -8.157  -7.648
  517    HZ1  LYS  63           HZ1      LYS  63   7.195  -8.958  -6.638
  518    HZ2  LYS  63           HZ2      LYS  63   7.137  -7.807  -5.479
  519    HZ3  LYS  63           HZ3      LYS  63   5.993  -8.976  -5.543
  520    H    GLU  64           H        GLU  64   4.922  -1.947  -9.740
  521    HA   GLU  64           HA       GLU  64   5.478  -0.968 -11.604
  522    HB2  GLU  64           HB2      GLU  64   7.510  -1.760 -12.518
  523    HB3  GLU  64           HB3      GLU  64   7.448  -2.303 -10.852
  524    HG2  GLU  64           HG2      GLU  64   6.705  -4.582 -11.842
  525    HG3  GLU  64           HG3      GLU  64   7.209  -3.891 -13.394
  526    H    SER  65           H        SER  65   3.050  -1.590 -11.882
  527    HA   SER  65           HA       SER  65   2.710  -2.797 -14.631
  528    HB2  SER  65           HB2      SER  65   0.881  -3.066 -12.224
  529    HB3  SER  65           HB3      SER  65   0.472  -3.559 -13.872
  530    HG   SER  65           HG       SER  65   2.695  -4.559 -12.387
  531    H    THR  66           H        THR  66   1.036  -1.869 -15.888
  532    HA   THR  66           HA       THR  66   0.855   1.005 -15.282
  533    HB   THR  66           HB       THR  66   0.581  -0.397 -17.975
  534    HG1  THR  66           HG1      THR  66   2.726  -0.024 -18.260
  535   HG21  THR  66          HG21      THR  66   1.125   1.781 -18.976
  536   HG22  THR  66          HG22      THR  66  -0.371   1.877 -18.056
  537   HG23  THR  66          HG23      THR  66   1.132   2.536 -17.365
  538    H    LEU  67           H        LEU  67  -0.965   2.140 -15.458
  539    HA   LEU  67           HA       LEU  67  -3.585   0.786 -15.854
  540    HB2  LEU  67           HB2      LEU  67  -2.391   1.926 -13.486
  541    HB3  LEU  67           HB3      LEU  67  -3.545   3.124 -14.087
  542    HG   LEU  67           HG       LEU  67  -5.306   1.433 -14.058
  543   HD11  LEU  67          HD11      LEU  67  -4.959  -0.703 -12.946
  544   HD12  LEU  67          HD12      LEU  67  -3.787  -0.606 -14.258
  545   HD13  LEU  67          HD13      LEU  67  -3.234  -0.315 -12.609
  546   HD21  LEU  67          HD21      LEU  67  -3.821   1.722 -11.411
  547   HD22  LEU  67          HD22      LEU  67  -4.896   2.939 -12.150
  548   HD23  LEU  67          HD23      LEU  67  -5.550   1.357 -11.620
  549    H    HIS  68           H        HIS  68  -5.316   2.658 -16.059
  550    HA   HIS  68           HA       HIS  68  -4.233   4.813 -17.860
  551    HB2  HIS  68           HB2      HIS  68  -6.408   2.773 -18.313
  552    HB3  HIS  68           HB3      HIS  68  -6.654   4.400 -18.921
  553    HD2  HIS  68           HD2      HIS  68  -5.793   4.902 -21.214
  554    HE1  HIS  68           HE1      HIS  68  -3.302   1.533 -21.899
  555    H    LEU  69           H        LEU  69  -5.221   6.956 -17.412
  556    HA   LEU  69           HA       LEU  69  -7.257   6.956 -15.208
  557    HB2  LEU  69           HB2      LEU  69  -4.834   7.818 -14.940
  558    HB3  LEU  69           HB3      LEU  69  -5.242   9.047 -16.112
  559    HG   LEU  69           HG       LEU  69  -5.159   9.743 -13.776
  560   HD11  LEU  69          HD11      LEU  69  -6.304  11.060 -15.553
  561   HD12  LEU  69          HD12      LEU  69  -7.851  10.336 -15.036
  562   HD13  LEU  69          HD13      LEU  69  -6.908  11.329 -13.919
  563   HD21  LEU  69          HD21      LEU  69  -7.817   8.277 -13.511
  564   HD22  LEU  69          HD22      LEU  69  -6.251   7.756 -12.820
  565   HD23  LEU  69          HD23      LEU  69  -6.979   9.269 -12.304
  566    H    VAL  70           H        VAL  70  -9.182   8.071 -15.840
  567    HA   VAL  70           HA       VAL  70  -8.963   9.940 -18.168
  568    HB   VAL  70           HB       VAL  70 -10.845   9.171 -19.254
  569   HG11  VAL  70          HG11      VAL  70  -8.867   7.571 -19.461
  570   HG12  VAL  70          HG12      VAL  70  -9.667   6.510 -18.319
  571   HG13  VAL  70          HG13      VAL  70 -10.454   6.879 -19.877
  572   HG21  VAL  70          HG21      VAL  70 -12.437   8.745 -17.431
  573   HG22  VAL  70          HG22      VAL  70 -12.397   7.369 -18.529
  574   HG23  VAL  70          HG23      VAL  70 -11.467   7.292 -17.013
  575    H    LEU  71           H        LEU  71 -10.833  11.381 -18.249
  576    HA   LEU  71           HA       LEU  71 -11.582  12.242 -15.501
  577    HB2  LEU  71           HB2      LEU  71 -10.233  13.700 -17.164
  578    HB3  LEU  71           HB3      LEU  71 -11.700  13.708 -18.149
  579    HG   LEU  71           HG       LEU  71 -11.016  15.663 -16.492
  580   HD11  LEU  71          HD11      LEU  71 -12.781  15.758 -18.152
  581   HD12  LEU  71          HD12      LEU  71 -13.827  14.701 -17.214
  582   HD13  LEU  71          HD13      LEU  71 -13.414  16.346 -16.602
  583   HD21  LEU  71          HD21      LEU  71 -13.059  14.243 -14.769
  584   HD22  LEU  71          HD22      LEU  71 -11.310  14.206 -14.415
  585   HD23  LEU  71          HD23      LEU  71 -12.179  15.747 -14.466
  586    H    ARG  72           H        ARG  72 -13.696  12.033 -15.060
  587    HA   ARG  72           HA       ARG  72 -15.553  11.470 -17.291
  588    HB2  ARG  72           HB2      ARG  72 -16.433   9.640 -16.253
  589    HB3  ARG  72           HB3      ARG  72 -14.755   9.531 -15.779
  590    HG2  ARG  72           HG2      ARG  72 -15.425   9.319 -13.622
  591    HG3  ARG  72           HG3      ARG  72 -16.017  10.981 -13.649
  592    HD2  ARG  72           HD2      ARG  72 -18.169  10.138 -14.649
  593    HD3  ARG  72           HD3      ARG  72 -17.565   8.480 -14.482
  594    HE   ARG  72           HE       ARG  72 -17.483   9.817 -11.936
  595   HH11  ARG  72          HH21      ARG  72 -19.839   8.464 -14.260
  596   HH12  ARG  72          HH22      ARG  72 -21.017   8.101 -13.055
  597   HH21  ARG  72          HH11      ARG  72 -19.136   9.397 -10.325
  598   HH22  ARG  72          HH12      ARG  72 -20.594   8.616 -10.805
  599    H    LEU  73           H        LEU  73 -14.978  14.012 -15.921
  600    HA   LEU  73           HA       LEU  73 -16.119  15.922 -15.495
  601    HB2  LEU  73           HB2      LEU  73 -18.498  14.403 -16.658
  602    HB3  LEU  73           HB3      LEU  73 -18.390  16.121 -16.469
  603    HG   LEU  73           HG       LEU  73 -18.033  15.644 -18.724
  604   HD11  LEU  73          HD11      LEU  73 -15.397  16.434 -17.552
  605   HD12  LEU  73          HD12      LEU  73 -15.996  16.796 -19.174
  606   HD13  LEU  73          HD13      LEU  73 -16.804  17.461 -17.762
  607   HD21  LEU  73          HD21      LEU  73 -16.678  14.060 -19.721
  608   HD22  LEU  73          HD22      LEU  73 -15.626  13.871 -18.315
  609   HD23  LEU  73          HD23      LEU  73 -17.271  13.195 -18.339
  610    H    ARG  74           H        ARG  74 -17.933  13.211 -13.994
  611    HA   ARG  74           HA       ARG  74 -19.878  14.905 -12.763
  612    HB2  ARG  74           HB2      ARG  74 -18.952  12.163 -11.803
  613    HB3  ARG  74           HB3      ARG  74 -20.479  12.950 -11.428
  614    HG2  ARG  74           HG2      ARG  74 -19.607  11.699 -14.030
  615    HG3  ARG  74           HG3      ARG  74 -21.012  11.328 -13.051
  616    HD2  ARG  74           HD2      ARG  74 -20.599  13.793 -14.797
  617    HD3  ARG  74           HD3      ARG  74 -21.621  12.396 -15.153
  618    HE   ARG  74           HE       ARG  74 -22.468  13.456 -12.677
  619   HH11  ARG  74          HH21      ARG  74 -22.566  14.191 -16.177
  620   HH12  ARG  74          HH22      ARG  74 -23.914  15.267 -16.038
  621   HH21  ARG  74          HH11      ARG  74 -24.308  14.853 -12.528
  622   HH22  ARG  74          HH12      ARG  74 -24.954  15.604 -13.943
  623    H    GLY  75           H        GLY  75 -20.221  14.996 -10.303
  624    HA2  GLY  75           HA2      GLY  75 -17.885  15.066  -8.607
  625    HA3  GLY  75           HA3      GLY  75 -18.400  16.692  -9.106
  626    H    GLY  76           H        GLY  76 -20.309  13.720  -8.395
  627    HA2  GLY  76           HA2      GLY  76 -21.398  14.398  -5.913
  628    HA3  GLY  76           HA3      GLY  76 -22.445  15.143  -7.136
  629    H1   GLY  -3           H1       GLY  -3 -13.256  27.721 -21.203
  630    H2   GLY  -3           H2       GLY  -3 -11.724  27.158 -21.049
  631    H3   GLY  -3           H3       GLY  -3 -12.624  27.464 -19.714
  632    HA2  GLY  -3           HA2      GLY  -3 -14.176  25.704 -20.285
  633    HA3  GLY  -3           HA3      GLY  -3 -13.208  25.380 -21.729
  634    H    HIS  -2           H        HIS  -2 -13.863  23.655 -19.336
  635    HA   HIS  -2           HA       HIS  -2 -11.091  22.993 -18.419
  636    HB2  HIS  -2           HB2      HIS  -2 -13.614  23.099 -16.719
  637    HB3  HIS  -2           HB3      HIS  -2 -11.990  22.691 -16.164
  638    HD2  HIS  -2           HD2      HIS  -2 -14.306  25.590 -16.462
  639    HE1  HIS  -2           HE1      HIS  -2 -10.456  27.380 -16.021
  640    H    MET  -1           H        MET  -1 -12.953  21.793 -20.513
  641    HA   MET  -1           HA       MET  -1 -13.087  19.005 -19.437
  642    HB2  MET  -1           HB2      MET  -1 -15.117  20.433 -21.226
  643    HB3  MET  -1           HB3      MET  -1 -15.056  18.694 -20.942
  644    HG2  MET  -1           HG2      MET  -1 -16.665  19.431 -19.415
  645    HG3  MET  -1           HG3      MET  -1 -15.216  19.195 -18.442
  646    HE1  MET  -1           HE1      MET  -1 -16.939  20.490 -16.659
  647    HE2  MET  -1           HE2      MET  -1 -15.180  20.632 -16.410
  648    HE3  MET  -1           HE3      MET  -1 -16.225  22.058 -16.253
  649    H    PHE 679           H        PHE 679 -12.265  17.441 -20.815
  650    HA   PHE 679           HA       PHE 679 -10.614  16.717 -22.143
  651    HB2  PHE 679           HB2      PHE 679 -12.386  16.562 -23.656
  652    HB3  PHE 679           HB3      PHE 679 -12.183  18.232 -24.216
  653    HD1  PHE 679           HD2      PHE 679 -10.536  14.895 -24.041
  654    HD2  PHE 679           HD1      PHE 679 -10.709  18.674 -26.066
  655    HE1  PHE 679           HE2      PHE 679  -9.171  13.948 -25.913
  656    HE2  PHE 679           HE1      PHE 679  -9.308  17.767 -27.908
  657    HZ   PHE 679           HZ       PHE 679  -8.551  15.393 -27.837
  658    HA   PRO 680           HA       PRO 680  -8.100  20.643 -21.731
  659    HB2  PRO 680           HB2      PRO 680  -6.925  20.243 -19.323
  660    HB3  PRO 680           HB3      PRO 680  -8.633  20.762 -19.407
  661    HG2  PRO 680           HG2      PRO 680  -7.631  17.888 -19.234
  662    HG3  PRO 680           HG3      PRO 680  -8.720  18.721 -18.063
  663    HD2  PRO 680           HD2      PRO 680  -9.682  17.225 -20.072
  664    HD3  PRO 680           HD3      PRO 680 -10.444  18.786 -19.641
  665    H    SER 681           H        SER 681  -5.559  20.451 -21.071
  666    HA   SER 681           HA       SER 681  -4.144  18.609 -22.630
  667    HB2  SER 681           HB2      SER 681  -3.132  20.105 -20.188
  668    HB3  SER 681           HB3      SER 681  -2.222  19.625 -21.628
  669    HG   SER 681           HG       SER 681  -2.823  21.855 -21.672
  670    H    ASP 682           H        ASP 682  -5.995  17.352 -20.438
  671    HA   ASP 682           HA       ASP 682  -4.078  15.457 -19.163
  672    HB2  ASP 682           HB2      ASP 682  -5.857  16.512 -17.760
  673    HB3  ASP 682           HB3      ASP 682  -7.057  15.712 -18.814
  674    H    ILE 683           H        ILE 683  -5.726  15.863 -22.064
  675    HA   ILE 683           HA       ILE 683  -5.998  12.930 -22.373
  676    HB   ILE 683           HB       ILE 683  -7.936  14.699 -23.750
  677   HG12  ILE 683          HG12      ILE 683  -8.214  15.553 -21.382
  678   HG13  ILE 683          HG13      ILE 683  -9.610  14.745 -22.058
  679   HG21  ILE 683          HG21      ILE 683  -7.721  12.240 -24.079
  680   HG22  ILE 683          HG22      ILE 683  -8.307  12.082 -22.405
  681   HG23  ILE 683          HG23      ILE 683  -9.323  12.849 -23.628
  682   HD11  ILE 683          HD11      ILE 683  -9.198  14.324 -19.664
  683   HD12  ILE 683          HD12      ILE 683  -9.488  12.917 -20.679
  684   HD13  ILE 683          HD13      ILE 683  -7.837  13.279 -20.136
  685    H    ASP 684           H        ASP 684  -5.396  12.139 -24.363
  686    HA   ASP 684           HA       ASP 684  -4.634  13.893 -26.601
  687    HB2  ASP 684           HB2      ASP 684  -2.595  13.728 -25.257
  688    HB3  ASP 684           HB3      ASP 684  -2.752  11.968 -25.163
  689    HA   PRO 685           HA       PRO 685  -6.726  10.616 -28.779
  690    HB2  PRO 685           HB2      PRO 685  -4.476  10.980 -30.762
  691    HB3  PRO 685           HB3      PRO 685  -6.232  10.731 -31.071
  692    HG2  PRO 685           HG2      PRO 685  -5.212  13.230 -31.129
  693    HG3  PRO 685           HG3      PRO 685  -6.756  12.923 -30.267
  694    HD2  PRO 685           HD2      PRO 685  -3.993  13.267 -29.116
  695    HD3  PRO 685           HD3      PRO 685  -5.562  13.878 -28.508
  696    H    GLN 686           H        GLN 686  -3.146  10.161 -28.337
  697    HA   GLN 686           HA       GLN 686  -3.126   7.516 -29.417
  698    HB2  GLN 686           HB2      GLN 686  -1.276   8.875 -27.410
  699    HB3  GLN 686           HB3      GLN 686  -0.928   7.330 -28.188
  700    HG2  GLN 686           HG2      GLN 686  -0.749   8.307 -30.353
  701    HG3  GLN 686           HG3      GLN 686  -1.522   9.813 -29.858
  702   HE21  GLN 686          HE22      GLN 686  -0.393  11.151 -28.197
  703   HE22  GLN 686          HE21      GLN 686   1.373  11.213 -28.250
  704    H    VAL 687           H        VAL 687  -3.205   8.605 -25.972
  705    HA   VAL 687           HA       VAL 687  -3.479   5.912 -24.934
  706    HB   VAL 687           HB       VAL 687  -4.362   8.481 -23.591
  707   HG11  VAL 687          HG11      VAL 687  -3.621   7.267 -21.525
  708   HG12  VAL 687          HG12      VAL 687  -4.914   6.439 -22.419
  709   HG13  VAL 687          HG13      VAL 687  -3.256   5.843 -22.543
  710   HG21  VAL 687          HG21      VAL 687  -2.019   8.578 -22.644
  711   HG22  VAL 687          HG22      VAL 687  -1.522   7.514 -23.991
  712   HG23  VAL 687          HG23      VAL 687  -2.215   9.128 -24.305
  713    H    PHE 688           H        PHE 688  -5.688   8.583 -25.685
  714    HA   PHE 688           HA       PHE 688  -8.099   7.536 -24.753
  715    HB2  PHE 688           HB2      PHE 688  -7.495   9.757 -25.139
  716    HB3  PHE 688           HB3      PHE 688  -7.334   9.501 -26.880
  717    HD1  PHE 688           HD2      PHE 688 -10.138   8.865 -24.383
  718    HD2  PHE 688           HD1      PHE 688  -8.972  10.326 -28.266
  719    HE1  PHE 688           HE2      PHE 688 -12.519   9.354 -24.923
  720    HE2  PHE 688           HE1      PHE 688 -11.339  10.830 -28.781
  721    HZ   PHE 688           HZ       PHE 688 -13.114  10.343 -27.110
  722    H    TYR 689           H        TYR 689  -6.204   6.670 -27.639
  723    HA   TYR 689           HA       TYR 689  -8.412   5.149 -28.825
  724    HB2  TYR 689           HB2      TYR 689  -6.683   6.502 -30.119
  725    HB3  TYR 689           HB3      TYR 689  -5.495   5.285 -29.670
  726    HD1  TYR 689           HD1      TYR 689  -8.521   6.063 -31.640
  727    HD2  TYR 689           HD2      TYR 689  -5.573   3.044 -30.738
  728    HE1  TYR 689           HE1      TYR 689  -9.293   4.733 -33.590
  729    HE2  TYR 689           HE2      TYR 689  -6.333   1.713 -32.682
  730    HH   TYR 689           HH       TYR 689  -7.818   1.577 -34.492
  731    H    GLU 690           H        GLU 690  -5.464   4.566 -26.886
  732    HA   GLU 690           HA       GLU 690  -5.391   1.688 -26.949
  733    HB2  GLU 690           HB2      GLU 690  -3.726   3.445 -25.953
  734    HB3  GLU 690           HB3      GLU 690  -4.792   3.382 -24.547
  735    HG2  GLU 690           HG2      GLU 690  -2.910   1.894 -24.236
  736    HG3  GLU 690           HG3      GLU 690  -4.388   0.947 -24.347
  737    H    LEU 691           H        LEU 691  -7.386   4.004 -25.433
  738    HA   LEU 691           HA       LEU 691  -8.567   2.661 -23.333
  739    HB2  LEU 691           HB2      LEU 691  -8.534   5.177 -24.514
  740    HB3  LEU 691           HB3      LEU 691 -10.160   4.670 -24.914
  741    HG   LEU 691           HG       LEU 691 -10.672   4.515 -22.547
  742   HD11  LEU 691          HD11      LEU 691  -8.580   3.739 -21.531
  743   HD12  LEU 691          HD12      LEU 691  -7.726   5.145 -22.200
  744   HD13  LEU 691          HD13      LEU 691  -8.910   5.335 -20.876
  745   HD21  LEU 691          HD21      LEU 691  -9.234   7.085 -23.049
  746   HD22  LEU 691          HD22      LEU 691 -10.807   6.662 -23.758
  747   HD23  LEU 691          HD23      LEU 691 -10.664   6.788 -22.017
  748    HA   PRO 692           HA       PRO 692 -11.856   0.095 -25.162
  749    HB2  PRO 692           HB2      PRO 692 -13.882   0.378 -23.316
  750    HB3  PRO 692           HB3      PRO 692 -12.423  -0.596 -23.006
  751    HG2  PRO 692           HG2      PRO 692 -12.845   2.351 -22.283
  752    HG3  PRO 692           HG3      PRO 692 -12.403   1.002 -21.164
  753    HD2  PRO 692           HD2      PRO 692 -10.491   2.518 -22.176
  754    HD3  PRO 692           HD3      PRO 692 -10.271   0.760 -22.257
  755    H    GLU 693           H        GLU 693 -13.974   0.356 -26.198
  756    HA   GLU 693           HA       GLU 693 -14.345   2.974 -27.324
  757    HB2  GLU 693           HB2      GLU 693 -14.721   0.837 -28.500
  758    HB3  GLU 693           HB3      GLU 693 -16.066   0.455 -27.419
  759    HG2  GLU 693           HG2      GLU 693 -17.326   2.400 -28.276
  760    HG3  GLU 693           HG3      GLU 693 -15.950   2.862 -29.287
  761    H    ALA 694           H        ALA 694 -16.306   1.054 -24.968
  762    HA   ALA 694           HA       ALA 694 -18.473   2.825 -24.926
  763    HB1  ALA 694           HB1      ALA 694 -17.510   0.941 -22.721
  764    HB2  ALA 694           HB2      ALA 694 -19.138   1.638 -22.858
  765    HB3  ALA 694           HB3      ALA 694 -18.560   0.507 -24.091
  766    H    VAL 695           H        VAL 695 -15.592   2.794 -22.749
  767    HA   VAL 695           HA       VAL 695 -16.680   4.948 -21.168
  768    HB   VAL 695           HB       VAL 695 -13.706   4.354 -21.275
  769   HG11  VAL 695          HG11      VAL 695 -14.283   6.281 -19.941
  770   HG12  VAL 695          HG12      VAL 695 -15.681   5.462 -19.222
  771   HG13  VAL 695          HG13      VAL 695 -14.066   4.960 -18.772
  772   HG21  VAL 695          HG21      VAL 695 -13.943   2.672 -19.536
  773   HG22  VAL 695          HG22      VAL 695 -15.725   2.828 -19.569
  774   HG23  VAL 695          HG23      VAL 695 -14.841   2.130 -20.943
  775    H    GLN 696           H        GLN 696 -14.691   4.863 -24.173
  776    HA   GLN 696           HA       GLN 696 -14.028   7.644 -24.119
  777    HB2  GLN 696           HB2      GLN 696 -14.555   5.770 -26.484
  778    HB3  GLN 696           HB3      GLN 696 -14.018   7.431 -26.666
  779    HG2  GLN 696           HG2      GLN 696 -11.908   6.982 -25.650
  780    HG3  GLN 696           HG3      GLN 696 -12.403   5.401 -25.114
  781   HE21  GLN 696          HE22      GLN 696 -11.856   3.707 -26.537
  782   HE22  GLN 696          HE21      GLN 696 -11.460   3.896 -28.231
  783    H    LYS 697           H        LYS 697 -16.934   5.860 -25.345
  784    HA   LYS 697           HA       LYS 697 -18.315   8.137 -26.409
  785    HB2  LYS 697           HB2      LYS 697 -19.304   5.493 -25.294
  786    HB3  LYS 697           HB3      LYS 697 -20.422   6.803 -25.579
  787    HG2  LYS 697           HG2      LYS 697 -20.604   5.515 -27.455
  788    HG3  LYS 697           HG3      LYS 697 -19.684   6.919 -27.979
  789    HD2  LYS 697           HD2      LYS 697 -18.302   4.346 -27.156
  790    HD3  LYS 697           HD3      LYS 697 -19.048   4.444 -28.724
  791    HE2  LYS 697           HE2      LYS 697 -17.007   6.533 -27.862
  792    HE3  LYS 697           HE3      LYS 697 -16.511   4.973 -28.509
  793    HZ1  LYS 697           HZ1      LYS 697 -17.747   5.446 -30.549
  794    HZ2  LYS 697           HZ2      LYS 697 -18.259   6.891 -29.979
  795    HZ3  LYS 697           HZ3      LYS 697 -16.674   6.633 -30.283
  796    H    GLU 698           H        GLU 698 -18.223   6.881 -23.050
  797    HA   GLU 698           HA       GLU 698 -20.086   8.785 -22.013
  798    HB2  GLU 698           HB2      GLU 698 -18.538   6.784 -20.787
  799    HB3  GLU 698           HB3      GLU 698 -17.798   8.263 -20.133
  800    HG2  GLU 698           HG2      GLU 698 -20.033   9.113 -19.491
  801    HG3  GLU 698           HG3      GLU 698 -20.808   7.681 -20.170
  802    H    LEU 699           H        LEU 699 -16.583   8.839 -22.258
  803    HA   LEU 699           HA       LEU 699 -16.062  11.334 -21.055
  804    HB2  LEU 699           HB2      LEU 699 -14.705   9.434 -22.944
  805    HB3  LEU 699           HB3      LEU 699 -14.013  11.015 -22.817
  806    HG   LEU 699           HG       LEU 699 -13.278  10.730 -20.662
  807   HD11  LEU 699          HD11      LEU 699 -15.316  10.207 -19.458
  808   HD12  LEU 699          HD12      LEU 699 -15.351   8.561 -20.153
  809   HD13  LEU 699          HD13      LEU 699 -14.079   9.056 -19.024
  810   HD21  LEU 699          HD21      LEU 699 -12.280   8.423 -20.602
  811   HD22  LEU 699          HD22      LEU 699 -13.373   7.926 -21.862
  812   HD23  LEU 699          HD23      LEU 699 -12.154   9.191 -22.195
  813    H    LEU 700           H        LEU 700 -16.162  10.670 -24.603
  814    HA   LEU 700           HA       LEU 700 -15.828  13.412 -25.208
  815    HB2  LEU 700           HB2      LEU 700 -16.452  12.885 -27.497
  816    HB3  LEU 700           HB3      LEU 700 -15.258  11.788 -26.815
  817    HG   LEU 700           HG       LEU 700 -17.595  10.452 -26.248
  818   HD11  LEU 700          HD11      LEU 700 -18.040  11.677 -28.992
  819   HD12  LEU 700          HD12      LEU 700 -19.022  10.410 -28.213
  820   HD13  LEU 700          HD13      LEU 700 -18.990  12.041 -27.540
  821   HD21  LEU 700          HD21      LEU 700 -15.536   9.523 -27.248
  822   HD22  LEU 700          HD22      LEU 700 -16.987   8.940 -28.075
  823   HD23  LEU 700          HD23      LEU 700 -15.976  10.212 -28.821
  824    H    ALA 701           H        ALA 701 -18.848  11.557 -24.697
  825    HA   ALA 701           HA       ALA 701 -20.527  13.676 -25.697
  826    HB1  ALA 701           HB1      ALA 701 -21.141  11.330 -23.849
  827    HB2  ALA 701           HB2      ALA 701 -22.340  12.339 -24.698
  828    HB3  ALA 701           HB3      ALA 701 -21.216  11.322 -25.630
  829    H    GLU 702           H        GLU 702 -19.679  12.595 -22.331
  830    HA   GLU 702           HA       GLU 702 -20.971  14.813 -21.071
  831    HB2  GLU 702           HB2      GLU 702 -18.608  13.084 -20.215
  832    HB3  GLU 702           HB3      GLU 702 -19.405  14.265 -19.182
  833    HG2  GLU 702           HG2      GLU 702 -20.825  11.882 -20.261
  834    HG3  GLU 702           HG3      GLU 702 -19.997  12.015 -18.690
  835    H    TRP 703           H        TRP 703 -17.631  14.457 -22.422
  836    HA   TRP 703           HA       TRP 703 -16.707  16.760 -21.153
  837    HB2  TRP 703           HB2      TRP 703 -15.884  15.613 -23.863
  838    HB3  TRP 703           HB3      TRP 703 -15.018  16.920 -23.091
  839    HD1  TRP 703           HD1      TRP 703 -14.931  15.184 -20.125
  840    HE1  TRP 703           HE1      TRP 703 -13.348  13.216 -19.940
  841    HE3  TRP 703           HE3      TRP 703 -13.857  14.505 -25.086
  842    HZ2  TRP 703           HZ2      TRP 703 -11.368  11.890 -21.625
  843    HZ3  TRP 703           HZ3      TRP 703 -12.214  12.777 -25.751
  844    HH2  TRP 703           HH2      TRP 703 -10.981  11.485 -24.030
  845    H    LYS 704           H        LYS 704 -18.270  16.431 -24.396
  846    HA   LYS 704           HA       LYS 704 -18.185  19.313 -24.790
  847    HB2  LYS 704           HB2      LYS 704 -19.223  18.953 -26.879
  848    HB3  LYS 704           HB3      LYS 704 -18.023  17.683 -26.638
  849    HG2  LYS 704           HG2      LYS 704 -19.873  16.129 -25.968
  850    HG3  LYS 704           HG3      LYS 704 -21.051  17.394 -26.345
  851    HD2  LYS 704           HD2      LYS 704 -20.352  17.443 -28.667
  852    HD3  LYS 704           HD3      LYS 704 -19.014  16.312 -28.340
  853    HE2  LYS 704           HE2      LYS 704 -20.532  14.540 -27.735
  854    HE3  LYS 704           HE3      LYS 704 -21.937  15.625 -27.817
  855    HZ1  LYS 704           HZ1      LYS 704 -21.562  15.831 -30.215
  856    HZ2  LYS 704           HZ2      LYS 704 -20.258  14.845 -30.154
  857    HZ3  LYS 704           HZ3      LYS 704 -21.750  14.258 -29.828
  858    H    ARG 705           H        ARG 705 -20.550  17.143 -23.288
  859    HA   ARG 705           HA       ARG 705 -22.801  19.002 -23.552
  860    HB2  ARG 705           HB2      ARG 705 -22.167  16.561 -21.815
  861    HB3  ARG 705           HB3      ARG 705 -23.578  17.555 -21.473
  862    HG2  ARG 705           HG2      ARG 705 -23.055  16.133 -24.108
  863    HG3  ARG 705           HG3      ARG 705 -24.088  15.554 -22.792
  864    HD2  ARG 705           HD2      ARG 705 -25.497  17.658 -23.090
  865    HD3  ARG 705           HD3      ARG 705 -24.514  18.039 -24.503
  866    HE   ARG 705           HE       ARG 705 -25.491  16.358 -25.724
  867   HH11  ARG 705          HH11      ARG 705 -26.674  16.108 -22.370
  868   HH12  ARG 705          HH12      ARG 705 -27.963  15.030 -22.768
  869   HH21  ARG 705          HH21      ARG 705 -27.212  14.923 -26.233
  870   HH22  ARG 705          HH22      ARG 705 -28.265  14.337 -25.002
  871    H    THR 706           H        THR 706 -20.362  18.176 -21.130
  872    HA   THR 706           HA       THR 706 -21.493  19.886 -19.149
  873    HB   THR 706           HB       THR 706 -18.805  18.437 -19.240
  874    HG1  THR 706           HG1      THR 706 -20.269  16.898 -19.529
  875   HG21  THR 706          HG21      THR 706 -19.031  19.967 -17.330
  876   HG22  THR 706          HG22      THR 706 -20.557  19.148 -16.876
  877   HG23  THR 706          HG23      THR 706 -19.013  18.255 -16.852
  878    H    GLY 707           H        GLY 707 -18.873  20.058 -21.532
  879    HA2  GLY 707           HA2      GLY 707 -17.351  22.239 -20.848
  880    HA3  GLY 707           HA3      GLY 707 -17.806  21.754 -22.489
  Start of MODEL   13
    1    H1   MET   1           H1       MET   1   3.373  -1.349  -2.983
    2    H2   MET   1           H2       MET   1   4.552  -2.456  -2.666
    3    H3   MET   1           H3       MET   1   4.891  -0.846  -2.674
    4    HA   MET   1           HA       MET   1   5.771  -1.824  -4.654
    5    HB2  MET   1           HB2      MET   1   4.449  -2.870  -6.305
    6    HB3  MET   1           HB3      MET   1   4.159  -3.734  -4.796
    7    HG2  MET   1           HG2      MET   1   1.950  -2.407  -4.678
    8    HG3  MET   1           HG3      MET   1   2.317  -1.847  -6.325
    9    HE1  MET   1           HE1      MET   1  -0.407  -3.043  -6.348
   10    HE2  MET   1           HE2      MET   1   0.476  -2.900  -7.894
   11    HE3  MET   1           HE3      MET   1  -0.337  -4.421  -7.459
   12    H    GLN   2           H        GLN   2   5.103  -0.962  -7.115
   13    HA   GLN   2           HA       GLN   2   3.722   1.638  -6.818
   14    HB2  GLN   2           HB2      GLN   2   5.409   2.767  -7.909
   15    HB3  GLN   2           HB3      GLN   2   6.312   1.707  -6.845
   16    HG2  GLN   2           HG2      GLN   2   5.868   1.246  -9.842
   17    HG3  GLN   2           HG3      GLN   2   7.270   1.997  -9.122
   18   HE21  GLN   2          HE22      GLN   2   8.992   0.563  -9.406
   19   HE22  GLN   2          HE21      GLN   2   8.904  -1.137  -9.026
   20    H    ILE   3           H        ILE   3   2.737   2.419  -8.793
   21    HA   ILE   3           HA       ILE   3   2.691   0.535 -11.143
   22    HB   ILE   3           HB       ILE   3   0.231   0.820 -11.320
   23   HG12  ILE   3          HG12      ILE   3   0.185   1.595  -8.380
   24   HG13  ILE   3          HG13      ILE   3   0.289   2.813  -9.621
   25   HG21  ILE   3          HG21      ILE   3   1.088  -0.738  -8.815
   26   HG22  ILE   3          HG22      ILE   3  -0.318  -1.054  -9.861
   27   HG23  ILE   3          HG23      ILE   3   1.318  -1.276 -10.487
   28   HD11  ILE   3          HD11      ILE   3  -1.954   0.805  -9.441
   29   HD12  ILE   3          HD12      ILE   3  -1.990   2.541  -8.998
   30   HD13  ILE   3          HD13      ILE   3  -1.734   2.061 -10.688
   31    H    PHE   4           H        PHE   4   1.913   1.518 -13.023
   32    HA   PHE   4           HA       PHE   4   2.663   4.401 -13.071
   33    HB2  PHE   4           HB2      PHE   4   2.766   2.550 -15.448
   34    HB3  PHE   4           HB3      PHE   4   3.644   4.037 -15.098
   35    HD1  PHE   4           HD2      PHE   4   5.025   3.816 -12.755
   36    HD2  PHE   4           HD1      PHE   4   4.100   0.608 -15.454
   37    HE1  PHE   4           HE2      PHE   4   6.883   2.481 -11.804
   38    HE2  PHE   4           HE1      PHE   4   6.108  -0.620 -14.647
   39    HZ   PHE   4           HZ       PHE   4   7.499   0.298 -12.828
   40    H    VAL   5           H        VAL   5   0.688   5.491 -12.984
   41    HA   VAL   5           HA       VAL   5  -1.561   4.428 -14.632
   42    HB   VAL   5           HB       VAL   5  -1.525   6.753 -12.703
   43   HG11  VAL   5          HG11      VAL   5  -3.221   7.008 -14.428
   44   HG12  VAL   5          HG12      VAL   5  -3.820   5.361 -14.175
   45   HG13  VAL   5          HG13      VAL   5  -3.986   6.572 -12.881
   46   HG21  VAL   5          HG21      VAL   5  -2.674   3.954 -12.363
   47   HG22  VAL   5          HG22      VAL   5  -1.161   4.473 -11.658
   48   HG23  VAL   5          HG23      VAL   5  -2.688   5.259 -11.193
   49    H    LYS   6           H        LYS   6  -1.213   4.823 -16.769
   50    HA   LYS   6           HA       LYS   6   0.052   7.271 -17.727
   51    HB2  LYS   6           HB2      LYS   6  -0.148   4.923 -18.913
   52    HB3  LYS   6           HB3      LYS   6  -1.771   5.482 -19.352
   53    HG2  LYS   6           HG2      LYS   6  -0.498   7.686 -20.157
   54    HG3  LYS   6           HG3      LYS   6   0.944   6.678 -20.034
   55    HD2  LYS   6           HD2      LYS   6  -0.587   4.990 -21.467
   56    HD3  LYS   6           HD3      LYS   6  -1.446   6.495 -21.877
   57    HE2  LYS   6           HE2      LYS   6   0.145   6.135 -23.615
   58    HE3  LYS   6           HE3      LYS   6   0.750   7.483 -22.640
   59    HZ1  LYS   6           HZ1      LYS   6   1.727   4.658 -22.486
   60    HZ2  LYS   6           HZ2      LYS   6   2.491   5.875 -23.250
   61    HZ3  LYS   6           HZ3      LYS   6   2.358   5.913 -21.631
   62    H    THR   7           H        THR   7  -1.016   9.250 -17.869
   63    HA   THR   7           HA       THR   7  -3.927   9.199 -17.593
   64    HB   THR   7           HB       THR   7  -3.819  11.528 -17.758
   65    HG1  THR   7           HG1      THR   7  -1.535  12.426 -17.805
   66   HG21  THR   7          HG21      THR   7  -1.709  10.530 -15.825
   67   HG22  THR   7          HG22      THR   7  -2.598  12.083 -15.718
   68   HG23  THR   7          HG23      THR   7  -3.473  10.557 -15.566
   69    H    LEU   8           H        LEU   8  -5.222  10.410 -19.084
   70    HA   LEU   8           HA       LEU   8  -4.807   9.308 -21.709
   71    HB2  LEU   8           HB2      LEU   8  -6.722  11.459 -20.856
   72    HB3  LEU   8           HB3      LEU   8  -6.584  10.772 -22.486
   73    HG   LEU   8           HG       LEU   8  -7.697   9.541 -20.012
   74   HD11  LEU   8          HD11      LEU   8  -9.542   8.921 -21.523
   75   HD12  LEU   8          HD12      LEU   8  -9.299  10.644 -21.314
   76   HD13  LEU   8          HD13      LEU   8  -8.735   9.857 -22.816
   77   HD21  LEU   8          HD21      LEU   8  -7.796   7.348 -21.313
   78   HD22  LEU   8          HD22      LEU   8  -6.735   8.076 -22.520
   79   HD23  LEU   8          HD23      LEU   8  -6.181   7.789 -20.836
   80    H    THR   9           H        THR   9  -3.316  12.153 -20.286
   81    HA   THR   9           HA       THR   9  -3.103  13.484 -22.826
   82    HB   THR   9           HB       THR   9  -3.124  14.833 -20.932
   83    HG1  THR   9           HG1      THR   9  -1.485  16.195 -21.438
   84   HG21  THR   9          HG21      THR   9  -0.979  15.049 -19.507
   85   HG22  THR   9          HG22      THR   9  -2.184  13.834 -19.120
   86   HG23  THR   9          HG23      THR   9  -0.683  13.370 -19.990
   87    H    GLY  10           H        GLY  10  -1.651  10.728 -21.473
   88    HA2  GLY  10           HA2      GLY  10   0.113   9.448 -22.308
   89    HA3  GLY  10           HA3      GLY  10   0.635  10.813 -23.321
   90    H    LYS  11           H        LYS  11  -0.077  10.891 -19.730
   91    HA   LYS  11           HA       LYS  11   2.894  11.197 -19.302
   92    HB2  LYS  11           HB2      LYS  11   1.883  13.346 -18.950
   93    HB3  LYS  11           HB3      LYS  11   0.607  12.664 -17.947
   94    HG2  LYS  11           HG2      LYS  11   3.457  12.153 -17.132
   95    HG3  LYS  11           HG3      LYS  11   2.838  13.796 -16.932
   96    HD2  LYS  11           HD2      LYS  11   1.711  11.274 -15.654
   97    HD3  LYS  11           HD3      LYS  11   2.702  12.472 -14.853
   98    HE2  LYS  11           HE2      LYS  11  -0.054  13.040 -16.066
   99    HE3  LYS  11           HE3      LYS  11   0.224  12.534 -14.407
  100    HZ1  LYS  11           HZ1      LYS  11   1.553  14.553 -14.067
  101    HZ2  LYS  11           HZ2      LYS  11   1.159  15.099 -15.581
  102    HZ3  LYS  11           HZ3      LYS  11  -0.009  14.832 -14.436
  103    H    THR  12           H        THR  12   3.610   9.429 -18.161
  104    HA   THR  12           HA       THR  12   1.558   7.905 -16.694
  105    HB   THR  12           HB       THR  12   4.382   6.993 -16.902
  106    HG1  THR  12           HG1      THR  12   4.243   6.516 -19.050
  107   HG21  THR  12          HG21      THR  12   2.313   5.773 -15.942
  108   HG22  THR  12          HG22      THR  12   1.743   5.612 -17.638
  109   HG23  THR  12          HG23      THR  12   3.268   4.848 -17.158
  110    H    ILE  13           H        ILE  13   1.099   8.327 -14.737
  111    HA   ILE  13           HA       ILE  13   3.170   9.554 -13.028
  112    HB   ILE  13           HB       ILE  13   1.522  10.921 -12.776
  113   HG12  ILE  13          HG12      ILE  13   1.793   9.412 -10.528
  114   HG13  ILE  13          HG13      ILE  13   0.872  10.897 -10.648
  115   HG21  ILE  13          HG21      ILE  13  -0.156  10.187 -14.245
  116   HG22  ILE  13          HG22      ILE  13  -0.690   8.914 -13.119
  117   HG23  ILE  13          HG23      ILE  13  -0.890  10.648 -12.687
  118   HD11  ILE  13          HD11      ILE  13  -1.216   9.782 -10.631
  119   HD12  ILE  13          HD12      ILE  13  -0.423   8.193 -10.934
  120   HD13  ILE  13          HD13      ILE  13  -0.249   9.040  -9.379
  121    H    THR  14           H        THR  14   4.368   8.142 -12.017
  122    HA   THR  14           HA       THR  14   3.401   5.500 -11.388
  123    HB   THR  14           HB       THR  14   5.846   6.955 -10.416
  124    HG1  THR  14           HG1      THR  14   6.884   6.239 -12.235
  125   HG21  THR  14          HG21      THR  14   6.779   4.499 -10.400
  126   HG22  THR  14          HG22      THR  14   5.579   4.879  -9.150
  127   HG23  THR  14          HG23      THR  14   5.097   3.953 -10.579
  128    H    LEU  15           H        LEU  15   2.676   4.826  -9.313
  129    HA   LEU  15           HA       LEU  15   2.959   6.708  -7.081
  130    HB2  LEU  15           HB2      LEU  15   0.670   6.558  -6.414
  131    HB3  LEU  15           HB3      LEU  15   0.738   7.244  -8.047
  132    HG   LEU  15           HG       LEU  15   0.216   4.292  -7.893
  133   HD11  LEU  15          HD11      LEU  15  -1.893   6.379  -7.228
  134   HD12  LEU  15          HD12      LEU  15  -2.140   4.627  -7.410
  135   HD13  LEU  15          HD13      LEU  15  -1.182   5.228  -6.054
  136   HD21  LEU  15          HD21      LEU  15  -1.302   4.787  -9.589
  137   HD22  LEU  15          HD22      LEU  15  -0.994   6.537  -9.486
  138   HD23  LEU  15          HD23      LEU  15   0.301   5.438 -10.032
  139    H    GLU  16           H        GLU  16   2.473   5.647  -4.999
  140    HA   GLU  16           HA       GLU  16   3.276   2.818  -5.231
  141    HB2  GLU  16           HB2      GLU  16   3.816   4.921  -3.116
  142    HB3  GLU  16           HB3      GLU  16   3.957   3.184  -2.762
  143    HG2  GLU  16           HG2      GLU  16   5.498   2.885  -4.650
  144    HG3  GLU  16           HG3      GLU  16   5.419   4.610  -5.019
  145    H    VAL  17           H        VAL  17   2.154   1.308  -4.448
  146    HA   VAL  17           HA       VAL  17  -0.431   1.685  -3.043
  147    HB   VAL  17           HB       VAL  17  -1.614   0.491  -4.860
  148   HG11  VAL  17          HG11      VAL  17  -1.710   2.197  -6.561
  149   HG12  VAL  17          HG12      VAL  17  -1.565   2.960  -4.965
  150   HG13  VAL  17          HG13      VAL  17  -0.155   2.874  -6.052
  151   HG21  VAL  17          HG21      VAL  17   0.247  -0.844  -5.779
  152   HG22  VAL  17          HG22      VAL  17  -0.531   0.071  -7.046
  153   HG23  VAL  17          HG23      VAL  17   1.032   0.626  -6.410
  154    H    GLU  18           H        GLU  18  -1.406  -0.840  -3.395
  155    HA   GLU  18           HA       GLU  18   0.657  -2.888  -2.935
  156    HB2  GLU  18           HB2      GLU  18  -1.806  -2.361  -1.201
  157    HB3  GLU  18           HB3      GLU  18  -0.930  -3.885  -1.189
  158    HG2  GLU  18           HG2      GLU  18   0.323  -1.205  -0.480
  159    HG3  GLU  18           HG3      GLU  18  -0.410  -2.312   0.675
  160    HA   PRO  19           HA       PRO  19  -2.166  -4.811  -5.877
  161    HB2  PRO  19           HB2      PRO  19  -2.262  -7.279  -4.176
  162    HB3  PRO  19           HB3      PRO  19  -1.873  -7.112  -5.923
  163    HG2  PRO  19           HG2      PRO  19   0.070  -7.559  -4.051
  164    HG3  PRO  19           HG3      PRO  19   0.342  -6.524  -5.481
  165    HD2  PRO  19           HD2      PRO  19  -0.208  -5.688  -2.636
  166    HD3  PRO  19           HD3      PRO  19   0.871  -4.943  -3.855
  167    H    SER  20           H        SER  20  -2.890  -4.991  -2.380
  168    HA   SER  20           HA       SER  20  -5.775  -5.393  -2.915
  169    HB2  SER  20           HB2      SER  20  -4.270  -5.435  -0.268
  170    HB3  SER  20           HB3      SER  20  -5.927  -5.989  -0.571
  171    HG   SER  20           HG       SER  20  -4.383  -7.724  -0.498
  172    H    ASP  21           H        ASP  21  -3.867  -2.816  -3.135
  173    HA   ASP  21           HA       ASP  21  -5.304  -1.099  -1.365
  174    HB2  ASP  21           HB2      ASP  21  -3.023  -0.561  -2.345
  175    HB3  ASP  21           HB3      ASP  21  -3.843  -0.282  -3.897
  176    H    THR  22           H        THR  22  -7.175   0.033  -1.900
  177    HA   THR  22           HA       THR  22  -8.772  -1.192  -3.967
  178    HB   THR  22           HB       THR  22 -10.538   0.481  -3.192
  179    HG1  THR  22           HG1      THR  22 -10.064   1.328  -1.045
  180   HG21  THR  22          HG21      THR  22  -9.432  -1.571  -1.248
  181   HG22  THR  22          HG22      THR  22 -11.062  -0.841  -1.195
  182   HG23  THR  22          HG23      THR  22 -10.593  -1.829  -2.589
  183    H    ILE  23           H        ILE  23  -9.634  -0.303  -5.719
  184    HA   ILE  23           HA       ILE  23  -8.418   1.722  -7.216
  185    HB   ILE  23           HB       ILE  23 -11.339   1.035  -7.063
  186   HG12  ILE  23          HG12      ILE  23 -10.461  -1.016  -7.574
  187   HG13  ILE  23          HG13      ILE  23 -10.721  -0.335  -9.166
  188   HG21  ILE  23          HG21      ILE  23 -11.038   3.095  -8.362
  189   HG22  ILE  23          HG22      ILE  23  -9.777   2.313  -9.337
  190   HG23  ILE  23          HG23      ILE  23 -11.469   1.771  -9.447
  191   HD11  ILE  23          HD11      ILE  23  -8.279   0.244  -9.263
  192   HD12  ILE  23          HD12      ILE  23  -8.090  -0.632  -7.722
  193   HD13  ILE  23          HD13      ILE  23  -8.640  -1.499  -9.164
  194    H    GLU  24           H        GLU  24 -11.055   2.175  -4.739
  195    HA   GLU  24           HA       GLU  24 -11.499   4.916  -5.136
  196    HB2  GLU  24           HB2      GLU  24 -12.790   3.474  -3.604
  197    HB3  GLU  24           HB3      GLU  24 -11.399   3.307  -2.542
  198    HG2  GLU  24           HG2      GLU  24 -11.467   5.702  -2.004
  199    HG3  GLU  24           HG3      GLU  24 -12.773   5.956  -3.164
  200    H    ASN  25           H        ASN  25  -8.972   3.305  -3.177
  201    HA   ASN  25           HA       ASN  25  -7.952   5.865  -2.206
  202    HB2  ASN  25           HB2      ASN  25  -7.883   3.702  -0.897
  203    HB3  ASN  25           HB3      ASN  25  -6.709   3.100  -2.065
  204   HD21  ASN  25          HD22      ASN  25  -4.941   2.940  -0.711
  205   HD22  ASN  25          HD21      ASN  25  -4.271   4.273   0.243
  206    H    VAL  26           H        VAL  26  -7.132   3.582  -4.812
  207    HA   VAL  26           HA       VAL  26  -4.663   4.775  -5.601
  208    HB   VAL  26           HB       VAL  26  -6.848   3.180  -6.938
  209   HG11  VAL  26          HG11      VAL  26  -5.832   4.404  -8.718
  210   HG12  VAL  26          HG12      VAL  26  -4.189   3.996  -8.161
  211   HG13  VAL  26          HG13      VAL  26  -5.255   2.719  -8.794
  212   HG21  VAL  26          HG21      VAL  26  -4.043   2.207  -6.360
  213   HG22  VAL  26          HG22      VAL  26  -5.288   2.160  -5.115
  214   HG23  VAL  26          HG23      VAL  26  -5.549   1.272  -6.604
  215    H    LYS  27           H        LYS  27  -8.071   5.331  -6.863
  216    HA   LYS  27           HA       LYS  27  -7.363   7.518  -8.473
  217    HB2  LYS  27           HB2      LYS  27  -9.936   7.066  -6.832
  218    HB3  LYS  27           HB3      LYS  27  -9.770   8.333  -8.039
  219    HG2  LYS  27           HG2      LYS  27  -9.546   6.668  -9.824
  220    HG3  LYS  27           HG3      LYS  27  -9.716   5.354  -8.644
  221    HD2  LYS  27           HD2      LYS  27 -11.944   6.326  -7.964
  222    HD3  LYS  27           HD3      LYS  27 -11.761   7.561  -9.220
  223    HE2  LYS  27           HE2      LYS  27 -11.718   5.785 -10.947
  224    HE3  LYS  27           HE3      LYS  27 -11.986   4.575  -9.678
  225    HZ1  LYS  27           HZ1      LYS  27 -14.097   5.663  -9.126
  226    HZ2  LYS  27           HZ2      LYS  27 -13.879   6.833 -10.294
  227    HZ3  LYS  27           HZ3      LYS  27 -14.123   5.251 -10.696
  228    H    ALA  28           H        ALA  28  -7.977   7.486  -4.911
  229    HA   ALA  28           HA       ALA  28  -7.933  10.352  -4.642
  230    HB1  ALA  28           HB1      ALA  28  -8.837   8.810  -2.905
  231    HB2  ALA  28           HB2      ALA  28  -7.176   8.236  -2.592
  232    HB3  ALA  28           HB3      ALA  28  -7.603   9.923  -2.270
  233    H    LYS  29           H        LYS  29  -5.336   7.861  -4.703
  234    HA   LYS  29           HA       LYS  29  -3.214   9.750  -4.093
  235    HB2  LYS  29           HB2      LYS  29  -3.215   7.084  -5.537
  236    HB3  LYS  29           HB3      LYS  29  -1.750   8.033  -5.212
  237    HG2  LYS  29           HG2      LYS  29  -2.098   7.924  -2.833
  238    HG3  LYS  29           HG3      LYS  29  -3.713   7.228  -3.038
  239    HD2  LYS  29           HD2      LYS  29  -2.780   5.192  -4.011
  240    HD3  LYS  29           HD3      LYS  29  -1.135   5.856  -3.918
  241    HE2  LYS  29           HE2      LYS  29  -2.723   5.867  -1.382
  242    HE3  LYS  29           HE3      LYS  29  -2.294   4.264  -1.999
  243    HZ1  LYS  29           HZ1      LYS  29   0.049   4.936  -2.021
  244    HZ2  LYS  29           HZ2      LYS  29  -0.326   6.423  -1.400
  245    HZ3  LYS  29           HZ3      LYS  29  -0.569   5.083  -0.509
  246    H    ILE  30           H        ILE  30  -4.896   8.775  -7.105
  247    HA   ILE  30           HA       ILE  30  -3.188  10.369  -8.800
  248    HB   ILE  30           HB       ILE  30  -6.124   9.912  -9.342
  249   HG12  ILE  30          HG12      ILE  30  -5.449   7.717  -9.004
  250   HG13  ILE  30          HG13      ILE  30  -5.381   7.928 -10.734
  251   HG21  ILE  30          HG21      ILE  30  -5.333   9.989 -11.711
  252   HG22  ILE  30          HG22      ILE  30  -5.050  11.495 -10.849
  253   HG23  ILE  30          HG23      ILE  30  -3.696  10.367 -11.134
  254   HD11  ILE  30          HD11      ILE  30  -2.954   7.985 -10.645
  255   HD12  ILE  30          HD12      ILE  30  -2.959   8.073  -8.867
  256   HD13  ILE  30          HD13      ILE  30  -3.593   6.620  -9.646
  257    H    GLN  31           H        GLN  31  -6.090  11.265  -6.964
  258    HA   GLN  31           HA       GLN  31  -6.240  13.968  -7.728
  259    HB2  GLN  31           HB2      GLN  31  -7.891  12.711  -6.276
  260    HB3  GLN  31           HB3      GLN  31  -6.757  12.933  -4.941
  261    HG2  GLN  31           HG2      GLN  31  -7.118  15.541  -5.986
  262    HG3  GLN  31           HG3      GLN  31  -8.720  14.827  -6.014
  263   HE21  GLN  31          HE22      GLN  31  -9.777  14.290  -3.977
  264   HE22  GLN  31          HE21      GLN  31  -9.090  14.795  -2.454
  265    H    ASP  32           H        ASP  32  -4.118  12.328  -5.370
  266    HA   ASP  32           HA       ASP  32  -2.930  14.738  -4.385
  267    HB2  ASP  32           HB2      ASP  32  -2.895  12.613  -3.154
  268    HB3  ASP  32           HB3      ASP  32  -1.835  11.914  -4.369
  269    H    LYS  33           H        LYS  33  -2.210  12.626  -7.241
  270    HA   LYS  33           HA       LYS  33   0.268  14.140  -7.694
  271    HB2  LYS  33           HB2      LYS  33  -0.702  11.695  -9.068
  272    HB3  LYS  33           HB3      LYS  33   0.887  12.504  -9.185
  273    HG2  LYS  33           HG2      LYS  33   0.789  12.293  -6.497
  274    HG3  LYS  33           HG3      LYS  33  -0.332  10.990  -6.860
  275    HD2  LYS  33           HD2      LYS  33   1.851  10.138  -6.450
  276    HD3  LYS  33           HD3      LYS  33   1.436   9.838  -8.142
  277    HE2  LYS  33           HE2      LYS  33   2.883  11.717  -8.857
  278    HE3  LYS  33           HE3      LYS  33   3.189  12.145  -7.170
  279    HZ1  LYS  33           HZ1      LYS  33   5.005  10.837  -8.161
  280    HZ2  LYS  33           HZ2      LYS  33   4.365  10.068  -6.878
  281    HZ3  LYS  33           HZ3      LYS  33   4.015   9.548  -8.398
  282    H    GLU  34           H        GLU  34  -2.899  13.973  -8.995
  283    HA   GLU  34           HA       GLU  34  -2.193  15.650 -11.343
  284    HB2  GLU  34           HB2      GLU  34  -4.465  13.656 -10.840
  285    HB3  GLU  34           HB3      GLU  34  -4.234  14.572 -12.329
  286    HG2  GLU  34           HG2      GLU  34  -2.460  12.400 -11.203
  287    HG3  GLU  34           HG3      GLU  34  -3.328  12.400 -12.737
  288    H    GLY  35           H        GLY  35  -4.483  15.322  -8.646
  289    HA2  GLY  35           HA2      GLY  35  -5.405  17.208  -7.581
  290    HA3  GLY  35           HA3      GLY  35  -5.364  18.123  -9.095
  291    H    ILE  36           H        ILE  36  -6.565  14.923  -9.626
  292    HA   ILE  36           HA       ILE  36  -9.164  16.162 -10.210
  293    HB   ILE  36           HB       ILE  36  -7.932  13.490 -10.922
  294   HG12  ILE  36          HG12      ILE  36  -8.366  16.038 -12.591
  295   HG13  ILE  36          HG13      ILE  36  -6.811  15.559 -11.906
  296   HG21  ILE  36          HG21      ILE  36 -10.447  14.856 -12.019
  297   HG22  ILE  36          HG22      ILE  36  -9.807  13.272 -12.519
  298   HG23  ILE  36          HG23      ILE  36 -10.464  13.475 -10.903
  299   HD11  ILE  36          HD11      ILE  36  -6.818  14.879 -14.171
  300   HD12  ILE  36          HD12      ILE  36  -6.923  13.428 -13.145
  301   HD13  ILE  36          HD13      ILE  36  -8.379  14.047 -13.994
  302    HA   PRO  37           HA       PRO  37 -10.686  14.160  -6.436
  303    HB2  PRO  37           HB2      PRO  37 -13.447  14.671  -7.219
  304    HB3  PRO  37           HB3      PRO  37 -12.460  15.433  -5.927
  305    HG2  PRO  37           HG2      PRO  37 -13.288  16.722  -8.301
  306    HG3  PRO  37           HG3      PRO  37 -11.958  17.233  -7.221
  307    HD2  PRO  37           HD2      PRO  37 -11.779  15.739  -9.826
  308    HD3  PRO  37           HD3      PRO  37 -10.674  16.935  -9.097
  309    HA   PRO  38           HA       PRO  38 -11.456  10.158  -8.151
  310    HB2  PRO  38           HB2      PRO  38 -12.700   8.834  -6.102
  311    HB3  PRO  38           HB3      PRO  38 -10.934   9.166  -6.163
  312    HG2  PRO  38           HG2      PRO  38 -13.065  10.699  -4.663
  313    HG3  PRO  38           HG3      PRO  38 -11.433  10.209  -4.099
  314    HD2  PRO  38           HD2      PRO  38 -11.925  12.714  -5.001
  315    HD3  PRO  38           HD3      PRO  38 -10.383  11.890  -5.385
  316    H    ASP  39           H        ASP  39 -14.217  11.777  -6.637
  317    HA   ASP  39           HA       ASP  39 -16.139  10.017  -7.716
  318    HB2  ASP  39           HB2      ASP  39 -16.544  11.601  -5.846
  319    HB3  ASP  39           HB3      ASP  39 -16.351  12.963  -6.939
  320    H    GLN  40           H        GLN  40 -14.227  12.343  -9.256
  321    HA   GLN  40           HA       GLN  40 -16.023  12.588 -11.648
  322    HB2  GLN  40           HB2      GLN  40 -15.774  14.695 -10.730
  323    HB3  GLN  40           HB3      GLN  40 -14.130  14.415 -10.168
  324    HG2  GLN  40           HG2      GLN  40 -13.232  14.675 -12.380
  325    HG3  GLN  40           HG3      GLN  40 -14.843  14.833 -13.084
  326   HE21  GLN  40          HE22      GLN  40 -16.150  16.808 -12.394
  327   HE22  GLN  40          HE21      GLN  40 -15.277  18.248 -11.895
  328    H    GLN  41           H        GLN  41 -13.599  10.573 -10.663
  329    HA   GLN  41           HA       GLN  41 -11.887  10.845 -13.083
  330    HB2  GLN  41           HB2      GLN  41 -11.164  11.283 -10.643
  331    HB3  GLN  41           HB3      GLN  41 -11.415   9.568 -10.355
  332    HG2  GLN  41           HG2      GLN  41  -9.719   9.163 -12.230
  333    HG3  GLN  41           HG3      GLN  41  -9.405  10.917 -12.156
  334   HE21  GLN  41          HE22      GLN  41  -9.181  11.577  -9.440
  335   HE22  GLN  41          HE21      GLN  41  -8.111  10.466  -8.633
  336    H    ARG  42           H        ARG  42 -11.608   8.881 -14.354
  337    HA   ARG  42           HA       ARG  42 -12.829   6.417 -13.137
  338    HB2  ARG  42           HB2      ARG  42 -13.423   7.608 -15.700
  339    HB3  ARG  42           HB3      ARG  42 -12.601   6.029 -15.950
  340    HG2  ARG  42           HG2      ARG  42 -14.225   4.808 -15.044
  341    HG3  ARG  42           HG3      ARG  42 -14.798   6.105 -13.944
  342    HD2  ARG  42           HD2      ARG  42 -15.736   7.240 -16.047
  343    HD3  ARG  42           HD3      ARG  42 -15.388   5.761 -16.910
  344    HE   ARG  42           HE       ARG  42 -17.047   5.674 -14.403
  345   HH11  ARG  42          HH11      ARG  42 -16.935   4.656 -17.752
  346   HH12  ARG  42          HH12      ARG  42 -18.656   4.887 -18.059
  347   HH21  ARG  42          HH21      ARG  42 -19.370   5.491 -14.650
  348   HH22  ARG  42          HH22      ARG  42 -20.022   5.047 -16.186
  349    H    LEU  43           H        LEU  43 -11.781   4.414 -13.747
  350    HA   LEU  43           HA       LEU  43  -8.891   4.786 -14.359
  351    HB2  LEU  43           HB2      LEU  43  -9.942   4.258 -11.790
  352    HB3  LEU  43           HB3      LEU  43  -9.606   2.652 -12.429
  353    HG   LEU  43           HG       LEU  43  -7.253   3.316 -12.846
  354   HD11  LEU  43          HD11      LEU  43  -7.433   5.761 -13.142
  355   HD12  LEU  43          HD12      LEU  43  -8.150   5.949 -11.543
  356   HD13  LEU  43          HD13      LEU  43  -6.446   5.456 -11.705
  357   HD21  LEU  43          HD21      LEU  43  -6.627   3.299 -10.486
  358   HD22  LEU  43          HD22      LEU  43  -8.215   3.889  -9.978
  359   HD23  LEU  43          HD23      LEU  43  -8.038   2.252 -10.676
  360    H    ILE  44           H        ILE  44  -8.377   3.540 -15.915
  361    HA   ILE  44           HA       ILE  44  -9.971   1.101 -16.591
  362    HB   ILE  44           HB       ILE  44  -8.648   3.171 -18.435
  363   HG12  ILE  44          HG12      ILE  44 -11.571   2.384 -17.903
  364   HG13  ILE  44          HG13      ILE  44 -10.795   3.838 -17.290
  365   HG21  ILE  44          HG21      ILE  44 -10.296   0.886 -19.519
  366   HG22  ILE  44          HG22      ILE  44  -9.295   2.072 -20.356
  367   HG23  ILE  44          HG23      ILE  44  -8.500   0.822 -19.412
  368   HD11  ILE  44          HD11      ILE  44 -12.056   4.614 -18.934
  369   HD12  ILE  44          HD12      ILE  44 -10.445   4.565 -19.677
  370   HD13  ILE  44          HD13      ILE  44 -11.649   3.313 -20.100
  371    H    PHE  45           H        PHE  45  -8.810  -0.712 -17.294
  372    HA   PHE  45           HA       PHE  45  -5.846  -0.526 -17.196
  373    HB2  PHE  45           HB2      PHE  45  -6.381  -1.312 -14.987
  374    HB3  PHE  45           HB3      PHE  45  -7.626  -2.409 -15.601
  375    HD1  PHE  45           HD1      PHE  45  -3.985  -1.717 -16.187
  376    HD2  PHE  45           HD2      PHE  45  -7.063  -4.684 -15.663
  377    HE1  PHE  45           HE1      PHE  45  -2.258  -3.501 -16.210
  378    HE2  PHE  45           HE2      PHE  45  -5.355  -6.460 -15.627
  379    HZ   PHE  45           HZ       PHE  45  -2.950  -5.902 -15.828
  380    H    ALA  46           H        ALA  46  -5.213  -1.282 -19.086
  381    HA   ALA  46           HA       ALA  46  -5.180  -2.343 -21.073
  382    HB1  ALA  46           HB1      ALA  46  -4.973  -4.800 -20.721
  383    HB2  ALA  46           HB2      ALA  46  -4.225  -3.894 -19.389
  384    HB3  ALA  46           HB3      ALA  46  -5.831  -4.626 -19.171
  385    H    GLY  47           H        GLY  47  -7.601  -1.200 -20.842
  386    HA2  GLY  47           HA2      GLY  47  -9.252  -0.983 -22.430
  387    HA3  GLY  47           HA3      GLY  47  -9.023  -2.661 -22.953
  388    H    LYS  48           H        LYS  48  -9.449  -2.286 -19.510
  389    HA   LYS  48           HA       LYS  48 -12.404  -2.331 -19.731
  390    HB2  LYS  48           HB2      LYS  48 -12.710  -4.168 -18.330
  391    HB3  LYS  48           HB3      LYS  48 -11.404  -4.671 -19.408
  392    HG2  LYS  48           HG2      LYS  48  -9.751  -4.114 -17.588
  393    HG3  LYS  48           HG3      LYS  48 -11.097  -3.652 -16.530
  394    HD2  LYS  48           HD2      LYS  48 -10.368  -5.873 -15.965
  395    HD3  LYS  48           HD3      LYS  48 -11.987  -5.969 -16.675
  396    HE2  LYS  48           HE2      LYS  48 -10.965  -6.659 -18.857
  397    HE3  LYS  48           HE3      LYS  48  -9.353  -6.549 -18.132
  398    HZ1  LYS  48           HZ1      LYS  48 -10.175  -8.822 -18.162
  399    HZ2  LYS  48           HZ2      LYS  48  -9.999  -8.351 -16.612
  400    HZ3  LYS  48           HZ3      LYS  48 -11.493  -8.433 -17.287
  401    H    GLN  49           H        GLN  49 -13.342  -1.873 -17.440
  402    HA   GLN  49           HA       GLN  49 -11.827   0.440 -16.367
  403    HB2  GLN  49           HB2      GLN  49 -13.854   0.885 -17.769
  404    HB3  GLN  49           HB3      GLN  49 -14.812  -0.128 -16.673
  405    HG2  GLN  49           HG2      GLN  49 -14.373   1.473 -14.833
  406    HG3  GLN  49           HG3      GLN  49 -13.454   2.491 -15.957
  407   HE21  GLN  49          HE22      GLN  49 -16.733   1.242 -15.144
  408   HE22  GLN  49          HE21      GLN  49 -17.591   2.358 -16.172
  409    H    LEU  50           H        LEU  50 -11.868   0.725 -14.151
  410    HA   LEU  50           HA       LEU  50 -12.604  -1.730 -12.584
  411    HB2  LEU  50           HB2      LEU  50 -10.685   0.410 -11.657
  412    HB3  LEU  50           HB3      LEU  50 -10.985  -1.196 -11.031
  413    HG   LEU  50           HG       LEU  50  -9.084  -1.751 -11.902
  414   HD11  LEU  50          HD11      LEU  50 -10.094  -1.671 -14.746
  415   HD12  LEU  50          HD12      LEU  50  -9.042  -2.848 -13.925
  416   HD13  LEU  50          HD13      LEU  50 -10.769  -2.824 -13.573
  417   HD21  LEU  50          HD21      LEU  50  -8.444   0.550 -12.328
  418   HD22  LEU  50          HD22      LEU  50  -7.805  -0.539 -13.548
  419   HD23  LEU  50          HD23      LEU  50  -9.215   0.470 -13.937
  420    H    GLU  51           H        GLU  51 -13.341  -1.184 -10.240
  421    HA   GLU  51           HA       GLU  51 -14.609   1.473 -10.122
  422    HB2  GLU  51           HB2      GLU  51 -16.700   0.678  -9.374
  423    HB3  GLU  51           HB3      GLU  51 -16.319  -0.166 -10.873
  424    HG2  GLU  51           HG2      GLU  51 -15.600  -2.149  -9.547
  425    HG3  GLU  51           HG3      GLU  51 -15.993  -1.277  -8.057
  426    H    ASP  52           H        ASP  52 -15.210   2.199  -8.018
  427    HA   ASP  52           HA       ASP  52 -12.915   2.516  -6.542
  428    HB2  ASP  52           HB2      ASP  52 -15.834   3.072  -5.997
  429    HB3  ASP  52           HB3      ASP  52 -14.624   3.405  -4.771
  430    H    GLY  53           H        GLY  53 -15.588   0.278  -5.936
  431    HA2  GLY  53           HA2      GLY  53 -14.714  -0.456  -3.291
  432    HA3  GLY  53           HA3      GLY  53 -16.031  -1.167  -4.251
  433    H    ARG  54           H        ARG  54 -13.009  -1.179  -5.949
  434    HA   ARG  54           HA       ARG  54 -12.543  -4.059  -5.262
  435    HB2  ARG  54           HB2      ARG  54 -12.503  -2.580  -7.909
  436    HB3  ARG  54           HB3      ARG  54 -11.987  -4.278  -7.684
  437    HG2  ARG  54           HG2      ARG  54 -14.727  -3.057  -7.643
  438    HG3  ARG  54           HG3      ARG  54 -14.124  -4.350  -8.664
  439    HD2  ARG  54           HD2      ARG  54 -15.103  -4.437  -5.823
  440    HD3  ARG  54           HD3      ARG  54 -15.696  -5.296  -7.224
  441    HE   ARG  54           HE       ARG  54 -13.581  -6.600  -7.233
  442   HH11  ARG  54          HH21      ARG  54 -14.578  -5.137  -4.103
  443   HH12  ARG  54          HH22      ARG  54 -14.122  -6.520  -3.171
  444   HH21  ARG  54          HH11      ARG  54 -12.846  -8.341  -5.969
  445   HH22  ARG  54          HH12      ARG  54 -13.055  -8.357  -4.238
  446    H    THR  55           H        THR  55 -10.251  -4.638  -6.397
  447    HA   THR  55           HA       THR  55  -8.347  -2.527  -5.483
  448    HB   THR  55           HB       THR  55  -7.074  -4.410  -4.536
  449    HG1  THR  55           HG1      THR  55  -7.812  -6.425  -4.673
  450   HG21  THR  55          HG21      THR  55  -9.841  -4.120  -3.309
  451   HG22  THR  55          HG22      THR  55  -8.424  -4.822  -2.503
  452   HG23  THR  55          HG23      THR  55  -8.388  -3.128  -2.988
  453    H    LEU  56           H        LEU  56  -6.112  -3.159  -6.090
  454    HA   LEU  56           HA       LEU  56  -6.063  -3.372  -8.991
  455    HB2  LEU  56           HB2      LEU  56  -3.721  -3.757  -7.063
  456    HB3  LEU  56           HB3      LEU  56  -3.617  -3.321  -8.746
  457    HG   LEU  56           HG       LEU  56  -4.714  -1.606  -6.500
  458   HD11  LEU  56          HD11      LEU  56  -2.294  -1.759  -6.572
  459   HD12  LEU  56          HD12      LEU  56  -2.273  -1.319  -8.294
  460   HD13  LEU  56          HD13      LEU  56  -2.840  -0.146  -7.065
  461   HD21  LEU  56          HD21      LEU  56  -4.581  -1.124  -9.531
  462   HD22  LEU  56          HD22      LEU  56  -6.029  -1.107  -8.492
  463   HD23  LEU  56          HD23      LEU  56  -4.822   0.171  -8.351
  464    H    SER  57           H        SER  57  -5.356  -5.647  -6.361
  465    HA   SER  57           HA       SER  57  -4.653  -7.895  -7.902
  466    HB2  SER  57           HB2      SER  57  -5.484  -9.096  -5.826
  467    HB3  SER  57           HB3      SER  57  -4.238  -7.845  -5.576
  468    HG   SER  57           HG       SER  57  -6.005  -7.768  -4.045
  469    H    ASP  58           H        ASP  58  -7.903  -6.519  -7.145
  470    HA   ASP  58           HA       ASP  58  -9.372  -8.879  -7.836
  471    HB2  ASP  58           HB2      ASP  58 -10.253  -6.895  -6.573
  472    HB3  ASP  58           HB3      ASP  58 -10.281  -6.012  -8.101
  473    H    TYR  59           H        TYR  59  -7.619  -6.556  -9.644
  474    HA   TYR  59           HA       TYR  59  -8.742  -7.508 -12.233
  475    HB2  TYR  59           HB2      TYR  59  -7.557  -4.849 -11.461
  476    HB3  TYR  59           HB3      TYR  59  -7.947  -5.305 -13.121
  477    HD1  TYR  59           HD2      TYR  59 -10.389  -6.071 -13.599
  478    HD2  TYR  59           HD1      TYR  59  -9.233  -3.873 -10.049
  479    HE1  TYR  59           HE2      TYR  59 -12.735  -5.373 -13.270
  480    HE2  TYR  59           HE1      TYR  59 -11.566  -3.296  -9.666
  481    HH   TYR  59           HH       TYR  59 -14.244  -4.189 -11.899
  482    H    ASN  60           H        ASN  60  -6.419  -8.396 -10.322
  483    HA   ASN  60           HA       ASN  60  -4.645  -9.692 -10.573
  484    HB2  ASN  60           HB2      ASN  60  -4.729 -11.114 -12.246
  485    HB3  ASN  60           HB3      ASN  60  -6.007 -10.142 -12.959
  486   HD21  ASN  60          HD22      ASN  60  -4.981  -8.096 -14.215
  487   HD22  ASN  60          HD21      ASN  60  -3.757  -8.579 -15.394
  488    H    ILE  61           H        ILE  61  -4.528  -6.575 -11.167
  489    HA   ILE  61           HA       ILE  61  -2.018  -6.049 -12.448
  490    HB   ILE  61           HB       ILE  61  -3.747  -4.625 -10.425
  491   HG12  ILE  61          HG12      ILE  61  -3.524  -3.774 -13.312
  492   HG13  ILE  61          HG13      ILE  61  -4.607  -5.093 -12.877
  493   HG21  ILE  61          HG21      ILE  61  -1.476  -3.631 -10.291
  494   HG22  ILE  61          HG22      ILE  61  -1.465  -3.422 -12.056
  495   HG23  ILE  61          HG23      ILE  61  -2.576  -2.492 -11.044
  496   HD11  ILE  61          HD11      ILE  61  -4.708  -2.329 -11.645
  497   HD12  ILE  61          HD12      ILE  61  -5.809  -2.974 -12.888
  498   HD13  ILE  61          HD13      ILE  61  -5.772  -3.672 -11.256
  499    H    GLN  62           H        GLN  62   0.013  -5.854 -11.539
  500    HA   GLN  62           HA       GLN  62   0.411  -6.555  -8.669
  501    HB2  GLN  62           HB2      GLN  62   2.093  -7.405 -11.076
  502    HB3  GLN  62           HB3      GLN  62   2.435  -7.787  -9.387
  503    HG2  GLN  62           HG2      GLN  62   0.339  -9.108  -9.244
  504    HG3  GLN  62           HG3      GLN  62  -0.007  -8.698 -10.927
  505   HE21  GLN  62          HE22      GLN  62   0.304 -10.472 -12.197
  506   HE22  GLN  62          HE21      GLN  62   1.671 -11.558 -12.093
  507    H    LYS  63           H        LYS  63   3.142  -5.978  -8.575
  508    HA   LYS  63           HA       LYS  63   3.358  -3.159  -8.666
  509    HB2  LYS  63           HB2      LYS  63   5.631  -3.551  -8.060
  510    HB3  LYS  63           HB3      LYS  63   4.717  -4.874  -7.309
  511    HG2  LYS  63           HG2      LYS  63   5.411  -6.173  -9.513
  512    HG3  LYS  63           HG3      LYS  63   6.640  -4.888  -9.624
  513    HD2  LYS  63           HD2      LYS  63   7.155  -5.490  -7.122
  514    HD3  LYS  63           HD3      LYS  63   6.239  -6.960  -7.425
  515    HE2  LYS  63           HE2      LYS  63   8.874  -6.062  -8.621
  516    HE3  LYS  63           HE3      LYS  63   8.538  -7.502  -7.664
  517    HZ1  LYS  63           HZ1      LYS  63   7.899  -6.988 -10.494
  518    HZ2  LYS  63           HZ2      LYS  63   8.760  -8.207  -9.871
  519    HZ3  LYS  63           HZ3      LYS  63   7.137  -8.227  -9.665
  520    H    GLU  64           H        GLU  64   4.886  -1.984  -9.859
  521    HA   GLU  64           HA       GLU  64   5.449  -1.006 -11.722
  522    HB2  GLU  64           HB2      GLU  64   7.475  -1.828 -12.579
  523    HB3  GLU  64           HB3      GLU  64   7.347  -2.544 -10.991
  524    HG2  GLU  64           HG2      GLU  64   6.350  -4.603 -12.381
  525    HG3  GLU  64           HG3      GLU  64   7.219  -3.803 -13.703
  526    H    SER  65           H        SER  65   2.975  -1.598 -11.979
  527    HA   SER  65           HA       SER  65   2.589  -2.801 -14.722
  528    HB2  SER  65           HB2      SER  65   0.802  -3.025 -12.277
  529    HB3  SER  65           HB3      SER  65   0.342  -3.516 -13.912
  530    HG   SER  65           HG       SER  65   2.576  -4.561 -12.479
  531    H    THR  66           H        THR  66   0.907  -1.848 -15.957
  532    HA   THR  66           HA       THR  66   0.793   1.034 -15.352
  533    HB   THR  66           HB       THR  66   0.536  -0.360 -18.048
  534    HG1  THR  66           HG1      THR  66   2.691   0.026 -18.300
  535   HG21  THR  66          HG21      THR  66  -0.412   1.947 -18.101
  536   HG22  THR  66          HG22      THR  66   1.121   2.583 -17.467
  537   HG23  THR  66          HG23      THR  66   1.056   1.817 -19.061
  538    H    LEU  67           H        LEU  67  -1.030   2.186 -15.493
  539    HA   LEU  67           HA       LEU  67  -3.665   0.858 -15.899
  540    HB2  LEU  67           HB2      LEU  67  -2.455   1.967 -13.518
  541    HB3  LEU  67           HB3      LEU  67  -3.595   3.174 -14.120
  542    HG   LEU  67           HG       LEU  67  -5.376   1.484 -14.111
  543   HD11  LEU  67          HD11      LEU  67  -5.017  -0.608 -12.899
  544   HD12  LEU  67          HD12      LEU  67  -3.867  -0.560 -14.239
  545   HD13  LEU  67          HD13      LEU  67  -3.289  -0.206 -12.609
  546   HD21  LEU  67          HD21      LEU  67  -5.677   1.493 -11.696
  547   HD22  LEU  67          HD22      LEU  67  -3.944   1.856 -11.445
  548   HD23  LEU  67          HD23      LEU  67  -4.999   3.052 -12.238
  549    H    HIS  68           H        HIS  68  -5.373   2.693 -16.167
  550    HA   HIS  68           HA       HIS  68  -4.242   4.916 -17.868
  551    HB2  HIS  68           HB2      HIS  68  -6.332   2.852 -18.448
  552    HB3  HIS  68           HB3      HIS  68  -6.671   4.490 -18.959
  553    HD2  HIS  68           HD2      HIS  68  -5.764   5.250 -21.177
  554    HE1  HIS  68           HE1      HIS  68  -3.170   2.014 -22.117
  555    H    LEU  69           H        LEU  69  -4.957   7.015 -17.113
  556    HA   LEU  69           HA       LEU  69  -7.214   7.070 -15.136
  557    HB2  LEU  69           HB2      LEU  69  -5.091   8.083 -14.435
  558    HB3  LEU  69           HB3      LEU  69  -4.962   8.954 -15.959
  559    HG   LEU  69           HG       LEU  69  -5.357  10.281 -13.979
  560   HD11  LEU  69          HD11      LEU  69  -5.825  11.126 -16.278
  561   HD12  LEU  69          HD12      LEU  69  -7.548  10.768 -16.010
  562   HD13  LEU  69          HD13      LEU  69  -6.703  11.913 -14.978
  563   HD21  LEU  69          HD21      LEU  69  -7.448  10.469 -12.976
  564   HD22  LEU  69          HD22      LEU  69  -8.239   9.341 -14.114
  565   HD23  LEU  69          HD23      LEU  69  -7.045   8.738 -12.924
  566    H    VAL  70           H        VAL  70  -9.113   8.039 -15.847
  567    HA   VAL  70           HA       VAL  70  -8.888   9.914 -18.159
  568    HB   VAL  70           HB       VAL  70 -10.707   9.074 -19.297
  569   HG11  VAL  70          HG11      VAL  70  -8.653   7.530 -19.421
  570   HG12  VAL  70          HG12      VAL  70  -9.547   6.404 -18.416
  571   HG13  VAL  70          HG13      VAL  70 -10.216   6.880 -20.003
  572   HG21  VAL  70          HG21      VAL  70 -12.188   7.191 -18.621
  573   HG22  VAL  70          HG22      VAL  70 -11.304   7.174 -17.065
  574   HG23  VAL  70          HG23      VAL  70 -12.320   8.575 -17.533
  575    H    LEU  71           H        LEU  71 -10.754  11.321 -18.232
  576    HA   LEU  71           HA       LEU  71 -11.626  12.091 -15.498
  577    HB2  LEU  71           HB2      LEU  71 -10.288  13.622 -17.083
  578    HB3  LEU  71           HB3      LEU  71 -11.727  13.611 -18.116
  579    HG   LEU  71           HG       LEU  71 -11.182  15.590 -16.496
  580   HD11  LEU  71          HD11      LEU  71 -13.673  16.031 -16.414
  581   HD12  LEU  71          HD12      LEU  71 -13.023  15.634 -18.008
  582   HD13  LEU  71          HD13      LEU  71 -13.927  14.411 -17.142
  583   HD21  LEU  71          HD21      LEU  71 -12.265  15.564 -14.384
  584   HD22  LEU  71          HD22      LEU  71 -12.935  13.941 -14.644
  585   HD23  LEU  71          HD23      LEU  71 -11.185  14.159 -14.415
  586    H    ARG  72           H        ARG  72 -13.768  11.740 -15.128
  587    HA   ARG  72           HA       ARG  72 -15.554  11.343 -17.464
  588    HB2  ARG  72           HB2      ARG  72 -16.646   9.529 -16.485
  589    HB3  ARG  72           HB3      ARG  72 -14.913   9.244 -16.349
  590    HG2  ARG  72           HG2      ARG  72 -15.177   8.813 -14.156
  591    HG3  ARG  72           HG3      ARG  72 -15.664  10.482 -13.881
  592    HD2  ARG  72           HD2      ARG  72 -17.998   9.926 -14.272
  593    HD3  ARG  72           HD3      ARG  72 -17.578   8.272 -14.737
  594    HE   ARG  72           HE       ARG  72 -16.533   8.699 -12.139
  595   HH11  ARG  72          HH21      ARG  72 -19.765   8.676 -13.625
  596   HH12  ARG  72          HH22      ARG  72 -20.570   8.206 -12.173
  597   HH21  ARG  72          HH11      ARG  72 -17.633   7.983 -10.232
  598   HH22  ARG  72          HH12      ARG  72 -19.327   7.666 -10.275
  599    H    LEU  73           H        LEU  73 -14.993  13.717 -15.899
  600    HA   LEU  73           HA       LEU  73 -16.130  15.605 -15.408
  601    HB2  LEU  73           HB2      LEU  73 -18.588  14.168 -16.481
  602    HB3  LEU  73           HB3      LEU  73 -18.409  15.874 -16.236
  603    HG   LEU  73           HG       LEU  73 -18.265  15.395 -18.531
  604   HD11  LEU  73          HD11      LEU  73 -15.496  16.160 -17.664
  605   HD12  LEU  73          HD12      LEU  73 -16.341  16.598 -19.161
  606   HD13  LEU  73          HD13      LEU  73 -16.904  17.216 -17.613
  607   HD21  LEU  73          HD21      LEU  73 -15.765  13.708 -18.331
  608   HD22  LEU  73          HD22      LEU  73 -17.394  12.986 -18.303
  609   HD23  LEU  73          HD23      LEU  73 -16.886  13.929 -19.678
  610    H    ARG  74           H        ARG  74 -18.361  12.916 -14.239
  611    HA   ARG  74           HA       ARG  74 -18.625  14.362 -11.668
  612    HB2  ARG  74           HB2      ARG  74 -21.008  14.720 -12.013
  613    HB3  ARG  74           HB3      ARG  74 -20.087  15.422 -13.349
  614    HG2  ARG  74           HG2      ARG  74 -20.617  13.441 -14.771
  615    HG3  ARG  74           HG3      ARG  74 -21.643  12.802 -13.476
  616    HD2  ARG  74           HD2      ARG  74 -23.143  14.726 -13.667
  617    HD3  ARG  74           HD3      ARG  74 -22.022  15.534 -14.763
  618    HE   ARG  74           HE       ARG  74 -22.434  13.921 -16.470
  619   HH11  ARG  74          HH11      ARG  74 -24.720  13.488 -13.763
  620   HH12  ARG  74          HH12      ARG  74 -26.007  12.953 -14.790
  621   HH21  ARG  74          HH21      ARG  74 -23.980  12.938 -17.737
  622   HH22  ARG  74          HH22      ARG  74 -25.563  12.571 -17.109
  623    H    GLY  75           H        GLY  75 -20.142  13.181 -10.181
  624    HA2  GLY  75           HA2      GLY  75 -19.534  10.396 -10.069
  625    HA3  GLY  75           HA3      GLY  75 -20.610  11.310  -9.005
  626    H    GLY  76           H        GLY  76 -22.512  12.218 -11.012
  627    HA2  GLY  76           HA2      GLY  76 -23.620  10.262 -12.661
  628    HA3  GLY  76           HA3      GLY  76 -24.285   9.998 -11.039
  629    H1   GLY  -3           H1       GLY  -3 -11.506  21.796 -15.327
  630    H2   GLY  -3           H2       GLY  -3 -10.397  22.565 -16.253
  631    H3   GLY  -3           H3       GLY  -3 -10.630  23.030 -14.698
  632    HA2  GLY  -3           HA2      GLY  -3 -12.861  23.780 -15.166
  633    HA3  GLY  -3           HA3      GLY  -3 -11.682  24.615 -16.189
  634    H    HIS  -2           H        HIS  -2 -11.670  24.225 -18.445
  635    HA   HIS  -2           HA       HIS  -2 -14.060  23.299 -19.707
  636    HB2  HIS  -2           HB2      HIS  -2 -12.636  23.452 -21.784
  637    HB3  HIS  -2           HB3      HIS  -2 -12.746  24.913 -20.820
  638    HD2  HIS  -2           HD2      HIS  -2 -10.174  21.968 -21.281
  639    HE1  HIS  -2           HE1      HIS  -2  -7.984  25.513 -20.380
  640    H    MET  -1           H        MET  -1 -14.435  21.462 -21.006
  641    HA   MET  -1           HA       MET  -1 -13.391  18.958 -20.156
  642    HB2  MET  -1           HB2      MET  -1 -14.693  18.037 -21.935
  643    HB3  MET  -1           HB3      MET  -1 -15.589  19.367 -21.239
  644    HG2  MET  -1           HG2      MET  -1 -15.930  19.786 -23.462
  645    HG3  MET  -1           HG3      MET  -1 -14.515  20.784 -23.203
  646    HE1  MET  -1           HE1      MET  -1 -14.177  19.520 -26.911
  647    HE2  MET  -1           HE2      MET  -1 -15.670  19.923 -26.035
  648    HE3  MET  -1           HE3      MET  -1 -14.225  20.943 -25.845
  649    H    PHE 679           H        PHE 679 -12.087  17.417 -21.372
  650    HA   PHE 679           HA       PHE 679 -10.059  16.869 -22.135
  651    HB2  PHE 679           HB2      PHE 679 -11.619  16.801 -24.022
  652    HB3  PHE 679           HB3      PHE 679 -10.907  18.294 -24.641
  653    HD1  PHE 679           HD2      PHE 679  -8.064  17.973 -24.886
  654    HD2  PHE 679           HD1      PHE 679 -11.084  14.903 -25.043
  655    HE1  PHE 679           HE2      PHE 679  -6.570  16.565 -26.239
  656    HE2  PHE 679           HE1      PHE 679  -9.574  13.486 -26.403
  657    HZ   PHE 679           HZ       PHE 679  -7.313  14.323 -27.018
  658    HA   PRO 680           HA       PRO 680  -7.750  20.775 -21.298
  659    HB2  PRO 680           HB2      PRO 680  -6.841  20.195 -18.793
  660    HB3  PRO 680           HB3      PRO 680  -8.493  20.824 -19.030
  661    HG2  PRO 680           HG2      PRO 680  -7.659  17.897 -18.825
  662    HG3  PRO 680           HG3      PRO 680  -8.888  18.748 -17.829
  663    HD2  PRO 680           HD2      PRO 680  -9.550  17.314 -20.020
  664    HD3  PRO 680           HD3      PRO 680 -10.380  18.857 -19.652
  665    H    SER 681           H        SER 681  -5.276  20.486 -20.429
  666    HA   SER 681           HA       SER 681  -3.813  18.695 -22.014
  667    HB2  SER 681           HB2      SER 681  -2.931  20.013 -19.423
  668    HB3  SER 681           HB3      SER 681  -1.920  19.558 -20.809
  669    HG   SER 681           HG       SER 681  -2.418  21.816 -20.794
  670    H    ASP 682           H        ASP 682  -5.845  17.357 -20.118
  671    HA   ASP 682           HA       ASP 682  -4.162  15.340 -18.709
  672    HB2  ASP 682           HB2      ASP 682  -6.146  16.475 -17.534
  673    HB3  ASP 682           HB3      ASP 682  -7.159  15.698 -18.776
  674    H    ILE 683           H        ILE 683  -5.674  15.941 -21.710
  675    HA   ILE 683           HA       ILE 683  -5.942  13.038 -22.188
  676    HB   ILE 683           HB       ILE 683  -7.815  14.873 -23.535
  677   HG12  ILE 683          HG12      ILE 683  -8.163  15.610 -21.130
  678   HG13  ILE 683          HG13      ILE 683  -9.546  14.841 -21.897
  679   HG21  ILE 683          HG21      ILE 683  -7.697  12.494 -24.030
  680   HG22  ILE 683          HG22      ILE 683  -8.255  12.205 -22.360
  681   HG23  ILE 683          HG23      ILE 683  -9.282  13.088 -23.482
  682   HD11  ILE 683          HD11      ILE 683  -7.816  13.265 -19.984
  683   HD12  ILE 683          HD12      ILE 683  -9.197  14.280 -19.507
  684   HD13  ILE 683          HD13      ILE 683  -9.440  12.932 -20.607
  685    H    ASP 684           H        ASP 684  -5.374  12.372 -24.265
  686    HA   ASP 684           HA       ASP 684  -4.469  14.243 -26.331
  687    HB2  ASP 684           HB2      ASP 684  -2.443  13.912 -25.007
  688    HB3  ASP 684           HB3      ASP 684  -2.661  12.162 -24.979
  689    HA   PRO 685           HA       PRO 685  -6.701  11.206 -28.637
  690    HB2  PRO 685           HB2      PRO 685  -4.514  11.512 -30.702
  691    HB3  PRO 685           HB3      PRO 685  -6.291  11.436 -30.939
  692    HG2  PRO 685           HG2      PRO 685  -5.029  13.838 -30.916
  693    HG3  PRO 685           HG3      PRO 685  -6.577  13.636 -30.035
  694    HD2  PRO 685           HD2      PRO 685  -3.776  13.649 -28.930
  695    HD3  PRO 685           HD3      PRO 685  -5.263  14.388 -28.267
  696    H    GLN 686           H        GLN 686  -3.109  10.553 -28.465
  697    HA   GLN 686           HA       GLN 686  -3.345   7.955 -29.603
  698    HB2  GLN 686           HB2      GLN 686  -1.243   9.310 -29.413
  699    HB3  GLN 686           HB3      GLN 686  -1.217   8.983 -27.668
  700    HG2  GLN 686           HG2      GLN 686  -1.058   6.534 -28.153
  701    HG3  GLN 686           HG3      GLN 686  -1.122   6.876 -29.878
  702   HE21  GLN 686          HE22      GLN 686   0.912   6.914 -30.868
  703   HE22  GLN 686          HE21      GLN 686   2.405   7.317 -30.050
  704    H    VAL 687           H        VAL 687  -3.222   8.959 -26.120
  705    HA   VAL 687           HA       VAL 687  -3.454   6.241 -25.161
  706    HB   VAL 687           HB       VAL 687  -4.335   8.771 -23.737
  707   HG11  VAL 687          HG11      VAL 687  -3.323   6.048 -22.838
  708   HG12  VAL 687          HG12      VAL 687  -3.611   7.413 -21.720
  709   HG13  VAL 687          HG13      VAL 687  -4.940   6.693 -22.645
  710   HG21  VAL 687          HG21      VAL 687  -2.132   9.356 -24.422
  711   HG22  VAL 687          HG22      VAL 687  -1.980   8.753 -22.778
  712   HG23  VAL 687          HG23      VAL 687  -1.515   7.707 -24.146
  713    H    PHE 688           H        PHE 688  -5.707   8.813 -26.007
  714    HA   PHE 688           HA       PHE 688  -8.081   7.734 -24.917
  715    HB2  PHE 688           HB2      PHE 688  -7.634   9.945 -25.180
  716    HB3  PHE 688           HB3      PHE 688  -7.377   9.828 -26.921
  717    HD1  PHE 688           HD2      PHE 688 -10.188   9.098 -24.477
  718    HD2  PHE 688           HD1      PHE 688  -9.050  10.293 -28.465
  719    HE1  PHE 688           HE2      PHE 688 -12.586   9.436 -25.073
  720    HE2  PHE 688           HE1      PHE 688 -11.430  10.636 -29.042
  721    HZ   PHE 688           HZ       PHE 688 -13.199  10.213 -27.344
  722    H    TYR 689           H        TYR 689  -6.134   6.941 -27.755
  723    HA   TYR 689           HA       TYR 689  -8.252   5.299 -28.969
  724    HB2  TYR 689           HB2      TYR 689  -5.400   5.915 -29.752
  725    HB3  TYR 689           HB3      TYR 689  -6.491   4.877 -30.674
  726    HD1  TYR 689           HD1      TYR 689  -8.956   7.013 -30.066
  727    HD2  TYR 689           HD2      TYR 689  -4.995   7.193 -31.790
  728    HE1  TYR 689           HE1      TYR 689  -9.623   8.979 -31.377
  729    HE2  TYR 689           HE2      TYR 689  -5.664   9.178 -33.114
  730    HH   TYR 689           HH       TYR 689  -8.969  10.604 -32.935
  731    H    GLU 690           H        GLU 690  -5.351   4.877 -26.887
  732    HA   GLU 690           HA       GLU 690  -5.149   1.994 -27.061
  733    HB2  GLU 690           HB2      GLU 690  -4.770   3.815 -24.673
  734    HB3  GLU 690           HB3      GLU 690  -4.369   2.108 -24.717
  735    HG2  GLU 690           HG2      GLU 690  -3.036   4.287 -26.351
  736    HG3  GLU 690           HG3      GLU 690  -2.417   3.506 -24.892
  737    H    LEU 691           H        LEU 691  -7.312   4.214 -25.632
  738    HA   LEU 691           HA       LEU 691  -8.477   2.819 -23.576
  739    HB2  LEU 691           HB2      LEU 691  -8.453   5.370 -24.684
  740    HB3  LEU 691           HB3      LEU 691 -10.068   4.874 -25.128
  741    HG   LEU 691           HG       LEU 691 -10.631   4.657 -22.787
  742   HD11  LEU 691          HD11      LEU 691  -8.869   5.379 -21.043
  743   HD12  LEU 691          HD12      LEU 691  -8.561   3.820 -21.767
  744   HD13  LEU 691          HD13      LEU 691  -7.675   5.240 -22.360
  745   HD21  LEU 691          HD21      LEU 691 -10.730   6.858 -23.893
  746   HD22  LEU 691          HD22      LEU 691 -10.600   6.911 -22.150
  747   HD23  LEU 691          HD23      LEU 691  -9.162   7.240 -23.164
  748    HA   PRO 692           HA       PRO 692 -11.729   0.266 -25.447
  749    HB2  PRO 692           HB2      PRO 692 -13.723   0.379 -23.553
  750    HB3  PRO 692           HB3      PRO 692 -12.214  -0.556 -23.331
  751    HG2  PRO 692           HG2      PRO 692 -12.755   2.308 -22.422
  752    HG3  PRO 692           HG3      PRO 692 -12.200   0.932 -21.404
  753    HD2  PRO 692           HD2      PRO 692 -10.446   2.651 -22.393
  754    HD3  PRO 692           HD3      PRO 692 -10.070   0.922 -22.518
  755    H    GLU 693           H        GLU 693 -13.695   0.556 -26.629
  756    HA   GLU 693           HA       GLU 693 -14.128   3.242 -27.521
  757    HB2  GLU 693           HB2      GLU 693 -14.306   1.105 -28.860
  758    HB3  GLU 693           HB3      GLU 693 -15.782   0.719 -27.988
  759    HG2  GLU 693           HG2      GLU 693 -16.319   1.646 -30.156
  760    HG3  GLU 693           HG3      GLU 693 -16.877   2.733 -28.894
  761    H    ALA 694           H        ALA 694 -15.986   1.083 -25.324
  762    HA   ALA 694           HA       ALA 694 -18.302   2.727 -25.259
  763    HB1  ALA 694           HB1      ALA 694 -18.967   1.347 -23.348
  764    HB2  ALA 694           HB2      ALA 694 -18.304   0.355 -24.656
  765    HB3  ALA 694           HB3      ALA 694 -17.318   0.695 -23.205
  766    H    VAL 695           H        VAL 695 -15.405   2.677 -23.083
  767    HA   VAL 695           HA       VAL 695 -16.642   4.722 -21.407
  768    HB   VAL 695           HB       VAL 695 -13.691   4.073 -21.386
  769   HG11  VAL 695          HG11      VAL 695 -14.188   4.753 -18.888
  770   HG12  VAL 695          HG12      VAL 695 -14.112   6.037 -20.120
  771   HG13  VAL 695          HG13      VAL 695 -15.678   5.445 -19.529
  772   HG21  VAL 695          HG21      VAL 695 -15.938   2.719 -19.818
  773   HG22  VAL 695          HG22      VAL 695 -14.926   1.930 -21.046
  774   HG23  VAL 695          HG23      VAL 695 -14.199   2.487 -19.547
  775    H    GLN 696           H        GLN 696 -14.488   4.766 -24.296
  776    HA   GLN 696           HA       GLN 696 -14.015   7.587 -24.201
  777    HB2  GLN 696           HB2      GLN 696 -14.458   5.724 -26.584
  778    HB3  GLN 696           HB3      GLN 696 -14.025   7.418 -26.750
  779    HG2  GLN 696           HG2      GLN 696 -11.870   7.061 -25.762
  780    HG3  GLN 696           HG3      GLN 696 -12.277   5.459 -25.238
  781   HE21  GLN 696          HE22      GLN 696 -11.695   3.793 -26.697
  782   HE22  GLN 696          HE21      GLN 696 -11.409   4.004 -28.405
  783    H    LYS 697           H        LYS 697 -16.784   5.659 -25.472
  784    HA   LYS 697           HA       LYS 697 -18.406   7.713 -26.435
  785    HB2  LYS 697           HB2      LYS 697 -18.747   4.972 -25.959
  786    HB3  LYS 697           HB3      LYS 697 -19.844   5.670 -24.795
  787    HG2  LYS 697           HG2      LYS 697 -21.345   5.725 -26.434
  788    HG3  LYS 697           HG3      LYS 697 -20.494   7.133 -27.060
  789    HD2  LYS 697           HD2      LYS 697 -20.103   4.213 -27.867
  790    HD3  LYS 697           HD3      LYS 697 -20.874   5.485 -28.830
  791    HE2  LYS 697           HE2      LYS 697 -18.629   6.726 -28.816
  792    HE3  LYS 697           HE3      LYS 697 -17.919   5.298 -28.052
  793    HZ1  LYS 697           HZ1      LYS 697 -17.545   5.061 -30.342
  794    HZ2  LYS 697           HZ2      LYS 697 -18.797   4.043 -30.069
  795    HZ3  LYS 697           HZ3      LYS 697 -19.076   5.500 -30.774
  796    H    GLU 698           H        GLU 698 -18.160   6.568 -23.058
  797    HA   GLU 698           HA       GLU 698 -20.026   8.347 -21.853
  798    HB2  GLU 698           HB2      GLU 698 -18.077   6.515 -20.829
  799    HB3  GLU 698           HB3      GLU 698 -17.563   8.078 -20.209
  800    HG2  GLU 698           HG2      GLU 698 -18.946   7.442 -18.543
  801    HG3  GLU 698           HG3      GLU 698 -20.034   8.431 -19.497
  802    H    LEU 699           H        LEU 699 -16.543   8.630 -22.346
  803    HA   LEU 699           HA       LEU 699 -16.158  11.159 -21.172
  804    HB2  LEU 699           HB2      LEU 699 -14.662   9.338 -23.050
  805    HB3  LEU 699           HB3      LEU 699 -14.082  10.958 -22.911
  806    HG   LEU 699           HG       LEU 699 -13.341  10.706 -20.759
  807   HD11  LEU 699          HD11      LEU 699 -15.263   8.414 -20.222
  808   HD12  LEU 699          HD12      LEU 699 -14.036   9.034 -19.102
  809   HD13  LEU 699          HD13      LEU 699 -15.366  10.076 -19.559
  810   HD21  LEU 699          HD21      LEU 699 -12.230   8.484 -20.649
  811   HD22  LEU 699          HD22      LEU 699 -13.301   7.886 -21.910
  812   HD23  LEU 699          HD23      LEU 699 -12.142   9.199 -22.268
  813    H    LEU 700           H        LEU 700 -16.238  10.465 -24.712
  814    HA   LEU 700           HA       LEU 700 -16.054  13.205 -25.358
  815    HB2  LEU 700           HB2      LEU 700 -16.713  12.602 -27.633
  816    HB3  LEU 700           HB3      LEU 700 -15.447  11.586 -26.957
  817    HG   LEU 700           HG       LEU 700 -17.720  10.156 -26.307
  818   HD11  LEU 700          HD11      LEU 700 -18.220  11.249 -29.088
  819   HD12  LEU 700          HD12      LEU 700 -19.137   9.973 -28.250
  820   HD13  LEU 700          HD13      LEU 700 -19.184  11.635 -27.646
  821   HD21  LEU 700          HD21      LEU 700 -15.593   9.317 -27.289
  822   HD22  LEU 700          HD22      LEU 700 -17.019   8.594 -28.029
  823   HD23  LEU 700          HD23      LEU 700 -16.127   9.882 -28.883
  824    H    ALA 701           H        ALA 701 -18.982  11.219 -24.750
  825    HA   ALA 701           HA       ALA 701 -20.753  13.282 -25.730
  826    HB1  ALA 701           HB1      ALA 701 -22.498  11.887 -24.679
  827    HB2  ALA 701           HB2      ALA 701 -21.354  10.885 -25.606
  828    HB3  ALA 701           HB3      ALA 701 -21.246  10.935 -23.834
  829    H    GLU 702           H        GLU 702 -19.700  12.278 -22.412
  830    HA   GLU 702           HA       GLU 702 -21.105  14.410 -21.061
  831    HB2  GLU 702           HB2      GLU 702 -18.652  12.721 -20.368
  832    HB3  GLU 702           HB3      GLU 702 -19.362  13.869 -19.274
  833    HG2  GLU 702           HG2      GLU 702 -20.909  11.547 -20.375
  834    HG3  GLU 702           HG3      GLU 702 -20.017  11.563 -18.844
  835    H    TRP 703           H        TRP 703 -17.886  14.187 -22.555
  836    HA   TRP 703           HA       TRP 703 -16.882  16.466 -21.331
  837    HB2  TRP 703           HB2      TRP 703 -16.217  15.150 -24.003
  838    HB3  TRP 703           HB3      TRP 703 -15.349  16.553 -23.467
  839    HD1  TRP 703           HD1      TRP 703 -15.204  15.009 -20.311
  840    HE1  TRP 703           HE1      TRP 703 -13.478  13.173 -20.031
  841    HE3  TRP 703           HE3      TRP 703 -14.043  14.186 -25.220
  842    HZ2  TRP 703           HZ2      TRP 703 -11.355  11.954 -21.643
  843    HZ3  TRP 703           HZ3      TRP 703 -12.235  12.609 -25.811
  844    HH2  TRP 703           HH2      TRP 703 -10.868  11.539 -24.040
  845    H    LYS 704           H        LYS 704 -18.545  16.117 -24.557
  846    HA   LYS 704           HA       LYS 704 -18.530  18.993 -24.912
  847    HB2  LYS 704           HB2      LYS 704 -19.856  18.645 -26.861
  848    HB3  LYS 704           HB3      LYS 704 -18.568  17.441 -26.793
  849    HG2  LYS 704           HG2      LYS 704 -20.233  15.768 -25.946
  850    HG3  LYS 704           HG3      LYS 704 -21.513  16.980 -26.150
  851    HD2  LYS 704           HD2      LYS 704 -21.056  17.112 -28.549
  852    HD3  LYS 704           HD3      LYS 704 -19.641  16.041 -28.378
  853    HE2  LYS 704           HE2      LYS 704 -21.042  14.186 -27.681
  854    HE3  LYS 704           HE3      LYS 704 -22.487  15.217 -27.670
  855    HZ1  LYS 704           HZ1      LYS 704 -20.919  14.549 -30.108
  856    HZ2  LYS 704           HZ2      LYS 704 -22.361  13.886 -29.696
  857    HZ3  LYS 704           HZ3      LYS 704 -22.271  15.465 -30.072
  858    H    ARG 705           H        ARG 705 -20.696  16.836 -23.150
  859    HA   ARG 705           HA       ARG 705 -22.939  18.654 -23.094
  860    HB2  ARG 705           HB2      ARG 705 -22.179  16.111 -21.769
  861    HB3  ARG 705           HB3      ARG 705 -23.031  17.209 -20.702
  862    HG2  ARG 705           HG2      ARG 705 -24.585  15.703 -21.742
  863    HG3  ARG 705           HG3      ARG 705 -24.905  17.355 -22.266
  864    HD2  ARG 705           HD2      ARG 705 -23.749  16.839 -24.450
  865    HD3  ARG 705           HD3      ARG 705 -23.435  15.211 -23.859
  866    HE   ARG 705           HE       ARG 705 -25.600  14.579 -24.177
  867   HH11  ARG 705          HH11      ARG 705 -25.462  18.105 -24.696
  868   HH12  ARG 705          HH12      ARG 705 -27.027  18.187 -25.416
  869   HH21  ARG 705          HH21      ARG 705 -27.673  14.708 -25.123
  870   HH22  ARG 705          HH22      ARG 705 -28.312  16.221 -25.652
  871    H    THR 706           H        THR 706 -20.165  18.147 -20.736
  872    HA   THR 706           HA       THR 706 -21.050  20.422 -19.147
  873    HB   THR 706           HB       THR 706 -18.745  20.176 -18.144
  874    HG1  THR 706           HG1      THR 706 -17.483  19.256 -19.653
  875   HG21  THR 706          HG21      THR 706 -19.204  18.071 -17.037
  876   HG22  THR 706          HG22      THR 706 -20.745  18.898 -17.280
  877   HG23  THR 706          HG23      THR 706 -20.286  17.540 -18.341
  878    H    GLY 707           H        GLY 707 -18.670  19.838 -21.721
  879    HA2  GLY 707           HA2      GLY 707 -17.727  21.078 -23.268
  880    HA3  GLY 707           HA3      GLY 707 -19.014  22.274 -23.045
  Start of MODEL   14
    1    H1   MET   1           H1       MET   1   3.466  -1.454  -3.036
    2    H2   MET   1           H2       MET   1   4.539  -2.675  -2.770
    3    H3   MET   1           H3       MET   1   5.035  -1.114  -2.760
    4    HA   MET   1           HA       MET   1   5.761  -2.090  -4.803
    5    HB2  MET   1           HB2      MET   1   4.317  -2.987  -6.415
    6    HB3  MET   1           HB3      MET   1   4.079  -3.896  -4.926
    7    HG2  MET   1           HG2      MET   1   1.893  -2.559  -4.681
    8    HG3  MET   1           HG3      MET   1   2.219  -1.928  -6.312
    9    HE1  MET   1           HE1      MET   1  -0.493  -3.131  -6.460
   10    HE2  MET   1           HE2      MET   1   0.428  -2.994  -7.992
   11    HE3  MET   1           HE3      MET   1  -0.402  -4.506  -7.576
   12    H    GLN   2           H        GLN   2   5.199  -1.077  -7.177
   13    HA   GLN   2           HA       GLN   2   3.728   1.470  -6.818
   14    HB2  GLN   2           HB2      GLN   2   5.401   2.710  -7.871
   15    HB3  GLN   2           HB3      GLN   2   6.248   1.684  -6.712
   16    HG2  GLN   2           HG2      GLN   2   6.855   0.130  -8.599
   17    HG3  GLN   2           HG3      GLN   2   6.123   1.263  -9.735
   18   HE21  GLN   2          HE22      GLN   2   8.956   0.572  -9.954
   19   HE22  GLN   2          HE21      GLN   2   9.851   1.990  -9.508
   20    H    ILE   3           H        ILE   3   2.773   2.302  -8.783
   21    HA   ILE   3           HA       ILE   3   2.726   0.442 -11.167
   22    HB   ILE   3           HB       ILE   3   0.257   0.750 -11.302
   23   HG12  ILE   3          HG12      ILE   3   0.284   1.492  -8.349
   24   HG13  ILE   3          HG13      ILE   3   0.387   2.725  -9.580
   25   HG21  ILE   3          HG21      ILE   3   1.193  -0.815  -8.824
   26   HG22  ILE   3          HG22      ILE   3  -0.280  -1.106  -9.778
   27   HG23  ILE   3          HG23      ILE   3   1.324  -1.365 -10.494
   28   HD11  ILE   3          HD11      ILE   3  -1.895   2.478  -8.911
   29   HD12  ILE   3          HD12      ILE   3  -1.671   2.017 -10.614
   30   HD13  ILE   3          HD13      ILE   3  -1.891   0.754  -9.373
   31    H    PHE   4           H        PHE   4   1.827   1.459 -13.022
   32    HA   PHE   4           HA       PHE   4   2.685   4.320 -13.078
   33    HB2  PHE   4           HB2      PHE   4   2.748   2.439 -15.435
   34    HB3  PHE   4           HB3      PHE   4   3.644   3.924 -15.115
   35    HD1  PHE   4           HD2      PHE   4   5.023   3.723 -12.775
   36    HD2  PHE   4           HD1      PHE   4   4.100   0.493 -15.445
   37    HE1  PHE   4           HE2      PHE   4   6.926   2.420 -11.848
   38    HE2  PHE   4           HE1      PHE   4   6.133  -0.715 -14.649
   39    HZ   PHE   4           HZ       PHE   4   7.564   0.265 -12.891
   40    H    VAL   5           H        VAL   5   0.725   5.429 -12.977
   41    HA   VAL   5           HA       VAL   5  -1.540   4.424 -14.640
   42    HB   VAL   5           HB       VAL   5  -1.473   6.750 -12.712
   43   HG11  VAL   5          HG11      VAL   5  -3.210   6.977 -14.424
   44   HG12  VAL   5          HG12      VAL   5  -3.787   5.323 -14.138
   45   HG13  VAL   5          HG13      VAL   5  -3.946   6.557 -12.858
   46   HG21  VAL   5          HG21      VAL   5  -2.630   5.247 -11.180
   47   HG22  VAL   5          HG22      VAL   5  -2.552   3.924 -12.327
   48   HG23  VAL   5          HG23      VAL   5  -1.071   4.526 -11.618
   49    H    LYS   6           H        LYS   6  -1.205   4.821 -16.782
   50    HA   LYS   6           HA       LYS   6   0.095   7.269 -17.733
   51    HB2  LYS   6           HB2      LYS   6  -0.100   4.966 -18.960
   52    HB3  LYS   6           HB3      LYS   6  -1.748   5.488 -19.365
   53    HG2  LYS   6           HG2      LYS   6  -0.569   7.712 -20.195
   54    HG3  LYS   6           HG3      LYS   6   0.929   6.787 -20.043
   55    HD2  LYS   6           HD2      LYS   6  -0.394   5.018 -21.506
   56    HD3  LYS   6           HD3      LYS   6  -1.370   6.457 -21.983
   57    HE2  LYS   6           HE2      LYS   6   0.564   7.601 -22.844
   58    HE3  LYS   6           HE3      LYS   6   1.669   6.427 -22.116
   59    HZ1  LYS   6           HZ1      LYS   6  -0.133   5.842 -24.439
   60    HZ2  LYS   6           HZ2      LYS   6   1.483   6.000 -24.467
   61    HZ3  LYS   6           HZ3      LYS   6   0.827   4.738 -23.680
   62    H    THR   7           H        THR   7  -0.942   9.257 -17.727
   63    HA   THR   7           HA       THR   7  -3.839   9.246 -17.469
   64    HB   THR   7           HB       THR   7  -3.693  11.582 -17.531
   65    HG1  THR   7           HG1      THR   7  -1.476  12.498 -17.620
   66   HG21  THR   7          HG21      THR   7  -1.599  10.464 -15.666
   67   HG22  THR   7          HG22      THR   7  -2.450  12.022 -15.480
   68   HG23  THR   7          HG23      THR   7  -3.366  10.510 -15.393
   69    H    LEU   8           H        LEU   8  -5.149  10.491 -18.900
   70    HA   LEU   8           HA       LEU   8  -4.764   9.441 -21.537
   71    HB2  LEU   8           HB2      LEU   8  -6.710  11.541 -20.667
   72    HB3  LEU   8           HB3      LEU   8  -6.552  10.889 -22.305
   73    HG   LEU   8           HG       LEU   8  -7.659   9.592 -19.876
   74   HD11  LEU   8          HD11      LEU   8  -8.561   9.840 -22.741
   75   HD12  LEU   8          HD12      LEU   8  -9.403   8.868 -21.513
   76   HD13  LEU   8          HD13      LEU   8  -9.253  10.606 -21.287
   77   HD21  LEU   8          HD21      LEU   8  -7.592   7.325 -21.070
   78   HD22  LEU   8          HD22      LEU   8  -6.609   8.100 -22.315
   79   HD23  LEU   8          HD23      LEU   8  -6.025   7.907 -20.617
   80    H    THR   9           H        THR   9  -3.234  12.260 -20.170
   81    HA   THR   9           HA       THR   9  -3.042  13.613 -22.730
   82    HB   THR   9           HB       THR   9  -2.978  14.936 -20.778
   83    HG1  THR   9           HG1      THR   9  -1.898  16.116 -21.998
   84   HG21  THR   9          HG21      THR   9  -0.624  13.344 -19.839
   85   HG22  THR   9          HG22      THR   9  -0.895  15.023 -19.316
   86   HG23  THR   9          HG23      THR   9  -2.140  13.824 -19.003
   87    H    GLY  10           H        GLY  10  -1.580  10.841 -21.333
   88    HA2  GLY  10           HA2      GLY  10   0.120   9.521 -22.249
   89    HA3  GLY  10           HA3      GLY  10   0.671  10.884 -23.243
   90    H    LYS  11           H        LYS  11  -0.026  10.910 -19.638
   91    HA   LYS  11           HA       LYS  11   2.952  11.173 -19.242
   92    HB2  LYS  11           HB2      LYS  11   1.988  13.331 -18.862
   93    HB3  LYS  11           HB3      LYS  11   0.707  12.670 -17.851
   94    HG2  LYS  11           HG2      LYS  11   3.574  12.100 -17.087
   95    HG3  LYS  11           HG3      LYS  11   2.970  13.746 -16.859
   96    HD2  LYS  11           HD2      LYS  11   1.895  11.209 -15.572
   97    HD3  LYS  11           HD3      LYS  11   2.848  12.453 -14.791
   98    HE2  LYS  11           HE2      LYS  11   0.015  12.785 -15.907
   99    HE3  LYS  11           HE3      LYS  11   0.444  12.502 -14.239
  100    HZ1  LYS  11           HZ1      LYS  11   0.050  14.762 -14.488
  101    HZ2  LYS  11           HZ2      LYS  11   1.659  14.631 -14.243
  102    HZ3  LYS  11           HZ3      LYS  11   1.091  14.967 -15.760
  103    H    THR  12           H        THR  12   3.647   9.355 -18.203
  104    HA   THR  12           HA       THR  12   1.646   7.845 -16.663
  105    HB   THR  12           HB       THR  12   4.466   6.932 -16.806
  106    HG1  THR  12           HG1      THR  12   4.375   6.383 -18.976
  107   HG21  THR  12          HG21      THR  12   2.372   5.719 -15.941
  108   HG22  THR  12          HG22      THR  12   1.827   5.606 -17.648
  109   HG23  THR  12          HG23      THR  12   3.325   4.802 -17.154
  110    H    ILE  13           H        ILE  13   1.205   8.268 -14.721
  111    HA   ILE  13           HA       ILE  13   3.301   9.465 -13.010
  112    HB   ILE  13           HB       ILE  13   1.678  10.846 -12.721
  113   HG12  ILE  13          HG12      ILE  13   1.942   9.272 -10.512
  114   HG13  ILE  13          HG13      ILE  13   1.101  10.802 -10.598
  115   HG21  ILE  13          HG21      ILE  13  -0.038  10.172 -14.181
  116   HG22  ILE  13          HG22      ILE  13  -0.577   8.884 -13.069
  117   HG23  ILE  13          HG23      ILE  13  -0.730  10.613 -12.603
  118   HD11  ILE  13          HD11      ILE  13  -1.026   9.826 -10.502
  119   HD12  ILE  13          HD12      ILE  13  -0.350   8.198 -10.915
  120   HD13  ILE  13          HD13      ILE  13  -0.042   8.937  -9.342
  121    H    THR  14           H        THR  14   4.433   8.119 -11.866
  122    HA   THR  14           HA       THR  14   3.480   5.414 -11.383
  123    HB   THR  14           HB       THR  14   5.958   6.824 -10.416
  124    HG1  THR  14           HG1      THR  14   6.961   6.138 -12.257
  125   HG21  THR  14          HG21      THR  14   5.171   3.833 -10.596
  126   HG22  THR  14          HG22      THR  14   6.859   4.361 -10.465
  127   HG23  THR  14          HG23      THR  14   5.715   4.747  -9.176
  128    H    LEU  15           H        LEU  15   2.791   4.698  -9.293
  129    HA   LEU  15           HA       LEU  15   3.105   6.545  -7.038
  130    HB2  LEU  15           HB2      LEU  15   0.832   6.475  -6.376
  131    HB3  LEU  15           HB3      LEU  15   0.910   7.151  -8.012
  132    HG   LEU  15           HG       LEU  15   0.288   4.218  -7.855
  133   HD11  LEU  15          HD11      LEU  15  -2.047   4.633  -7.300
  134   HD12  LEU  15          HD12      LEU  15  -1.030   5.203  -5.969
  135   HD13  LEU  15          HD13      LEU  15  -1.733   6.375  -7.128
  136   HD21  LEU  15          HD21      LEU  15   0.386   5.361  -9.981
  137   HD22  LEU  15          HD22      LEU  15  -1.250   4.777  -9.531
  138   HD23  LEU  15          HD23      LEU  15  -0.864   6.514  -9.423
  139    H    GLU  16           H        GLU  16   2.652   5.510  -4.966
  140    HA   GLU  16           HA       GLU  16   3.384   2.670  -5.205
  141    HB2  GLU  16           HB2      GLU  16   3.939   4.766  -3.090
  142    HB3  GLU  16           HB3      GLU  16   4.035   3.028  -2.714
  143    HG2  GLU  16           HG2      GLU  16   5.592   2.677  -4.582
  144    HG3  GLU  16           HG3      GLU  16   5.560   4.404  -4.964
  145    H    VAL  17           H        VAL  17   2.220   1.175  -4.444
  146    HA   VAL  17           HA       VAL  17  -0.344   1.604  -3.010
  147    HB   VAL  17           HB       VAL  17  -1.589   0.480  -4.807
  148   HG11  VAL  17          HG11      VAL  17  -0.035   2.775  -6.047
  149   HG12  VAL  17          HG12      VAL  17  -1.629   2.172  -6.518
  150   HG13  VAL  17          HG13      VAL  17  -1.418   2.951  -4.935
  151   HG21  VAL  17          HG21      VAL  17   0.157  -0.949  -5.753
  152   HG22  VAL  17          HG22      VAL  17  -0.565   0.026  -7.011
  153   HG23  VAL  17          HG23      VAL  17   1.033   0.472  -6.383
  154    H    GLU  18           H        GLU  18  -1.400  -0.878  -3.351
  155    HA   GLU  18           HA       GLU  18   0.640  -2.951  -2.900
  156    HB2  GLU  18           HB2      GLU  18  -1.865  -2.645  -1.185
  157    HB3  GLU  18           HB3      GLU  18  -0.679  -3.938  -1.072
  158    HG2  GLU  18           HG2      GLU  18  -0.308  -1.011  -0.359
  159    HG3  GLU  18           HG3      GLU  18  -0.425  -2.368   0.752
  160    HA   PRO  19           HA       PRO  19  -2.179  -4.821  -5.848
  161    HB2  PRO  19           HB2      PRO  19  -2.297  -7.336  -4.244
  162    HB3  PRO  19           HB3      PRO  19  -1.857  -7.104  -5.970
  163    HG2  PRO  19           HG2      PRO  19   0.015  -7.609  -4.012
  164    HG3  PRO  19           HG3      PRO  19   0.347  -6.595  -5.441
  165    HD2  PRO  19           HD2      PRO  19  -0.231  -5.747  -2.616
  166    HD3  PRO  19           HD3      PRO  19   0.844  -4.988  -3.835
  167    H    SER  20           H        SER  20  -2.958  -5.030  -2.365
  168    HA   SER  20           HA       SER  20  -5.827  -5.457  -2.956
  169    HB2  SER  20           HB2      SER  20  -4.358  -5.511  -0.297
  170    HB3  SER  20           HB3      SER  20  -6.021  -6.050  -0.618
  171    HG   SER  20           HG       SER  20  -4.498  -7.807  -0.533
  172    H    ASP  21           H        ASP  21  -3.965  -2.884  -3.171
  173    HA   ASP  21           HA       ASP  21  -5.420  -1.164  -1.407
  174    HB2  ASP  21           HB2      ASP  21  -3.112  -0.661  -2.372
  175    HB3  ASP  21           HB3      ASP  21  -3.935  -0.344  -3.922
  176    H    THR  22           H        THR  22  -7.272  -0.020  -1.978
  177    HA   THR  22           HA       THR  22  -8.838  -1.203  -4.088
  178    HB   THR  22           HB       THR  22 -10.577   0.536  -3.349
  179    HG1  THR  22           HG1      THR  22 -10.148   1.273  -1.147
  180   HG21  THR  22          HG21      THR  22 -10.755  -1.792  -2.837
  181   HG22  THR  22          HG22      THR  22  -9.635  -1.630  -1.447
  182   HG23  THR  22          HG23      THR  22 -11.241  -0.841  -1.427
  183    H    ILE  23           H        ILE  23  -9.643  -0.283  -5.853
  184    HA   ILE  23           HA       ILE  23  -8.337   1.721  -7.302
  185    HB   ILE  23           HB       ILE  23 -11.283   1.091  -7.272
  186   HG12  ILE  23          HG12      ILE  23 -10.552  -0.977  -7.827
  187   HG13  ILE  23          HG13      ILE  23 -10.472  -0.233  -9.431
  188   HG21  ILE  23          HG21      ILE  23 -10.811   3.161  -8.566
  189   HG22  ILE  23          HG22      ILE  23  -9.617   2.264  -9.525
  190   HG23  ILE  23          HG23      ILE  23 -11.349   1.856  -9.616
  191   HD11  ILE  23          HD11      ILE  23  -8.146  -0.827  -7.593
  192   HD12  ILE  23          HD12      ILE  23  -8.536  -1.574  -9.127
  193   HD13  ILE  23          HD13      ILE  23  -8.021   0.132  -9.091
  194    H    GLU  24           H        GLU  24 -11.073   2.272  -4.928
  195    HA   GLU  24           HA       GLU  24 -11.336   5.023  -5.424
  196    HB2  GLU  24           HB2      GLU  24 -12.795   3.580  -3.952
  197    HB3  GLU  24           HB3      GLU  24 -11.543   3.625  -2.718
  198    HG2  GLU  24           HG2      GLU  24 -11.761   6.112  -2.611
  199    HG3  GLU  24           HG3      GLU  24 -12.985   6.049  -3.880
  200    H    ASN  25           H        ASN  25  -9.043   3.346  -3.257
  201    HA   ASN  25           HA       ASN  25  -8.001   5.864  -2.212
  202    HB2  ASN  25           HB2      ASN  25  -8.056   3.740  -0.893
  203    HB3  ASN  25           HB3      ASN  25  -6.884   3.056  -2.028
  204   HD21  ASN  25          HD22      ASN  25  -5.101   2.847  -0.741
  205   HD22  ASN  25          HD21      ASN  25  -4.378   4.134   0.239
  206    H    VAL  26           H        VAL  26  -7.065   3.564  -4.759
  207    HA   VAL  26           HA       VAL  26  -4.565   4.734  -5.473
  208    HB   VAL  26           HB       VAL  26  -6.724   3.154  -6.870
  209   HG11  VAL  26          HG11      VAL  26  -5.704   4.415  -8.637
  210   HG12  VAL  26          HG12      VAL  26  -4.071   3.949  -8.103
  211   HG13  VAL  26          HG13      VAL  26  -5.188   2.717  -8.744
  212   HG21  VAL  26          HG21      VAL  26  -5.336   1.263  -6.594
  213   HG22  VAL  26          HG22      VAL  26  -3.908   2.262  -6.207
  214   HG23  VAL  26          HG23      VAL  26  -5.231   2.098  -5.053
  215    H    LYS  27           H        LYS  27  -7.933   5.367  -6.809
  216    HA   LYS  27           HA       LYS  27  -7.170   7.560  -8.397
  217    HB2  LYS  27           HB2      LYS  27  -9.731   7.151  -6.742
  218    HB3  LYS  27           HB3      LYS  27  -9.536   8.429  -7.938
  219    HG2  LYS  27           HG2      LYS  27  -9.386   6.694  -9.738
  220    HG3  LYS  27           HG3      LYS  27  -9.739   5.462  -8.506
  221    HD2  LYS  27           HD2      LYS  27 -11.755   6.936  -7.832
  222    HD3  LYS  27           HD3      LYS  27 -11.453   7.831  -9.325
  223    HE2  LYS  27           HE2      LYS  27 -11.880   5.800 -10.642
  224    HE3  LYS  27           HE3      LYS  27 -12.158   4.895  -9.136
  225    HZ1  LYS  27           HZ1      LYS  27 -14.050   6.251  -8.630
  226    HZ2  LYS  27           HZ2      LYS  27 -13.771   7.309  -9.887
  227    HZ3  LYS  27           HZ3      LYS  27 -14.264   5.753 -10.155
  228    H    ALA  28           H        ALA  28  -7.826   7.489  -4.842
  229    HA   ALA  28           HA       ALA  28  -7.771  10.353  -4.538
  230    HB1  ALA  28           HB1      ALA  28  -7.499   9.914  -2.171
  231    HB2  ALA  28           HB2      ALA  28  -8.701   8.784  -2.828
  232    HB3  ALA  28           HB3      ALA  28  -7.050   8.234  -2.466
  233    H    LYS  29           H        LYS  29  -5.185   7.860  -4.620
  234    HA   LYS  29           HA       LYS  29  -3.063   9.753  -4.000
  235    HB2  LYS  29           HB2      LYS  29  -3.042   7.090  -5.439
  236    HB3  LYS  29           HB3      LYS  29  -1.590   8.050  -5.080
  237    HG2  LYS  29           HG2      LYS  29  -1.965   7.897  -2.706
  238    HG3  LYS  29           HG3      LYS  29  -3.578   7.185  -2.935
  239    HD2  LYS  29           HD2      LYS  29  -2.619   5.184  -3.948
  240    HD3  LYS  29           HD3      LYS  29  -0.982   5.851  -3.821
  241    HE2  LYS  29           HE2      LYS  29  -2.557   5.861  -1.290
  242    HE3  LYS  29           HE3      LYS  29  -2.228   4.240  -1.931
  243    HZ1  LYS  29           HZ1      LYS  29  -0.462   4.925  -0.444
  244    HZ2  LYS  29           HZ2      LYS  29   0.150   4.785  -1.964
  245    HZ3  LYS  29           HZ3      LYS  29  -0.143   6.273  -1.307
  246    H    ILE  30           H        ILE  30  -4.745   8.757  -7.043
  247    HA   ILE  30           HA       ILE  30  -3.040  10.353  -8.721
  248    HB   ILE  30           HB       ILE  30  -5.983   9.896  -9.229
  249   HG12  ILE  30          HG12      ILE  30  -5.238   7.713  -8.889
  250   HG13  ILE  30          HG13      ILE  30  -5.275   7.918 -10.619
  251   HG21  ILE  30          HG21      ILE  30  -3.584  10.402 -11.042
  252   HG22  ILE  30          HG22      ILE  30  -5.221  10.006 -11.619
  253   HG23  ILE  30          HG23      ILE  30  -4.948  11.507 -10.735
  254   HD11  ILE  30          HD11      ILE  30  -3.410   6.649  -9.661
  255   HD12  ILE  30          HD12      ILE  30  -2.836   8.041 -10.659
  256   HD13  ILE  30          HD13      ILE  30  -2.773   8.096  -8.877
  257    H    GLN  31           H        GLN  31  -5.915  11.256  -6.848
  258    HA   GLN  31           HA       GLN  31  -6.093  13.952  -7.635
  259    HB2  GLN  31           HB2      GLN  31  -7.740  12.722  -6.174
  260    HB3  GLN  31           HB3      GLN  31  -6.593  12.907  -4.851
  261    HG2  GLN  31           HG2      GLN  31  -6.857  15.535  -5.730
  262    HG3  GLN  31           HG3      GLN  31  -8.470  14.906  -5.974
  263   HE21  GLN  31          HE22      GLN  31  -9.771  14.430  -4.093
  264   HE22  GLN  31          HE21      GLN  31  -9.182  14.694  -2.468
  265    H    ASP  32           H        ASP  32  -4.002  12.362  -5.224
  266    HA   ASP  32           HA       ASP  32  -2.738  14.766  -4.305
  267    HB2  ASP  32           HB2      ASP  32  -2.446  12.817  -2.988
  268    HB3  ASP  32           HB3      ASP  32  -1.796  11.887  -4.316
  269    H    LYS  33           H        LYS  33  -2.091  12.611  -7.157
  270    HA   LYS  33           HA       LYS  33   0.418  14.021  -7.647
  271    HB2  LYS  33           HB2      LYS  33  -0.898  11.819  -9.198
  272    HB3  LYS  33           HB3      LYS  33   0.787  12.350  -9.238
  273    HG2  LYS  33           HG2      LYS  33   0.001  11.572  -6.488
  274    HG3  LYS  33           HG3      LYS  33  -0.389  10.315  -7.613
  275    HD2  LYS  33           HD2      LYS  33   1.802   9.946  -6.628
  276    HD3  LYS  33           HD3      LYS  33   1.923  10.156  -8.361
  277    HE2  LYS  33           HE2      LYS  33   3.715  11.387  -7.545
  278    HE3  LYS  33           HE3      LYS  33   2.505  12.598  -7.963
  279    HZ1  LYS  33           HZ1      LYS  33   3.188  11.623  -5.228
  280    HZ2  LYS  33           HZ2      LYS  33   3.401  13.130  -5.800
  281    HZ3  LYS  33           HZ3      LYS  33   1.889  12.585  -5.473
  282    H    GLU  34           H        GLU  34  -2.784  13.982  -8.931
  283    HA   GLU  34           HA       GLU  34  -2.074  15.673 -11.259
  284    HB2  GLU  34           HB2      GLU  34  -4.330  13.669 -10.751
  285    HB3  GLU  34           HB3      GLU  34  -4.113  14.589 -12.246
  286    HG2  GLU  34           HG2      GLU  34  -2.359  12.402 -11.111
  287    HG3  GLU  34           HG3      GLU  34  -3.200  12.433 -12.659
  288    H    GLY  35           H        GLY  35  -4.423  15.307  -8.601
  289    HA2  GLY  35           HA2      GLY  35  -5.274  17.215  -7.492
  290    HA3  GLY  35           HA3      GLY  35  -5.241  18.136  -8.992
  291    H    ILE  36           H        ILE  36  -6.540  14.927  -9.436
  292    HA   ILE  36           HA       ILE  36  -9.139  16.231  -9.963
  293    HB   ILE  36           HB       ILE  36  -8.002  13.553 -10.809
  294   HG12  ILE  36          HG12      ILE  36  -8.286  16.133 -12.448
  295   HG13  ILE  36          HG13      ILE  36  -6.765  15.600 -11.730
  296   HG21  ILE  36          HG21      ILE  36 -10.539  13.710 -10.779
  297   HG22  ILE  36          HG22      ILE  36 -10.408  15.095 -11.883
  298   HG23  ILE  36          HG23      ILE  36  -9.873  13.470 -12.388
  299   HD11  ILE  36          HD11      ILE  36  -8.333  14.111 -13.833
  300   HD12  ILE  36          HD12      ILE  36  -6.757  14.908 -13.995
  301   HD13  ILE  36          HD13      ILE  36  -6.906  13.477 -12.948
  302    HA   PRO  37           HA       PRO  37 -10.523  14.045  -6.268
  303    HB2  PRO  37           HB2      PRO  37 -13.303  14.485  -6.632
  304    HB3  PRO  37           HB3      PRO  37 -12.146  15.499  -5.719
  305    HG2  PRO  37           HG2      PRO  37 -13.402  16.050  -8.316
  306    HG3  PRO  37           HG3      PRO  37 -12.469  17.133  -7.246
  307    HD2  PRO  37           HD2      PRO  37 -11.568  15.793  -9.684
  308    HD3  PRO  37           HD3      PRO  37 -10.680  16.939  -8.639
  309    HA   PRO  38           HA       PRO  38 -11.184  10.106  -7.958
  310    HB2  PRO  38           HB2      PRO  38 -12.521   8.761  -5.955
  311    HB3  PRO  38           HB3      PRO  38 -10.753   9.078  -5.987
  312    HG2  PRO  38           HG2      PRO  38 -12.896  10.583  -4.503
  313    HG3  PRO  38           HG3      PRO  38 -11.257  10.129  -3.931
  314    HD2  PRO  38           HD2      PRO  38 -11.797  12.627  -4.826
  315    HD3  PRO  38           HD3      PRO  38 -10.242  11.829  -5.224
  316    H    ASP  39           H        ASP  39 -14.116  11.543  -6.555
  317    HA   ASP  39           HA       ASP  39 -15.794   9.570  -7.766
  318    HB2  ASP  39           HB2      ASP  39 -16.484  10.901  -5.806
  319    HB3  ASP  39           HB3      ASP  39 -16.401  12.386  -6.758
  320    H    GLN  40           H        GLN  40 -14.255  12.386  -8.947
  321    HA   GLN  40           HA       GLN  40 -15.978  12.609 -11.386
  322    HB2  GLN  40           HB2      GLN  40 -15.656  14.696 -10.407
  323    HB3  GLN  40           HB3      GLN  40 -14.013  14.342  -9.884
  324    HG2  GLN  40           HG2      GLN  40 -13.119  14.646 -12.079
  325    HG3  GLN  40           HG3      GLN  40 -14.729  14.849 -12.780
  326   HE21  GLN  40          HE21      GLN  40 -16.032  16.812 -11.957
  327   HE22  GLN  40          HE22      GLN  40 -15.125  18.243 -11.492
  328    H    GLN  41           H        GLN  41 -13.422  10.685 -10.444
  329    HA   GLN  41           HA       GLN  41 -11.833  10.969 -12.950
  330    HB2  GLN  41           HB2      GLN  41 -10.982  11.516 -10.594
  331    HB3  GLN  41           HB3      GLN  41 -11.250   9.836 -10.168
  332    HG2  GLN  41           HG2      GLN  41  -9.615   9.325 -12.133
  333    HG3  GLN  41           HG3      GLN  41  -9.250  11.068 -12.038
  334   HE21  GLN  41          HE22      GLN  41  -8.983  11.660  -9.296
  335   HE22  GLN  41          HE21      GLN  41  -7.936  10.509  -8.523
  336    H    ARG  42           H        ARG  42 -11.537   8.961 -14.175
  337    HA   ARG  42           HA       ARG  42 -12.693   6.514 -12.853
  338    HB2  ARG  42           HB2      ARG  42 -13.421   7.663 -15.413
  339    HB3  ARG  42           HB3      ARG  42 -12.658   6.055 -15.671
  340    HG2  ARG  42           HG2      ARG  42 -14.233   4.941 -14.390
  341    HG3  ARG  42           HG3      ARG  42 -14.827   6.430 -13.594
  342    HD2  ARG  42           HD2      ARG  42 -15.830   7.151 -15.771
  343    HD3  ARG  42           HD3      ARG  42 -15.255   5.643 -16.510
  344    HE   ARG  42           HE       ARG  42 -16.827   5.126 -14.133
  345   HH11  ARG  42          HH11      ARG  42 -17.219   5.913 -17.589
  346   HH12  ARG  42          HH12      ARG  42 -18.853   5.314 -17.661
  347   HH21  ARG  42          HH21      ARG  42 -19.016   4.351 -14.276
  348   HH22  ARG  42          HH22      ARG  42 -19.837   4.420 -15.790
  349    H    LEU  43           H        LEU  43 -11.730   4.488 -13.576
  350    HA   LEU  43           HA       LEU  43  -8.870   4.802 -14.331
  351    HB2  LEU  43           HB2      LEU  43  -9.871   4.145 -11.727
  352    HB3  LEU  43           HB3      LEU  43  -9.441   2.600 -12.440
  353    HG   LEU  43           HG       LEU  43  -7.159   3.389 -12.875
  354   HD11  LEU  43          HD11      LEU  43  -7.428   5.825 -13.193
  355   HD12  LEU  43          HD12      LEU  43  -8.160   6.005 -11.598
  356   HD13  LEU  43          HD13      LEU  43  -6.436   5.599 -11.752
  357   HD21  LEU  43          HD21      LEU  43  -8.096   3.954  -9.999
  358   HD22  LEU  43          HD22      LEU  43  -7.746   2.335 -10.677
  359   HD23  LEU  43          HD23      LEU  43  -6.459   3.539 -10.521
  360    H    ILE  44           H        ILE  44  -8.385   3.611 -15.924
  361    HA   ILE  44           HA       ILE  44  -9.895   1.074 -16.493
  362    HB   ILE  44           HB       ILE  44  -8.628   3.053 -18.458
  363   HG12  ILE  44          HG12      ILE  44 -11.339   2.450 -19.104
  364   HG13  ILE  44          HG13      ILE  44 -11.318   2.570 -17.337
  365   HG21  ILE  44          HG21      ILE  44  -8.242   0.771 -19.372
  366   HG22  ILE  44          HG22      ILE  44 -10.022   0.458 -19.222
  367   HG23  ILE  44          HG23      ILE  44  -9.394   1.702 -20.294
  368   HD11  ILE  44          HD11      ILE  44 -10.178   4.714 -17.478
  369   HD12  ILE  44          HD12      ILE  44 -10.245   4.589 -19.267
  370   HD13  ILE  44          HD13      ILE  44 -11.751   4.727 -18.263
  371    H    PHE  45           H        PHE  45  -8.724  -0.659 -17.331
  372    HA   PHE  45           HA       PHE  45  -5.751  -0.491 -17.153
  373    HB2  PHE  45           HB2      PHE  45  -6.540  -1.307 -14.993
  374    HB3  PHE  45           HB3      PHE  45  -7.659  -2.420 -15.788
  375    HD1  PHE  45           HD1      PHE  45  -3.990  -1.673 -16.181
  376    HD2  PHE  45           HD2      PHE  45  -7.020  -4.679 -15.587
  377    HE1  PHE  45           HE1      PHE  45  -2.229  -3.433 -16.156
  378    HE2  PHE  45           HE2      PHE  45  -5.266  -6.432 -15.515
  379    HZ   PHE  45           HZ       PHE  45  -2.879  -5.820 -15.777
  380    H    ALA  46           H        ALA  46  -5.070  -1.311 -19.108
  381    HA   ALA  46           HA       ALA  46  -5.037  -2.458 -21.059
  382    HB1  ALA  46           HB1      ALA  46  -4.981  -4.885 -20.643
  383    HB2  ALA  46           HB2      ALA  46  -4.244  -4.000 -19.281
  384    HB3  ALA  46           HB3      ALA  46  -5.902  -4.638 -19.129
  385    H    GLY  47           H        GLY  47  -7.421  -1.152 -20.922
  386    HA2  GLY  47           HA2      GLY  47  -9.093  -0.950 -22.541
  387    HA3  GLY  47           HA3      GLY  47  -8.896  -2.645 -22.980
  388    H    LYS  48           H        LYS  48  -9.368  -1.918 -19.533
  389    HA   LYS  48           HA       LYS  48 -12.283  -2.216 -19.771
  390    HB2  LYS  48           HB2      LYS  48 -12.538  -4.147 -18.451
  391    HB3  LYS  48           HB3      LYS  48 -11.363  -4.528 -19.703
  392    HG2  LYS  48           HG2      LYS  48  -9.522  -4.278 -18.009
  393    HG3  LYS  48           HG3      LYS  48 -10.742  -3.955 -16.768
  394    HD2  LYS  48           HD2      LYS  48 -10.055  -6.230 -16.588
  395    HD3  LYS  48           HD3      LYS  48 -11.720  -6.210 -17.174
  396    HE2  LYS  48           HE2      LYS  48 -10.881  -6.597 -19.509
  397    HE3  LYS  48           HE3      LYS  48  -9.219  -6.575 -18.908
  398    HZ1  LYS  48           HZ1      LYS  48 -11.298  -8.575 -18.158
  399    HZ2  LYS  48           HZ2      LYS  48 -10.057  -8.830 -19.187
  400    HZ3  LYS  48           HZ3      LYS  48  -9.755  -8.576 -17.603
  401    H    GLN  49           H        GLN  49 -13.366  -1.212 -18.180
  402    HA   GLN  49           HA       GLN  49 -11.931   0.704 -16.537
  403    HB2  GLN  49           HB2      GLN  49 -14.311   0.805 -17.700
  404    HB3  GLN  49           HB3      GLN  49 -14.854  -0.079 -16.282
  405    HG2  GLN  49           HG2      GLN  49 -13.612   1.950 -15.001
  406    HG3  GLN  49           HG3      GLN  49 -13.868   2.765 -16.533
  407   HE21  GLN  49          HE22      GLN  49 -15.320   1.762 -13.559
  408   HE22  GLN  49          HE21      GLN  49 -16.991   2.114 -13.961
  409    H    LEU  50           H        LEU  50 -11.869   0.783 -14.259
  410    HA   LEU  50           HA       LEU  50 -12.471  -1.772 -12.814
  411    HB2  LEU  50           HB2      LEU  50 -10.787   0.469 -11.707
  412    HB3  LEU  50           HB3      LEU  50 -10.838  -1.238 -11.264
  413    HG   LEU  50           HG       LEU  50  -9.490   0.041 -13.646
  414   HD11  LEU  50          HD11      LEU  50  -7.453  -0.813 -12.699
  415   HD12  LEU  50          HD12      LEU  50  -8.316   0.123 -11.469
  416   HD13  LEU  50          HD13      LEU  50  -8.339  -1.669 -11.425
  417   HD21  LEU  50          HD21      LEU  50  -9.959  -1.893 -14.782
  418   HD22  LEU  50          HD22      LEU  50  -8.664  -2.591 -13.790
  419   HD23  LEU  50          HD23      LEU  50 -10.349  -2.790 -13.313
  420    H    GLU  51           H        GLU  51 -13.202  -1.088 -10.360
  421    HA   GLU  51           HA       GLU  51 -14.640   1.468 -10.436
  422    HB2  GLU  51           HB2      GLU  51 -16.736   0.612  -9.654
  423    HB3  GLU  51           HB3      GLU  51 -16.298  -0.259 -11.133
  424    HG2  GLU  51           HG2      GLU  51 -15.374  -2.078  -9.716
  425    HG3  GLU  51           HG3      GLU  51 -15.996  -1.241  -8.274
  426    H    ASP  52           H        ASP  52 -15.314   2.181  -8.271
  427    HA   ASP  52           HA       ASP  52 -12.949   2.541  -6.819
  428    HB2  ASP  52           HB2      ASP  52 -15.866   3.110  -6.249
  429    HB3  ASP  52           HB3      ASP  52 -14.623   3.510  -5.078
  430    H    GLY  53           H        GLY  53 -15.604   0.298  -6.212
  431    HA2  GLY  53           HA2      GLY  53 -14.794  -0.358  -3.535
  432    HA3  GLY  53           HA3      GLY  53 -16.046  -1.141  -4.511
  433    H    ARG  54           H        ARG  54 -13.073  -1.153  -6.205
  434    HA   ARG  54           HA       ARG  54 -12.608  -4.030  -5.470
  435    HB2  ARG  54           HB2      ARG  54 -12.414  -2.545  -8.095
  436    HB3  ARG  54           HB3      ARG  54 -12.090  -4.291  -7.871
  437    HG2  ARG  54           HG2      ARG  54 -14.747  -2.849  -7.518
  438    HG3  ARG  54           HG3      ARG  54 -14.282  -3.767  -8.942
  439    HD2  ARG  54           HD2      ARG  54 -14.482  -5.096  -6.240
  440    HD3  ARG  54           HD3      ARG  54 -15.917  -4.778  -7.218
  441    HE   ARG  54           HE       ARG  54 -13.846  -6.751  -7.678
  442   HH11  ARG  54          HH11      ARG  54 -16.577  -4.975  -9.259
  443   HH12  ARG  54          HH12      ARG  54 -16.726  -6.159 -10.505
  444   HH21  ARG  54          HH21      ARG  54 -13.859  -8.015  -9.504
  445   HH22  ARG  54          HH22      ARG  54 -15.185  -7.979 -10.636
  446    H    THR  55           H        THR  55 -10.307  -4.681  -6.487
  447    HA   THR  55           HA       THR  55  -8.377  -2.588  -5.581
  448    HB   THR  55           HB       THR  55  -7.171  -4.473  -4.558
  449    HG1  THR  55           HG1      THR  55  -7.913  -6.466  -4.696
  450   HG21  THR  55          HG21      THR  55  -8.463  -3.119  -3.067
  451   HG22  THR  55          HG22      THR  55  -9.946  -4.063  -3.390
  452   HG23  THR  55          HG23      THR  55  -8.564  -4.802  -2.549
  453    H    LEU  56           H        LEU  56  -6.145  -3.250  -6.128
  454    HA   LEU  56           HA       LEU  56  -6.061  -3.504  -9.015
  455    HB2  LEU  56           HB2      LEU  56  -3.731  -3.849  -7.062
  456    HB3  LEU  56           HB3      LEU  56  -3.624  -3.427  -8.753
  457    HG   LEU  56           HG       LEU  56  -4.775  -1.704  -6.534
  458   HD11  LEU  56          HD11      LEU  56  -2.904  -0.221  -7.078
  459   HD12  LEU  56          HD12      LEU  56  -2.347  -1.810  -6.540
  460   HD13  LEU  56          HD13      LEU  56  -2.295  -1.405  -8.276
  461   HD21  LEU  56          HD21      LEU  56  -4.530  -1.199  -9.551
  462   HD22  LEU  56          HD22      LEU  56  -6.037  -1.289  -8.606
  463   HD23  LEU  56          HD23      LEU  56  -4.922   0.056  -8.368
  464    H    SER  57           H        SER  57  -5.415  -5.749  -6.362
  465    HA   SER  57           HA       SER  57  -4.735  -8.043  -7.818
  466    HB2  SER  57           HB2      SER  57  -5.677  -9.173  -5.748
  467    HB3  SER  57           HB3      SER  57  -4.374  -7.978  -5.499
  468    HG   SER  57           HG       SER  57  -6.155  -7.778  -4.006
  469    H    ASP  58           H        ASP  58  -8.008  -6.623  -7.195
  470    HA   ASP  58           HA       ASP  58  -9.512  -8.953  -7.850
  471    HB2  ASP  58           HB2      ASP  58 -10.218  -6.675  -6.829
  472    HB3  ASP  58           HB3      ASP  58 -10.373  -6.123  -8.488
  473    H    TYR  59           H        TYR  59  -7.696  -6.639  -9.651
  474    HA   TYR  59           HA       TYR  59  -8.708  -7.600 -12.292
  475    HB2  TYR  59           HB2      TYR  59  -7.446  -4.984 -11.462
  476    HB3  TYR  59           HB3      TYR  59  -7.772  -5.417 -13.137
  477    HD1  TYR  59           HD2      TYR  59 -10.200  -6.078 -13.760
  478    HD2  TYR  59           HD1      TYR  59  -9.169  -3.928 -10.139
  479    HE1  TYR  59           HE2      TYR  59 -12.546  -5.353 -13.525
  480    HE2  TYR  59           HE1      TYR  59 -11.505  -3.302  -9.860
  481    HH   TYR  59           HH       TYR  59 -14.105  -4.196 -12.187
  482    H    ASN  60           H        ASN  60  -6.434  -8.415 -10.256
  483    HA   ASN  60           HA       ASN  60  -4.576  -9.584 -10.315
  484    HB2  ASN  60           HB2      ASN  60  -6.063 -10.667 -12.256
  485    HB3  ASN  60           HB3      ASN  60  -4.719 -10.136 -13.269
  486   HD21  ASN  60          HD22      ASN  60  -5.490 -11.861 -10.205
  487   HD22  ASN  60          HD21      ASN  60  -4.172 -13.015 -10.302
  488    H    ILE  61           H        ILE  61  -4.506  -6.698 -11.047
  489    HA   ILE  61           HA       ILE  61  -2.068  -6.153 -12.529
  490    HB   ILE  61           HB       ILE  61  -3.700  -4.730 -10.409
  491   HG12  ILE  61          HG12      ILE  61  -3.568  -3.867 -13.299
  492   HG13  ILE  61          HG13      ILE  61  -4.675  -5.146 -12.816
  493   HG21  ILE  61          HG21      ILE  61  -2.522  -2.606 -11.058
  494   HG22  ILE  61          HG22      ILE  61  -1.422  -3.768 -10.336
  495   HG23  ILE  61          HG23      ILE  61  -1.455  -3.553 -12.106
  496   HD11  ILE  61          HD11      ILE  61  -5.746  -3.692 -11.181
  497   HD12  ILE  61          HD12      ILE  61  -4.659  -2.373 -11.595
  498   HD13  ILE  61          HD13      ILE  61  -5.803  -2.989 -12.814
  499    H    GLN  62           H        GLN  62   0.007  -5.968 -11.633
  500    HA   GLN  62           HA       GLN  62   0.405  -6.671  -8.765
  501    HB2  GLN  62           HB2      GLN  62   2.028  -7.573 -11.190
  502    HB3  GLN  62           HB3      GLN  62   2.454  -7.907  -9.511
  503    HG2  GLN  62           HG2      GLN  62  -0.160  -8.804 -10.758
  504    HG3  GLN  62           HG3      GLN  62   1.300  -9.774 -10.791
  505   HE21  GLN  62          HE22      GLN  62  -1.254  -8.461  -8.630
  506   HE22  GLN  62          HE21      GLN  62  -0.879  -9.550  -7.301
  507    H    LYS  63           H        LYS  63   3.108  -6.065  -8.601
  508    HA   LYS  63           HA       LYS  63   3.316  -3.271  -8.733
  509    HB2  LYS  63           HB2      LYS  63   5.611  -3.649  -8.110
  510    HB3  LYS  63           HB3      LYS  63   4.669  -4.947  -7.333
  511    HG2  LYS  63           HG2      LYS  63   5.358  -6.429  -9.295
  512    HG3  LYS  63           HG3      LYS  63   6.472  -5.126  -9.761
  513    HD2  LYS  63           HD2      LYS  63   7.448  -5.233  -7.414
  514    HD3  LYS  63           HD3      LYS  63   6.435  -6.678  -7.141
  515    HE2  LYS  63           HE2      LYS  63   7.558  -7.751  -9.130
  516    HE3  LYS  63           HE3      LYS  63   8.585  -6.306  -9.278
  517    HZ1  LYS  63           HZ1      LYS  63   8.547  -8.146  -6.944
  518    HZ2  LYS  63           HZ2      LYS  63   9.708  -8.084  -8.089
  519    HZ3  LYS  63           HZ3      LYS  63   9.503  -6.818  -7.088
  520    H    GLU  64           H        GLU  64   4.758  -2.047  -9.898
  521    HA   GLU  64           HA       GLU  64   5.357  -1.040 -11.761
  522    HB2  GLU  64           HB2      GLU  64   6.993  -3.594 -12.020
  523    HB3  GLU  64           HB3      GLU  64   7.297  -2.084 -12.916
  524    HG2  GLU  64           HG2      GLU  64   7.367  -0.887 -10.704
  525    HG3  GLU  64           HG3      GLU  64   7.394  -2.459  -9.901
  526    H    SER  65           H        SER  65   3.006  -1.675 -12.038
  527    HA   SER  65           HA       SER  65   2.650  -2.834 -14.809
  528    HB2  SER  65           HB2      SER  65   0.821  -3.165 -12.408
  529    HB3  SER  65           HB3      SER  65   0.415  -3.624 -14.065
  530    HG   SER  65           HG       SER  65   2.632  -4.654 -12.599
  531    H    THR  66           H        THR  66   0.958  -1.854 -16.012
  532    HA   THR  66           HA       THR  66   0.810   0.998 -15.332
  533    HB   THR  66           HB       THR  66   0.499  -0.345 -18.046
  534    HG1  THR  66           HG1      THR  66   2.664   0.028 -18.327
  535   HG21  THR  66          HG21      THR  66  -0.391   2.008 -18.010
  536   HG22  THR  66          HG22      THR  66   1.188   2.568 -17.415
  537   HG23  THR  66          HG23      THR  66   1.043   1.836 -19.024
  538    H    LEU  67           H        LEU  67  -1.029   2.165 -15.494
  539    HA   LEU  67           HA       LEU  67  -3.676   0.852 -15.855
  540    HB2  LEU  67           HB2      LEU  67  -2.392   1.908 -13.483
  541    HB3  LEU  67           HB3      LEU  67  -3.529   3.142 -14.038
  542    HG   LEU  67           HG       LEU  67  -5.335   1.471 -14.009
  543   HD11  LEU  67          HD11      LEU  67  -4.980  -0.641 -12.851
  544   HD12  LEU  67          HD12      LEU  67  -3.839  -0.580 -14.196
  545   HD13  LEU  67          HD13      LEU  67  -3.247  -0.263 -12.566
  546   HD21  LEU  67          HD21      LEU  67  -3.827   1.794 -11.376
  547   HD22  LEU  67          HD22      LEU  67  -4.870   3.020 -12.134
  548   HD23  LEU  67          HD23      LEU  67  -5.563   1.473 -11.574
  549    H    HIS  68           H        HIS  68  -5.417   2.726 -16.075
  550    HA   HIS  68           HA       HIS  68  -4.254   4.963 -17.723
  551    HB2  HIS  68           HB2      HIS  68  -6.457   2.988 -18.231
  552    HB3  HIS  68           HB3      HIS  68  -6.661   4.629 -18.836
  553    HD2  HIS  68           HD2      HIS  68  -4.973   5.503 -20.664
  554    HE1  HIS  68           HE1      HIS  68  -3.483   1.701 -21.861
  555    H    LEU  69           H        LEU  69  -4.970   7.085 -17.034
  556    HA   LEU  69           HA       LEU  69  -7.214   7.160 -15.030
  557    HB2  LEU  69           HB2      LEU  69  -5.093   8.157 -14.306
  558    HB3  LEU  69           HB3      LEU  69  -4.907   8.968 -15.851
  559    HG   LEU  69           HG       LEU  69  -5.284  10.398 -13.932
  560   HD11  LEU  69          HD11      LEU  69  -7.458  10.903 -15.974
  561   HD12  LEU  69          HD12      LEU  69  -6.562  12.048 -14.987
  562   HD13  LEU  69          HD13      LEU  69  -5.732  11.184 -16.280
  563   HD21  LEU  69          HD21      LEU  69  -8.192   9.574 -14.042
  564   HD22  LEU  69          HD22      LEU  69  -7.024   8.948 -12.844
  565   HD23  LEU  69          HD23      LEU  69  -7.347  10.694 -12.943
  566    H    VAL  70           H        VAL  70  -9.112   8.044 -15.739
  567    HA   VAL  70           HA       VAL  70  -8.955   9.985 -18.029
  568    HB   VAL  70           HB       VAL  70 -10.860   9.149 -19.070
  569   HG11  VAL  70          HG11      VAL  70 -10.350   6.890 -19.735
  570   HG12  VAL  70          HG12      VAL  70  -8.833   7.782 -19.470
  571   HG13  VAL  70          HG13      VAL  70  -9.344   6.633 -18.269
  572   HG21  VAL  70          HG21      VAL  70 -12.344   8.558 -17.212
  573   HG22  VAL  70          HG22      VAL  70 -12.229   7.181 -18.309
  574   HG23  VAL  70          HG23      VAL  70 -11.257   7.185 -16.814
  575    H    LEU  71           H        LEU  71 -10.935  11.313 -18.104
  576    HA   LEU  71           HA       LEU  71 -11.742  12.132 -15.352
  577    HB2  LEU  71           HB2      LEU  71 -10.439  13.673 -16.887
  578    HB3  LEU  71           HB3      LEU  71 -11.800  13.604 -18.006
  579    HG   LEU  71           HG       LEU  71 -11.426  15.643 -16.442
  580   HD11  LEU  71          HD11      LEU  71 -13.936  16.000 -16.421
  581   HD12  LEU  71          HD12      LEU  71 -13.209  15.605 -17.983
  582   HD13  LEU  71          HD13      LEU  71 -14.102  14.358 -17.124
  583   HD21  LEU  71          HD21      LEU  71 -13.105  13.964 -14.537
  584   HD22  LEU  71          HD22      LEU  71 -11.390  14.340 -14.307
  585   HD23  LEU  71          HD23      LEU  71 -12.574  15.646 -14.351
  586    H    ARG  72           H        ARG  72 -13.796  11.630 -14.933
  587    HA   ARG  72           HA       ARG  72 -15.711  11.257 -17.178
  588    HB2  ARG  72           HB2      ARG  72 -16.872   9.581 -15.998
  589    HB3  ARG  72           HB3      ARG  72 -15.168   9.168 -15.924
  590    HG2  ARG  72           HG2      ARG  72 -15.148   9.198 -13.627
  591    HG3  ARG  72           HG3      ARG  72 -16.025  10.729 -13.544
  592    HD2  ARG  72           HD2      ARG  72 -18.148   9.571 -13.991
  593    HD3  ARG  72           HD3      ARG  72 -17.281   8.013 -14.045
  594    HE   ARG  72           HE       ARG  72 -16.917   9.616 -11.588
  595   HH11  ARG  72          HH11      ARG  72 -19.243   7.380 -13.098
  596   HH12  ARG  72          HH12      ARG  72 -19.797   6.746 -11.592
  597   HH21  ARG  72          HH21      ARG  72 -17.776   8.920  -9.641
  598   HH22  ARG  72          HH22      ARG  72 -18.921   7.629  -9.562
  599    H    LEU  73           H        LEU  73 -14.911  13.629 -15.547
  600    HA   LEU  73           HA       LEU  73 -15.847  15.568 -14.932
  601    HB2  LEU  73           HB2      LEU  73 -18.482  14.587 -16.058
  602    HB3  LEU  73           HB3      LEU  73 -17.907  16.223 -15.824
  603    HG   LEU  73           HG       LEU  73 -16.054  15.624 -17.562
  604   HD11  LEU  73          HD11      LEU  73 -17.107  13.969 -19.324
  605   HD12  LEU  73          HD12      LEU  73 -16.127  13.334 -18.055
  606   HD13  LEU  73          HD13      LEU  73 -17.902  13.242 -17.928
  607   HD21  LEU  73          HD21      LEU  73 -17.667  16.241 -19.366
  608   HD22  LEU  73          HD22      LEU  73 -19.002  15.973 -18.200
  609   HD23  LEU  73          HD23      LEU  73 -17.800  17.226 -17.916
  610    H    ARG  74           H        ARG  74 -18.193  12.946 -13.886
  611    HA   ARG  74           HA       ARG  74 -18.543  14.385 -11.320
  612    HB2  ARG  74           HB2      ARG  74 -20.873  14.809 -11.714
  613    HB3  ARG  74           HB3      ARG  74 -19.950  15.466 -13.074
  614    HG2  ARG  74           HG2      ARG  74 -20.528  13.420 -14.426
  615    HG3  ARG  74           HG3      ARG  74 -21.546  12.870 -13.093
  616    HD2  ARG  74           HD2      ARG  74 -21.925  15.466 -14.628
  617    HD3  ARG  74           HD3      ARG  74 -22.824  13.983 -14.913
  618    HE   ARG  74           HE       ARG  74 -23.168  15.899 -12.741
  619   HH11  ARG  74          HH21      ARG  74 -23.879  12.530 -13.764
  620   HH12  ARG  74          HH22      ARG  74 -25.304  12.424 -12.790
  621   HH21  ARG  74          HH11      ARG  74 -25.010  15.679 -11.396
  622   HH22  ARG  74          HH12      ARG  74 -25.936  14.224 -11.391
  623    H    GLY  75           H        GLY  75 -20.416  13.168 -10.085
  624    HA2  GLY  75           HA2      GLY  75 -19.685  10.389  -9.892
  625    HA3  GLY  75           HA3      GLY  75 -20.856  11.257  -8.901
  626    H    GLY  76           H        GLY  76 -20.773  10.656 -12.480
  627    HA2  GLY  76           HA2      GLY  76 -22.610   8.678 -12.836
  628    HA3  GLY  76           HA3      GLY  76 -23.631  10.096 -12.516
  629    H1   GLY  -3           H1       GLY  -3 -11.728  25.657 -15.473
  630    H2   GLY  -3           H2       GLY  -3 -10.095  25.693 -15.306
  631    H3   GLY  -3           H3       GLY  -3 -10.884  24.257 -15.309
  632    HA2  GLY  -3           HA2      GLY  -3 -10.713  26.116 -17.584
  633    HA3  GLY  -3           HA3      GLY  -3  -9.787  24.618 -17.435
  634    H    HIS  -2           H        HIS  -2 -11.152  24.783 -19.686
  635    HA   HIS  -2           HA       HIS  -2 -13.865  23.826 -19.635
  636    HB2  HIS  -2           HB2      HIS  -2 -13.345  23.267 -22.053
  637    HB3  HIS  -2           HB3      HIS  -2 -13.154  24.951 -21.573
  638    HD2  HIS  -2           HD2      HIS  -2 -10.827  21.838 -22.155
  639    HE1  HIS  -2           HE1      HIS  -2  -8.604  25.347 -23.100
  640    H    MET  -1           H        MET  -1 -14.602  21.709 -20.272
  641    HA   MET  -1           HA       MET  -1 -13.125  19.467 -19.155
  642    HB2  MET  -1           HB2      MET  -1 -15.683  19.656 -20.806
  643    HB3  MET  -1           HB3      MET  -1 -15.036  18.139 -20.191
  644    HG2  MET  -1           HG2      MET  -1 -15.760  20.525 -18.434
  645    HG3  MET  -1           HG3      MET  -1 -16.807  19.156 -18.746
  646    HE1  MET  -1           HE1      MET  -1 -16.068  20.230 -15.835
  647    HE2  MET  -1           HE2      MET  -1 -17.179  18.870 -16.151
  648    HE3  MET  -1           HE3      MET  -1 -15.837  18.692 -14.986
  649    H    PHE 679           H        PHE 679 -12.448  17.572 -20.443
  650    HA   PHE 679           HA       PHE 679 -10.866  16.818 -21.843
  651    HB2  PHE 679           HB2      PHE 679 -12.643  16.318 -23.181
  652    HB3  PHE 679           HB3      PHE 679 -12.811  17.945 -23.839
  653    HD1  PHE 679           HD2      PHE 679 -10.569  14.973 -23.702
  654    HD2  PHE 679           HD1      PHE 679 -11.744  18.448 -25.935
  655    HE1  PHE 679           HE2      PHE 679  -9.279  14.143 -25.674
  656    HE2  PHE 679           HE1      PHE 679 -10.432  17.651 -27.886
  657    HZ   PHE 679           HZ       PHE 679  -9.192  15.487 -27.759
  658    HA   PRO 680           HA       PRO 680  -8.482  20.808 -22.058
  659    HB2  PRO 680           HB2      PRO 680  -7.031  20.613 -19.772
  660    HB3  PRO 680           HB3      PRO 680  -8.734  21.161 -19.715
  661    HG2  PRO 680           HG2      PRO 680  -7.722  18.308 -19.356
  662    HG3  PRO 680           HG3      PRO 680  -8.706  19.262 -18.185
  663    HD2  PRO 680           HD2      PRO 680  -9.807  17.546 -19.956
  664    HD3  PRO 680           HD3      PRO 680 -10.585  19.111 -19.567
  665    H    SER 681           H        SER 681  -5.893  20.705 -21.730
  666    HA   SER 681           HA       SER 681  -4.703  18.848 -23.390
  667    HB2  SER 681           HB2      SER 681  -3.344  20.277 -21.079
  668    HB3  SER 681           HB3      SER 681  -2.635  19.794 -22.631
  669    HG   SER 681           HG       SER 681  -3.169  22.030 -22.621
  670    H    ASP 682           H        ASP 682  -5.731  18.215 -20.132
  671    HA   ASP 682           HA       ASP 682  -4.032  16.079 -19.350
  672    HB2  ASP 682           HB2      ASP 682  -5.844  17.242 -17.984
  673    HB3  ASP 682           HB3      ASP 682  -7.005  16.253 -18.895
  674    H    ILE 683           H        ILE 683  -5.820  16.148 -22.177
  675    HA   ILE 683           HA       ILE 683  -6.032  13.190 -22.213
  676    HB   ILE 683           HB       ILE 683  -8.063  15.006 -23.476
  677   HG12  ILE 683          HG12      ILE 683  -8.196  15.661 -21.041
  678   HG13  ILE 683          HG13      ILE 683  -9.626  14.893 -21.682
  679   HG21  ILE 683          HG21      ILE 683  -7.850  12.567 -24.008
  680   HG22  ILE 683          HG22      ILE 683  -8.244  12.263 -22.294
  681   HG23  ILE 683          HG23      ILE 683  -9.418  13.065 -23.332
  682   HD11  ILE 683          HD11      ILE 683  -9.310  12.904 -20.446
  683   HD12  ILE 683          HD12      ILE 683  -7.690  13.382 -19.897
  684   HD13  ILE 683          HD13      ILE 683  -9.126  14.269 -19.362
  685    H    ASP 684           H        ASP 684  -5.263  12.305 -24.127
  686    HA   ASP 684           HA       ASP 684  -4.512  14.021 -26.422
  687    HB2  ASP 684           HB2      ASP 684  -2.506  13.787 -25.061
  688    HB3  ASP 684           HB3      ASP 684  -2.705  12.041 -24.943
  689    HA   PRO 685           HA       PRO 685  -6.771  10.933 -28.607
  690    HB2  PRO 685           HB2      PRO 685  -4.526  11.188 -30.620
  691    HB3  PRO 685           HB3      PRO 685  -6.291  11.044 -30.917
  692    HG2  PRO 685           HG2      PRO 685  -5.134  13.482 -30.935
  693    HG3  PRO 685           HG3      PRO 685  -6.690  13.251 -30.084
  694    HD2  PRO 685           HD2      PRO 685  -3.912  13.429 -28.932
  695    HD3  PRO 685           HD3      PRO 685  -5.452  14.088 -28.303
  696    H    GLN 686           H        GLN 686  -3.181  10.204 -28.429
  697    HA   GLN 686           HA       GLN 686  -3.486   7.553 -29.421
  698    HB2  GLN 686           HB2      GLN 686  -1.340   8.863 -29.232
  699    HB3  GLN 686           HB3      GLN 686  -1.322   8.565 -27.497
  700    HG2  GLN 686           HG2      GLN 686  -1.348   6.412 -29.656
  701    HG3  GLN 686           HG3      GLN 686   0.117   7.018 -28.895
  702   HE21  GLN 686          HE22      GLN 686  -1.438   4.283 -28.926
  703   HE22  GLN 686          HE21      GLN 686  -1.441   3.796 -27.247
  704    H    VAL 687           H        VAL 687  -3.198   8.757 -26.028
  705    HA   VAL 687           HA       VAL 687  -3.564   6.174 -24.860
  706    HB   VAL 687           HB       VAL 687  -4.364   8.804 -23.572
  707   HG11  VAL 687          HG11      VAL 687  -4.876   6.803 -22.344
  708   HG12  VAL 687          HG12      VAL 687  -3.302   6.129 -22.622
  709   HG13  VAL 687          HG13      VAL 687  -3.482   7.546 -21.538
  710   HG21  VAL 687          HG21      VAL 687  -1.985   8.913 -22.725
  711   HG22  VAL 687          HG22      VAL 687  -1.541   7.835 -24.074
  712   HG23  VAL 687          HG23      VAL 687  -2.246   9.442 -24.386
  713    H    PHE 688           H        PHE 688  -5.714   8.746 -25.905
  714    HA   PHE 688           HA       PHE 688  -7.993   7.960 -24.407
  715    HB2  PHE 688           HB2      PHE 688  -7.537  10.099 -25.028
  716    HB3  PHE 688           HB3      PHE 688  -7.443   9.733 -26.754
  717    HD1  PHE 688           HD2      PHE 688 -10.153   8.903 -24.230
  718    HD2  PHE 688           HD1      PHE 688  -9.117  10.673 -28.030
  719    HE1  PHE 688           HE2      PHE 688 -12.560   9.227 -24.742
  720    HE2  PHE 688           HE1      PHE 688 -11.513  10.968 -28.543
  721    HZ   PHE 688           HZ       PHE 688 -13.240  10.239 -26.909
  722    H    TYR 689           H        TYR 689  -6.738   7.136 -27.680
  723    HA   TYR 689           HA       TYR 689  -8.946   5.367 -28.325
  724    HB2  TYR 689           HB2      TYR 689  -6.138   5.629 -29.423
  725    HB3  TYR 689           HB3      TYR 689  -7.420   4.686 -30.172
  726    HD1  TYR 689           HD1      TYR 689  -9.593   7.081 -29.525
  727    HD2  TYR 689           HD2      TYR 689  -5.770   6.803 -31.535
  728    HE1  TYR 689           HE1      TYR 689 -10.159   9.048 -30.876
  729    HE2  TYR 689           HE2      TYR 689  -6.353   8.771 -32.908
  730    HH   TYR 689           HH       TYR 689  -7.956  10.419 -33.375
  731    H    GLU 690           H        GLU 690  -5.915   5.005 -26.490
  732    HA   GLU 690           HA       GLU 690  -5.609   2.202 -26.686
  733    HB2  GLU 690           HB2      GLU 690  -4.072   4.072 -25.696
  734    HB3  GLU 690           HB3      GLU 690  -4.965   3.777 -24.206
  735    HG2  GLU 690           HG2      GLU 690  -3.008   2.455 -24.084
  736    HG3  GLU 690           HG3      GLU 690  -4.305   1.315 -24.426
  737    H    LEU 691           H        LEU 691  -7.655   4.132 -24.508
  738    HA   LEU 691           HA       LEU 691  -8.549   1.857 -22.910
  739    HB2  LEU 691           HB2      LEU 691  -9.541   3.430 -21.579
  740    HB3  LEU 691           HB3      LEU 691  -8.233   4.309 -22.266
  741    HG   LEU 691           HG       LEU 691 -10.343   4.842 -24.064
  742   HD11  LEU 691          HD11      LEU 691 -12.045   3.872 -22.682
  743   HD12  LEU 691          HD12      LEU 691 -11.426   4.653 -21.207
  744   HD13  LEU 691          HD13      LEU 691 -12.172   5.620 -22.498
  745   HD21  LEU 691          HD21      LEU 691  -8.695   6.417 -23.142
  746   HD22  LEU 691          HD22      LEU 691 -10.343   7.053 -22.928
  747   HD23  LEU 691          HD23      LEU 691  -9.475   6.293 -21.558
  748    HA   PRO 692           HA       PRO 692 -11.764   0.325 -25.439
  749    HB2  PRO 692           HB2      PRO 692 -14.017  -0.075 -23.924
  750    HB3  PRO 692           HB3      PRO 692 -12.488  -0.941 -23.585
  751    HG2  PRO 692           HG2      PRO 692 -13.383   1.729 -22.385
  752    HG3  PRO 692           HG3      PRO 692 -13.009   0.207 -21.475
  753    HD2  PRO 692           HD2      PRO 692 -11.146   2.051 -21.773
  754    HD3  PRO 692           HD3      PRO 692 -10.690   0.365 -22.137
  755    H    GLU 693           H        GLU 693 -13.464   0.895 -26.894
  756    HA   GLU 693           HA       GLU 693 -14.017   3.633 -27.161
  757    HB2  GLU 693           HB2      GLU 693 -15.549   3.071 -28.877
  758    HB3  GLU 693           HB3      GLU 693 -14.111   2.057 -29.023
  759    HG2  GLU 693           HG2      GLU 693 -15.291   0.104 -28.343
  760    HG3  GLU 693           HG3      GLU 693 -16.665   1.022 -27.733
  761    H    ALA 694           H        ALA 694 -15.826   1.216 -25.362
  762    HA   ALA 694           HA       ALA 694 -18.301   2.626 -25.193
  763    HB1  ALA 694           HB1      ALA 694 -18.705   0.992 -23.364
  764    HB2  ALA 694           HB2      ALA 694 -17.963   0.244 -24.799
  765    HB3  ALA 694           HB3      ALA 694 -16.961   0.583 -23.364
  766    H    VAL 695           H        VAL 695 -15.487   2.478 -22.956
  767    HA   VAL 695           HA       VAL 695 -16.661   4.419 -21.120
  768    HB   VAL 695           HB       VAL 695 -13.757   3.598 -21.360
  769   HG11  VAL 695          HG11      VAL 695 -13.937   5.599 -20.008
  770   HG12  VAL 695          HG12      VAL 695 -15.347   4.944 -19.140
  771   HG13  VAL 695          HG13      VAL 695 -13.745   4.220 -18.903
  772   HG21  VAL 695          HG21      VAL 695 -15.313   1.611 -20.896
  773   HG22  VAL 695          HG22      VAL 695 -14.111   1.952 -19.655
  774   HG23  VAL 695          HG23      VAL 695 -15.806   2.452 -19.417
  775    H    GLN 696           H        GLN 696 -14.488   4.560 -24.028
  776    HA   GLN 696           HA       GLN 696 -13.967   7.319 -23.792
  777    HB2  GLN 696           HB2      GLN 696 -14.415   5.723 -26.351
  778    HB3  GLN 696           HB3      GLN 696 -13.854   7.379 -26.310
  779    HG2  GLN 696           HG2      GLN 696 -11.778   6.753 -25.231
  780    HG3  GLN 696           HG3      GLN 696 -12.337   5.106 -25.029
  781   HE21  GLN 696          HE22      GLN 696 -11.166   3.812 -26.468
  782   HE22  GLN 696          HE21      GLN 696 -11.050   4.129 -28.181
  783    H    LYS 697           H        LYS 697 -16.784   5.579 -25.177
  784    HA   LYS 697           HA       LYS 697 -18.234   7.744 -26.181
  785    HB2  LYS 697           HB2      LYS 697 -18.699   4.968 -25.771
  786    HB3  LYS 697           HB3      LYS 697 -19.941   5.747 -24.827
  787    HG2  LYS 697           HG2      LYS 697 -21.145   5.973 -26.668
  788    HG3  LYS 697           HG3      LYS 697 -20.003   7.138 -27.298
  789    HD2  LYS 697           HD2      LYS 697 -19.901   4.114 -27.725
  790    HD3  LYS 697           HD3      LYS 697 -20.495   5.310 -28.884
  791    HE2  LYS 697           HE2      LYS 697 -18.220   6.374 -28.915
  792    HE3  LYS 697           HE3      LYS 697 -17.611   5.078 -27.877
  793    HZ1  LYS 697           HZ1      LYS 697 -18.109   3.476 -29.669
  794    HZ2  LYS 697           HZ2      LYS 697 -18.819   4.649 -30.574
  795    HZ3  LYS 697           HZ3      LYS 697 -17.217   4.695 -30.283
  796    H    GLU 698           H        GLU 698 -18.153   6.499 -22.831
  797    HA   GLU 698           HA       GLU 698 -20.042   8.334 -21.717
  798    HB2  GLU 698           HB2      GLU 698 -18.164   6.499 -20.532
  799    HB3  GLU 698           HB3      GLU 698 -17.692   8.071 -19.919
  800    HG2  GLU 698           HG2      GLU 698 -19.222   7.573 -18.347
  801    HG3  GLU 698           HG3      GLU 698 -20.264   8.428 -19.471
  802    H    LEU 699           H        LEU 699 -16.539   8.541 -22.037
  803    HA   LEU 699           HA       LEU 699 -16.121  11.037 -20.813
  804    HB2  LEU 699           HB2      LEU 699 -14.645   9.230 -22.730
  805    HB3  LEU 699           HB3      LEU 699 -14.006  10.811 -22.486
  806    HG   LEU 699           HG       LEU 699 -13.317  10.395 -20.335
  807   HD11  LEU 699          HD11      LEU 699 -14.107   8.631 -18.817
  808   HD12  LEU 699          HD12      LEU 699 -15.398   9.735 -19.248
  809   HD13  LEU 699          HD13      LEU 699 -15.308   8.118 -20.015
  810   HD21  LEU 699          HD21      LEU 699 -12.161   8.950 -21.965
  811   HD22  LEU 699          HD22      LEU 699 -12.255   8.146 -20.390
  812   HD23  LEU 699          HD23      LEU 699 -13.352   7.656 -21.662
  813    H    LEU 700           H        LEU 700 -16.059  10.374 -24.343
  814    HA   LEU 700           HA       LEU 700 -15.838  13.101 -25.021
  815    HB2  LEU 700           HB2      LEU 700 -16.312  12.482 -27.297
  816    HB3  LEU 700           HB3      LEU 700 -15.181  11.366 -26.534
  817    HG   LEU 700           HG       LEU 700 -17.564  10.092 -26.054
  818   HD11  LEU 700          HD11      LEU 700 -17.867  11.270 -28.851
  819   HD12  LEU 700          HD12      LEU 700 -18.950  10.113 -28.044
  820   HD13  LEU 700          HD13      LEU 700 -18.833  11.771 -27.455
  821   HD21  LEU 700          HD21      LEU 700 -16.943   8.549 -27.862
  822   HD22  LEU 700          HD22      LEU 700 -15.880   9.790 -28.580
  823   HD23  LEU 700          HD23      LEU 700 -15.508   9.089 -26.996
  824    H    ALA 701           H        ALA 701 -18.795  11.100 -24.559
  825    HA   ALA 701           HA       ALA 701 -20.508  13.030 -25.794
  826    HB1  ALA 701           HB1      ALA 701 -21.125  10.683 -25.483
  827    HB2  ALA 701           HB2      ALA 701 -21.120  10.899 -23.709
  828    HB3  ALA 701           HB3      ALA 701 -22.316  11.750 -24.712
  829    H    GLU 702           H        GLU 702 -19.685  12.398 -22.340
  830    HA   GLU 702           HA       GLU 702 -21.115  14.662 -21.305
  831    HB2  GLU 702           HB2      GLU 702 -18.744  13.028 -20.313
  832    HB3  GLU 702           HB3      GLU 702 -19.541  14.283 -19.367
  833    HG2  GLU 702           HG2      GLU 702 -20.757  11.691 -20.280
  834    HG3  GLU 702           HG3      GLU 702 -20.222  12.143 -18.653
  835    H    TRP 703           H        TRP 703 -17.697  14.240 -22.378
  836    HA   TRP 703           HA       TRP 703 -16.824  16.693 -21.375
  837    HB2  TRP 703           HB2      TRP 703 -15.950  15.185 -23.870
  838    HB3  TRP 703           HB3      TRP 703 -15.083  16.553 -23.228
  839    HD1  TRP 703           HD1      TRP 703 -15.403  14.933 -20.076
  840    HE1  TRP 703           HE1      TRP 703 -13.728  13.070 -19.639
  841    HE3  TRP 703           HE3      TRP 703 -13.732  14.146 -24.848
  842    HZ2  TRP 703           HZ2      TRP 703 -11.477  11.815 -21.056
  843    HZ3  TRP 703           HZ3      TRP 703 -11.956  12.484 -25.272
  844    HH2  TRP 703           HH2      TRP 703 -10.860  11.298 -23.393
  845    H    LYS 704           H        LYS 704 -18.214  15.808 -24.552
  846    HA   LYS 704           HA       LYS 704 -18.258  18.415 -25.727
  847    HB2  LYS 704           HB2      LYS 704 -18.296  16.448 -27.058
  848    HB3  LYS 704           HB3      LYS 704 -19.661  15.771 -26.205
  849    HG2  LYS 704           HG2      LYS 704 -20.001  18.322 -27.794
  850    HG3  LYS 704           HG3      LYS 704 -19.896  16.768 -28.616
  851    HD2  LYS 704           HD2      LYS 704 -22.000  17.502 -26.545
  852    HD3  LYS 704           HD3      LYS 704 -22.233  17.459 -28.277
  853    HE2  LYS 704           HE2      LYS 704 -21.387  15.011 -26.646
  854    HE3  LYS 704           HE3      LYS 704 -23.071  15.446 -26.943
  855    HZ1  LYS 704           HZ1      LYS 704 -22.360  13.859 -28.589
  856    HZ2  LYS 704           HZ2      LYS 704 -22.658  15.271 -29.338
  857    HZ3  LYS 704           HZ3      LYS 704 -21.114  14.794 -29.085
  858    H    ARG 705           H        ARG 705 -20.742  16.557 -23.875
  859    HA   ARG 705           HA       ARG 705 -22.863  18.402 -24.293
  860    HB2  ARG 705           HB2      ARG 705 -22.277  16.287 -22.186
  861    HB3  ARG 705           HB3      ARG 705 -23.653  17.382 -21.979
  862    HG2  ARG 705           HG2      ARG 705 -24.558  16.736 -24.163
  863    HG3  ARG 705           HG3      ARG 705 -23.205  15.634 -24.422
  864    HD2  ARG 705           HD2      ARG 705 -25.008  14.269 -23.636
  865    HD3  ARG 705           HD3      ARG 705 -23.899  14.430 -22.277
  866    HE   ARG 705           HE       ARG 705 -26.391  16.053 -22.676
  867   HH11  ARG 705          HH11      ARG 705 -24.329  14.186 -20.365
  868   HH12  ARG 705          HH12      ARG 705 -25.319  14.609 -19.026
  869   HH21  ARG 705          HH21      ARG 705 -27.663  16.530 -20.860
  870   HH22  ARG 705          HH22      ARG 705 -27.247  15.918 -19.300
  871    H    THR 706           H        THR 706 -20.540  18.176 -21.575
  872    HA   THR 706           HA       THR 706 -21.754  20.437 -20.250
  873    HB   THR 706           HB       THR 706 -19.767  20.195 -18.713
  874    HG1  THR 706           HG1      THR 706 -19.184  17.878 -20.269
  875   HG21  THR 706          HG21      THR 706 -20.440  18.051 -17.763
  876   HG22  THR 706          HG22      THR 706 -21.872  18.937 -18.294
  877   HG23  THR 706          HG23      THR 706 -21.262  17.588 -19.272
  878    H    GLY 707           H        GLY 707 -19.089  19.936 -22.465
  879    HA2  GLY 707           HA2      GLY 707 -17.422  22.036 -22.273
  880    HA3  GLY 707           HA3      GLY 707 -17.935  21.295 -23.797
  Start of MODEL   15
    1    H1   MET   1           H1       MET   1   3.416  -1.358  -3.015
    2    H2   MET   1           H2       MET   1   4.490  -2.575  -2.725
    3    H3   MET   1           H3       MET   1   4.987  -1.014  -2.729
    4    HA   MET   1           HA       MET   1   5.731  -2.019  -4.754
    5    HB2  MET   1           HB2      MET   1   4.302  -2.950  -6.358
    6    HB3  MET   1           HB3      MET   1   4.054  -3.830  -4.855
    7    HG2  MET   1           HG2      MET   1   1.864  -2.486  -4.661
    8    HG3  MET   1           HG3      MET   1   2.204  -1.889  -6.299
    9    HE1  MET   1           HE1      MET   1  -0.412  -4.495  -7.502
   10    HE2  MET   1           HE2      MET   1  -0.510  -3.114  -6.403
   11    HE3  MET   1           HE3      MET   1   0.400  -2.977  -7.942
   12    H    GLN   2           H        GLN   2   5.169  -1.027  -7.160
   13    HA   GLN   2           HA       GLN   2   3.681   1.519  -6.836
   14    HB2  GLN   2           HB2      GLN   2   5.353   2.764  -7.892
   15    HB3  GLN   2           HB3      GLN   2   6.214   1.748  -6.731
   16    HG2  GLN   2           HG2      GLN   2   6.811   0.187  -8.621
   17    HG3  GLN   2           HG3      GLN   2   6.063   1.314  -9.757
   18   HE21  GLN   2          HE22      GLN   2   8.923   0.596  -9.937
   19   HE22  GLN   2          HE21      GLN   2   9.802   2.042  -9.542
   20    H    ILE   3           H        ILE   3   2.763   2.335  -8.813
   21    HA   ILE   3           HA       ILE   3   2.711   0.450 -11.177
   22    HB   ILE   3           HB       ILE   3   0.243   0.755 -11.323
   23   HG12  ILE   3          HG12      ILE   3   0.274   1.539  -8.378
   24   HG13  ILE   3          HG13      ILE   3   0.361   2.752  -9.627
   25   HG21  ILE   3          HG21      ILE   3  -0.294  -1.090  -9.790
   26   HG22  ILE   3          HG22      ILE   3   1.318  -1.355 -10.475
   27   HG23  ILE   3          HG23      ILE   3   1.162  -0.778  -8.811
   28   HD11  ILE   3          HD11      ILE   3  -1.906   2.526  -8.972
   29   HD12  ILE   3          HD12      ILE   3  -1.689   2.000 -10.654
   30   HD13  ILE   3          HD13      ILE   3  -1.904   0.780  -9.368
   31    H    PHE   4           H        PHE   4   1.797   1.447 -13.047
   32    HA   PHE   4           HA       PHE   4   2.666   4.301 -13.153
   33    HB2  PHE   4           HB2      PHE   4   2.722   2.376 -15.474
   34    HB3  PHE   4           HB3      PHE   4   3.621   3.865 -15.185
   35    HD1  PHE   4           HD2      PHE   4   4.984   3.692 -12.821
   36    HD2  PHE   4           HD1      PHE   4   4.084   0.431 -15.463
   37    HE1  PHE   4           HE2      PHE   4   6.882   2.398 -11.872
   38    HE2  PHE   4           HE1      PHE   4   6.118  -0.769 -14.638
   39    HZ   PHE   4           HZ       PHE   4   7.540   0.244 -12.884
   40    H    VAL   5           H        VAL   5   0.722   5.416 -13.073
   41    HA   VAL   5           HA       VAL   5  -1.552   4.397 -14.712
   42    HB   VAL   5           HB       VAL   5  -1.507   6.738 -12.810
   43   HG11  VAL   5          HG11      VAL   5  -3.234   6.865 -14.541
   44   HG12  VAL   5          HG12      VAL   5  -3.826   5.243 -14.138
   45   HG13  VAL   5          HG13      VAL   5  -3.944   6.555 -12.939
   46   HG21  VAL   5          HG21      VAL   5  -1.061   4.536 -11.671
   47   HG22  VAL   5          HG22      VAL   5  -2.653   5.215 -11.253
   48   HG23  VAL   5          HG23      VAL   5  -2.508   3.882 -12.385
   49    H    LYS   6           H        LYS   6  -1.270   4.812 -16.847
   50    HA   LYS   6           HA       LYS   6   0.050   7.240 -17.806
   51    HB2  LYS   6           HB2      LYS   6  -0.140   4.919 -18.976
   52    HB3  LYS   6           HB3      LYS   6  -1.791   5.415 -19.385
   53    HG2  LYS   6           HG2      LYS   6  -0.668   7.604 -20.323
   54    HG3  LYS   6           HG3      LYS   6   0.855   6.733 -20.119
   55    HD2  LYS   6           HD2      LYS   6  -0.456   4.841 -21.461
   56    HD3  LYS   6           HD3      LYS   6  -1.452   6.223 -22.007
   57    HE2  LYS   6           HE2      LYS   6   0.383   7.278 -23.082
   58    HE3  LYS   6           HE3      LYS   6   1.581   6.349 -22.183
   59    HZ1  LYS   6           HZ1      LYS   6   1.273   5.589 -24.537
   60    HZ2  LYS   6           HZ2      LYS   6   1.072   4.405 -23.441
   61    HZ3  LYS   6           HZ3      LYS   6  -0.240   5.041 -24.160
   62    H    THR   7           H        THR   7  -0.991   9.245 -17.834
   63    HA   THR   7           HA       THR   7  -3.910   9.203 -17.682
   64    HB   THR   7           HB       THR   7  -3.865  11.507 -17.641
   65    HG1  THR   7           HG1      THR   7  -1.913  12.675 -17.825
   66   HG21  THR   7          HG21      THR   7  -1.666  10.524 -15.815
   67   HG22  THR   7          HG22      THR   7  -2.668  11.994 -15.593
   68   HG23  THR   7          HG23      THR   7  -3.424  10.398 -15.530
   69    H    LEU   8           H        LEU   8  -5.152  10.463 -19.115
   70    HA   LEU   8           HA       LEU   8  -4.778   9.379 -21.748
   71    HB2  LEU   8           HB2      LEU   8  -6.671  11.533 -20.872
   72    HB3  LEU   8           HB3      LEU   8  -6.557  10.852 -22.508
   73    HG   LEU   8           HG       LEU   8  -7.594   9.610 -20.004
   74   HD11  LEU   8          HD11      LEU   8  -8.646   9.956 -22.797
   75   HD12  LEU   8          HD12      LEU   8  -9.432   8.904 -21.594
   76   HD13  LEU   8          HD13      LEU   8  -9.267  10.632 -21.271
   77   HD21  LEU   8          HD21      LEU   8  -6.693   8.079 -22.498
   78   HD22  LEU   8          HD22      LEU   8  -6.133   7.817 -20.805
   79   HD23  LEU   8          HD23      LEU   8  -7.757   7.377 -21.269
   80    H    THR   9           H        THR   9  -3.197  12.157 -20.345
   81    HA   THR   9           HA       THR   9  -3.033  13.569 -22.859
   82    HB   THR   9           HB       THR   9  -2.918  14.681 -20.652
   83    HG1  THR   9           HG1      THR   9  -2.270  16.136 -21.901
   84   HG21  THR   9          HG21      THR   9   0.013  14.388 -20.424
   85   HG22  THR   9          HG22      THR   9  -1.248  14.596 -19.179
   86   HG23  THR   9          HG23      THR   9  -0.931  13.002 -19.905
   87    H    GLY  10           H        GLY  10  -1.542  10.758 -21.606
   88    HA2  GLY  10           HA2      GLY  10   0.218   9.510 -22.556
   89    HA3  GLY  10           HA3      GLY  10   0.740  10.940 -23.475
   90    H    LYS  11           H        LYS  11  -0.014  10.749 -19.882
   91    HA   LYS  11           HA       LYS  11   2.938  11.113 -19.395
   92    HB2  LYS  11           HB2      LYS  11   1.908  13.258 -19.075
   93    HB3  LYS  11           HB3      LYS  11   0.613  12.581 -18.090
   94    HG2  LYS  11           HG2      LYS  11   3.460  12.095 -17.223
   95    HG3  LYS  11           HG3      LYS  11   2.827  13.732 -17.051
   96    HD2  LYS  11           HD2      LYS  11   1.812  11.210 -15.707
   97    HD3  LYS  11           HD3      LYS  11   2.657  12.541 -14.957
   98    HE2  LYS  11           HE2      LYS  11  -0.133  12.727 -16.212
   99    HE3  LYS  11           HE3      LYS  11   0.206  12.428 -14.522
  100    HZ1  LYS  11           HZ1      LYS  11  -0.240  14.686 -14.736
  101    HZ2  LYS  11           HZ2      LYS  11   1.350  14.593 -14.419
  102    HZ3  LYS  11           HZ3      LYS  11   0.855  14.950 -15.955
  103    H    THR  12           H        THR  12   3.614   9.310 -18.310
  104    HA   THR  12           HA       THR  12   1.602   7.832 -16.764
  105    HB   THR  12           HB       THR  12   4.419   6.915 -16.905
  106    HG1  THR  12           HG1      THR  12   4.302   6.330 -19.056
  107   HG21  THR  12          HG21      THR  12   1.775   5.562 -17.662
  108   HG22  THR  12          HG22      THR  12   3.285   4.771 -17.208
  109   HG23  THR  12          HG23      THR  12   2.371   5.696 -15.972
  110    H    ILE  13           H        ILE  13   1.156   8.249 -14.807
  111    HA   ILE  13           HA       ILE  13   3.248   9.493 -13.119
  112    HB   ILE  13           HB       ILE  13   1.613  10.858 -12.845
  113   HG12  ILE  13          HG12      ILE  13   1.900   9.298 -10.623
  114   HG13  ILE  13          HG13      ILE  13   1.040  10.810 -10.713
  115   HG21  ILE  13          HG21      ILE  13  -0.099  10.149 -14.294
  116   HG22  ILE  13          HG22      ILE  13  -0.620   8.866 -13.175
  117   HG23  ILE  13          HG23      ILE  13  -0.797  10.598 -12.711
  118   HD11  ILE  13          HD11      ILE  13  -1.081   9.802 -10.608
  119   HD12  ILE  13          HD12      ILE  13  -0.390   8.188 -11.032
  120   HD13  ILE  13          HD13      ILE  13  -0.081   8.928  -9.450
  121    H    THR  14           H        THR  14   4.388   8.141 -11.963
  122    HA   THR  14           HA       THR  14   3.425   5.445 -11.471
  123    HB   THR  14           HB       THR  14   5.922   6.850 -10.548
  124    HG1  THR  14           HG1      THR  14   6.892   6.127 -12.386
  125   HG21  THR  14          HG21      THR  14   5.673   4.792  -9.266
  126   HG22  THR  14          HG22      THR  14   5.114   3.865 -10.661
  127   HG23  THR  14          HG23      THR  14   6.806   4.378 -10.569
  128    H    LEU  15           H        LEU  15   2.776   4.726  -9.361
  129    HA   LEU  15           HA       LEU  15   3.085   6.597  -7.124
  130    HB2  LEU  15           HB2      LEU  15   0.813   6.527  -6.446
  131    HB3  LEU  15           HB3      LEU  15   0.885   7.200  -8.087
  132    HG   LEU  15           HG       LEU  15   0.254   4.266  -7.902
  133   HD11  LEU  15          HD11      LEU  15  -1.738   6.461  -7.220
  134   HD12  LEU  15          HD12      LEU  15  -2.086   4.723  -7.378
  135   HD13  LEU  15          HD13      LEU  15  -1.069   5.285  -6.044
  136   HD21  LEU  15          HD21      LEU  15   0.371   5.392 -10.038
  137   HD22  LEU  15          HD22      LEU  15  -1.263   4.812  -9.586
  138   HD23  LEU  15          HD23      LEU  15  -0.872   6.548  -9.503
  139    H    GLU  16           H        GLU  16   2.632   5.581  -5.042
  140    HA   GLU  16           HA       GLU  16   3.367   2.735  -5.244
  141    HB2  GLU  16           HB2      GLU  16   3.899   4.859  -3.155
  142    HB3  GLU  16           HB3      GLU  16   3.992   3.129  -2.751
  143    HG2  GLU  16           HG2      GLU  16   5.576   2.741  -4.578
  144    HG3  GLU  16           HG3      GLU  16   5.528   4.446  -5.023
  145    H    VAL  17           H        VAL  17   2.193   1.241  -4.461
  146    HA   VAL  17           HA       VAL  17  -0.389   1.704  -3.061
  147    HB   VAL  17           HB       VAL  17  -1.621   0.551  -4.845
  148   HG11  VAL  17          HG11      VAL  17  -0.061   2.833  -6.114
  149   HG12  VAL  17          HG12      VAL  17  -1.662   2.237  -6.568
  150   HG13  VAL  17          HG13      VAL  17  -1.443   3.022  -4.997
  151   HG21  VAL  17          HG21      VAL  17  -0.580   0.077  -7.045
  152   HG22  VAL  17          HG22      VAL  17   1.018   0.521  -6.403
  153   HG23  VAL  17          HG23      VAL  17   0.126  -0.888  -5.774
  154    H    GLU  18           H        GLU  18  -1.451  -0.773  -3.375
  155    HA   GLU  18           HA       GLU  18   0.579  -2.858  -2.872
  156    HB2  GLU  18           HB2      GLU  18  -1.927  -2.470  -1.166
  157    HB3  GLU  18           HB3      GLU  18  -0.783  -3.798  -1.035
  158    HG2  GLU  18           HG2      GLU  18  -0.304  -0.876  -0.366
  159    HG3  GLU  18           HG3      GLU  18  -0.489  -2.204   0.774
  160    HA   PRO  19           HA       PRO  19  -2.257  -4.818  -5.745
  161    HB2  PRO  19           HB2      PRO  19  -2.283  -7.308  -4.106
  162    HB3  PRO  19           HB3      PRO  19  -1.858  -7.083  -5.841
  163    HG2  PRO  19           HG2      PRO  19   0.026  -7.523  -3.883
  164    HG3  PRO  19           HG3      PRO  19   0.335  -6.526  -5.336
  165    HD2  PRO  19           HD2      PRO  19  -0.232  -5.631  -2.525
  166    HD3  PRO  19           HD3      PRO  19   0.816  -4.892  -3.778
  167    H    SER  20           H        SER  20  -2.957  -4.874  -2.253
  168    HA   SER  20           HA       SER  20  -5.828  -5.445  -2.752
  169    HB2  SER  20           HB2      SER  20  -4.293  -5.302  -0.127
  170    HB3  SER  20           HB3      SER  20  -5.941  -5.919  -0.376
  171    HG   SER  20           HG       SER  20  -4.373  -7.614  -0.252
  172    H    ASP  21           H        ASP  21  -4.017  -2.817  -3.115
  173    HA   ASP  21           HA       ASP  21  -5.500  -1.071  -1.400
  174    HB2  ASP  21           HB2      ASP  21  -3.182  -0.581  -2.353
  175    HB3  ASP  21           HB3      ASP  21  -3.994  -0.288  -3.910
  176    H    THR  22           H        THR  22  -7.369   0.012  -1.994
  177    HA   THR  22           HA       THR  22  -8.878  -1.174  -4.154
  178    HB   THR  22           HB       THR  22 -10.664   0.489  -3.458
  179    HG1  THR  22           HG1      THR  22 -10.312   1.311  -1.262
  180   HG21  THR  22          HG21      THR  22  -9.673  -1.569  -1.472
  181   HG22  THR  22          HG22      THR  22 -11.305  -0.845  -1.504
  182   HG23  THR  22          HG23      THR  22 -10.762  -1.817  -2.878
  183    H    ILE  23           H        ILE  23  -9.684  -0.245  -5.895
  184    HA   ILE  23           HA       ILE  23  -8.378   1.768  -7.329
  185    HB   ILE  23           HB       ILE  23 -11.324   1.139  -7.304
  186   HG12  ILE  23          HG12      ILE  23 -10.553  -0.914  -7.874
  187   HG13  ILE  23          HG13      ILE  23 -10.538  -0.158  -9.478
  188   HG21  ILE  23          HG21      ILE  23  -9.677   2.356  -9.552
  189   HG22  ILE  23          HG22      ILE  23 -11.407   1.939  -9.628
  190   HG23  ILE  23          HG23      ILE  23 -10.861   3.224  -8.560
  191   HD11  ILE  23          HD11      ILE  23  -8.573  -1.463  -9.231
  192   HD12  ILE  23          HD12      ILE  23  -8.084   0.250  -9.213
  193   HD13  ILE  23          HD13      ILE  23  -8.147  -0.706  -7.706
  194    H    GLU  24           H        GLU  24 -11.116   2.311  -4.953
  195    HA   GLU  24           HA       GLU  24 -11.378   5.051  -5.429
  196    HB2  GLU  24           HB2      GLU  24 -12.807   3.605  -3.928
  197    HB3  GLU  24           HB3      GLU  24 -11.536   3.656  -2.713
  198    HG2  GLU  24           HG2      GLU  24 -11.761   6.126  -2.581
  199    HG3  GLU  24           HG3      GLU  24 -12.984   6.092  -3.851
  200    H    ASN  25           H        ASN  25  -9.041   3.381  -3.284
  201    HA   ASN  25           HA       ASN  25  -8.020   5.927  -2.262
  202    HB2  ASN  25           HB2      ASN  25  -8.082   3.826  -0.903
  203    HB3  ASN  25           HB3      ASN  25  -6.915   3.117  -2.021
  204   HD21  ASN  25          HD22      ASN  25  -5.157   2.912  -0.711
  205   HD22  ASN  25          HD21      ASN  25  -4.419   4.207   0.241
  206    H    VAL  26           H        VAL  26  -7.078   3.572  -4.764
  207    HA   VAL  26           HA       VAL  26  -4.585   4.720  -5.518
  208    HB   VAL  26           HB       VAL  26  -6.777   3.174  -6.894
  209   HG11  VAL  26          HG11      VAL  26  -4.111   3.922  -8.137
  210   HG12  VAL  26          HG12      VAL  26  -5.258   2.722  -8.779
  211   HG13  VAL  26          HG13      VAL  26  -5.736   4.429  -8.666
  212   HG21  VAL  26          HG21      VAL  26  -5.378   1.265  -6.674
  213   HG22  VAL  26          HG22      VAL  26  -3.962   2.253  -6.220
  214   HG23  VAL  26          HG23      VAL  26  -5.322   2.069  -5.114
  215    H    LYS  27           H        LYS  27  -7.956   5.389  -6.828
  216    HA   LYS  27           HA       LYS  27  -7.179   7.588  -8.401
  217    HB2  LYS  27           HB2      LYS  27  -9.744   7.201  -6.755
  218    HB3  LYS  27           HB3      LYS  27  -9.535   8.475  -7.950
  219    HG2  LYS  27           HG2      LYS  27  -9.395   6.730  -9.741
  220    HG3  LYS  27           HG3      LYS  27  -9.754   5.496  -8.523
  221    HD2  LYS  27           HD2      LYS  27 -11.770   6.963  -7.846
  222    HD3  LYS  27           HD3      LYS  27 -11.443   7.898  -9.310
  223    HE2  LYS  27           HE2      LYS  27 -11.876   5.914 -10.690
  224    HE3  LYS  27           HE3      LYS  27 -12.162   4.959  -9.215
  225    HZ1  LYS  27           HZ1      LYS  27 -14.254   5.886 -10.254
  226    HZ2  LYS  27           HZ2      LYS  27 -14.062   6.266  -8.683
  227    HZ3  LYS  27           HZ3      LYS  27 -13.753   7.410  -9.846
  228    H    ALA  28           H        ALA  28  -7.823   7.521  -4.845
  229    HA   ALA  28           HA       ALA  28  -7.744  10.372  -4.538
  230    HB1  ALA  28           HB1      ALA  28  -7.004   8.240  -2.485
  231    HB2  ALA  28           HB2      ALA  28  -7.452   9.921  -2.170
  232    HB3  ALA  28           HB3      ALA  28  -8.662   8.797  -2.830
  233    H    LYS  29           H        LYS  29  -5.172   7.868  -4.642
  234    HA   LYS  29           HA       LYS  29  -3.021   9.735  -4.040
  235    HB2  LYS  29           HB2      LYS  29  -3.059   7.067  -5.468
  236    HB3  LYS  29           HB3      LYS  29  -1.587   7.999  -5.123
  237    HG2  LYS  29           HG2      LYS  29  -1.950   7.875  -2.746
  238    HG3  LYS  29           HG3      LYS  29  -3.573   7.188  -2.954
  239    HD2  LYS  29           HD2      LYS  29  -2.670   5.156  -3.928
  240    HD3  LYS  29           HD3      LYS  29  -1.017   5.793  -3.855
  241    HE2  LYS  29           HE2      LYS  29  -2.560   5.864  -1.295
  242    HE3  LYS  29           HE3      LYS  29  -2.205   4.237  -1.906
  243    HZ1  LYS  29           HZ1      LYS  29  -0.155   6.334  -1.359
  244    HZ2  LYS  29           HZ2      LYS  29  -0.432   5.011  -0.445
  245    HZ3  LYS  29           HZ3      LYS  29   0.167   4.836  -1.971
  246    H    ILE  30           H        ILE  30  -4.728   8.737  -7.069
  247    HA   ILE  30           HA       ILE  30  -3.033  10.328  -8.763
  248    HB   ILE  30           HB       ILE  30  -5.974   9.872  -9.251
  249   HG12  ILE  30          HG12      ILE  30  -5.257   7.670  -8.939
  250   HG13  ILE  30          HG13      ILE  30  -5.284   7.897 -10.672
  251   HG21  ILE  30          HG21      ILE  30  -5.182   9.942 -11.659
  252   HG22  ILE  30          HG22      ILE  30  -4.991  11.460 -10.779
  253   HG23  ILE  30          HG23      ILE  30  -3.578  10.399 -11.052
  254   HD11  ILE  30          HD11      ILE  30  -3.427   6.608  -9.692
  255   HD12  ILE  30          HD12      ILE  30  -2.863   7.985 -10.713
  256   HD13  ILE  30          HD13      ILE  30  -2.784   8.071  -8.938
  257    H    GLN  31           H        GLN  31  -5.893  11.235  -6.875
  258    HA   GLN  31           HA       GLN  31  -6.089  13.924  -7.692
  259    HB2  GLN  31           HB2      GLN  31  -7.724  12.706  -6.225
  260    HB3  GLN  31           HB3      GLN  31  -6.569  12.887  -4.901
  261    HG2  GLN  31           HG2      GLN  31  -6.812  15.516  -5.690
  262    HG3  GLN  31           HG3      GLN  31  -8.414  14.921  -6.062
  263   HE21  GLN  31          HE22      GLN  31  -9.749  14.058  -4.233
  264   HE22  GLN  31          HE21      GLN  31  -9.301  14.443  -2.595
  265    H    ASP  32           H        ASP  32  -3.948  12.352  -5.298
  266    HA   ASP  32           HA       ASP  32  -2.702  14.784  -4.402
  267    HB2  ASP  32           HB2      ASP  32  -2.387  12.854  -3.068
  268    HB3  ASP  32           HB3      ASP  32  -1.752  11.914  -4.394
  269    H    LYS  33           H        LYS  33  -2.093  12.621  -7.249
  270    HA   LYS  33           HA       LYS  33   0.389  14.050  -7.811
  271    HB2  LYS  33           HB2      LYS  33  -0.935  11.809  -9.306
  272    HB3  LYS  33           HB3      LYS  33   0.745  12.358  -9.389
  273    HG2  LYS  33           HG2      LYS  33   0.007  11.600  -6.618
  274    HG3  LYS  33           HG3      LYS  33  -0.381  10.328  -7.724
  275    HD2  LYS  33           HD2      LYS  33   1.840  10.019  -6.757
  276    HD3  LYS  33           HD3      LYS  33   1.934  10.201  -8.495
  277    HE2  LYS  33           HE2      LYS  33   3.707  11.496  -7.728
  278    HE3  LYS  33           HE3      LYS  33   2.463  12.674  -8.122
  279    HZ1  LYS  33           HZ1      LYS  33   3.395  13.217  -5.972
  280    HZ2  LYS  33           HZ2      LYS  33   1.895  12.645  -5.620
  281    HZ3  LYS  33           HZ3      LYS  33   3.215  11.701  -5.406
  282    H    GLU  34           H        GLU  34  -2.833  13.956  -9.054
  283    HA   GLU  34           HA       GLU  34  -2.167  15.627 -11.400
  284    HB2  GLU  34           HB2      GLU  34  -4.414  13.632 -10.806
  285    HB3  GLU  34           HB3      GLU  34  -4.267  14.551 -12.308
  286    HG2  GLU  34           HG2      GLU  34  -2.426  12.388 -11.260
  287    HG3  GLU  34           HG3      GLU  34  -3.378  12.388 -12.748
  288    H    GLY  35           H        GLY  35  -4.420  15.316  -8.672
  289    HA2  GLY  35           HA2      GLY  35  -5.277  17.207  -7.559
  290    HA3  GLY  35           HA3      GLY  35  -5.249  18.137  -9.062
  291    H    ILE  36           H        ILE  36  -6.559  14.925  -9.457
  292    HA   ILE  36           HA       ILE  36  -9.178  16.219  -9.944
  293    HB   ILE  36           HB       ILE  36  -7.984  13.591 -10.857
  294   HG12  ILE  36          HG12      ILE  36  -8.347  16.213 -12.416
  295   HG13  ILE  36          HG13      ILE  36  -6.803  15.681 -11.751
  296   HG21  ILE  36          HG21      ILE  36  -9.872  13.469 -12.419
  297   HG22  ILE  36          HG22      ILE  36 -10.539  13.708 -10.807
  298   HG23  ILE  36          HG23      ILE  36 -10.434  15.086 -11.911
  299   HD11  ILE  36          HD11      ILE  36  -6.966  13.590 -13.040
  300   HD12  ILE  36          HD12      ILE  36  -8.406  14.262 -13.872
  301   HD13  ILE  36          HD13      ILE  36  -6.819  15.058 -14.027
  302    HA   PRO  37           HA       PRO  37 -10.492  13.906  -6.294
  303    HB2  PRO  37           HB2      PRO  37 -13.274  14.390  -6.596
  304    HB3  PRO  37           HB3      PRO  37 -12.083  15.373  -5.685
  305    HG2  PRO  37           HG2      PRO  37 -13.369  15.949  -8.274
  306    HG3  PRO  37           HG3      PRO  37 -12.498  17.040  -7.167
  307    HD2  PRO  37           HD2      PRO  37 -11.519  15.872  -9.623
  308    HD3  PRO  37           HD3      PRO  37 -10.629  16.895  -8.461
  309    HA   PRO  38           HA       PRO  38 -11.304  10.036  -8.010
  310    HB2  PRO  38           HB2      PRO  38 -12.710   8.649  -6.109
  311    HB3  PRO  38           HB3      PRO  38 -10.947   9.003  -6.024
  312    HG2  PRO  38           HG2      PRO  38 -13.223  10.469  -4.671
  313    HG3  PRO  38           HG3      PRO  38 -11.641   9.987  -3.975
  314    HD2  PRO  38           HD2      PRO  38 -12.082  12.511  -4.875
  315    HD3  PRO  38           HD3      PRO  38 -10.506  11.697  -5.148
  316    H    ASP  39           H        ASP  39 -14.287  11.521  -6.754
  317    HA   ASP  39           HA       ASP  39 -15.925   9.675  -8.273
  318    HB2  ASP  39           HB2      ASP  39 -16.856  10.850  -6.347
  319    HB3  ASP  39           HB3      ASP  39 -16.563  12.424  -7.114
  320    H    GLN  40           H        GLN  40 -14.133  12.495  -9.005
  321    HA   GLN  40           HA       GLN  40 -15.566  13.115 -11.529
  322    HB2  GLN  40           HB2      GLN  40 -14.594  14.810  -9.887
  323    HB3  GLN  40           HB3      GLN  40 -12.984  14.244 -10.291
  324    HG2  GLN  40           HG2      GLN  40 -13.034  15.130 -12.429
  325    HG3  GLN  40           HG3      GLN  40 -14.798  15.218 -12.496
  326   HE21  GLN  40          HE22      GLN  40 -15.820  16.750 -10.851
  327   HE22  GLN  40          HE21      GLN  40 -15.012  18.295 -10.592
  328    H    GLN  41           H        GLN  41 -13.309  10.779 -10.571
  329    HA   GLN  41           HA       GLN  41 -11.685  10.958 -13.059
  330    HB2  GLN  41           HB2      GLN  41 -10.847  11.504 -10.693
  331    HB3  GLN  41           HB3      GLN  41 -11.179   9.837 -10.260
  332    HG2  GLN  41           HG2      GLN  41  -9.547   9.257 -12.186
  333    HG3  GLN  41           HG3      GLN  41  -9.125  10.990 -12.121
  334   HE21  GLN  41          HE22      GLN  41  -8.921  11.629  -9.371
  335   HE22  GLN  41          HE21      GLN  41  -7.896  10.480  -8.571
  336    H    ARG  42           H        ARG  42 -11.467   8.977 -14.264
  337    HA   ARG  42           HA       ARG  42 -12.654   6.545 -12.942
  338    HB2  ARG  42           HB2      ARG  42 -13.325   7.707 -15.538
  339    HB3  ARG  42           HB3      ARG  42 -12.703   6.045 -15.720
  340    HG2  ARG  42           HG2      ARG  42 -14.425   5.131 -14.432
  341    HG3  ARG  42           HG3      ARG  42 -14.807   6.664 -13.613
  342    HD2  ARG  42           HD2      ARG  42 -15.776   7.546 -15.714
  343    HD3  ARG  42           HD3      ARG  42 -15.405   6.041 -16.535
  344    HE   ARG  42           HE       ARG  42 -17.086   5.961 -14.060
  345   HH11  ARG  42          HH21      ARG  42 -16.964   5.185 -17.489
  346   HH12  ARG  42          HH22      ARG  42 -18.700   5.223 -17.734
  347   HH21  ARG  42          HH12      ARG  42 -19.387   5.626 -14.273
  348   HH22  ARG  42          HH11      ARG  42 -20.045   5.242 -15.822
  349    H    LEU  43           H        LEU  43 -11.732   4.517 -13.684
  350    HA   LEU  43           HA       LEU  43  -8.867   4.810 -14.412
  351    HB2  LEU  43           HB2      LEU  43  -9.911   4.154 -11.820
  352    HB3  LEU  43           HB3      LEU  43  -9.460   2.610 -12.529
  353    HG   LEU  43           HG       LEU  43  -7.185   3.414 -12.936
  354   HD11  LEU  43          HD11      LEU  43  -6.464   5.618 -11.838
  355   HD12  LEU  43          HD12      LEU  43  -7.485   5.859 -13.254
  356   HD13  LEU  43          HD13      LEU  43  -8.186   6.034 -11.642
  357   HD21  LEU  43          HD21      LEU  43  -7.787   2.374 -10.737
  358   HD22  LEU  43          HD22      LEU  43  -6.491   3.568 -10.590
  359   HD23  LEU  43          HD23      LEU  43  -8.125   4.004 -10.069
  360    H    ILE  44           H        ILE  44  -8.366   3.612 -15.987
  361    HA   ILE  44           HA       ILE  44  -9.887   1.097 -16.578
  362    HB   ILE  44           HB       ILE  44  -8.523   3.059 -18.525
  363   HG12  ILE  44          HG12      ILE  44 -11.147   2.544 -19.336
  364   HG13  ILE  44          HG13      ILE  44 -11.290   2.429 -17.596
  365   HG21  ILE  44          HG21      ILE  44  -8.103   0.730 -19.330
  366   HG22  ILE  44          HG22      ILE  44  -9.896   0.478 -19.339
  367   HG23  ILE  44          HG23      ILE  44  -9.121   1.693 -20.367
  368   HD11  ILE  44          HD11      ILE  44  -9.917   4.670 -17.609
  369   HD12  ILE  44          HD12      ILE  44 -10.558   4.759 -19.262
  370   HD13  ILE  44          HD13      ILE  44 -11.665   4.643 -17.848
  371    H    PHE  45           H        PHE  45  -8.747  -0.724 -17.196
  372    HA   PHE  45           HA       PHE  45  -5.789  -0.601 -17.024
  373    HB2  PHE  45           HB2      PHE  45  -6.427  -1.369 -14.802
  374    HB3  PHE  45           HB3      PHE  45  -7.614  -2.486 -15.471
  375    HD1  PHE  45           HD1      PHE  45  -3.994  -1.766 -16.095
  376    HD2  PHE  45           HD2      PHE  45  -7.014  -4.737 -15.334
  377    HE1  PHE  45           HE1      PHE  45  -2.238  -3.555 -16.131
  378    HE2  PHE  45           HE2      PHE  45  -5.281  -6.512 -15.357
  379    HZ   PHE  45           HZ       PHE  45  -2.910  -5.933 -15.728
  380    H    ALA  46           H        ALA  46  -5.121  -1.481 -18.912
  381    HA   ALA  46           HA       ALA  46  -5.046  -2.717 -20.817
  382    HB1  ALA  46           HB1      ALA  46  -5.944  -4.853 -18.865
  383    HB2  ALA  46           HB2      ALA  46  -5.014  -5.130 -20.360
  384    HB3  ALA  46           HB3      ALA  46  -4.280  -4.233 -19.015
  385    H    GLY  47           H        GLY  47  -7.319  -1.345 -20.796
  386    HA2  GLY  47           HA2      GLY  47  -8.901  -1.115 -22.460
  387    HA3  GLY  47           HA3      GLY  47  -8.817  -2.844 -22.814
  388    H    LYS  48           H        LYS  48  -9.398  -1.907 -19.425
  389    HA   LYS  48           HA       LYS  48 -12.298  -2.058 -19.777
  390    HB2  LYS  48           HB2      LYS  48 -12.718  -3.944 -18.425
  391    HB3  LYS  48           HB3      LYS  48 -11.528  -4.423 -19.633
  392    HG2  LYS  48           HG2      LYS  48  -9.738  -4.321 -17.922
  393    HG3  LYS  48           HG3      LYS  48 -10.911  -3.775 -16.712
  394    HD2  LYS  48           HD2      LYS  48 -10.487  -6.110 -16.377
  395    HD3  LYS  48           HD3      LYS  48 -12.157  -5.905 -16.953
  396    HE2  LYS  48           HE2      LYS  48 -11.418  -6.549 -19.257
  397    HE3  LYS  48           HE3      LYS  48  -9.756  -6.711 -18.683
  398    HZ1  LYS  48           HZ1      LYS  48 -10.491  -8.536 -17.253
  399    HZ2  LYS  48           HZ2      LYS  48 -12.043  -8.364 -17.752
  400    HZ3  LYS  48           HZ3      LYS  48 -10.894  -8.850 -18.802
  401    H    GLN  49           H        GLN  49 -13.435  -1.146 -18.100
  402    HA   GLN  49           HA       GLN  49 -11.966   0.805 -16.513
  403    HB2  GLN  49           HB2      GLN  49 -14.114   1.139 -17.822
  404    HB3  GLN  49           HB3      GLN  49 -14.933   0.141 -16.605
  405    HG2  GLN  49           HG2      GLN  49 -14.373   1.807 -14.869
  406    HG3  GLN  49           HG3      GLN  49 -13.479   2.760 -16.064
  407   HE21  GLN  49          HE22      GLN  49 -16.773   1.566 -15.174
  408   HE22  GLN  49          HE21      GLN  49 -17.629   2.737 -16.141
  409    H    LEU  50           H        LEU  50 -12.012   0.968 -14.264
  410    HA   LEU  50           HA       LEU  50 -12.690  -1.543 -12.766
  411    HB2  LEU  50           HB2      LEU  50 -10.837   0.595 -11.736
  412    HB3  LEU  50           HB3      LEU  50 -10.926  -1.112 -11.322
  413    HG   LEU  50           HG       LEU  50  -9.717   0.149 -13.784
  414   HD11  LEU  50          HD11      LEU  50  -7.593  -0.691 -12.960
  415   HD12  LEU  50          HD12      LEU  50  -8.379   0.284 -11.715
  416   HD13  LEU  50          HD13      LEU  50  -8.409  -1.489 -11.591
  417   HD21  LEU  50          HD21      LEU  50 -10.838  -2.421 -13.820
  418   HD22  LEU  50          HD22      LEU  50  -9.653  -1.771 -14.933
  419   HD23  LEU  50          HD23      LEU  50  -9.125  -2.721 -13.531
  420    H    GLU  51           H        GLU  51 -13.526  -1.208 -10.572
  421    HA   GLU  51           HA       GLU  51 -14.993   1.369 -10.353
  422    HB2  GLU  51           HB2      GLU  51 -16.866   0.314  -9.426
  423    HB3  GLU  51           HB3      GLU  51 -16.459  -0.565 -10.904
  424    HG2  GLU  51           HG2      GLU  51 -15.299  -2.278  -9.523
  425    HG3  GLU  51           HG3      GLU  51 -15.810  -1.439  -8.058
  426    H    ASP  52           H        ASP  52 -15.426   2.119  -8.226
  427    HA   ASP  52           HA       ASP  52 -12.987   2.555  -6.923
  428    HB2  ASP  52           HB2      ASP  52 -15.870   3.165  -6.249
  429    HB3  ASP  52           HB3      ASP  52 -14.590   3.559  -5.120
  430    H    GLY  53           H        GLY  53 -15.587   0.288  -6.132
  431    HA2  GLY  53           HA2      GLY  53 -14.586  -0.357  -3.502
  432    HA3  GLY  53           HA3      GLY  53 -15.912  -1.127  -4.396
  433    H    ARG  54           H        ARG  54 -13.177  -1.208  -6.413
  434    HA   ARG  54           HA       ARG  54 -12.594  -4.024  -5.572
  435    HB2  ARG  54           HB2      ARG  54 -12.740  -2.631  -8.268
  436    HB3  ARG  54           HB3      ARG  54 -11.917  -4.209  -8.017
  437    HG2  ARG  54           HG2      ARG  54 -14.133  -4.977  -6.904
  438    HG3  ARG  54           HG3      ARG  54 -14.858  -3.546  -7.634
  439    HD2  ARG  54           HD2      ARG  54 -15.005  -4.557  -9.684
  440    HD3  ARG  54           HD3      ARG  54 -13.340  -5.119  -9.583
  441    HE   ARG  54           HE       ARG  54 -13.893  -7.107  -8.830
  442   HH11  ARG  54          HH21      ARG  54 -16.942  -5.208  -8.962
  443   HH12  ARG  54          HH22      ARG  54 -17.925  -6.561  -8.536
  444   HH21  ARG  54          HH11      ARG  54 -15.208  -8.849  -8.263
  445   HH22  ARG  54          HH12      ARG  54 -16.929  -8.693  -8.171
  446    H    THR  55           H        THR  55 -10.298  -4.672  -6.545
  447    HA   THR  55           HA       THR  55  -8.409  -2.543  -5.623
  448    HB   THR  55           HB       THR  55  -7.179  -4.341  -4.542
  449    HG1  THR  55           HG1      THR  55  -8.375  -6.394  -4.195
  450   HG21  THR  55          HG21      THR  55  -8.612  -4.754  -2.562
  451   HG22  THR  55          HG22      THR  55  -8.554  -3.077  -3.095
  452   HG23  THR  55          HG23      THR  55  -9.997  -4.066  -3.446
  453    H    LEU  56           H        LEU  56  -6.217  -3.114  -6.163
  454    HA   LEU  56           HA       LEU  56  -6.013  -3.500  -8.999
  455    HB2  LEU  56           HB2      LEU  56  -3.804  -3.826  -6.909
  456    HB3  LEU  56           HB3      LEU  56  -3.559  -3.490  -8.606
  457    HG   LEU  56           HG       LEU  56  -4.796  -1.660  -6.527
  458   HD11  LEU  56          HD11      LEU  56  -2.274  -1.427  -8.223
  459   HD12  LEU  56          HD12      LEU  56  -2.907  -0.205  -7.073
  460   HD13  LEU  56          HD13      LEU  56  -2.374  -1.781  -6.479
  461   HD21  LEU  56          HD21      LEU  56  -4.855   0.040  -8.443
  462   HD22  LEU  56          HD22      LEU  56  -4.506  -1.293  -9.563
  463   HD23  LEU  56          HD23      LEU  56  -6.017  -1.272  -8.614
  464    H    SER  57           H        SER  57  -5.399  -5.735  -6.318
  465    HA   SER  57           HA       SER  57  -4.678  -8.012  -7.818
  466    HB2  SER  57           HB2      SER  57  -4.487  -7.539  -5.291
  467    HB3  SER  57           HB3      SER  57  -6.194  -8.014  -5.194
  468    HG   SER  57           HG       SER  57  -4.743  -9.771  -4.777
  469    H    ASP  58           H        ASP  58  -7.964  -6.620  -7.100
  470    HA   ASP  58           HA       ASP  58  -9.412  -9.004  -7.728
  471    HB2  ASP  58           HB2      ASP  58 -10.279  -6.901  -6.609
  472    HB3  ASP  58           HB3      ASP  58 -10.350  -6.175  -8.218
  473    H    TYR  59           H        TYR  59  -7.833  -6.502  -9.586
  474    HA   TYR  59           HA       TYR  59  -8.784  -7.587 -12.185
  475    HB2  TYR  59           HB2      TYR  59  -7.303  -5.062 -11.441
  476    HB3  TYR  59           HB3      TYR  59  -7.743  -5.506 -13.099
  477    HD1  TYR  59           HD2      TYR  59 -10.274  -5.937 -13.575
  478    HD2  TYR  59           HD1      TYR  59  -8.809  -3.802 -10.119
  479    HE1  TYR  59           HE2      TYR  59 -12.511  -4.937 -13.251
  480    HE2  TYR  59           HE1      TYR  59 -11.050  -2.892  -9.723
  481    HH   TYR  59           HH       TYR  59 -13.863  -3.582 -11.870
  482    H    ASN  60           H        ASN  60  -6.495  -8.381 -10.081
  483    HA   ASN  60           HA       ASN  60  -4.656  -9.566 -10.077
  484    HB2  ASN  60           HB2      ASN  60  -6.129 -10.735 -12.009
  485    HB3  ASN  60           HB3      ASN  60  -4.732 -10.294 -12.987
  486   HD21  ASN  60          HD22      ASN  60  -5.638 -11.768  -9.833
  487   HD22  ASN  60          HD21      ASN  60  -4.356 -12.969  -9.807
  488    H    ILE  61           H        ILE  61  -4.557  -6.716 -10.894
  489    HA   ILE  61           HA       ILE  61  -2.121  -6.245 -12.403
  490    HB   ILE  61           HB       ILE  61  -3.736  -4.737 -10.324
  491   HG12  ILE  61          HG12      ILE  61  -3.574  -3.991 -13.242
  492   HG13  ILE  61          HG13      ILE  61  -4.725  -5.212 -12.702
  493   HG21  ILE  61          HG21      ILE  61  -1.448  -3.823 -10.267
  494   HG22  ILE  61          HG22      ILE  61  -1.455  -3.659 -12.041
  495   HG23  ILE  61          HG23      ILE  61  -2.514  -2.658 -11.035
  496   HD11  ILE  61          HD11      ILE  61  -5.736  -3.614 -11.128
  497   HD12  ILE  61          HD12      ILE  61  -4.603  -2.376 -11.643
  498   HD13  ILE  61          HD13      ILE  61  -5.789  -3.025 -12.799
  499    H    GLN  62           H        GLN  62  -0.055  -5.952 -11.514
  500    HA   GLN  62           HA       GLN  62   0.385  -6.657  -8.654
  501    HB2  GLN  62           HB2      GLN  62   2.127  -7.558 -11.004
  502    HB3  GLN  62           HB3      GLN  62   2.338  -7.961  -9.301
  503    HG2  GLN  62           HG2      GLN  62   0.138  -9.174  -9.350
  504    HG3  GLN  62           HG3      GLN  62   0.041  -8.851 -11.078
  505   HE21  GLN  62          HE22      GLN  62   0.988 -10.384 -12.462
  506   HE22  GLN  62          HE21      GLN  62   2.106 -11.618 -11.934
  507    H    LYS  63           H        LYS  63   3.083  -6.058  -8.524
  508    HA   LYS  63           HA       LYS  63   3.290  -3.265  -8.692
  509    HB2  LYS  63           HB2      LYS  63   5.585  -3.628  -8.064
  510    HB3  LYS  63           HB3      LYS  63   4.649  -4.915  -7.262
  511    HG2  LYS  63           HG2      LYS  63   5.331  -6.421  -9.212
  512    HG3  LYS  63           HG3      LYS  63   6.438  -5.125  -9.692
  513    HD2  LYS  63           HD2      LYS  63   7.403  -5.202  -7.330
  514    HD3  LYS  63           HD3      LYS  63   6.415  -6.656  -7.050
  515    HE2  LYS  63           HE2      LYS  63   7.549  -7.711  -9.042
  516    HE3  LYS  63           HE3      LYS  63   8.563  -6.267  -9.178
  517    HZ1  LYS  63           HZ1      LYS  63   8.519  -8.103  -6.851
  518    HZ2  LYS  63           HZ2      LYS  63   9.697  -8.029  -7.981
  519    HZ3  LYS  63           HZ3      LYS  63   9.470  -6.765  -6.977
  520    H    GLU  64           H        GLU  64   4.700  -2.040  -9.868
  521    HA   GLU  64           HA       GLU  64   5.314  -1.051 -11.731
  522    HB2  GLU  64           HB2      GLU  64   6.967  -3.600 -11.954
  523    HB3  GLU  64           HB3      GLU  64   7.264  -2.101 -12.869
  524    HG2  GLU  64           HG2      GLU  64   7.320  -0.865 -10.682
  525    HG3  GLU  64           HG3      GLU  64   7.333  -2.423  -9.846
  526    H    SER  65           H        SER  65   2.968  -1.691 -11.999
  527    HA   SER  65           HA       SER  65   2.615  -2.882 -14.753
  528    HB2  SER  65           HB2      SER  65   0.783  -3.194 -12.347
  529    HB3  SER  65           HB3      SER  65   0.367  -3.666 -13.995
  530    HG   SER  65           HG       SER  65   2.589  -4.686 -12.530
  531    H    THR  66           H        THR  66   0.934  -1.943 -15.971
  532    HA   THR  66           HA       THR  66   0.796   0.928 -15.370
  533    HB   THR  66           HB       THR  66   0.486  -0.518 -18.030
  534    HG1  THR  66           HG1      THR  66   2.642  -0.143 -18.329
  535   HG21  THR  66          HG21      THR  66   1.089   2.432 -17.487
  536   HG22  THR  66          HG22      THR  66   1.029   1.655 -19.078
  537   HG23  THR  66          HG23      THR  66  -0.444   1.792 -18.121
  538    H    LEU  67           H        LEU  67  -1.035   2.090 -15.535
  539    HA   LEU  67           HA       LEU  67  -3.689   0.784 -15.868
  540    HB2  LEU  67           HB2      LEU  67  -2.411   1.849 -13.511
  541    HB3  LEU  67           HB3      LEU  67  -3.514   3.104 -14.083
  542    HG   LEU  67           HG       LEU  67  -5.359   1.464 -14.042
  543   HD11  LEU  67          HD11      LEU  67  -5.028  -0.636 -12.840
  544   HD12  LEU  67          HD12      LEU  67  -3.896  -0.606 -14.200
  545   HD13  LEU  67          HD13      LEU  67  -3.284  -0.271 -12.588
  546   HD21  LEU  67          HD21      LEU  67  -4.900   3.033 -12.193
  547   HD22  LEU  67          HD22      LEU  67  -5.589   1.490 -11.606
  548   HD23  LEU  67          HD23      LEU  67  -3.856   1.815 -11.419
  549    H    HIS  68           H        HIS  68  -5.422   2.657 -16.155
  550    HA   HIS  68           HA       HIS  68  -4.206   4.886 -17.773
  551    HB2  HIS  68           HB2      HIS  68  -6.379   2.912 -18.371
  552    HB3  HIS  68           HB3      HIS  68  -6.608   4.568 -18.921
  553    HD2  HIS  68           HD2      HIS  68  -5.001   5.512 -20.807
  554    HE1  HIS  68           HE1      HIS  68  -3.458   1.749 -22.063
  555    H    LEU  69           H        LEU  69  -4.989   7.008 -17.174
  556    HA   LEU  69           HA       LEU  69  -7.196   7.108 -15.127
  557    HB2  LEU  69           HB2      LEU  69  -5.008   8.048 -14.502
  558    HB3  LEU  69           HB3      LEU  69  -4.930   8.939 -16.016
  559    HG   LEU  69           HG       LEU  69  -5.223  10.244 -13.977
  560   HD11  LEU  69          HD11      LEU  69  -7.547  10.781 -15.851
  561   HD12  LEU  69          HD12      LEU  69  -6.625  11.908 -14.854
  562   HD13  LEU  69          HD13      LEU  69  -5.853  11.151 -16.239
  563   HD21  LEU  69          HD21      LEU  69  -7.212  10.374 -12.843
  564   HD22  LEU  69          HD22      LEU  69  -8.101   9.312 -13.985
  565   HD23  LEU  69          HD23      LEU  69  -6.843   8.639 -12.905
  566    H    VAL  70           H        VAL  70  -9.097   8.051 -15.831
  567    HA   VAL  70           HA       VAL  70  -8.905   9.989 -18.101
  568    HB   VAL  70           HB       VAL  70 -10.825   9.195 -19.163
  569   HG11  VAL  70          HG11      VAL  70  -8.727   7.844 -19.491
  570   HG12  VAL  70          HG12      VAL  70  -9.384   6.632 -18.455
  571   HG13  VAL  70          HG13      VAL  70 -10.232   7.040 -19.987
  572   HG21  VAL  70          HG21      VAL  70 -12.163   7.185 -18.457
  573   HG22  VAL  70          HG22      VAL  70 -11.229   7.183 -16.940
  574   HG23  VAL  70          HG23      VAL  70 -12.321   8.555 -17.361
  575    H    LEU  71           H        LEU  71 -10.911  11.335 -18.193
  576    HA   LEU  71           HA       LEU  71 -11.598  12.222 -15.440
  577    HB2  LEU  71           HB2      LEU  71 -10.359  13.693 -17.106
  578    HB3  LEU  71           HB3      LEU  71 -11.783  13.608 -18.140
  579    HG   LEU  71           HG       LEU  71 -11.263  15.671 -16.628
  580   HD11  LEU  71          HD11      LEU  71 -13.750  16.144 -16.602
  581   HD12  LEU  71          HD12      LEU  71 -13.096  15.621 -18.164
  582   HD13  LEU  71          HD13      LEU  71 -14.011  14.478 -17.195
  583   HD21  LEU  71          HD21      LEU  71 -13.093  14.252 -14.688
  584   HD22  LEU  71          HD22      LEU  71 -11.333  14.313 -14.455
  585   HD23  LEU  71          HD23      LEU  71 -12.278  15.804 -14.529
  586    H    ARG  72           H        ARG  72 -13.649  11.960 -14.874
  587    HA   ARG  72           HA       ARG  72 -15.713  11.475 -16.951
  588    HB2  ARG  72           HB2      ARG  72 -16.536   9.675 -15.890
  589    HB3  ARG  72           HB3      ARG  72 -14.851   9.549 -15.417
  590    HG2  ARG  72           HG2      ARG  72 -15.569   9.282 -13.295
  591    HG3  ARG  72           HG3      ARG  72 -15.975  10.997 -13.275
  592    HD2  ARG  72           HD2      ARG  72 -18.244  10.407 -14.196
  593    HD3  ARG  72           HD3      ARG  72 -17.772   8.701 -14.154
  594    HE   ARG  72           HE       ARG  72 -17.503   9.969 -11.554
  595   HH11  ARG  72          HH21      ARG  72 -20.004   8.662 -13.774
  596   HH12  ARG  72          HH22      ARG  72 -21.079   8.224 -12.502
  597   HH21  ARG  72          HH11      ARG  72 -19.059   9.481  -9.870
  598   HH22  ARG  72          HH12      ARG  72 -20.526   8.681 -10.284
  599    H    LEU  73           H        LEU  73 -14.830  13.956 -15.549
  600    HA   LEU  73           HA       LEU  73 -15.767  15.938 -15.018
  601    HB2  LEU  73           HB2      LEU  73 -18.407  14.821 -16.028
  602    HB3  LEU  73           HB3      LEU  73 -17.856  16.477 -15.973
  603    HG   LEU  73           HG       LEU  73 -15.978  15.701 -17.640
  604   HD11  LEU  73          HD11      LEU  73 -17.075  13.928 -19.258
  605   HD12  LEU  73          HD12      LEU  73 -16.108  13.378 -17.950
  606   HD13  LEU  73          HD13      LEU  73 -17.885  13.331 -17.812
  607   HD21  LEU  73          HD21      LEU  73 -18.907  16.066 -18.320
  608   HD22  LEU  73          HD22      LEU  73 -17.671  17.309 -18.115
  609   HD23  LEU  73          HD23      LEU  73 -17.558  16.206 -19.479
  610    H    ARG  74           H        ARG  74 -17.700  13.338 -13.451
  611    HA   ARG  74           HA       ARG  74 -19.532  15.122 -12.162
  612    HB2  ARG  74           HB2      ARG  74 -18.646  12.287 -11.434
  613    HB3  ARG  74           HB3      ARG  74 -20.033  13.099 -10.716
  614    HG2  ARG  74           HG2      ARG  74 -19.784  12.369 -13.657
  615    HG3  ARG  74           HG3      ARG  74 -20.776  11.567 -12.444
  616    HD2  ARG  74           HD2      ARG  74 -22.065  13.686 -12.124
  617    HD3  ARG  74           HD3      ARG  74 -21.140  14.426 -13.427
  618    HE   ARG  74           HE       ARG  74 -23.154  12.261 -13.622
  619   HH11  ARG  74          HH11      ARG  74 -20.981  14.498 -15.403
  620   HH12  ARG  74          HH12      ARG  74 -21.731  14.090 -16.941
  621   HH21  ARG  74          HH21      ARG  74 -24.084  11.874 -15.747
  622   HH22  ARG  74          HH22      ARG  74 -23.390  12.727 -17.113
  623    H    GLY  75           H        GLY  75 -19.829  15.072  -9.652
  624    HA2  GLY  75           HA2      GLY  75 -17.451  15.250  -8.053
  625    HA3  GLY  75           HA3      GLY  75 -18.001  16.859  -8.563
  626    H    GLY  76           H        GLY  76 -19.941  13.922  -7.805
  627    HA2  GLY  76           HA2      GLY  76 -20.890  14.459  -5.274
  628    HA3  GLY  76           HA3      GLY  76 -21.900  15.460  -6.328
  629    H1   GLY  -3           H1       GLY  -3 -12.860  25.482 -15.558
  630    H2   GLY  -3           H2       GLY  -3 -12.254  26.315 -16.835
  631    H3   GLY  -3           H3       GLY  -3 -11.299  25.269 -16.002
  632    HA2  GLY  -3           HA2      GLY  -3 -13.664  24.520 -17.600
  633    HA3  GLY  -3           HA3      GLY  -3 -11.982  24.325 -18.132
  634    H    HIS  -2           H        HIS  -2 -14.295  22.354 -17.467
  635    HA   HIS  -2           HA       HIS  -2 -12.811  20.596 -15.550
  636    HB2  HIS  -2           HB2      HIS  -2 -15.818  21.089 -15.656
  637    HB3  HIS  -2           HB3      HIS  -2 -14.958  20.067 -14.509
  638    HD2  HIS  -2           HD2      HIS  -2 -16.278  23.519 -14.858
  639    HE1  HIS  -2           HE1      HIS  -2 -13.406  23.831 -11.723
  640    H    MET  -1           H        MET  -1 -13.155  20.632 -18.660
  641    HA   MET  -1           HA       MET  -1 -13.868  17.802 -18.968
  642    HB2  MET  -1           HB2      MET  -1 -15.459  18.353 -20.816
  643    HB3  MET  -1           HB3      MET  -1 -16.058  18.662 -19.193
  644    HG2  MET  -1           HG2      MET  -1 -15.002  20.864 -20.998
  645    HG3  MET  -1           HG3      MET  -1 -16.666  20.325 -20.978
  646    HE1  MET  -1           HE1      MET  -1 -17.475  22.817 -20.608
  647    HE2  MET  -1           HE2      MET  -1 -16.873  23.856 -19.309
  648    HE3  MET  -1           HE3      MET  -1 -15.779  23.339 -20.614
  649    H    PHE 679           H        PHE 679 -12.480  16.907 -20.407
  650    HA   PHE 679           HA       PHE 679 -10.689  16.736 -21.719
  651    HB2  PHE 679           HB2      PHE 679 -12.499  16.524 -23.194
  652    HB3  PHE 679           HB3      PHE 679 -12.547  18.259 -23.535
  653    HD1  PHE 679           HD2      PHE 679 -10.455  15.185 -23.826
  654    HD2  PHE 679           HD1      PHE 679 -11.257  19.113 -25.375
  655    HE1  PHE 679           HE2      PHE 679  -9.011  14.698 -25.807
  656    HE2  PHE 679           HE1      PHE 679  -9.814  18.645 -27.343
  657    HZ   PHE 679           HZ       PHE 679  -8.685  16.438 -27.557
  658    HA   PRO 680           HA       PRO 680  -8.555  20.762 -20.996
  659    HB2  PRO 680           HB2      PRO 680  -7.119  20.153 -18.769
  660    HB3  PRO 680           HB3      PRO 680  -8.835  20.632 -18.647
  661    HG2  PRO 680           HG2      PRO 680  -7.752  17.794 -18.816
  662    HG3  PRO 680           HG3      PRO 680  -8.794  18.476 -17.518
  663    HD2  PRO 680           HD2      PRO 680  -9.803  17.111 -19.616
  664    HD3  PRO 680           HD3      PRO 680 -10.633  18.564 -18.964
  665    H    SER 681           H        SER 681  -5.906  20.587 -20.530
  666    HA   SER 681           HA       SER 681  -4.691  19.184 -22.634
  667    HB2  SER 681           HB2      SER 681  -2.601  19.712 -21.171
  668    HB3  SER 681           HB3      SER 681  -3.574  21.047 -21.807
  669    HG   SER 681           HG       SER 681  -3.082  21.325 -19.567
  670    H    ASP 682           H        ASP 682  -5.702  17.929 -19.528
  671    HA   ASP 682           HA       ASP 682  -4.000  15.734 -19.165
  672    HB2  ASP 682           HB2      ASP 682  -5.808  16.627 -17.642
  673    HB3  ASP 682           HB3      ASP 682  -6.968  15.764 -18.695
  674    H    ILE 683           H        ILE 683  -5.720  16.101 -21.988
  675    HA   ILE 683           HA       ILE 683  -5.963  13.155 -22.315
  676    HB   ILE 683           HB       ILE 683  -7.945  15.008 -23.533
  677   HG12  ILE 683          HG12      ILE 683  -8.181  15.647 -21.123
  678   HG13  ILE 683          HG13      ILE 683  -9.573  14.846 -21.803
  679   HG21  ILE 683          HG21      ILE 683  -7.596  12.518 -24.009
  680   HG22  ILE 683          HG22      ILE 683  -8.385  12.287 -22.433
  681   HG23  ILE 683          HG23      ILE 683  -9.223  13.160 -23.739
  682   HD11  ILE 683          HD11      ILE 683  -9.071  14.257 -19.452
  683   HD12  ILE 683          HD12      ILE 683  -9.292  12.894 -20.539
  684   HD13  ILE 683          HD13      ILE 683  -7.665  13.339 -20.008
  685    H    ASP 684           H        ASP 684  -5.202  12.424 -24.257
  686    HA   ASP 684           HA       ASP 684  -4.474  14.247 -26.461
  687    HB2  ASP 684           HB2      ASP 684  -2.432  13.939 -25.131
  688    HB3  ASP 684           HB3      ASP 684  -2.628  12.184 -25.130
  689    HA   PRO 685           HA       PRO 685  -6.785  11.153 -28.644
  690    HB2  PRO 685           HB2      PRO 685  -4.670  11.543 -30.780
  691    HB3  PRO 685           HB3      PRO 685  -6.451  11.395 -30.971
  692    HG2  PRO 685           HG2      PRO 685  -5.299  13.839 -30.969
  693    HG3  PRO 685           HG3      PRO 685  -6.807  13.570 -30.036
  694    HD2  PRO 685           HD2      PRO 685  -3.968  13.725 -29.021
  695    HD3  PRO 685           HD3      PRO 685  -5.474  14.370 -28.312
  696    H    GLN 686           H        GLN 686  -3.202  10.623 -28.502
  697    HA   GLN 686           HA       GLN 686  -3.297   8.025 -29.690
  698    HB2  GLN 686           HB2      GLN 686  -1.269   9.268 -27.776
  699    HB3  GLN 686           HB3      GLN 686  -1.005   7.785 -28.691
  700    HG2  GLN 686           HG2      GLN 686  -1.005   8.913 -30.785
  701    HG3  GLN 686           HG3      GLN 686  -1.724  10.379 -30.121
  702   HE21  GLN 686          HE22      GLN 686  -0.446  11.577 -28.431
  703   HE22  GLN 686          HE21      GLN 686   1.304  11.675 -28.661
  704    H    VAL 687           H        VAL 687  -3.057   9.001 -26.218
  705    HA   VAL 687           HA       VAL 687  -3.362   6.315 -25.211
  706    HB   VAL 687           HB       VAL 687  -4.143   8.887 -23.814
  707   HG11  VAL 687          HG11      VAL 687  -3.344   6.118 -22.902
  708   HG12  VAL 687          HG12      VAL 687  -3.442   7.517 -21.782
  709   HG13  VAL 687          HG13      VAL 687  -4.862   6.918 -22.634
  710   HG21  VAL 687          HG21      VAL 687  -1.391   7.706 -24.240
  711   HG22  VAL 687          HG22      VAL 687  -1.939   9.386 -24.468
  712   HG23  VAL 687          HG23      VAL 687  -1.800   8.728 -22.830
  713    H    PHE 688           H        PHE 688  -5.566   8.951 -26.105
  714    HA   PHE 688           HA       PHE 688  -7.816   7.915 -24.722
  715    HB2  PHE 688           HB2      PHE 688  -7.404  10.101 -25.141
  716    HB3  PHE 688           HB3      PHE 688  -7.448   9.923 -26.905
  717    HD1  PHE 688           HD2      PHE 688  -9.892   8.734 -24.232
  718    HD2  PHE 688           HD1      PHE 688  -9.264  10.979 -27.874
  719    HE1  PHE 688           HE2      PHE 688 -12.319   9.197 -24.387
  720    HE2  PHE 688           HE1      PHE 688 -11.702  11.361 -28.046
  721    HZ   PHE 688           HZ       PHE 688 -13.233  10.471 -26.302
  722    H    TYR 689           H        TYR 689  -6.435   7.247 -27.973
  723    HA   TYR 689           HA       TYR 689  -8.625   5.460 -28.719
  724    HB2  TYR 689           HB2      TYR 689  -5.913   6.182 -29.857
  725    HB3  TYR 689           HB3      TYR 689  -6.782   4.785 -30.470
  726    HD1  TYR 689           HD1      TYR 689  -9.431   5.282 -30.944
  727    HD2  TYR 689           HD2      TYR 689  -6.187   8.117 -31.212
  728    HE1  TYR 689           HE1      TYR 689 -10.779   6.667 -32.491
  729    HE2  TYR 689           HE2      TYR 689  -7.522   9.503 -32.766
  730    HH   TYR 689           HH       TYR 689  -9.556   9.736 -33.917
  731    H    GLU 690           H        GLU 690  -5.540   5.135 -26.964
  732    HA   GLU 690           HA       GLU 690  -5.283   2.291 -26.954
  733    HB2  GLU 690           HB2      GLU 690  -3.869   4.366 -25.986
  734    HB3  GLU 690           HB3      GLU 690  -4.694   3.877 -24.487
  735    HG2  GLU 690           HG2      GLU 690  -3.747   1.629 -24.695
  736    HG3  GLU 690           HG3      GLU 690  -3.030   2.042 -26.255
  737    H    LEU 691           H        LEU 691  -7.364   4.500 -25.274
  738    HA   LEU 691           HA       LEU 691  -8.466   2.865 -23.237
  739    HB2  LEU 691           HB2      LEU 691  -8.508   5.518 -24.065
  740    HB3  LEU 691           HB3      LEU 691 -10.107   5.021 -24.532
  741    HG   LEU 691           HG       LEU 691  -9.959   6.174 -22.435
  742   HD11  LEU 691          HD11      LEU 691 -11.683   4.290 -22.882
  743   HD12  LEU 691          HD12      LEU 691 -10.987   3.729 -21.311
  744   HD13  LEU 691          HD13      LEU 691 -11.625   5.355 -21.466
  745   HD21  LEU 691          HD21      LEU 691  -8.778   5.305 -20.484
  746   HD22  LEU 691          HD22      LEU 691  -8.540   3.733 -21.244
  747   HD23  LEU 691          HD23      LEU 691  -7.658   5.139 -21.837
  748    HA   PRO 692           HA       PRO 692 -11.563   0.422 -25.603
  749    HB2  PRO 692           HB2      PRO 692 -13.653   0.402 -23.763
  750    HB3  PRO 692           HB3      PRO 692 -12.197  -0.618 -23.603
  751    HG2  PRO 692           HG2      PRO 692 -12.577   2.201 -22.443
  752    HG3  PRO 692           HG3      PRO 692 -12.212   0.682 -21.521
  753    HD2  PRO 692           HD2      PRO 692 -10.149   2.151 -22.234
  754    HD3  PRO 692           HD3      PRO 692 -10.105   0.459 -22.748
  755    H    GLU 693           H        GLU 693 -13.185   1.006 -27.042
  756    HA   GLU 693           HA       GLU 693 -13.970   3.643 -27.502
  757    HB2  GLU 693           HB2      GLU 693 -15.714   2.689 -28.950
  758    HB3  GLU 693           HB3      GLU 693 -14.128   1.925 -29.174
  759    HG2  GLU 693           HG2      GLU 693 -14.938  -0.019 -27.794
  760    HG3  GLU 693           HG3      GLU 693 -16.520   0.757 -27.685
  761    H    ALA 694           H        ALA 694 -15.555   1.224 -25.504
  762    HA   ALA 694           HA       ALA 694 -18.033   2.289 -24.942
  763    HB1  ALA 694           HB1      ALA 694 -17.119   0.114 -24.226
  764    HB2  ALA 694           HB2      ALA 694 -15.952   0.921 -23.150
  765    HB3  ALA 694           HB3      ALA 694 -17.694   1.002 -22.784
  766    H    VAL 695           H        VAL 695 -15.091   2.761 -22.971
  767    HA   VAL 695           HA       VAL 695 -16.401   4.715 -21.268
  768    HB   VAL 695           HB       VAL 695 -13.482   4.032 -21.541
  769   HG11  VAL 695          HG11      VAL 695 -13.401   4.810 -19.117
  770   HG12  VAL 695          HG12      VAL 695 -13.792   6.106 -20.262
  771   HG13  VAL 695          HG13      VAL 695 -15.076   5.355 -19.295
  772   HG21  VAL 695          HG21      VAL 695 -14.737   1.957 -20.968
  773   HG22  VAL 695          HG22      VAL 695 -13.711   2.513 -19.642
  774   HG23  VAL 695          HG23      VAL 695 -15.470   2.807 -19.592
  775    H    GLN 696           H        GLN 696 -14.309   4.816 -24.221
  776    HA   GLN 696           HA       GLN 696 -13.840   7.587 -24.067
  777    HB2  GLN 696           HB2      GLN 696 -14.298   5.878 -26.553
  778    HB3  GLN 696           HB3      GLN 696 -13.778   7.554 -26.598
  779    HG2  GLN 696           HG2      GLN 696 -11.649   6.981 -25.525
  780    HG3  GLN 696           HG3      GLN 696 -12.174   5.345 -25.281
  781   HE21  GLN 696          HE22      GLN 696 -11.182   3.992 -26.804
  782   HE22  GLN 696          HE21      GLN 696 -11.074   4.336 -28.508
  783    H    LYS 697           H        LYS 697 -16.661   5.747 -25.435
  784    HA   LYS 697           HA       LYS 697 -18.155   7.967 -26.408
  785    HB2  LYS 697           HB2      LYS 697 -18.915   5.199 -25.477
  786    HB3  LYS 697           HB3      LYS 697 -20.157   6.424 -25.491
  787    HG2  LYS 697           HG2      LYS 697 -20.472   5.426 -27.483
  788    HG3  LYS 697           HG3      LYS 697 -19.586   6.864 -27.951
  789    HD2  LYS 697           HD2      LYS 697 -18.231   4.172 -27.503
  790    HD3  LYS 697           HD3      LYS 697 -19.052   4.510 -29.008
  791    HE2  LYS 697           HE2      LYS 697 -16.867   6.361 -27.977
  792    HE3  LYS 697           HE3      LYS 697 -16.495   4.900 -28.884
  793    HZ1  LYS 697           HZ1      LYS 697 -17.825   5.717 -30.738
  794    HZ2  LYS 697           HZ2      LYS 697 -18.209   7.096 -29.948
  795    HZ3  LYS 697           HZ3      LYS 697 -16.663   6.798 -30.386
  796    H    GLU 698           H        GLU 698 -18.003   6.604 -23.087
  797    HA   GLU 698           HA       GLU 698 -19.902   8.384 -21.919
  798    HB2  GLU 698           HB2      GLU 698 -17.940   6.591 -20.789
  799    HB3  GLU 698           HB3      GLU 698 -17.550   8.182 -20.139
  800    HG2  GLU 698           HG2      GLU 698 -19.004   7.559 -18.572
  801    HG3  GLU 698           HG3      GLU 698 -20.111   8.406 -19.634
  802    H    LEU 699           H        LEU 699 -16.411   8.678 -22.251
  803    HA   LEU 699           HA       LEU 699 -16.040  11.166 -20.998
  804    HB2  LEU 699           HB2      LEU 699 -14.530   9.407 -22.932
  805    HB3  LEU 699           HB3      LEU 699 -13.900  10.983 -22.629
  806    HG   LEU 699           HG       LEU 699 -13.301  10.532 -20.460
  807   HD11  LEU 699          HD11      LEU 699 -15.359   9.831 -19.425
  808   HD12  LEU 699          HD12      LEU 699 -15.228   8.223 -20.190
  809   HD13  LEU 699          HD13      LEU 699 -14.051   8.763 -18.987
  810   HD21  LEU 699          HD21      LEU 699 -12.240   8.245 -20.500
  811   HD22  LEU 699          HD22      LEU 699 -13.139   7.888 -21.952
  812   HD23  LEU 699          HD23      LEU 699 -11.953   9.215 -21.964
  813    H    LEU 700           H        LEU 700 -15.952  10.556 -24.551
  814    HA   LEU 700           HA       LEU 700 -15.764  13.296 -25.182
  815    HB2  LEU 700           HB2      LEU 700 -16.335  12.727 -27.470
  816    HB3  LEU 700           HB3      LEU 700 -15.105  11.686 -26.777
  817    HG   LEU 700           HG       LEU 700 -17.407  10.266 -26.238
  818   HD11  LEU 700          HD11      LEU 700 -17.816  11.445 -29.008
  819   HD12  LEU 700          HD12      LEU 700 -18.767  10.143 -28.242
  820   HD13  LEU 700          HD13      LEU 700 -18.819  11.781 -27.587
  821   HD21  LEU 700          HD21      LEU 700 -16.694   8.741 -28.000
  822   HD22  LEU 700          HD22      LEU 700 -15.739  10.036 -28.778
  823   HD23  LEU 700          HD23      LEU 700 -15.277   9.406 -27.185
  824    H    ALA 701           H        ALA 701 -18.693  11.271 -24.710
  825    HA   ALA 701           HA       ALA 701 -20.469  13.215 -25.857
  826    HB1  ALA 701           HB1      ALA 701 -21.004  11.006 -23.826
  827    HB2  ALA 701           HB2      ALA 701 -22.229  11.878 -24.773
  828    HB3  ALA 701           HB3      ALA 701 -21.040  10.842 -25.601
  829    H    GLU 702           H        GLU 702 -19.578  12.465 -22.429
  830    HA   GLU 702           HA       GLU 702 -21.041  14.696 -21.354
  831    HB2  GLU 702           HB2      GLU 702 -18.645  13.095 -20.369
  832    HB3  GLU 702           HB3      GLU 702 -19.512  14.280 -19.389
  833    HG2  GLU 702           HG2      GLU 702 -20.525  11.640 -20.403
  834    HG3  GLU 702           HG3      GLU 702 -20.173  12.129 -18.748
  835    H    TRP 703           H        TRP 703 -17.683  14.335 -22.545
  836    HA   TRP 703           HA       TRP 703 -16.795  16.737 -21.434
  837    HB2  TRP 703           HB2      TRP 703 -15.858  15.299 -23.933
  838    HB3  TRP 703           HB3      TRP 703 -15.020  16.670 -23.255
  839    HD1  TRP 703           HD1      TRP 703 -15.471  14.930 -20.144
  840    HE1  TRP 703           HE1      TRP 703 -13.770  13.103 -19.689
  841    HE3  TRP 703           HE3      TRP 703 -13.528  14.403 -24.841
  842    HZ2  TRP 703           HZ2      TRP 703 -11.427  11.929 -21.049
  843    HZ3  TRP 703           HZ3      TRP 703 -11.694  12.804 -25.248
  844    HH2  TRP 703           HH2      TRP 703 -10.704  11.520 -23.370
  845    H    LYS 704           H        LYS 704 -18.270  16.093 -24.685
  846    HA   LYS 704           HA       LYS 704 -18.160  18.936 -25.361
  847    HB2  LYS 704           HB2      LYS 704 -19.173  18.378 -27.416
  848    HB3  LYS 704           HB3      LYS 704 -17.992  17.121 -27.057
  849    HG2  LYS 704           HG2      LYS 704 -19.900  15.694 -26.192
  850    HG3  LYS 704           HG3      LYS 704 -21.028  16.931 -26.770
  851    HD2  LYS 704           HD2      LYS 704 -20.327  16.617 -29.050
  852    HD3  LYS 704           HD3      LYS 704 -18.996  15.529 -28.557
  853    HE2  LYS 704           HE2      LYS 704 -20.497  13.864 -27.742
  854    HE3  LYS 704           HE3      LYS 704 -21.900  14.935 -27.865
  855    HZ1  LYS 704           HZ1      LYS 704 -20.373  13.903 -30.209
  856    HZ2  LYS 704           HZ2      LYS 704 -21.835  13.357 -29.717
  857    HZ3  LYS 704           HZ3      LYS 704 -21.691  14.872 -30.285
  858    H    ARG 705           H        ARG 705 -20.593  16.794 -23.859
  859    HA   ARG 705           HA       ARG 705 -22.862  18.513 -24.200
  860    HB2  ARG 705           HB2      ARG 705 -22.070  16.382 -22.190
  861    HB3  ARG 705           HB3      ARG 705 -23.500  17.365 -21.884
  862    HG2  ARG 705           HG2      ARG 705 -24.632  16.633 -23.776
  863    HG3  ARG 705           HG3      ARG 705 -23.165  15.973 -24.546
  864    HD2  ARG 705           HD2      ARG 705 -23.008  14.219 -22.869
  865    HD3  ARG 705           HD3      ARG 705 -24.378  14.886 -21.963
  866    HE   ARG 705           HE       ARG 705 -25.275  14.365 -24.572
  867   HH11  ARG 705          HH11      ARG 705 -24.033  12.486 -21.784
  868   HH12  ARG 705          HH12      ARG 705 -24.979  11.084 -22.156
  869   HH21  ARG 705          HH21      ARG 705 -26.502  12.480 -25.052
  870   HH22  ARG 705          HH22      ARG 705 -26.385  11.067 -24.067
  871    H    THR 706           H        THR 706 -20.432  18.284 -21.553
  872    HA   THR 706           HA       THR 706 -21.573  20.546 -20.187
  873    HB   THR 706           HB       THR 706 -19.384  20.433 -18.878
  874    HG1  THR 706           HG1      THR 706 -18.993  17.989 -20.298
  875   HG21  THR 706          HG21      THR 706 -21.428  19.259 -18.128
  876   HG22  THR 706          HG22      THR 706 -20.958  17.822 -19.064
  877   HG23  THR 706          HG23      THR 706 -19.960  18.381 -17.698
  878    H    GLY 707           H        GLY 707 -18.914  20.005 -22.440
  879    HA2  GLY 707           HA2      GLY 707 -17.384  22.055 -22.811
  880    HA3  GLY 707           HA3      GLY 707 -18.231  21.299 -24.151
  Start of MODEL   16
    1    H1   MET   1           H1       MET   1   3.554  -1.617  -3.204
    2    H2   MET   1           H2       MET   1   4.653  -2.837  -2.993
    3    H3   MET   1           H3       MET   1   5.128  -1.269  -2.971
    4    HA   MET   1           HA       MET   1   5.806  -2.205  -5.041
    5    HB2  MET   1           HB2      MET   1   4.310  -3.048  -6.645
    6    HB3  MET   1           HB3      MET   1   4.137  -4.022  -5.186
    7    HG2  MET   1           HG2      MET   1   1.938  -2.743  -4.809
    8    HG3  MET   1           HG3      MET   1   2.205  -2.008  -6.408
    9    HE1  MET   1           HE1      MET   1  -0.452  -3.180  -6.690
   10    HE2  MET   1           HE2      MET   1   0.504  -2.993  -8.190
   11    HE3  MET   1           HE3      MET   1  -0.350  -4.510  -7.852
   12    H    GLN   2           H        GLN   2   5.286  -1.131  -7.344
   13    HA   GLN   2           HA       GLN   2   3.884   1.452  -6.934
   14    HB2  GLN   2           HB2      GLN   2   5.571   2.625  -7.982
   15    HB3  GLN   2           HB3      GLN   2   6.470   1.524  -6.961
   16    HG2  GLN   2           HG2      GLN   2   6.032   1.173  -9.981
   17    HG3  GLN   2           HG3      GLN   2   7.424   1.913  -9.230
   18   HE21  GLN   2          HE22      GLN   2   9.128   0.499  -9.674
   19   HE22  GLN   2          HE21      GLN   2   9.076  -1.216  -9.326
   20    H    ILE   3           H        ILE   3   2.839   2.302  -8.808
   21    HA   ILE   3           HA       ILE   3   2.764   0.538 -11.261
   22    HB   ILE   3           HB       ILE   3   0.300   0.834 -11.374
   23   HG12  ILE   3          HG12      ILE   3   0.309   1.402  -8.381
   24   HG13  ILE   3          HG13      ILE   3   0.439   2.720  -9.524
   25   HG21  ILE   3          HG21      ILE   3   1.226  -0.836  -8.963
   26   HG22  ILE   3          HG22      ILE   3  -0.205  -1.105  -9.974
   27   HG23  ILE   3          HG23      ILE   3   1.419  -1.304 -10.655
   28   HD11  ILE   3          HD11      ILE   3  -1.856   2.437  -8.908
   29   HD12  ILE   3          HD12      ILE   3  -1.592   2.116 -10.639
   30   HD13  ILE   3          HD13      ILE   3  -1.841   0.751  -9.510
   31    H    PHE   4           H        PHE   4   1.997   1.584 -13.099
   32    HA   PHE   4           HA       PHE   4   2.747   4.469 -13.031
   33    HB2  PHE   4           HB2      PHE   4   2.817   2.741 -15.498
   34    HB3  PHE   4           HB3      PHE   4   3.713   4.200 -15.074
   35    HD1  PHE   4           HD2      PHE   4   5.133   3.866 -12.797
   36    HD2  PHE   4           HD1      PHE   4   4.101   0.765 -15.580
   37    HE1  PHE   4           HE2      PHE   4   6.988   2.465 -11.926
   38    HE2  PHE   4           HE1      PHE   4   6.102  -0.518 -14.856
   39    HZ   PHE   4           HZ       PHE   4   7.539   0.310 -13.041
   40    H    VAL   5           H        VAL   5   0.776   5.569 -12.888
   41    HA   VAL   5           HA       VAL   5  -1.493   4.585 -14.557
   42    HB   VAL   5           HB       VAL   5  -1.452   6.818 -12.516
   43   HG11  VAL   5          HG11      VAL   5  -3.887   6.622 -12.644
   44   HG12  VAL   5          HG12      VAL   5  -3.193   7.036 -14.230
   45   HG13  VAL   5          HG13      VAL   5  -3.766   5.385 -13.920
   46   HG21  VAL   5          HG21      VAL   5  -2.401   3.923 -12.273
   47   HG22  VAL   5          HG22      VAL   5  -0.988   4.587 -11.495
   48   HG23  VAL   5          HG23      VAL   5  -2.611   5.190 -11.077
   49    H    LYS   6           H        LYS   6  -1.199   5.101 -16.676
   50    HA   LYS   6           HA       LYS   6   0.043   7.607 -17.529
   51    HB2  LYS   6           HB2      LYS   6  -0.127   5.352 -18.846
   52    HB3  LYS   6           HB3      LYS   6  -1.787   5.848 -19.202
   53    HG2  LYS   6           HG2      LYS   6  -0.738   8.114 -19.998
   54    HG3  LYS   6           HG3      LYS   6   0.822   7.292 -19.843
   55    HD2  LYS   6           HD2      LYS   6  -0.343   5.466 -21.354
   56    HD3  LYS   6           HD3      LYS   6  -1.447   6.815 -21.813
   57    HE2  LYS   6           HE2      LYS   6   0.381   8.144 -22.650
   58    HE3  LYS   6           HE3      LYS   6   1.596   7.111 -21.896
   59    HZ1  LYS   6           HZ1      LYS   6  -0.112   6.207 -24.164
   60    HZ2  LYS   6           HZ2      LYS   6   1.425   6.733 -24.303
   61    HZ3  LYS   6           HZ3      LYS   6   1.117   5.364 -23.468
   62    H    THR   7           H        THR   7  -1.038   9.591 -17.457
   63    HA   THR   7           HA       THR   7  -3.939   9.501 -17.160
   64    HB   THR   7           HB       THR   7  -3.863  11.821 -17.131
   65    HG1  THR   7           HG1      THR   7  -1.677  12.822 -17.226
   66   HG21  THR   7          HG21      THR   7  -2.591  12.234 -15.090
   67   HG22  THR   7          HG22      THR   7  -3.451  10.690 -15.039
   68   HG23  THR   7          HG23      THR   7  -1.694  10.707 -15.347
   69    H    LEU   8           H        LEU   8  -5.272  10.815 -18.521
   70    HA   LEU   8           HA       LEU   8  -4.938   9.859 -21.206
   71    HB2  LEU   8           HB2      LEU   8  -6.856  11.967 -20.229
   72    HB3  LEU   8           HB3      LEU   8  -6.755  11.331 -21.877
   73    HG   LEU   8           HG       LEU   8  -7.781   9.991 -19.407
   74   HD11  LEU   8          HD11      LEU   8  -9.424  11.077 -20.653
   75   HD12  LEU   8          HD12      LEU   8  -8.854  10.345 -22.181
   76   HD13  LEU   8          HD13      LEU   8  -9.624   9.358 -20.899
   77   HD21  LEU   8          HD21      LEU   8  -6.814   8.632 -21.970
   78   HD22  LEU   8          HD22      LEU   8  -6.243   8.279 -20.300
   79   HD23  LEU   8          HD23      LEU   8  -7.853   7.833 -20.796
   80    H    THR   9           H        THR   9  -3.429  12.641 -19.697
   81    HA   THR   9           HA       THR   9  -3.304  14.106 -22.168
   82    HB   THR   9           HB       THR   9  -3.302  15.329 -20.182
   83    HG1  THR   9           HG1      THR   9  -2.272  16.747 -21.139
   84   HG21  THR   9          HG21      THR   9  -2.318  14.252 -18.458
   85   HG22  THR   9          HG22      THR   9  -0.821  13.873 -19.370
   86   HG23  THR   9          HG23      THR   9  -1.156  15.523 -18.783
   87    H    GLY  10           H        GLY  10  -1.773  11.291 -21.036
   88    HA2  GLY  10           HA2      GLY  10  -0.014  10.105 -22.000
   89    HA3  GLY  10           HA3      GLY  10   0.488  11.548 -22.902
   90    H    LYS  11           H        LYS  11  -0.183  11.358 -19.304
   91    HA   LYS  11           HA       LYS  11   2.795  11.649 -18.910
   92    HB2  LYS  11           HB2      LYS  11   1.797  13.769 -18.422
   93    HB3  LYS  11           HB3      LYS  11   0.532  13.038 -17.441
   94    HG2  LYS  11           HG2      LYS  11   3.406  12.489 -16.707
   95    HG3  LYS  11           HG3      LYS  11   2.790  14.115 -16.416
   96    HD2  LYS  11           HD2      LYS  11   1.736  11.518 -15.226
   97    HD3  LYS  11           HD3      LYS  11   2.685  12.731 -14.392
   98    HE2  LYS  11           HE2      LYS  11  -0.128  13.179 -15.525
   99    HE3  LYS  11           HE3      LYS  11   0.235  12.681 -13.879
  100    HZ1  LYS  11           HZ1      LYS  11   1.012  15.296 -15.059
  101    HZ2  LYS  11           HZ2      LYS  11  -0.121  14.973 -13.895
  102    HZ3  LYS  11           HZ3      LYS  11   1.463  14.763 -13.560
  103    H    THR  12           H        THR  12   3.529   9.776 -17.994
  104    HA   THR  12           HA       THR  12   1.608   8.179 -16.447
  105    HB   THR  12           HB       THR  12   4.432   7.338 -16.523
  106    HG1  THR  12           HG1      THR  12   4.490   6.878 -18.714
  107   HG21  THR  12          HG21      THR  12   2.370   6.040 -15.807
  108   HG22  THR  12          HG22      THR  12   1.851   6.014 -17.520
  109   HG23  THR  12          HG23      THR  12   3.354   5.205 -17.052
  110    H    ILE  13           H        ILE  13   1.179   8.455 -14.482
  111    HA   ILE  13           HA       ILE  13   3.233   9.689 -12.735
  112    HB   ILE  13           HB       ILE  13   1.567  11.025 -12.400
  113   HG12  ILE  13          HG12      ILE  13   1.888   9.354 -10.259
  114   HG13  ILE  13          HG13      ILE  13   1.038  10.871 -10.274
  115   HG21  ILE  13          HG21      ILE  13  -0.136  10.354 -13.880
  116   HG22  ILE  13          HG22      ILE  13  -0.615   8.998 -12.837
  117   HG23  ILE  13          HG23      ILE  13  -0.834  10.708 -12.285
  118   HD11  ILE  13          HD11      ILE  13  -1.098   9.857 -10.200
  119   HD12  ILE  13          HD12      ILE  13  -0.413   8.260 -10.692
  120   HD13  ILE  13          HD13      ILE  13  -0.092   8.932  -9.088
  121    H    THR  14           H        THR  14   4.363   8.300 -11.620
  122    HA   THR  14           HA       THR  14   3.416   5.560 -11.293
  123    HB   THR  14           HB       THR  14   5.919   6.906 -10.310
  124    HG1  THR  14           HG1      THR  14   6.872   6.319 -12.205
  125   HG21  THR  14          HG21      THR  14   5.673   4.780  -9.162
  126   HG22  THR  14          HG22      THR  14   5.116   3.937 -10.621
  127   HG23  THR  14          HG23      THR  14   6.809   4.451 -10.474
  128    H    LEU  15           H        LEU  15   2.798   4.724  -9.227
  129    HA   LEU  15           HA       LEU  15   3.111   6.478  -6.898
  130    HB2  LEU  15           HB2      LEU  15   0.857   6.375  -6.204
  131    HB3  LEU  15           HB3      LEU  15   0.906   7.096  -7.826
  132    HG   LEU  15           HG       LEU  15   0.294   4.169  -7.761
  133   HD11  LEU  15          HD11      LEU  15  -1.686   6.284  -6.838
  134   HD12  LEU  15          HD12      LEU  15  -2.040   4.560  -7.145
  135   HD13  LEU  15          HD13      LEU  15  -0.977   5.009  -5.807
  136   HD21  LEU  15          HD21      LEU  15  -1.303   4.802  -9.370
  137   HD22  LEU  15          HD22      LEU  15  -0.924   6.532  -9.175
  138   HD23  LEU  15          HD23      LEU  15   0.314   5.432  -9.827
  139    H    GLU  16           H        GLU  16   2.711   5.356  -4.869
  140    HA   GLU  16           HA       GLU  16   3.397   2.512  -5.235
  141    HB2  GLU  16           HB2      GLU  16   4.017   4.509  -3.038
  142    HB3  GLU  16           HB3      GLU  16   4.096   2.758  -2.748
  143    HG2  GLU  16           HG2      GLU  16   5.622   2.485  -4.667
  144    HG3  GLU  16           HG3      GLU  16   5.623   4.230  -4.931
  145    H    VAL  17           H        VAL  17   2.234   1.003  -4.503
  146    HA   VAL  17           HA       VAL  17  -0.295   1.406  -2.992
  147    HB   VAL  17           HB       VAL  17  -1.573   0.315  -4.799
  148   HG11  VAL  17          HG11      VAL  17  -0.077   2.677  -5.976
  149   HG12  VAL  17          HG12      VAL  17  -1.673   2.072  -6.438
  150   HG13  VAL  17          HG13      VAL  17  -1.438   2.795  -4.834
  151   HG21  VAL  17          HG21      VAL  17   1.020   0.392  -6.413
  152   HG22  VAL  17          HG22      VAL  17   0.165  -1.059  -5.829
  153   HG23  VAL  17          HG23      VAL  17  -0.583  -0.034  -7.038
  154    H    GLU  18           H        GLU  18  -1.383  -0.990  -3.395
  155    HA   GLU  18           HA       GLU  18   0.549  -3.164  -2.858
  156    HB2  GLU  18           HB2      GLU  18  -2.173  -2.773  -1.504
  157    HB3  GLU  18           HB3      GLU  18  -1.123  -4.164  -1.345
  158    HG2  GLU  18           HG2      GLU  18  -0.909  -2.963   0.627
  159    HG3  GLU  18           HG3      GLU  18   0.600  -2.716  -0.264
  160    HA   PRO  19           HA       PRO  19  -2.137  -4.826  -6.158
  161    HB2  PRO  19           HB2      PRO  19  -2.334  -7.406  -4.670
  162    HB3  PRO  19           HB3      PRO  19  -1.802  -7.095  -6.352
  163    HG2  PRO  19           HG2      PRO  19  -0.048  -7.710  -4.308
  164    HG3  PRO  19           HG3      PRO  19   0.385  -6.677  -5.692
  165    HD2  PRO  19           HD2      PRO  19  -0.276  -5.871  -2.876
  166    HD3  PRO  19           HD3      PRO  19   0.832  -5.103  -4.059
  167    H    SER  20           H        SER  20  -2.912  -5.198  -2.691
  168    HA   SER  20           HA       SER  20  -5.774  -5.663  -3.148
  169    HB2  SER  20           HB2      SER  20  -5.602  -5.855  -0.564
  170    HB3  SER  20           HB3      SER  20  -4.826  -7.123  -1.528
  171    HG   SER  20           HG       SER  20  -3.437  -6.338   0.142
  172    H    ASP  21           H        ASP  21  -3.869  -3.012  -3.364
  173    HA   ASP  21           HA       ASP  21  -5.349  -1.338  -1.626
  174    HB2  ASP  21           HB2      ASP  21  -3.074  -0.776  -2.677
  175    HB3  ASP  21           HB3      ASP  21  -3.981  -0.411  -4.166
  176    H    THR  22           H        THR  22  -7.262  -0.282  -2.077
  177    HA   THR  22           HA       THR  22  -8.849  -1.402  -4.207
  178    HB   THR  22           HB       THR  22 -10.613   0.258  -3.399
  179    HG1  THR  22           HG1      THR  22 -10.181   0.955  -1.170
  180   HG21  THR  22          HG21      THR  22 -11.230  -1.157  -1.502
  181   HG22  THR  22          HG22      THR  22 -10.724  -2.071  -2.930
  182   HG23  THR  22          HG23      THR  22  -9.608  -1.914  -1.539
  183    H    ILE  23           H        ILE  23  -9.638  -0.451  -5.949
  184    HA   ILE  23           HA       ILE  23  -8.404   1.656  -7.306
  185    HB   ILE  23           HB       ILE  23 -11.355   1.038  -7.308
  186   HG12  ILE  23          HG12      ILE  23 -10.575  -1.042  -7.864
  187   HG13  ILE  23          HG13      ILE  23 -10.632  -0.276  -9.454
  188   HG21  ILE  23          HG21      ILE  23 -11.389   1.883  -9.601
  189   HG22  ILE  23          HG22      ILE  23 -10.759   3.135  -8.531
  190   HG23  ILE  23          HG23      ILE  23  -9.636   2.193  -9.530
  191   HD11  ILE  23          HD11      ILE  23  -8.170  -0.811  -7.781
  192   HD12  ILE  23          HD12      ILE  23  -8.636  -1.579  -9.293
  193   HD13  ILE  23          HD13      ILE  23  -8.165   0.141  -9.285
  194    H    GLU  24           H        GLU  24 -11.173   2.030  -4.926
  195    HA   GLU  24           HA       GLU  24 -11.480   4.793  -5.279
  196    HB2  GLU  24           HB2      GLU  24 -12.916   3.248  -3.886
  197    HB3  GLU  24           HB3      GLU  24 -11.680   3.262  -2.642
  198    HG2  GLU  24           HG2      GLU  24 -11.945   5.716  -2.397
  199    HG3  GLU  24           HG3      GLU  24 -13.141   5.731  -3.692
  200    H    ASN  25           H        ASN  25  -9.145   3.063  -3.184
  201    HA   ASN  25           HA       ASN  25  -8.211   5.566  -1.990
  202    HB2  ASN  25           HB2      ASN  25  -8.209   3.426  -0.743
  203    HB3  ASN  25           HB3      ASN  25  -7.058   2.765  -1.905
  204   HD21  ASN  25          HD22      ASN  25  -5.132   2.630  -0.859
  205   HD22  ASN  25          HD21      ASN  25  -4.437   3.863   0.204
  206    H    VAL  26           H        VAL  26  -7.175   3.406  -4.621
  207    HA   VAL  26           HA       VAL  26  -4.719   4.710  -5.275
  208    HB   VAL  26           HB       VAL  26  -6.804   3.104  -6.763
  209   HG11  VAL  26          HG11      VAL  26  -4.188   4.170  -7.858
  210   HG12  VAL  26          HG12      VAL  26  -5.100   2.816  -8.580
  211   HG13  VAL  26          HG13      VAL  26  -5.849   4.442  -8.455
  212   HG21  VAL  26          HG21      VAL  26  -3.958   2.337  -6.006
  213   HG22  VAL  26          HG22      VAL  26  -5.358   1.965  -4.999
  214   HG23  VAL  26          HG23      VAL  26  -5.261   1.271  -6.605
  215    H    LYS  27           H        LYS  27  -8.108   5.294  -6.569
  216    HA   LYS  27           HA       LYS  27  -7.400   7.572  -8.056
  217    HB2  LYS  27           HB2      LYS  27  -9.967   7.074  -6.459
  218    HB3  LYS  27           HB3      LYS  27  -9.774   8.408  -7.596
  219    HG2  LYS  27           HG2      LYS  27  -9.602   6.783  -9.467
  220    HG3  LYS  27           HG3      LYS  27  -9.917   5.465  -8.308
  221    HD2  LYS  27           HD2      LYS  27 -11.987   6.878  -7.583
  222    HD3  LYS  27           HD3      LYS  27 -11.706   7.812  -9.060
  223    HE2  LYS  27           HE2      LYS  27 -12.010   5.754 -10.401
  224    HE3  LYS  27           HE3      LYS  27 -12.307   4.840  -8.908
  225    HZ1  LYS  27           HZ1      LYS  27 -13.979   7.188  -9.719
  226    HZ2  LYS  27           HZ2      LYS  27 -14.405   5.626 -10.009
  227    HZ3  LYS  27           HZ3      LYS  27 -14.256   6.119  -8.469
  228    H    ALA  28           H        ALA  28  -8.000   7.349  -4.510
  229    HA   ALA  28           HA       ALA  28  -7.893  10.198  -4.099
  230    HB1  ALA  28           HB1      ALA  28  -7.582   9.659  -1.743
  231    HB2  ALA  28           HB2      ALA  28  -8.846   8.623  -2.437
  232    HB3  ALA  28           HB3      ALA  28  -7.219   7.978  -2.125
  233    H    LYS  29           H        LYS  29  -5.324   7.637  -4.266
  234    HA   LYS  29           HA       LYS  29  -3.177   9.480  -3.628
  235    HB2  LYS  29           HB2      LYS  29  -3.207   6.891  -5.209
  236    HB3  LYS  29           HB3      LYS  29  -1.747   7.819  -4.816
  237    HG2  LYS  29           HG2      LYS  29  -2.131   7.567  -2.436
  238    HG3  LYS  29           HG3      LYS  29  -3.718   6.815  -2.710
  239    HD2  LYS  29           HD2      LYS  29  -2.718   4.918  -3.828
  240    HD3  LYS  29           HD3      LYS  29  -1.089   5.624  -3.694
  241    HE2  LYS  29           HE2      LYS  29  -2.608   5.445  -1.141
  242    HE3  LYS  29           HE3      LYS  29  -2.260   3.867  -1.883
  243    HZ1  LYS  29           HZ1      LYS  29   0.103   4.468  -1.925
  244    HZ2  LYS  29           HZ2      LYS  29  -0.204   5.906  -1.179
  245    HZ3  LYS  29           HZ3      LYS  29  -0.472   4.501  -0.390
  246    H    ILE  30           H        ILE  30  -4.906   8.619  -6.680
  247    HA   ILE  30           HA       ILE  30  -3.173  10.209  -8.319
  248    HB   ILE  30           HB       ILE  30  -6.128   9.794  -8.839
  249   HG12  ILE  30          HG12      ILE  30  -5.548   7.551  -8.776
  250   HG13  ILE  30          HG13      ILE  30  -5.243   7.929 -10.445
  251   HG21  ILE  30          HG21      ILE  30  -3.713  10.414 -10.592
  252   HG22  ILE  30          HG22      ILE  30  -5.320  10.006 -11.224
  253   HG23  ILE  30          HG23      ILE  30  -5.116  11.461 -10.268
  254   HD11  ILE  30          HD11      ILE  30  -3.486   6.598  -9.646
  255   HD12  ILE  30          HD12      ILE  30  -2.783   8.255  -9.703
  256   HD13  ILE  30          HD13      ILE  30  -3.315   7.526  -8.157
  257    H    GLN  31           H        GLN  31  -6.034  11.091  -6.463
  258    HA   GLN  31           HA       GLN  31  -6.229  13.806  -7.173
  259    HB2  GLN  31           HB2      GLN  31  -7.871  12.523  -5.748
  260    HB3  GLN  31           HB3      GLN  31  -6.719  12.683  -4.420
  261    HG2  GLN  31           HG2      GLN  31  -7.008  15.334  -5.171
  262    HG3  GLN  31           HG3      GLN  31  -8.613  14.698  -5.496
  263   HE21  GLN  31          HE22      GLN  31  -9.911  13.898  -3.675
  264   HE22  GLN  31          HE21      GLN  31  -9.414  14.193  -2.026
  265    H    ASP  32           H        ASP  32  -4.103  12.164  -4.819
  266    HA   ASP  32           HA       ASP  32  -2.860  14.555  -3.820
  267    HB2  ASP  32           HB2      ASP  32  -2.566  12.560  -2.571
  268    HB3  ASP  32           HB3      ASP  32  -1.893  11.696  -3.937
  269    H    LYS  33           H        LYS  33  -2.223  12.497  -6.750
  270    HA   LYS  33           HA       LYS  33   0.257  13.954  -7.225
  271    HB2  LYS  33           HB2      LYS  33  -1.067  11.785  -8.820
  272    HB3  LYS  33           HB3      LYS  33   0.616  12.325  -8.875
  273    HG2  LYS  33           HG2      LYS  33  -0.135  11.457  -6.136
  274    HG3  LYS  33           HG3      LYS  33  -0.510  10.230  -7.305
  275    HD2  LYS  33           HD2      LYS  33   1.699   9.880  -6.335
  276    HD3  LYS  33           HD3      LYS  33   1.813  10.154  -8.062
  277    HE2  LYS  33           HE2      LYS  33   3.583  11.398  -7.209
  278    HE3  LYS  33           HE3      LYS  33   2.347  12.600  -7.569
  279    HZ1  LYS  33           HZ1      LYS  33   1.730  12.475  -5.093
  280    HZ2  LYS  33           HZ2      LYS  33   3.046  11.521  -4.874
  281    HZ3  LYS  33           HZ3      LYS  33   3.245  13.049  -5.389
  282    H    GLU  34           H        GLU  34  -2.954  13.896  -8.506
  283    HA   GLU  34           HA       GLU  34  -2.274  15.676 -10.771
  284    HB2  GLU  34           HB2      GLU  34  -4.505  13.629 -10.283
  285    HB3  GLU  34           HB3      GLU  34  -4.346  14.610 -11.754
  286    HG2  GLU  34           HG2      GLU  34  -2.535  12.414 -10.735
  287    HG3  GLU  34           HG3      GLU  34  -3.416  12.468 -12.262
  288    H    GLY  35           H        GLY  35  -4.567  15.246  -8.080
  289    HA2  GLY  35           HA2      GLY  35  -5.426  17.100  -6.914
  290    HA3  GLY  35           HA3      GLY  35  -5.390  18.078  -8.377
  291    H    ILE  36           H        ILE  36  -6.695  14.873  -8.902
  292    HA   ILE  36           HA       ILE  36  -9.305  16.181  -9.375
  293    HB   ILE  36           HB       ILE  36  -8.147  13.554 -10.333
  294   HG12  ILE  36          HG12      ILE  36  -8.437  16.208 -11.857
  295   HG13  ILE  36          HG13      ILE  36  -6.912  15.642 -11.172
  296   HG21  ILE  36          HG21      ILE  36 -10.025  13.515 -11.905
  297   HG22  ILE  36          HG22      ILE  36 -10.706  13.751 -10.298
  298   HG23  ILE  36          HG23      ILE  36 -10.546  15.135 -11.389
  299   HD11  ILE  36          HD11      ILE  36  -7.094  13.558 -12.482
  300   HD12  ILE  36          HD12      ILE  36  -8.506  14.255 -13.334
  301   HD13  ILE  36          HD13      ILE  36  -6.906  15.030 -13.459
  302    HA   PRO  37           HA       PRO  37 -10.682  13.756  -5.807
  303    HB2  PRO  37           HB2      PRO  37 -13.458  14.221  -6.196
  304    HB3  PRO  37           HB3      PRO  37 -12.312  15.148  -5.171
  305    HG2  PRO  37           HG2      PRO  37 -13.535  15.926  -7.726
  306    HG3  PRO  37           HG3      PRO  37 -12.609  16.913  -6.562
  307    HD2  PRO  37           HD2      PRO  37 -11.669  15.803  -9.089
  308    HD3  PRO  37           HD3      PRO  37 -10.791  16.816  -7.910
  309    HA   PRO  38           HA       PRO  38 -11.545   9.913  -7.684
  310    HB2  PRO  38           HB2      PRO  38 -12.997   8.523  -5.830
  311    HB3  PRO  38           HB3      PRO  38 -11.227   8.805  -5.730
  312    HG2  PRO  38           HG2      PRO  38 -13.430  10.308  -4.300
  313    HG3  PRO  38           HG3      PRO  38 -11.848   9.762  -3.653
  314    HD2  PRO  38           HD2      PRO  38 -12.250  12.324  -4.471
  315    HD3  PRO  38           HD3      PRO  38 -10.688  11.489  -4.751
  316    H    ASP  39           H        ASP  39 -14.449  11.465  -6.288
  317    HA   ASP  39           HA       ASP  39 -16.194   9.747  -7.789
  318    HB2  ASP  39           HB2      ASP  39 -16.889  11.005  -5.753
  319    HB3  ASP  39           HB3      ASP  39 -16.731  12.522  -6.635
  320    H    GLN  40           H        GLN  40 -14.232  12.365  -8.660
  321    HA   GLN  40           HA       GLN  40 -15.731  13.011 -11.153
  322    HB2  GLN  40           HB2      GLN  40 -15.238  14.834  -9.635
  323    HB3  GLN  40           HB3      GLN  40 -13.536  14.382  -9.534
  324    HG2  GLN  40           HG2      GLN  40 -13.026  15.191 -11.655
  325    HG3  GLN  40           HG3      GLN  40 -14.710  15.221 -12.184
  326   HE21  GLN  40          HE22      GLN  40 -16.183  16.838 -11.098
  327   HE22  GLN  40          HE21      GLN  40 -15.481  18.355 -10.561
  328    H    GLN  41           H        GLN  41 -13.713  10.556 -10.368
  329    HA   GLN  41           HA       GLN  41 -11.890  10.831 -12.728
  330    HB2  GLN  41           HB2      GLN  41 -11.081  11.509 -10.395
  331    HB3  GLN  41           HB3      GLN  41 -11.403   9.864  -9.879
  332    HG2  GLN  41           HG2      GLN  41  -9.744   9.209 -11.790
  333    HG3  GLN  41           HG3      GLN  41  -9.333  10.946 -11.765
  334   HE21  GLN  41          HE22      GLN  41  -9.314  11.526  -8.929
  335   HE22  GLN  41          HE21      GLN  41  -8.182  10.453  -8.154
  336    H    ARG  42           H        ARG  42 -11.477   8.875 -13.814
  337    HA   ARG  42           HA       ARG  42 -12.620   6.426 -12.524
  338    HB2  ARG  42           HB2      ARG  42 -13.361   7.581 -15.057
  339    HB3  ARG  42           HB3      ARG  42 -12.424   6.090 -15.392
  340    HG2  ARG  42           HG2      ARG  42 -13.952   4.712 -14.628
  341    HG3  ARG  42           HG3      ARG  42 -14.473   5.787 -13.288
  342    HD2  ARG  42           HD2      ARG  42 -15.766   7.136 -14.823
  343    HD3  ARG  42           HD3      ARG  42 -15.237   6.139 -16.208
  344    HE   ARG  42           HE       ARG  42 -16.530   4.684 -13.986
  345   HH11  ARG  42          HH11      ARG  42 -17.280   6.399 -17.037
  346   HH12  ARG  42          HH12      ARG  42 -18.902   5.772 -17.115
  347   HH21  ARG  42          HH21      ARG  42 -18.631   3.778 -14.210
  348   HH22  ARG  42          HH22      ARG  42 -19.614   4.206 -15.565
  349    H    LEU  43           H        LEU  43 -11.585   4.445 -13.235
  350    HA   LEU  43           HA       LEU  43  -8.729   4.843 -13.968
  351    HB2  LEU  43           HB2      LEU  43  -9.773   3.998 -11.422
  352    HB3  LEU  43           HB3      LEU  43  -9.290   2.519 -12.240
  353    HG   LEU  43           HG       LEU  43  -7.044   3.450 -12.640
  354   HD11  LEU  43          HD11      LEU  43  -7.473   5.921 -12.662
  355   HD12  LEU  43          HD12      LEU  43  -8.079   5.852 -11.007
  356   HD13  LEU  43          HD13      LEU  43  -6.364   5.536 -11.348
  357   HD21  LEU  43          HD21      LEU  43  -6.312   3.288 -10.340
  358   HD22  LEU  43          HD22      LEU  43  -7.924   3.694  -9.709
  359   HD23  LEU  43          HD23      LEU  43  -7.638   2.144 -10.562
  360    H    ILE  44           H        ILE  44  -8.217   3.687 -15.634
  361    HA   ILE  44           HA       ILE  44  -9.917   1.352 -16.437
  362    HB   ILE  44           HB       ILE  44  -8.601   3.446 -18.244
  363   HG12  ILE  44          HG12      ILE  44 -11.497   2.843 -17.465
  364   HG13  ILE  44          HG13      ILE  44 -10.580   4.284 -17.051
  365   HG21  ILE  44          HG21      ILE  44  -9.571   2.356 -20.145
  366   HG22  ILE  44          HG22      ILE  44  -8.473   1.257 -19.347
  367   HG23  ILE  44          HG23      ILE  44 -10.251   1.063 -19.129
  368   HD11  ILE  44          HD11      ILE  44 -12.101   4.913 -18.624
  369   HD12  ILE  44          HD12      ILE  44 -10.539   4.897 -19.469
  370   HD13  ILE  44          HD13      ILE  44 -11.709   3.577 -19.742
  371    H    PHE  45           H        PHE  45  -8.837  -0.423 -17.287
  372    HA   PHE  45           HA       PHE  45  -5.862  -0.339 -17.294
  373    HB2  PHE  45           HB2      PHE  45  -6.381  -1.137 -15.063
  374    HB3  PHE  45           HB3      PHE  45  -7.597  -2.258 -15.695
  375    HD1  PHE  45           HD1      PHE  45  -3.979  -1.486 -16.402
  376    HD2  PHE  45           HD2      PHE  45  -6.981  -4.509 -15.742
  377    HE1  PHE  45           HE1      PHE  45  -2.227  -3.236 -16.514
  378    HE2  PHE  45           HE2      PHE  45  -5.224  -6.263 -15.789
  379    HZ   PHE  45           HZ       PHE  45  -2.860  -5.643 -16.138
  380    H    ALA  46           H        ALA  46  -5.359  -1.066 -19.226
  381    HA   ALA  46           HA       ALA  46  -5.437  -2.083 -21.223
  382    HB1  ALA  46           HB1      ALA  46  -4.505  -3.746 -19.613
  383    HB2  ALA  46           HB2      ALA  46  -6.132  -4.416 -19.379
  384    HB3  ALA  46           HB3      ALA  46  -5.325  -4.563 -20.963
  385    H    GLY  47           H        GLY  47  -7.861  -0.878 -20.764
  386    HA2  GLY  47           HA2      GLY  47  -9.544  -0.545 -22.322
  387    HA3  GLY  47           HA3      GLY  47  -9.437  -2.224 -22.862
  388    H    LYS  48           H        LYS  48  -9.624  -2.045 -19.404
  389    HA   LYS  48           HA       LYS  48 -12.594  -1.883 -19.481
  390    HB2  LYS  48           HB2      LYS  48 -12.877  -3.747 -18.051
  391    HB3  LYS  48           HB3      LYS  48 -11.858  -4.235 -19.405
  392    HG2  LYS  48           HG2      LYS  48  -9.850  -4.085 -17.922
  393    HG3  LYS  48           HG3      LYS  48 -10.897  -3.596 -16.583
  394    HD2  LYS  48           HD2      LYS  48 -10.361  -5.930 -16.361
  395    HD3  LYS  48           HD3      LYS  48 -12.084  -5.771 -16.721
  396    HE2  LYS  48           HE2      LYS  48 -11.631  -6.336 -19.109
  397    HE3  LYS  48           HE3      LYS  48  -9.905  -6.451 -18.757
  398    HZ1  LYS  48           HZ1      LYS  48 -10.959  -8.625 -18.783
  399    HZ2  LYS  48           HZ2      LYS  48 -10.396  -8.327 -17.284
  400    HZ3  LYS  48           HZ3      LYS  48 -12.005  -8.214 -17.602
  401    H    GLN  49           H        GLN  49 -13.497  -0.687 -17.957
  402    HA   GLN  49           HA       GLN  49 -11.945   1.056 -16.235
  403    HB2  GLN  49           HB2      GLN  49 -13.878   1.859 -17.290
  404    HB3  GLN  49           HB3      GLN  49 -14.862   0.479 -16.832
  405    HG2  GLN  49           HG2      GLN  49 -13.813   2.213 -14.620
  406    HG3  GLN  49           HG3      GLN  49 -15.023   2.895 -15.709
  407   HE21  GLN  49          HE22      GLN  49 -17.093   1.639 -16.058
  408   HE22  GLN  49          HE21      GLN  49 -17.709   0.713 -14.709
  409    H    LEU  50           H        LEU  50 -11.830   0.995 -14.028
  410    HA   LEU  50           HA       LEU  50 -12.464  -1.620 -12.704
  411    HB2  LEU  50           HB2      LEU  50 -10.472   0.416 -11.681
  412    HB3  LEU  50           HB3      LEU  50 -10.609  -1.299 -11.308
  413    HG   LEU  50           HG       LEU  50  -9.467  -0.006 -13.791
  414   HD11  LEU  50          HD11      LEU  50  -7.364  -0.984 -13.037
  415   HD12  LEU  50          HD12      LEU  50  -8.052   0.030 -11.769
  416   HD13  LEU  50          HD13      LEU  50  -8.177  -1.745 -11.656
  417   HD21  LEU  50          HD21      LEU  50  -9.831  -1.875 -14.975
  418   HD22  LEU  50          HD22      LEU  50  -8.865  -2.803 -13.808
  419   HD23  LEU  50          HD23      LEU  50 -10.607  -2.666 -13.606
  420    H    GLU  51           H        GLU  51 -13.738  -1.482 -10.723
  421    HA   GLU  51           HA       GLU  51 -14.895   1.215 -10.395
  422    HB2  GLU  51           HB2      GLU  51 -16.848   0.242  -9.521
  423    HB3  GLU  51           HB3      GLU  51 -16.451  -0.563 -11.035
  424    HG2  GLU  51           HG2      GLU  51 -15.532  -2.464  -9.741
  425    HG3  GLU  51           HG3      GLU  51 -15.998  -1.632  -8.239
  426    H    ASP  52           H        ASP  52 -15.453   1.919  -8.250
  427    HA   ASP  52           HA       ASP  52 -13.077   2.337  -6.840
  428    HB2  ASP  52           HB2      ASP  52 -15.986   2.844  -6.197
  429    HB3  ASP  52           HB3      ASP  52 -14.745   3.190  -5.007
  430    H    GLY  53           H        GLY  53 -15.676   0.045  -6.159
  431    HA2  GLY  53           HA2      GLY  53 -14.702  -0.688  -3.550
  432    HA3  GLY  53           HA3      GLY  53 -16.035  -1.424  -4.470
  433    H    ARG  54           H        ARG  54 -13.088  -1.342  -6.252
  434    HA   ARG  54           HA       ARG  54 -12.556  -4.232  -5.672
  435    HB2  ARG  54           HB2      ARG  54 -12.554  -2.663  -8.268
  436    HB3  ARG  54           HB3      ARG  54 -11.998  -4.342  -8.110
  437    HG2  ARG  54           HG2      ARG  54 -14.822  -3.328  -7.660
  438    HG3  ARG  54           HG3      ARG  54 -14.250  -4.237  -9.063
  439    HD2  ARG  54           HD2      ARG  54 -13.770  -6.137  -7.476
  440    HD3  ARG  54           HD3      ARG  54 -14.552  -5.176  -6.210
  441    HE   ARG  54           HE       ARG  54 -16.612  -5.580  -7.095
  442   HH11  ARG  54          HH11      ARG  54 -14.168  -6.838  -9.398
  443   HH12  ARG  54          HH12      ARG  54 -15.352  -7.592 -10.413
  444   HH21  ARG  54          HH21      ARG  54 -18.146  -6.622  -8.442
  445   HH22  ARG  54          HH22      ARG  54 -17.648  -7.495  -9.841
  446    H    THR  55           H        THR  55 -10.245  -4.739  -6.802
  447    HA   THR  55           HA       THR  55  -8.388  -2.648  -5.783
  448    HB   THR  55           HB       THR  55  -7.117  -4.515  -4.840
  449    HG1  THR  55           HG1      THR  55  -7.810  -6.544  -5.023
  450   HG21  THR  55          HG21      THR  55  -8.495  -5.026  -2.847
  451   HG22  THR  55          HG22      THR  55  -8.451  -3.316  -3.277
  452   HG23  THR  55          HG23      THR  55  -9.905  -4.298  -3.644
  453    H    LEU  56           H        LEU  56  -6.130  -3.280  -6.360
  454    HA   LEU  56           HA       LEU  56  -6.084  -3.464  -9.260
  455    HB2  LEU  56           HB2      LEU  56  -3.698  -3.839  -7.390
  456    HB3  LEU  56           HB3      LEU  56  -3.663  -3.314  -9.057
  457    HG   LEU  56           HG       LEU  56  -4.771  -1.729  -6.723
  458   HD11  LEU  56          HD11      LEU  56  -2.354  -1.811  -6.771
  459   HD12  LEU  56          HD12      LEU  56  -2.319  -1.344  -8.486
  460   HD13  LEU  56          HD13      LEU  56  -2.916  -0.200  -7.244
  461   HD21  LEU  56          HD21      LEU  56  -4.596  -1.060  -9.721
  462   HD22  LEU  56          HD22      LEU  56  -6.077  -1.234  -8.752
  463   HD23  LEU  56          HD23      LEU  56  -4.981   0.118  -8.458
  464    H    SER  57           H        SER  57  -5.422  -5.750  -6.639
  465    HA   SER  57           HA       SER  57  -4.701  -7.993  -8.182
  466    HB2  SER  57           HB2      SER  57  -5.589  -9.198  -6.127
  467    HB3  SER  57           HB3      SER  57  -4.284  -8.008  -5.881
  468    HG   SER  57           HG       SER  57  -6.122  -7.927  -4.358
  469    H    ASP  58           H        ASP  58  -7.954  -6.625  -7.484
  470    HA   ASP  58           HA       ASP  58  -9.445  -8.970  -8.219
  471    HB2  ASP  58           HB2      ASP  58 -10.376  -7.024  -6.991
  472    HB3  ASP  58           HB3      ASP  58 -10.232  -6.061  -8.466
  473    H    TYR  59           H        TYR  59  -7.630  -6.644  -9.956
  474    HA   TYR  59           HA       TYR  59  -8.642  -7.589 -12.609
  475    HB2  TYR  59           HB2      TYR  59  -7.374  -4.968 -11.804
  476    HB3  TYR  59           HB3      TYR  59  -7.829  -5.402 -13.453
  477    HD1  TYR  59           HD2      TYR  59 -10.350  -6.069 -13.838
  478    HD2  TYR  59           HD1      TYR  59  -8.934  -3.855 -10.404
  479    HE1  TYR  59           HE2      TYR  59 -12.641  -5.245 -13.421
  480    HE2  TYR  59           HE1      TYR  59 -11.200  -3.159  -9.913
  481    HH   TYR  59           HH       TYR  59 -14.035  -3.981 -12.002
  482    H    ASN  60           H        ASN  60  -6.366  -8.378 -10.573
  483    HA   ASN  60           HA       ASN  60  -4.497  -9.533 -10.643
  484    HB2  ASN  60           HB2      ASN  60  -5.965 -10.599 -12.611
  485    HB3  ASN  60           HB3      ASN  60  -4.626 -10.022 -13.610
  486   HD21  ASN  60          HD22      ASN  60  -5.359 -11.812 -10.568
  487   HD22  ASN  60          HD21      ASN  60  -4.033 -12.950 -10.697
  488    H    ILE  61           H        ILE  61  -4.430  -6.618 -11.347
  489    HA   ILE  61           HA       ILE  61  -1.988  -6.047 -12.787
  490    HB   ILE  61           HB       ILE  61  -3.631  -4.683 -10.650
  491   HG12  ILE  61          HG12      ILE  61  -3.498  -3.760 -13.527
  492   HG13  ILE  61          HG13      ILE  61  -4.587  -5.075 -13.084
  493   HG21  ILE  61          HG21      ILE  61  -1.367  -3.706 -10.562
  494   HG22  ILE  61          HG22      ILE  61  -1.391  -3.455 -12.322
  495   HG23  ILE  61          HG23      ILE  61  -2.472  -2.530 -11.266
  496   HD11  ILE  61          HD11      ILE  61  -5.741  -2.937 -13.038
  497   HD12  ILE  61          HD12      ILE  61  -5.696  -3.680 -11.425
  498   HD13  ILE  61          HD13      ILE  61  -4.619  -2.337 -11.790
  499    H    GLN  62           H        GLN  62   0.064  -5.820 -11.904
  500    HA   GLN  62           HA       GLN  62   0.528  -6.658  -9.077
  501    HB2  GLN  62           HB2      GLN  62   2.164  -7.393 -11.559
  502    HB3  GLN  62           HB3      GLN  62   2.530  -7.867  -9.895
  503    HG2  GLN  62           HG2      GLN  62   0.442  -9.194  -9.790
  504    HG3  GLN  62           HG3      GLN  62   0.039  -8.694 -11.434
  505   HE21  GLN  62          HE22      GLN  62   0.296 -10.414 -12.795
  506   HE22  GLN  62          HE21      GLN  62   1.661 -11.503 -12.785
  507    H    LYS  63           H        LYS  63   3.180  -6.052  -8.878
  508    HA   LYS  63           HA       LYS  63   3.444  -3.258  -8.946
  509    HB2  LYS  63           HB2      LYS  63   5.721  -3.689  -8.308
  510    HB3  LYS  63           HB3      LYS  63   4.742  -4.972  -7.554
  511    HG2  LYS  63           HG2      LYS  63   5.387  -6.444  -9.523
  512    HG3  LYS  63           HG3      LYS  63   6.548  -5.170  -9.961
  513    HD2  LYS  63           HD2      LYS  63   7.512  -5.343  -7.616
  514    HD3  LYS  63           HD3      LYS  63   6.457  -6.756  -7.360
  515    HE2  LYS  63           HE2      LYS  63   7.528  -7.843  -9.360
  516    HE3  LYS  63           HE3      LYS  63   8.590  -6.437  -9.521
  517    HZ1  LYS  63           HZ1      LYS  63   9.683  -8.250  -8.348
  518    HZ2  LYS  63           HZ2      LYS  63   9.533  -6.973  -7.343
  519    HZ3  LYS  63           HZ3      LYS  63   8.534  -8.266  -7.181
  520    H    GLU  64           H        GLU  64   4.978  -2.055 -10.082
  521    HA   GLU  64           HA       GLU  64   5.508  -1.013 -11.916
  522    HB2  GLU  64           HB2      GLU  64   7.509  -1.769 -12.965
  523    HB3  GLU  64           HB3      GLU  64   7.545  -2.239 -11.278
  524    HG2  GLU  64           HG2      GLU  64   6.827  -4.580 -12.150
  525    HG3  GLU  64           HG3      GLU  64   7.231  -3.927 -13.747
  526    H    SER  65           H        SER  65   3.106  -1.611 -12.209
  527    HA   SER  65           HA       SER  65   2.742  -2.666 -15.009
  528    HB2  SER  65           HB2      SER  65   0.913  -3.060 -12.617
  529    HB3  SER  65           HB3      SER  65   0.513  -3.486 -14.281
  530    HG   SER  65           HG       SER  65   2.719  -4.539 -12.815
  531    H    THR  66           H        THR  66   0.963  -1.688 -16.137
  532    HA   THR  66           HA       THR  66   0.867   1.170 -15.403
  533    HB   THR  66           HB       THR  66   0.504  -0.097 -18.149
  534    HG1  THR  66           HG1      THR  66   2.660   0.260 -18.463
  535   HG21  THR  66          HG21      THR  66   1.062   2.117 -19.061
  536   HG22  THR  66          HG22      THR  66  -0.389   2.219 -18.073
  537   HG23  THR  66          HG23      THR  66   1.166   2.792 -17.429
  538    H    LEU  67           H        LEU  67  -0.953   2.334 -15.510
  539    HA   LEU  67           HA       LEU  67  -3.601   1.034 -15.916
  540    HB2  LEU  67           HB2      LEU  67  -2.318   1.974 -13.495
  541    HB3  LEU  67           HB3      LEU  67  -3.448   3.232 -13.986
  542    HG   LEU  67           HG       LEU  67  -5.274   1.603 -14.017
  543   HD11  LEU  67          HD11      LEU  67  -4.914  -0.591 -12.982
  544   HD12  LEU  67          HD12      LEU  67  -3.855  -0.466 -14.385
  545   HD13  LEU  67          HD13      LEU  67  -3.159  -0.268 -12.783
  546   HD21  LEU  67          HD21      LEU  67  -4.729   2.994 -12.028
  547   HD22  LEU  67          HD22      LEU  67  -5.431   1.409 -11.579
  548   HD23  LEU  67          HD23      LEU  67  -3.691   1.692 -11.407
  549    H    HIS  68           H        HIS  68  -5.307   2.881 -16.023
  550    HA   HIS  68           HA       HIS  68  -4.202   5.203 -17.578
  551    HB2  HIS  68           HB2      HIS  68  -6.414   3.264 -18.172
  552    HB3  HIS  68           HB3      HIS  68  -6.641   4.941 -18.631
  553    HD2  HIS  68           HD2      HIS  68  -5.695   5.684 -20.852
  554    HE1  HIS  68           HE1      HIS  68  -3.398   2.255 -21.876
  555    H    LEU  69           H        LEU  69  -4.974   7.279 -16.783
  556    HA   LEU  69           HA       LEU  69  -7.126   7.207 -14.687
  557    HB2  LEU  69           HB2      LEU  69  -4.983   8.214 -14.041
  558    HB3  LEU  69           HB3      LEU  69  -4.942   9.150 -15.527
  559    HG   LEU  69           HG       LEU  69  -5.281  10.357 -13.434
  560   HD11  LEU  69          HD11      LEU  69  -5.820  11.362 -15.666
  561   HD12  LEU  69          HD12      LEU  69  -7.522  10.961 -15.372
  562   HD13  LEU  69          HD13      LEU  69  -6.669  12.044 -14.283
  563   HD21  LEU  69          HD21      LEU  69  -7.330  10.440 -12.359
  564   HD22  LEU  69          HD22      LEU  69  -8.163   9.418 -13.565
  565   HD23  LEU  69          HD23      LEU  69  -6.941   8.717 -12.471
  566    H    VAL  70           H        VAL  70  -9.078   8.218 -15.292
  567    HA   VAL  70           HA       VAL  70  -8.916  10.182 -17.529
  568    HB   VAL  70           HB       VAL  70 -10.828   9.448 -18.613
  569   HG11  VAL  70          HG11      VAL  70  -8.790   7.937 -18.950
  570   HG12  VAL  70          HG12      VAL  70  -9.606   6.741 -17.947
  571   HG13  VAL  70          HG13      VAL  70 -10.370   7.284 -19.465
  572   HG21  VAL  70          HG21      VAL  70 -12.264   7.505 -17.954
  573   HG22  VAL  70          HG22      VAL  70 -11.303   7.461 -16.448
  574   HG23  VAL  70          HG23      VAL  70 -12.359   8.863 -16.826
  575    H    LEU  71           H        LEU  71 -10.624  11.682 -17.454
  576    HA   LEU  71           HA       LEU  71 -11.434  12.506 -14.741
  577    HB2  LEU  71           HB2      LEU  71 -10.622  13.900 -16.988
  578    HB3  LEU  71           HB3      LEU  71 -12.321  13.731 -17.344
  579    HG   LEU  71           HG       LEU  71 -10.944  15.640 -15.650
  580   HD11  LEU  71          HD11      LEU  71 -12.373  16.177 -17.572
  581   HD12  LEU  71          HD12      LEU  71 -13.766  15.395 -16.820
  582   HD13  LEU  71          HD13      LEU  71 -13.082  16.887 -16.109
  583   HD21  LEU  71          HD21      LEU  71 -12.580  15.936 -13.898
  584   HD22  LEU  71          HD22      LEU  71 -13.455  14.486 -14.376
  585   HD23  LEU  71          HD23      LEU  71 -11.817  14.364 -13.700
  586    H    ARG  72           H        ARG  72 -13.698  12.203 -14.169
  587    HA   ARG  72           HA       ARG  72 -15.544  11.577 -16.392
  588    HB2  ARG  72           HB2      ARG  72 -14.757   9.485 -15.077
  589    HB3  ARG  72           HB3      ARG  72 -15.630  10.121 -13.679
  590    HG2  ARG  72           HG2      ARG  72 -17.360  10.195 -16.083
  591    HG3  ARG  72           HG3      ARG  72 -16.650   8.622 -15.987
  592    HD2  ARG  72           HD2      ARG  72 -17.555   8.273 -13.728
  593    HD3  ARG  72           HD3      ARG  72 -18.047   9.947 -13.620
  594    HE   ARG  72           HE       ARG  72 -19.471   7.764 -14.859
  595   HH11  ARG  72          HH11      ARG  72 -19.165  11.318 -14.941
  596   HH12  ARG  72          HH12      ARG  72 -20.721  11.573 -15.683
  597   HH21  ARG  72          HH21      ARG  72 -21.550   8.116 -15.777
  598   HH22  ARG  72          HH22      ARG  72 -22.111   9.721 -16.073
  599    H    LEU  73           H        LEU  73 -15.023  13.987 -14.684
  600    HA   LEU  73           HA       LEU  73 -16.267  15.760 -14.009
  601    HB2  LEU  73           HB2      LEU  73 -18.629  14.310 -15.262
  602    HB3  LEU  73           HB3      LEU  73 -18.492  16.008 -14.914
  603    HG   LEU  73           HG       LEU  73 -18.222  15.678 -17.246
  604   HD11  LEU  73          HD11      LEU  73 -16.936  17.457 -16.236
  605   HD12  LEU  73          HD12      LEU  73 -15.545  16.400 -16.037
  606   HD13  LEU  73          HD13      LEU  73 -16.138  16.832 -17.666
  607   HD21  LEU  73          HD21      LEU  73 -15.738  13.988 -17.076
  608   HD22  LEU  73          HD22      LEU  73 -17.366  13.246 -17.120
  609   HD23  LEU  73          HD23      LEU  73 -16.851  14.277 -18.416
  610    H    ARG  74           H        ARG  74 -18.434  12.917 -13.190
  611    HA   ARG  74           HA       ARG  74 -18.423  13.512 -10.391
  612    HB2  ARG  74           HB2      ARG  74 -20.543  14.358 -10.078
  613    HB3  ARG  74           HB3      ARG  74 -19.964  15.285 -11.461
  614    HG2  ARG  74           HG2      ARG  74 -21.862  12.902 -11.702
  615    HG3  ARG  74           HG3      ARG  74 -22.400  14.538 -11.506
  616    HD2  ARG  74           HD2      ARG  74 -20.601  13.775 -13.835
  617    HD3  ARG  74           HD3      ARG  74 -22.354  13.553 -13.853
  618    HE   ARG  74           HE       ARG  74 -21.394  16.238 -13.081
  619   HH11  ARG  74          HH11      ARG  74 -22.465  14.271 -15.855
  620   HH12  ARG  74          HH12      ARG  74 -23.403  15.540 -16.554
  621   HH21  ARG  74          HH21      ARG  74 -22.573  17.945 -14.065
  622   HH22  ARG  74          HH22      ARG  74 -23.379  17.704 -15.564
  623    H    GLY  75           H        GLY  75 -19.828  11.850  -9.274
  624    HA2  GLY  75           HA2      GLY  75 -21.017   9.766 -11.052
  625    HA3  GLY  75           HA3      GLY  75 -19.940   9.315  -9.726
  626    H    GLY  76           H        GLY  76 -20.709  11.165  -7.726
  627    HA2  GLY  76           HA2      GLY  76 -23.380  11.817  -7.341
  628    HA3  GLY  76           HA3      GLY  76 -23.213  10.156  -6.750
  629    H1   GLY  -3           H1       GLY  -3 -11.233  12.724 -32.874
  630    H2   GLY  -3           H2       GLY  -3  -9.776  12.511 -33.602
  631    H3   GLY  -3           H3       GLY  -3 -10.460  13.996 -33.554
  632    HA2  GLY  -3           HA2      GLY  -3  -9.471  12.494 -31.228
  633    HA3  GLY  -3           HA3      GLY  -3  -8.661  13.877 -31.979
  634    H    HIS  -2           H        HIS  -2  -9.973  13.338 -29.180
  635    HA   HIS  -2           HA       HIS  -2 -11.275  15.980 -28.972
  636    HB2  HIS  -2           HB2      HIS  -2 -12.487  13.413 -27.842
  637    HB3  HIS  -2           HB3      HIS  -2 -13.064  15.050 -27.561
  638    HD2  HIS  -2           HD2      HIS  -2 -13.810  16.396 -30.039
  639    HE1  HIS  -2           HE1      HIS  -2 -15.320  12.771 -31.707
  640    H    MET  -1           H        MET  -1 -11.329  16.717 -26.787
  641    HA   MET  -1           HA       MET  -1 -10.013  15.439 -24.604
  642    HB2  MET  -1           HB2      MET  -1  -8.209  17.129 -24.338
  643    HB3  MET  -1           HB3      MET  -1  -7.946  16.116 -25.739
  644    HG2  MET  -1           HG2      MET  -1  -9.147  18.905 -25.900
  645    HG3  MET  -1           HG3      MET  -1  -7.420  18.581 -25.969
  646    HE1  MET  -1           HE1      MET  -1  -8.222  19.701 -29.607
  647    HE2  MET  -1           HE2      MET  -1  -8.970  20.291 -28.106
  648    HE3  MET  -1           HE3      MET  -1  -7.217  19.985 -28.170
  649    H    PHE 679           H        PHE 679  -9.935  17.306 -22.754
  650    HA   PHE 679           HA       PHE 679 -11.828  19.464 -23.314
  651    HB2  PHE 679           HB2      PHE 679 -13.356  17.808 -22.709
  652    HB3  PHE 679           HB3      PHE 679 -12.449  17.278 -21.331
  653    HD1  PHE 679           HD1      PHE 679 -13.524  20.753 -22.458
  654    HD2  PHE 679           HD2      PHE 679 -13.842  17.672 -19.454
  655    HE1  PHE 679           HE1      PHE 679 -14.874  22.265 -21.040
  656    HE2  PHE 679           HE2      PHE 679 -15.195  19.191 -18.037
  657    HZ   PHE 679           HZ       PHE 679 -15.703  21.502 -18.832
  658    HA   PRO 680           HA       PRO 680  -9.076  20.899 -19.858
  659    HB2  PRO 680           HB2      PRO 680  -8.152  19.421 -17.781
  660    HB3  PRO 680           HB3      PRO 680  -9.819  20.062 -17.815
  661    HG2  PRO 680           HG2      PRO 680  -8.885  17.288 -18.610
  662    HG3  PRO 680           HG3      PRO 680 -10.231  17.716 -17.503
  663    HD2  PRO 680           HD2      PRO 680 -10.647  17.137 -20.139
  664    HD3  PRO 680           HD3      PRO 680 -11.596  18.374 -19.264
  665    H    SER 681           H        SER 681  -6.646  20.867 -19.477
  666    HA   SER 681           HA       SER 681  -5.174  19.752 -21.567
  667    HB2  SER 681           HB2      SER 681  -4.095  20.534 -18.830
  668    HB3  SER 681           HB3      SER 681  -3.243  20.592 -20.381
  669    HG   SER 681           HG       SER 681  -4.043  22.673 -19.717
  670    H    ASP 682           H        ASP 682  -6.223  18.181 -18.657
  671    HA   ASP 682           HA       ASP 682  -4.316  16.087 -18.385
  672    HB2  ASP 682           HB2      ASP 682  -6.103  16.815 -16.743
  673    HB3  ASP 682           HB3      ASP 682  -7.264  16.023 -17.833
  674    H    ILE 683           H        ILE 683  -6.166  16.574 -21.140
  675    HA   ILE 683           HA       ILE 683  -6.202  13.642 -21.649
  676    HB   ILE 683           HB       ILE 683  -8.278  15.393 -22.834
  677   HG12  ILE 683          HG12      ILE 683  -8.608  15.961 -20.456
  678   HG13  ILE 683          HG13      ILE 683  -9.927  15.040 -21.120
  679   HG21  ILE 683          HG21      ILE 683  -8.711  12.676 -21.866
  680   HG22  ILE 683          HG22      ILE 683  -9.340  13.530 -23.301
  681   HG23  ILE 683          HG23      ILE 683  -7.696  12.916 -23.311
  682   HD11  ILE 683          HD11      ILE 683  -9.445  13.129 -19.785
  683   HD12  ILE 683          HD12      ILE 683  -7.841  13.704 -19.353
  684   HD13  ILE 683          HD13      ILE 683  -9.259  14.528 -18.736
  685    H    ASP 684           H        ASP 684  -5.400  13.012 -23.590
  686    HA   ASP 684           HA       ASP 684  -4.747  14.946 -25.715
  687    HB2  ASP 684           HB2      ASP 684  -2.707  14.684 -24.396
  688    HB3  ASP 684           HB3      ASP 684  -2.840  12.921 -24.432
  689    HA   PRO 685           HA       PRO 685  -6.821  11.853 -28.104
  690    HB2  PRO 685           HB2      PRO 685  -4.616  12.372 -30.113
  691    HB3  PRO 685           HB3      PRO 685  -6.370  12.149 -30.401
  692    HG2  PRO 685           HG2      PRO 685  -5.327  14.639 -30.278
  693    HG3  PRO 685           HG3      PRO 685  -6.877  14.279 -29.446
  694    HD2  PRO 685           HD2      PRO 685  -4.122  14.549 -28.261
  695    HD3  PRO 685           HD3      PRO 685  -5.699  15.074 -27.610
  696    H    GLN 686           H        GLN 686  -3.202  11.367 -27.879
  697    HA   GLN 686           HA       GLN 686  -3.199   8.807 -29.096
  698    HB2  GLN 686           HB2      GLN 686  -1.178  10.225 -28.607
  699    HB3  GLN 686           HB3      GLN 686  -1.357   9.846 -26.892
  700    HG2  GLN 686           HG2      GLN 686  -1.181   7.339 -27.640
  701    HG3  GLN 686           HG3      GLN 686  -0.614   7.979 -29.177
  702   HE21  GLN 686          HE22      GLN 686   1.513   9.145 -29.166
  703   HE22  GLN 686          HE21      GLN 686   2.613   8.934 -27.828
  704    H    VAL 687           H        VAL 687  -3.381   9.655 -25.580
  705    HA   VAL 687           HA       VAL 687  -3.569   6.878 -24.762
  706    HB   VAL 687           HB       VAL 687  -4.442   9.343 -23.223
  707   HG11  VAL 687          HG11      VAL 687  -3.663   7.888 -21.272
  708   HG12  VAL 687          HG12      VAL 687  -5.052   7.256 -22.177
  709   HG13  VAL 687          HG13      VAL 687  -3.467   6.565 -22.450
  710   HG21  VAL 687          HG21      VAL 687  -2.272   9.994 -23.847
  711   HG22  VAL 687          HG22      VAL 687  -2.046   9.231 -22.279
  712   HG23  VAL 687          HG23      VAL 687  -1.640   8.337 -23.767
  713    H    PHE 688           H        PHE 688  -5.837   9.459 -25.505
  714    HA   PHE 688           HA       PHE 688  -8.212   8.323 -24.479
  715    HB2  PHE 688           HB2      PHE 688  -7.710  10.552 -24.706
  716    HB3  PHE 688           HB3      PHE 688  -7.546  10.452 -26.463
  717    HD1  PHE 688           HD1      PHE 688 -10.223   9.934 -23.831
  718    HD2  PHE 688           HD2      PHE 688  -9.310  10.694 -27.972
  719    HE1  PHE 688           HE1      PHE 688 -12.637  10.336 -24.296
  720    HE2  PHE 688           HE2      PHE 688 -11.706  11.069 -28.427
  721    HZ   PHE 688           HZ       PHE 688 -13.372  10.925 -26.583
  722    H    TYR 689           H        TYR 689  -6.356   7.864 -27.511
  723    HA   TYR 689           HA       TYR 689  -8.398   6.179 -28.763
  724    HB2  TYR 689           HB2      TYR 689  -5.475   6.734 -29.357
  725    HB3  TYR 689           HB3      TYR 689  -6.513   5.733 -30.367
  726    HD1  TYR 689           HD1      TYR 689  -8.966   7.916 -29.911
  727    HD2  TYR 689           HD2      TYR 689  -4.895   8.011 -31.354
  728    HE1  TYR 689           HE1      TYR 689  -9.512   9.854 -31.318
  729    HE2  TYR 689           HE2      TYR 689  -5.429   9.966 -32.756
  730    HH   TYR 689           HH       TYR 689  -7.089  11.441 -33.475
  731    H    GLU 690           H        GLU 690  -5.487   5.662 -26.708
  732    HA   GLU 690           HA       GLU 690  -5.307   2.807 -26.901
  733    HB2  GLU 690           HB2      GLU 690  -3.845   4.662 -25.649
  734    HB3  GLU 690           HB3      GLU 690  -4.926   4.242 -24.318
  735    HG2  GLU 690           HG2      GLU 690  -2.940   2.909 -24.134
  736    HG3  GLU 690           HG3      GLU 690  -4.261   1.838 -24.578
  737    H    LEU 691           H        LEU 691  -7.465   4.973 -25.350
  738    HA   LEU 691           HA       LEU 691  -8.572   3.419 -23.339
  739    HB2  LEU 691           HB2      LEU 691  -8.567   6.044 -24.247
  740    HB3  LEU 691           HB3      LEU 691 -10.192   5.566 -24.696
  741    HG   LEU 691           HG       LEU 691 -10.729   5.210 -22.379
  742   HD11  LEU 691          HD11      LEU 691  -8.928   5.850 -20.619
  743   HD12  LEU 691          HD12      LEU 691  -8.655   4.307 -21.413
  744   HD13  LEU 691          HD13      LEU 691  -7.753   5.738 -21.950
  745   HD21  LEU 691          HD21      LEU 691  -9.228   7.800 -22.630
  746   HD22  LEU 691          HD22      LEU 691 -10.809   7.484 -23.363
  747   HD23  LEU 691          HD23      LEU 691 -10.659   7.442 -21.619
  748    HA   PRO 692           HA       PRO 692 -11.870   1.051 -25.391
  749    HB2  PRO 692           HB2      PRO 692 -13.843   1.041 -23.457
  750    HB3  PRO 692           HB3      PRO 692 -12.339   0.085 -23.321
  751    HG2  PRO 692           HG2      PRO 692 -12.833   2.888 -22.219
  752    HG3  PRO 692           HG3      PRO 692 -12.309   1.424 -21.295
  753    HD2  PRO 692           HD2      PRO 692 -10.502   3.162 -22.173
  754    HD3  PRO 692           HD3      PRO 692 -10.184   1.439 -22.439
  755    H    GLU 693           H        GLU 693 -13.870   1.464 -26.503
  756    HA   GLU 693           HA       GLU 693 -14.269   4.219 -27.190
  757    HB2  GLU 693           HB2      GLU 693 -14.488   2.188 -28.678
  758    HB3  GLU 693           HB3      GLU 693 -15.974   1.780 -27.834
  759    HG2  GLU 693           HG2      GLU 693 -16.489   2.881 -29.924
  760    HG3  GLU 693           HG3      GLU 693 -17.012   3.890 -28.575
  761    H    ALA 694           H        ALA 694 -16.167   1.931 -25.167
  762    HA   ALA 694           HA       ALA 694 -18.447   3.622 -24.970
  763    HB1  ALA 694           HB1      ALA 694 -17.499   1.422 -23.087
  764    HB2  ALA 694           HB2      ALA 694 -19.138   2.115 -23.163
  765    HB3  ALA 694           HB3      ALA 694 -18.503   1.215 -24.548
  766    H    VAL 695           H        VAL 695 -15.555   3.327 -22.824
  767    HA   VAL 695           HA       VAL 695 -16.733   5.238 -20.964
  768    HB   VAL 695           HB       VAL 695 -13.777   4.592 -20.991
  769   HG11  VAL 695          HG11      VAL 695 -14.239   4.823 -18.459
  770   HG12  VAL 695          HG12      VAL 695 -14.460   6.316 -19.406
  771   HG13  VAL 695          HG13      VAL 695 -15.863   5.357 -18.890
  772   HG21  VAL 695          HG21      VAL 695 -15.991   2.906 -19.708
  773   HG22  VAL 695          HG22      VAL 695 -14.972   2.375 -21.062
  774   HG23  VAL 695          HG23      VAL 695 -14.231   2.676 -19.498
  775    H    GLN 696           H        GLN 696 -14.578   5.517 -23.838
  776    HA   GLN 696           HA       GLN 696 -14.057   8.311 -23.535
  777    HB2  GLN 696           HB2      GLN 696 -14.574   6.651 -26.056
  778    HB3  GLN 696           HB3      GLN 696 -14.113   8.339 -26.097
  779    HG2  GLN 696           HG2      GLN 696 -11.952   7.878 -25.192
  780    HG3  GLN 696           HG3      GLN 696 -12.380   6.247 -24.766
  781   HE21  GLN 696          HE22      GLN 696 -11.892   4.678 -26.349
  782   HE22  GLN 696          HE21      GLN 696 -11.598   5.016 -28.039
  783    H    LYS 697           H        LYS 697 -16.867   6.532 -24.888
  784    HA   LYS 697           HA       LYS 697 -18.443   8.682 -25.724
  785    HB2  LYS 697           HB2      LYS 697 -18.836   5.933 -25.495
  786    HB3  LYS 697           HB3      LYS 697 -19.937   6.539 -24.277
  787    HG2  LYS 697           HG2      LYS 697 -21.421   6.787 -25.920
  788    HG3  LYS 697           HG3      LYS 697 -20.524   8.212 -26.424
  789    HD2  LYS 697           HD2      LYS 697 -20.203   5.355 -27.453
  790    HD3  LYS 697           HD3      LYS 697 -20.942   6.717 -28.319
  791    HE2  LYS 697           HE2      LYS 697 -18.664   7.897 -28.200
  792    HE3  LYS 697           HE3      LYS 697 -17.995   6.391 -27.559
  793    HZ1  LYS 697           HZ1      LYS 697 -18.897   5.313 -29.658
  794    HZ2  LYS 697           HZ2      LYS 697 -19.150   6.816 -30.257
  795    HZ3  LYS 697           HZ3      LYS 697 -17.625   6.325 -29.859
  796    H    GLU 698           H        GLU 698 -18.216   7.296 -22.438
  797    HA   GLU 698           HA       GLU 698 -20.084   9.029 -21.157
  798    HB2  GLU 698           HB2      GLU 698 -18.383   7.065 -20.137
  799    HB3  GLU 698           HB3      GLU 698 -17.576   8.536 -19.571
  800    HG2  GLU 698           HG2      GLU 698 -18.934   8.262 -17.831
  801    HG3  GLU 698           HG3      GLU 698 -19.977   9.282 -18.805
  802    H    LEU 699           H        LEU 699 -16.594   9.281 -21.609
  803    HA   LEU 699           HA       LEU 699 -16.166  11.696 -20.218
  804    HB2  LEU 699           HB2      LEU 699 -14.720  10.041 -22.279
  805    HB3  LEU 699           HB3      LEU 699 -14.089  11.610 -21.947
  806    HG   LEU 699           HG       LEU 699 -13.349  11.081 -19.845
  807   HD11  LEU 699          HD11      LEU 699 -15.361   8.818 -19.569
  808   HD12  LEU 699          HD12      LEU 699 -14.125   9.275 -18.384
  809   HD13  LEU 699          HD13      LEU 699 -15.414  10.405 -18.737
  810   HD21  LEU 699          HD21      LEU 699 -12.211   9.687 -21.521
  811   HD22  LEU 699          HD22      LEU 699 -12.341   8.809 -19.974
  812   HD23  LEU 699          HD23      LEU 699 -13.419   8.394 -21.290
  813    H    LEU 700           H        LEU 700 -16.302  11.311 -23.800
  814    HA   LEU 700           HA       LEU 700 -16.142  14.097 -24.231
  815    HB2  LEU 700           HB2      LEU 700 -16.872  13.670 -26.522
  816    HB3  LEU 700           HB3      LEU 700 -15.588  12.599 -25.980
  817    HG   LEU 700           HG       LEU 700 -17.822  11.111 -25.384
  818   HD11  LEU 700          HD11      LEU 700 -18.457  12.462 -28.028
  819   HD12  LEU 700          HD12      LEU 700 -19.344  11.119 -27.267
  820   HD13  LEU 700          HD13      LEU 700 -19.346  12.718 -26.513
  821   HD21  LEU 700          HD21      LEU 700 -17.235   9.745 -27.324
  822   HD22  LEU 700          HD22      LEU 700 -16.324  11.105 -28.032
  823   HD23  LEU 700          HD23      LEU 700 -15.777  10.336 -26.527
  824    H    ALA 701           H        ALA 701 -19.050  12.041 -23.715
  825    HA   ALA 701           HA       ALA 701 -20.883  14.130 -24.455
  826    HB1  ALA 701           HB1      ALA 701 -21.427  11.733 -24.477
  827    HB2  ALA 701           HB2      ALA 701 -21.257  11.664 -22.707
  828    HB3  ALA 701           HB3      ALA 701 -22.556  12.642 -23.438
  829    H    GLU 702           H        GLU 702 -19.679  12.952 -21.264
  830    HA   GLU 702           HA       GLU 702 -21.108  14.923 -19.740
  831    HB2  GLU 702           HB2      GLU 702 -18.622  13.266 -19.162
  832    HB3  GLU 702           HB3      GLU 702 -19.499  14.201 -17.947
  833    HG2  GLU 702           HG2      GLU 702 -20.816  12.002 -19.518
  834    HG3  GLU 702           HG3      GLU 702 -19.914  11.752 -18.012
  835    H    TRP 703           H        TRP 703 -17.898  14.858 -21.302
  836    HA   TRP 703           HA       TRP 703 -16.859  17.044 -19.923
  837    HB2  TRP 703           HB2      TRP 703 -16.316  15.992 -22.727
  838    HB3  TRP 703           HB3      TRP 703 -15.441  17.339 -22.073
  839    HD1  TRP 703           HD1      TRP 703 -15.284  15.377 -19.133
  840    HE1  TRP 703           HE1      TRP 703 -13.485  13.614 -19.064
  841    HE3  TRP 703           HE3      TRP 703 -14.039  15.253 -24.097
  842    HZ2  TRP 703           HZ2      TRP 703 -11.478  12.475 -20.821
  843    HZ3  TRP 703           HZ3      TRP 703 -12.286  13.684 -24.877
  844    HH2  TRP 703           HH2      TRP 703 -11.052  12.268 -23.249
  845    H    LYS 704           H        LYS 704 -18.628  16.933 -23.071
  846    HA   LYS 704           HA       LYS 704 -18.681  19.829 -23.270
  847    HB2  LYS 704           HB2      LYS 704 -20.093  19.564 -25.172
  848    HB3  LYS 704           HB3      LYS 704 -18.802  18.362 -25.243
  849    HG2  LYS 704           HG2      LYS 704 -20.371  16.639 -24.387
  850    HG3  LYS 704           HG3      LYS 704 -21.686  17.828 -24.371
  851    HD2  LYS 704           HD2      LYS 704 -21.479  18.116 -26.788
  852    HD3  LYS 704           HD3      LYS 704 -20.092  16.993 -26.823
  853    HE2  LYS 704           HE2      LYS 704 -21.454  15.148 -26.060
  854    HE3  LYS 704           HE3      LYS 704 -22.827  16.207 -25.713
  855    HZ1  LYS 704           HZ1      LYS 704 -23.141  15.032 -27.818
  856    HZ2  LYS 704           HZ2      LYS 704 -23.024  16.631 -28.112
  857    HZ3  LYS 704           HZ3      LYS 704 -21.760  15.646 -28.443
  858    H    ARG 705           H        ARG 705 -20.801  17.462 -21.692
  859    HA   ARG 705           HA       ARG 705 -23.099  19.161 -21.419
  860    HB2  ARG 705           HB2      ARG 705 -22.042  16.749 -19.943
  861    HB3  ARG 705           HB3      ARG 705 -23.371  17.661 -19.241
  862    HG2  ARG 705           HG2      ARG 705 -24.814  17.243 -21.018
  863    HG3  ARG 705           HG3      ARG 705 -23.517  16.720 -22.115
  864    HD2  ARG 705           HD2      ARG 705 -23.107  14.725 -20.804
  865    HD3  ARG 705           HD3      ARG 705 -24.252  15.261 -19.547
  866    HE   ARG 705           HE       ARG 705 -25.606  15.058 -22.040
  867   HH11  ARG 705          HH11      ARG 705 -24.114  12.974 -19.524
  868   HH12  ARG 705          HH12      ARG 705 -25.126  11.617 -19.882
  869   HH21  ARG 705          HH22      ARG 705 -26.960  13.241 -22.469
  870   HH22  ARG 705          HH21      ARG 705 -26.778  11.770 -21.583
  871    H    THR 706           H        THR 706 -20.238  18.618 -19.178
  872    HA   THR 706           HA       THR 706 -21.226  20.674 -17.423
  873    HB   THR 706           HB       THR 706 -18.787  20.610 -16.565
  874    HG1  THR 706           HG1      THR 706 -17.650  19.720 -18.244
  875   HG21  THR 706          HG21      THR 706 -19.096  18.447 -15.463
  876   HG22  THR 706          HG22      THR 706 -20.639  19.304 -15.533
  877   HG23  THR 706          HG23      THR 706 -20.310  17.965 -16.667
  878    H    GLY 707           H        GLY 707 -18.839  20.520 -20.051
  879    HA2  GLY 707           HA2      GLY 707 -17.917  22.023 -21.425
  880    HA3  GLY 707           HA3      GLY 707 -19.575  22.623 -21.520
  Start of MODEL   17
    1    H1   MET   1           H1       MET   1   5.262  -1.156  -2.858
    2    H2   MET   1           H2       MET   1   3.745  -1.670  -3.133
    3    H3   MET   1           H3       MET   1   4.957  -2.768  -2.921
    4    HA   MET   1           HA       MET   1   6.071  -1.989  -4.925
    5    HB2  MET   1           HB2      MET   1   4.707  -2.974  -6.586
    6    HB3  MET   1           HB3      MET   1   4.547  -3.946  -5.129
    7    HG2  MET   1           HG2      MET   1   2.280  -2.860  -4.793
    8    HG3  MET   1           HG3      MET   1   2.509  -2.019  -6.342
    9    HE1  MET   1           HE1      MET   1   0.732  -3.059  -8.118
   10    HE2  MET   1           HE2      MET   1  -0.085  -4.557  -7.629
   11    HE3  MET   1           HE3      MET   1  -0.019  -3.174  -6.498
   12    H    GLN   2           H        GLN   2   5.206  -1.046  -7.313
   13    HA   GLN   2           HA       GLN   2   3.693   1.450  -6.819
   14    HB2  GLN   2           HB2      GLN   2   5.298   2.790  -7.871
   15    HB3  GLN   2           HB3      GLN   2   6.221   1.749  -6.781
   16    HG2  GLN   2           HG2      GLN   2   6.851   0.295  -8.695
   17    HG3  GLN   2           HG3      GLN   2   6.002   1.380  -9.797
   18   HE21  GLN   2          HE22      GLN   2   8.827   0.784 -10.038
   19   HE22  GLN   2          HE21      GLN   2   9.701   2.255  -9.712
   20    H    ILE   3           H        ILE   3   2.657   2.301  -8.717
   21    HA   ILE   3           HA       ILE   3   2.706   0.619 -11.220
   22    HB   ILE   3           HB       ILE   3   0.193   0.747 -11.319
   23   HG12  ILE   3          HG12      ILE   3   0.045   0.763  -8.345
   24   HG13  ILE   3          HG13      ILE   3   0.337   2.332  -9.059
   25   HG21  ILE   3          HG21      ILE   3   1.318  -1.030  -9.068
   26   HG22  ILE   3          HG22      ILE   3  -0.148  -1.323 -10.029
   27   HG23  ILE   3          HG23      ILE   3   1.442  -1.372 -10.803
   28   HD11  ILE   3          HD11      ILE   3  -2.064   1.828  -8.703
   29   HD12  ILE   3          HD12      ILE   3  -1.640   2.238 -10.387
   30   HD13  ILE   3          HD13      ILE   3  -1.950   0.535  -9.921
   31    H    PHE   4           H        PHE   4   1.771   1.687 -13.009
   32    HA   PHE   4           HA       PHE   4   2.481   4.571 -12.876
   33    HB2  PHE   4           HB2      PHE   4   2.570   2.838 -15.351
   34    HB3  PHE   4           HB3      PHE   4   3.408   4.335 -14.965
   35    HD1  PHE   4           HD2      PHE   4   4.799   4.010 -12.596
   36    HD2  PHE   4           HD1      PHE   4   4.054   1.010 -15.576
   37    HE1  PHE   4           HE2      PHE   4   6.764   2.714 -11.791
   38    HE2  PHE   4           HE1      PHE   4   6.125  -0.195 -14.851
   39    HZ   PHE   4           HZ       PHE   4   7.494   0.688 -13.000
   40    H    VAL   5           H        VAL   5   0.516   5.623 -12.705
   41    HA   VAL   5           HA       VAL   5  -1.748   4.683 -14.398
   42    HB   VAL   5           HB       VAL   5  -1.757   6.937 -12.386
   43   HG11  VAL   5          HG11      VAL   5  -4.023   5.386 -13.754
   44   HG12  VAL   5          HG12      VAL   5  -4.198   6.646 -12.507
   45   HG13  VAL   5          HG13      VAL   5  -3.528   7.055 -14.099
   46   HG21  VAL   5          HG21      VAL   5  -3.041   5.111 -11.043
   47   HG22  VAL   5          HG22      VAL   5  -2.261   3.951 -12.121
   48   HG23  VAL   5          HG23      VAL   5  -1.268   4.999 -11.120
   49    H    LYS   6           H        LYS   6  -1.420   5.193 -16.502
   50    HA   LYS   6           HA       LYS   6  -0.213   7.715 -17.357
   51    HB2  LYS   6           HB2      LYS   6  -0.369   5.446 -18.664
   52    HB3  LYS   6           HB3      LYS   6  -2.028   5.946 -19.024
   53    HG2  LYS   6           HG2      LYS   6  -0.908   8.226 -19.793
   54    HG3  LYS   6           HG3      LYS   6   0.599   7.309 -19.734
   55    HD2  LYS   6           HD2      LYS   6  -0.812   5.561 -21.157
   56    HD3  LYS   6           HD3      LYS   6  -1.812   6.996 -21.548
   57    HE2  LYS   6           HE2      LYS   6  -0.045   8.062 -22.677
   58    HE3  LYS   6           HE3      LYS   6   1.207   7.130 -21.853
   59    HZ1  LYS   6           HZ1      LYS   6   0.828   6.434 -24.213
   60    HZ2  LYS   6           HZ2      LYS   6   0.700   5.208 -23.147
   61    HZ3  LYS   6           HZ3      LYS   6  -0.651   5.826 -23.801
   62    H    THR   7           H        THR   7  -1.335   9.677 -17.334
   63    HA   THR   7           HA       THR   7  -4.236   9.538 -17.037
   64    HB   THR   7           HB       THR   7  -4.166  11.885 -17.096
   65    HG1  THR   7           HG1      THR   7  -1.913  12.828 -17.108
   66   HG21  THR   7          HG21      THR   7  -2.951  12.345 -15.032
   67   HG22  THR   7          HG22      THR   7  -3.822  10.815 -14.958
   68   HG23  THR   7          HG23      THR   7  -2.051  10.808 -15.210
   69    H    LEU   8           H        LEU   8  -5.580  10.805 -18.478
   70    HA   LEU   8           HA       LEU   8  -5.144   9.847 -21.153
   71    HB2  LEU   8           HB2      LEU   8  -7.140  11.892 -20.224
   72    HB3  LEU   8           HB3      LEU   8  -6.975  11.289 -21.872
   73    HG   LEU   8           HG       LEU   8  -7.985   9.838 -19.461
   74   HD11  LEU   8          HD11      LEU   8  -9.052  10.251 -22.244
   75   HD12  LEU   8          HD12      LEU   8  -9.832   9.252 -20.983
   76   HD13  LEU   8          HD13      LEU   8  -9.647  10.973 -20.721
   77   HD21  LEU   8          HD21      LEU   8  -7.009   8.594 -22.060
   78   HD22  LEU   8          HD22      LEU   8  -6.435   8.216 -20.394
   79   HD23  LEU   8          HD23      LEU   8  -8.033   7.744 -20.904
   80    H    THR   9           H        THR   9  -3.734  12.642 -19.615
   81    HA   THR   9           HA       THR   9  -3.574  14.095 -22.103
   82    HB   THR   9           HB       THR   9  -3.660  15.297 -20.052
   83    HG1  THR   9           HG1      THR   9  -2.731  16.790 -20.998
   84   HG21  THR   9          HG21      THR   9  -1.070  13.994 -19.297
   85   HG22  THR   9          HG22      THR   9  -1.485  15.626 -18.731
   86   HG23  THR   9          HG23      THR   9  -2.563  14.295 -18.355
   87    H    GLY  10           H        GLY  10  -2.045  11.325 -20.872
   88    HA2  GLY  10           HA2      GLY  10  -0.269  10.125 -21.750
   89    HA3  GLY  10           HA3      GLY  10   0.236  11.538 -22.710
   90    H    LYS  11           H        LYS  11  -0.471  11.430 -19.114
   91    HA   LYS  11           HA       LYS  11   2.500  11.770 -18.698
   92    HB2  LYS  11           HB2      LYS  11   1.466  13.861 -18.178
   93    HB3  LYS  11           HB3      LYS  11   0.213  13.097 -17.201
   94    HG2  LYS  11           HG2      LYS  11   3.087  12.589 -16.481
   95    HG3  LYS  11           HG3      LYS  11   2.434  14.194 -16.163
   96    HD2  LYS  11           HD2      LYS  11   1.392  11.579 -15.025
   97    HD3  LYS  11           HD3      LYS  11   2.404  12.734 -14.183
   98    HE2  LYS  11           HE2      LYS  11  -0.419  13.311 -15.224
   99    HE3  LYS  11           HE3      LYS  11  -0.018  12.782 -13.602
  100    HZ1  LYS  11           HZ1      LYS  11   0.795  15.382 -14.782
  101    HZ2  LYS  11           HZ2      LYS  11  -0.281  15.081 -13.559
  102    HZ3  LYS  11           HZ3      LYS  11   1.306  14.816 -13.311
  103    H    THR  12           H        THR  12   3.265   9.932 -17.736
  104    HA   THR  12           HA       THR  12   1.321   8.262 -16.277
  105    HB   THR  12           HB       THR  12   4.152   7.440 -16.580
  106    HG1  THR  12           HG1      THR  12   3.965   7.022 -18.768
  107   HG21  THR  12          HG21      THR  12   2.122   6.119 -15.676
  108   HG22  THR  12          HG22      THR  12   1.528   6.060 -17.366
  109   HG23  THR  12          HG23      THR  12   3.061   5.289 -16.963
  110    H    ILE  13           H        ILE  13   0.909   8.570 -14.302
  111    HA   ILE  13           HA       ILE  13   3.026   9.703 -12.562
  112    HB   ILE  13           HB       ILE  13   1.411  11.045 -12.165
  113   HG12  ILE  13          HG12      ILE  13   1.664   9.315 -10.040
  114   HG13  ILE  13          HG13      ILE  13   0.882  10.862 -10.024
  115   HG21  ILE  13          HG21      ILE  13  -0.309  10.440 -13.673
  116   HG22  ILE  13          HG22      ILE  13  -0.823   9.091 -12.628
  117   HG23  ILE  13          HG23      ILE  13  -0.997  10.794 -12.065
  118   HD11  ILE  13          HD11      ILE  13  -0.320   8.896  -8.930
  119   HD12  ILE  13          HD12      ILE  13  -1.274   9.974  -9.960
  120   HD13  ILE  13          HD13      ILE  13  -0.690   8.361 -10.550
  121    H    THR  14           H        THR  14   4.196   8.275 -11.548
  122    HA   THR  14           HA       THR  14   3.272   5.557 -11.123
  123    HB   THR  14           HB       THR  14   5.710   6.988 -10.089
  124    HG1  THR  14           HG1      THR  14   6.728   6.444 -11.977
  125   HG21  THR  14          HG21      THR  14   4.960   4.012 -10.428
  126   HG22  THR  14          HG22      THR  14   6.648   4.539 -10.367
  127   HG23  THR  14          HG23      THR  14   5.569   4.845  -8.991
  128    H    LEU  15           H        LEU  15   2.567   4.743  -9.115
  129    HA   LEU  15           HA       LEU  15   2.727   6.491  -6.751
  130    HB2  LEU  15           HB2      LEU  15   0.372   6.241  -6.245
  131    HB3  LEU  15           HB3      LEU  15   0.601   7.009  -7.822
  132    HG   LEU  15           HG       LEU  15   0.163   4.556  -8.738
  133   HD11  LEU  15          HD11      LEU  15  -1.282   4.601  -6.045
  134   HD12  LEU  15          HD12      LEU  15  -1.573   3.424  -7.329
  135   HD13  LEU  15          HD13      LEU  15  -0.002   3.457  -6.526
  136   HD21  LEU  15          HD21      LEU  15  -1.992   6.384  -7.593
  137   HD22  LEU  15          HD22      LEU  15  -1.225   6.501  -9.199
  138   HD23  LEU  15          HD23      LEU  15  -2.254   5.111  -8.815
  139    H    GLU  16           H        GLU  16   2.567   5.364  -4.755
  140    HA   GLU  16           HA       GLU  16   3.387   2.565  -5.149
  141    HB2  GLU  16           HB2      GLU  16   4.156   4.716  -3.167
  142    HB3  GLU  16           HB3      GLU  16   4.358   3.006  -2.740
  143    HG2  GLU  16           HG2      GLU  16   5.673   2.587  -4.723
  144    HG3  GLU  16           HG3      GLU  16   5.486   4.255  -5.271
  145    H    VAL  17           H        VAL  17   2.273   1.037  -4.447
  146    HA   VAL  17           HA       VAL  17   0.153   1.169  -2.386
  147    HB   VAL  17           HB       VAL  17  -1.459   0.209  -4.168
  148   HG11  VAL  17          HG11      VAL  17  -0.655   3.103  -4.407
  149   HG12  VAL  17          HG12      VAL  17  -2.203   2.379  -4.907
  150   HG13  VAL  17          HG13      VAL  17  -1.738   2.396  -3.202
  151   HG21  VAL  17          HG21      VAL  17   0.090  -0.322  -5.957
  152   HG22  VAL  17          HG22      VAL  17  -1.060   0.936  -6.471
  153   HG23  VAL  17          HG23      VAL  17   0.613   1.361  -6.098
  154    H    GLU  18           H        GLU  18  -1.086  -1.180  -3.007
  155    HA   GLU  18           HA       GLU  18   1.028  -3.274  -3.036
  156    HB2  GLU  18           HB2      GLU  18  -1.451  -3.275  -1.260
  157    HB3  GLU  18           HB3      GLU  18  -0.177  -4.491  -1.291
  158    HG2  GLU  18           HG2      GLU  18  -0.027  -1.643  -0.262
  159    HG3  GLU  18           HG3      GLU  18   0.059  -3.131   0.674
  160    HA   PRO  19           HA       PRO  19  -1.763  -5.018  -6.091
  161    HB2  PRO  19           HB2      PRO  19  -1.787  -7.619  -4.606
  162    HB3  PRO  19           HB3      PRO  19  -1.404  -7.292  -6.333
  163    HG2  PRO  19           HG2      PRO  19   0.543  -7.841  -4.483
  164    HG3  PRO  19           HG3      PRO  19   0.787  -6.719  -5.842
  165    HD2  PRO  19           HD2      PRO  19   0.275  -6.089  -2.952
  166    HD3  PRO  19           HD3      PRO  19   1.292  -5.220  -4.141
  167    H    SER  20           H        SER  20  -2.498  -5.465  -2.620
  168    HA   SER  20           HA       SER  20  -5.361  -5.949  -3.211
  169    HB2  SER  20           HB2      SER  20  -3.856  -6.171  -0.576
  170    HB3  SER  20           HB3      SER  20  -5.492  -6.743  -0.933
  171    HG   SER  20           HG       SER  20  -3.915  -8.440  -1.006
  172    H    ASP  21           H        ASP  21  -3.600  -3.288  -3.267
  173    HA   ASP  21           HA       ASP  21  -5.131  -1.803  -1.331
  174    HB2  ASP  21           HB2      ASP  21  -2.879  -0.987  -2.112
  175    HB3  ASP  21           HB3      ASP  21  -3.621  -0.673  -3.700
  176    H    THR  22           H        THR  22  -6.993  -0.660  -1.806
  177    HA   THR  22           HA       THR  22  -8.510  -1.728  -3.980
  178    HB   THR  22           HB       THR  22 -10.329  -0.179  -3.070
  179    HG1  THR  22           HG1      THR  22  -9.889   0.520  -0.875
  180   HG21  THR  22          HG21      THR  22  -9.135  -2.347  -1.320
  181   HG22  THR  22          HG22      THR  22 -10.788  -1.684  -1.181
  182   HG23  THR  22          HG23      THR  22 -10.309  -2.534  -2.657
  183    H    ILE  23           H        ILE  23  -9.402  -0.732  -5.659
  184    HA   ILE  23           HA       ILE  23  -8.235   1.389  -7.036
  185    HB   ILE  23           HB       ILE  23 -11.152   0.621  -6.902
  186   HG12  ILE  23          HG12      ILE  23 -10.221  -1.365  -7.565
  187   HG13  ILE  23          HG13      ILE  23 -10.473  -0.565  -9.101
  188   HG21  ILE  23          HG21      ILE  23 -11.341   1.504  -9.217
  189   HG22  ILE  23          HG22      ILE  23 -10.946   2.758  -8.047
  190   HG23  ILE  23          HG23      ILE  23  -9.663   2.099  -9.091
  191   HD11  ILE  23          HD11      ILE  23  -8.041   0.051  -9.140
  192   HD12  ILE  23          HD12      ILE  23  -7.846  -0.937  -7.662
  193   HD13  ILE  23          HD13      ILE  23  -8.378  -1.697  -9.164
  194    H    GLU  24           H        GLU  24 -10.889   1.750  -4.549
  195    HA   GLU  24           HA       GLU  24 -11.286   4.497  -4.951
  196    HB2  GLU  24           HB2      GLU  24 -12.611   2.957  -3.465
  197    HB3  GLU  24           HB3      GLU  24 -11.294   3.005  -2.287
  198    HG2  GLU  24           HG2      GLU  24 -11.592   5.470  -2.066
  199    HG3  GLU  24           HG3      GLU  24 -12.887   5.418  -3.266
  200    H    ASN  25           H        ASN  25  -8.796   2.824  -2.995
  201    HA   ASN  25           HA       ASN  25  -7.756   5.335  -1.926
  202    HB2  ASN  25           HB2      ASN  25  -7.731   3.156  -0.669
  203    HB3  ASN  25           HB3      ASN  25  -6.569   2.539  -1.842
  204   HD21  ASN  25          HD22      ASN  25  -4.834   2.303  -0.472
  205   HD22  ASN  25          HD21      ASN  25  -4.100   3.599   0.479
  206    H    VAL  26           H        VAL  26  -6.951   3.172  -4.633
  207    HA   VAL  26           HA       VAL  26  -4.493   4.413  -5.397
  208    HB   VAL  26           HB       VAL  26  -6.724   3.002  -6.883
  209   HG11  VAL  26          HG11      VAL  26  -5.643   4.369  -8.521
  210   HG12  VAL  26          HG12      VAL  26  -4.022   3.866  -7.961
  211   HG13  VAL  26          HG13      VAL  26  -5.102   2.685  -8.760
  212   HG21  VAL  26          HG21      VAL  26  -5.223   1.730  -5.178
  213   HG22  VAL  26          HG22      VAL  26  -5.524   1.032  -6.760
  214   HG23  VAL  26          HG23      VAL  26  -3.974   1.851  -6.425
  215    H    LYS  27           H        LYS  27  -7.905   5.043  -6.483
  216    HA   LYS  27           HA       LYS  27  -7.279   7.353  -7.996
  217    HB2  LYS  27           HB2      LYS  27  -9.809   6.700  -6.361
  218    HB3  LYS  27           HB3      LYS  27  -9.718   8.057  -7.484
  219    HG2  LYS  27           HG2      LYS  27  -9.499   6.600  -9.384
  220    HG3  LYS  27           HG3      LYS  27  -9.422   5.168  -8.331
  221    HD2  LYS  27           HD2      LYS  27 -11.685   5.668  -7.477
  222    HD3  LYS  27           HD3      LYS  27 -11.802   7.087  -8.533
  223    HE2  LYS  27           HE2      LYS  27 -11.718   5.674 -10.531
  224    HE3  LYS  27           HE3      LYS  27 -11.437   4.229  -9.539
  225    HZ1  LYS  27           HZ1      LYS  27 -13.940   5.868  -9.521
  226    HZ2  LYS  27           HZ2      LYS  27 -13.789   4.328 -10.086
  227    HZ3  LYS  27           HZ3      LYS  27 -13.632   4.642  -8.473
  228    H    ALA  28           H        ALA  28  -7.778   7.090  -4.416
  229    HA   ALA  28           HA       ALA  28  -7.690   9.936  -3.982
  230    HB1  ALA  28           HB1      ALA  28  -8.449   8.330  -2.246
  231    HB2  ALA  28           HB2      ALA  28  -6.779   7.722  -2.105
  232    HB3  ALA  28           HB3      ALA  28  -7.137   9.406  -1.687
  233    H    LYS  29           H        LYS  29  -5.074   7.478  -4.387
  234    HA   LYS  29           HA       LYS  29  -2.964   9.386  -3.748
  235    HB2  LYS  29           HB2      LYS  29  -2.949   6.764  -5.285
  236    HB3  LYS  29           HB3      LYS  29  -1.498   7.735  -4.945
  237    HG2  LYS  29           HG2      LYS  29  -1.808   7.555  -2.574
  238    HG3  LYS  29           HG3      LYS  29  -3.425   6.863  -2.749
  239    HD2  LYS  29           HD2      LYS  29  -2.573   4.800  -3.614
  240    HD3  LYS  29           HD3      LYS  29  -0.914   5.412  -3.704
  241    HE2  LYS  29           HE2      LYS  29  -2.384   5.547  -1.061
  242    HE3  LYS  29           HE3      LYS  29  -1.849   3.961  -1.616
  243    HZ1  LYS  29           HZ1      LYS  29  -0.022   6.279  -1.231
  244    HZ2  LYS  29           HZ2      LYS  29  -0.188   5.025  -0.202
  245    HZ3  LYS  29           HZ3      LYS  29   0.433   4.757  -1.692
  246    H    ILE  30           H        ILE  30  -4.880   8.667  -6.647
  247    HA   ILE  30           HA       ILE  30  -3.289  10.388  -8.365
  248    HB   ILE  30           HB       ILE  30  -6.255   9.922  -8.626
  249   HG12  ILE  30          HG12      ILE  30  -5.404   7.728  -8.607
  250   HG13  ILE  30          HG13      ILE  30  -5.627   8.119 -10.301
  251   HG21  ILE  30          HG21      ILE  30  -5.410  11.720 -10.025
  252   HG22  ILE  30          HG22      ILE  30  -4.133  10.651 -10.672
  253   HG23  ILE  30          HG23      ILE  30  -5.857  10.335 -11.005
  254   HD11  ILE  30          HD11      ILE  30  -3.179   8.468 -10.503
  255   HD12  ILE  30          HD12      ILE  30  -3.006   8.177  -8.753
  256   HD13  ILE  30          HD13      ILE  30  -3.629   6.879  -9.782
  257    H    GLN  31           H        GLN  31  -6.086  11.038  -6.226
  258    HA   GLN  31           HA       GLN  31  -6.270  13.806  -6.673
  259    HB2  GLN  31           HB2      GLN  31  -7.805  12.367  -5.214
  260    HB3  GLN  31           HB3      GLN  31  -6.586  12.559  -3.943
  261    HG2  GLN  31           HG2      GLN  31  -6.915  15.173  -4.523
  262    HG3  GLN  31           HG3      GLN  31  -8.495  14.598  -5.047
  263   HE21  GLN  31          HE22      GLN  31  -9.941  13.673  -3.418
  264   HE22  GLN  31          HE21      GLN  31  -9.603  13.847  -1.711
  265    H    ASP  32           H        ASP  32  -4.124  11.943  -4.521
  266    HA   ASP  32           HA       ASP  32  -2.805  14.182  -3.374
  267    HB2  ASP  32           HB2      ASP  32  -2.645  11.908  -2.466
  268    HB3  ASP  32           HB3      ASP  32  -1.696  11.402  -3.857
  269    H    LYS  33           H        LYS  33  -2.205  12.484  -6.503
  270    HA   LYS  33           HA       LYS  33   0.269  13.998  -6.939
  271    HB2  LYS  33           HB2      LYS  33  -1.216  11.858  -8.441
  272    HB3  LYS  33           HB3      LYS  33   0.323  12.570  -8.936
  273    HG2  LYS  33           HG2      LYS  33   0.037  11.382  -6.136
  274    HG3  LYS  33           HG3      LYS  33   0.262  10.330  -7.497
  275    HD2  LYS  33           HD2      LYS  33   2.332  11.782  -8.129
  276    HD3  LYS  33           HD3      LYS  33   2.172  12.458  -6.491
  277    HE2  LYS  33           HE2      LYS  33   2.233  10.076  -5.611
  278    HE3  LYS  33           HE3      LYS  33   2.510   9.523  -7.277
  279    HZ1  LYS  33           HZ1      LYS  33   4.331  11.320  -5.747
  280    HZ2  LYS  33           HZ2      LYS  33   4.601   9.739  -6.032
  281    HZ3  LYS  33           HZ3      LYS  33   4.598  10.793  -7.278
  282    H    GLU  34           H        GLU  34  -2.984  13.945  -8.138
  283    HA   GLU  34           HA       GLU  34  -2.377  15.856 -10.311
  284    HB2  GLU  34           HB2      GLU  34  -4.626  13.823  -9.909
  285    HB3  GLU  34           HB3      GLU  34  -4.408  14.847 -11.339
  286    HG2  GLU  34           HG2      GLU  34  -2.677  12.562 -10.376
  287    HG3  GLU  34           HG3      GLU  34  -3.566  12.695 -11.889
  288    H    GLY  35           H        GLY  35  -4.484  15.320  -7.519
  289    HA2  GLY  35           HA2      GLY  35  -5.501  17.054  -6.287
  290    HA3  GLY  35           HA3      GLY  35  -5.524  18.096  -7.710
  291    H    ILE  36           H        ILE  36  -6.511  14.909  -8.550
  292    HA   ILE  36           HA       ILE  36  -9.182  15.985  -9.072
  293    HB   ILE  36           HB       ILE  36  -7.903  13.332  -9.827
  294   HG12  ILE  36          HG12      ILE  36  -8.147  15.901 -11.502
  295   HG13  ILE  36          HG13      ILE  36  -6.653  15.338 -10.747
  296   HG21  ILE  36          HG21      ILE  36  -9.698  13.192 -11.498
  297   HG22  ILE  36          HG22      ILE  36 -10.427  13.417  -9.924
  298   HG23  ILE  36          HG23      ILE  36 -10.299  14.802 -11.033
  299   HD11  ILE  36          HD11      ILE  36  -8.224  13.951 -12.912
  300   HD12  ILE  36          HD12      ILE  36  -6.569  14.592 -12.983
  301   HD13  ILE  36          HD13      ILE  36  -6.925  13.159 -11.973
  302    HA   PRO  37           HA       PRO  37 -10.652  13.502  -5.538
  303    HB2  PRO  37           HB2      PRO  37 -13.391  14.080  -5.888
  304    HB3  PRO  37           HB3      PRO  37 -12.194  15.021  -4.930
  305    HG2  PRO  37           HG2      PRO  37 -13.425  15.686  -7.529
  306    HG3  PRO  37           HG3      PRO  37 -12.587  16.728  -6.353
  307    HD2  PRO  37           HD2      PRO  37 -11.500  15.622  -8.816
  308    HD3  PRO  37           HD3      PRO  37 -10.691  16.652  -7.603
  309    HA   PRO  38           HA       PRO  38 -11.672   9.880  -7.780
  310    HB2  PRO  38           HB2      PRO  38 -12.820   8.221  -5.981
  311    HB3  PRO  38           HB3      PRO  38 -11.094   8.717  -5.925
  312    HG2  PRO  38           HG2      PRO  38 -13.378   9.867  -4.314
  313    HG3  PRO  38           HG3      PRO  38 -11.764   9.348  -3.731
  314    HD2  PRO  38           HD2      PRO  38 -12.314  11.955  -4.314
  315    HD3  PRO  38           HD3      PRO  38 -10.705  11.238  -4.662
  316    H    ASP  39           H        ASP  39 -14.467  11.328  -6.124
  317    HA   ASP  39           HA       ASP  39 -16.355   9.889  -7.665
  318    HB2  ASP  39           HB2      ASP  39 -16.953  11.255  -5.695
  319    HB3  ASP  39           HB3      ASP  39 -16.542  12.730  -6.576
  320    H    GLN  40           H        GLN  40 -14.149  12.400  -8.516
  321    HA   GLN  40           HA       GLN  40 -15.642  13.158 -10.971
  322    HB2  GLN  40           HB2      GLN  40 -14.875  14.894  -9.514
  323    HB3  GLN  40           HB3      GLN  40 -13.233  14.257  -9.469
  324    HG2  GLN  40           HG2      GLN  40 -12.693  15.004 -11.580
  325    HG3  GLN  40           HG3      GLN  40 -14.376  15.141 -12.104
  326   HE21  GLN  40          HE22      GLN  40 -15.720  16.903 -11.128
  327   HE22  GLN  40          HE21      GLN  40 -14.921  18.383 -10.610
  328    H    GLN  41           H        GLN  41 -13.230  10.788 -10.155
  329    HA   GLN  41           HA       GLN  41 -11.966  11.032 -12.853
  330    HB2  GLN  41           HB2      GLN  41 -10.017  11.057 -11.796
  331    HB3  GLN  41           HB3      GLN  41 -10.911  11.332 -10.286
  332    HG2  GLN  41           HG2      GLN  41 -10.993   8.943  -9.869
  333    HG3  GLN  41           HG3      GLN  41  -9.956   8.686 -11.307
  334   HE21  GLN  41          HE22      GLN  41  -9.679  11.176  -8.598
  335   HE22  GLN  41          HE21      GLN  41  -8.167  10.509  -8.053
  336    H    ARG  42           H        ARG  42 -11.666   9.019 -13.997
  337    HA   ARG  42           HA       ARG  42 -12.933   6.654 -12.663
  338    HB2  ARG  42           HB2      ARG  42 -13.617   7.828 -15.181
  339    HB3  ARG  42           HB3      ARG  42 -12.747   6.283 -15.529
  340    HG2  ARG  42           HG2      ARG  42 -14.265   4.969 -14.626
  341    HG3  ARG  42           HG3      ARG  42 -14.905   6.206 -13.493
  342    HD2  ARG  42           HD2      ARG  42 -16.016   7.339 -15.435
  343    HD3  ARG  42           HD3      ARG  42 -15.418   6.049 -16.496
  344    HE   ARG  42           HE       ARG  42 -16.769   4.812 -14.335
  345   HH11  ARG  42          HH21      ARG  42 -17.663   6.840 -17.135
  346   HH12  ARG  42          HH22      ARG  42 -19.258   6.139 -17.266
  347   HH21  ARG  42          HH11      ARG  42 -18.928   4.058 -14.429
  348   HH22  ARG  42          HH12      ARG  42 -19.983   4.594 -15.687
  349    H    LEU  43           H        LEU  43 -11.903   4.563 -13.332
  350    HA   LEU  43           HA       LEU  43  -9.035   4.928 -14.049
  351    HB2  LEU  43           HB2      LEU  43 -10.005   4.242 -11.468
  352    HB3  LEU  43           HB3      LEU  43  -9.615   2.701 -12.206
  353    HG   LEU  43           HG       LEU  43  -7.303   3.481 -12.635
  354   HD11  LEU  43          HD11      LEU  43  -6.593   5.613 -11.378
  355   HD12  LEU  43          HD12      LEU  43  -7.558   5.911 -12.828
  356   HD13  LEU  43          HD13      LEU  43  -8.317   6.026 -11.243
  357   HD21  LEU  43          HD21      LEU  43  -7.984   2.260 -10.531
  358   HD22  LEU  43          HD22      LEU  43  -6.645   3.383 -10.281
  359   HD23  LEU  43          HD23      LEU  43  -8.254   3.829  -9.734
  360    H    ILE  44           H        ILE  44  -8.544   3.750 -15.656
  361    HA   ILE  44           HA       ILE  44 -10.141   1.332 -16.394
  362    HB   ILE  44           HB       ILE  44  -8.861   3.488 -18.150
  363   HG12  ILE  44          HG12      ILE  44 -11.765   2.674 -17.598
  364   HG13  ILE  44          HG13      ILE  44 -10.972   4.122 -16.989
  365   HG21  ILE  44          HG21      ILE  44  -9.515   2.504 -20.133
  366   HG22  ILE  44          HG22      ILE  44  -8.712   1.209 -19.269
  367   HG23  ILE  44          HG23      ILE  44 -10.514   1.265 -19.341
  368   HD11  ILE  44          HD11      ILE  44 -12.261   4.945 -18.600
  369   HD12  ILE  44          HD12      ILE  44 -10.689   4.850 -19.410
  370   HD13  ILE  44          HD13      ILE  44 -11.937   3.624 -19.762
  371    H    PHE  45           H        PHE  45  -8.978  -0.468 -17.181
  372    HA   PHE  45           HA       PHE  45  -6.009  -0.236 -17.186
  373    HB2  PHE  45           HB2      PHE  45  -6.454  -1.200 -15.006
  374    HB3  PHE  45           HB3      PHE  45  -7.659  -2.297 -15.684
  375    HD1  PHE  45           HD1      PHE  45  -4.074  -1.407 -16.388
  376    HD2  PHE  45           HD2      PHE  45  -6.965  -4.539 -15.760
  377    HE1  PHE  45           HE1      PHE  45  -2.269  -3.110 -16.552
  378    HE2  PHE  45           HE2      PHE  45  -5.155  -6.230 -15.808
  379    HZ   PHE  45           HZ       PHE  45  -2.810  -5.528 -16.213
  380    H    ALA  46           H        ALA  46  -5.436  -0.876 -19.152
  381    HA   ALA  46           HA       ALA  46  -5.447  -1.848 -21.182
  382    HB1  ALA  46           HB1      ALA  46  -6.048  -4.224 -19.363
  383    HB2  ALA  46           HB2      ALA  46  -5.254  -4.332 -20.955
  384    HB3  ALA  46           HB3      ALA  46  -4.445  -3.486 -19.617
  385    H    GLY  47           H        GLY  47  -7.861  -0.718 -20.809
  386    HA2  GLY  47           HA2      GLY  47  -9.555  -0.420 -22.343
  387    HA3  GLY  47           HA3      GLY  47  -9.366  -2.079 -22.933
  388    H    LYS  48           H        LYS  48  -9.656  -1.950 -19.478
  389    HA   LYS  48           HA       LYS  48 -12.624  -2.007 -19.586
  390    HB2  LYS  48           HB2      LYS  48 -12.832  -3.902 -18.267
  391    HB3  LYS  48           HB3      LYS  48 -11.491  -4.318 -19.331
  392    HG2  LYS  48           HG2      LYS  48  -9.910  -3.647 -17.435
  393    HG3  LYS  48           HG3      LYS  48 -11.322  -3.397 -16.413
  394    HD2  LYS  48           HD2      LYS  48 -10.395  -5.560 -15.932
  395    HD3  LYS  48           HD3      LYS  48 -11.957  -5.790 -16.731
  396    HE2  LYS  48           HE2      LYS  48 -10.743  -6.220 -18.894
  397    HE3  LYS  48           HE3      LYS  48  -9.207  -5.981 -18.064
  398    HZ1  LYS  48           HZ1      LYS  48  -9.711  -7.943 -16.703
  399    HZ2  LYS  48           HZ2      LYS  48 -11.160  -8.143 -17.457
  400    HZ3  LYS  48           HZ3      LYS  48  -9.769  -8.327 -18.287
  401    H    GLN  49           H        GLN  49 -13.525  -1.573 -17.321
  402    HA   GLN  49           HA       GLN  49 -12.023   0.701 -16.147
  403    HB2  GLN  49           HB2      GLN  49 -14.285   0.980 -17.325
  404    HB3  GLN  49           HB3      GLN  49 -14.977  -0.066 -16.066
  405    HG2  GLN  49           HG2      GLN  49 -14.080   1.666 -14.391
  406    HG3  GLN  49           HG3      GLN  49 -13.820   2.715 -15.791
  407   HE21  GLN  49          HE22      GLN  49 -16.337   1.819 -17.243
  408   HE22  GLN  49          HE21      GLN  49 -17.657   2.450 -16.304
  409    H    LEU  50           H        LEU  50 -11.945   0.790 -13.843
  410    HA   LEU  50           HA       LEU  50 -12.447  -1.843 -12.495
  411    HB2  LEU  50           HB2      LEU  50 -10.599   0.318 -11.464
  412    HB3  LEU  50           HB3      LEU  50 -10.815  -1.334 -10.954
  413    HG   LEU  50           HG       LEU  50  -8.869  -1.664 -11.910
  414   HD11  LEU  50          HD11      LEU  50 -10.037  -1.629 -14.686
  415   HD12  LEU  50          HD12      LEU  50  -8.903  -2.763 -13.921
  416   HD13  LEU  50          HD13      LEU  50 -10.605  -2.820 -13.507
  417   HD21  LEU  50          HD21      LEU  50  -8.453   0.686 -12.336
  418   HD22  LEU  50          HD22      LEU  50  -7.849  -0.304 -13.656
  419   HD23  LEU  50          HD23      LEU  50  -9.372   0.581 -13.870
  420    H    GLU  51           H        GLU  51 -13.338  -1.679 -10.205
  421    HA   GLU  51           HA       GLU  51 -14.796   0.894  -9.843
  422    HB2  GLU  51           HB2      GLU  51 -16.693  -0.214  -8.998
  423    HB3  GLU  51           HB3      GLU  51 -16.293  -0.911 -10.568
  424    HG2  GLU  51           HG2      GLU  51 -15.235  -2.832  -9.390
  425    HG3  GLU  51           HG3      GLU  51 -15.770  -2.117  -7.849
  426    H    ASP  52           H        ASP  52 -15.315   1.473  -7.660
  427    HA   ASP  52           HA       ASP  52 -12.922   1.948  -6.312
  428    HB2  ASP  52           HB2      ASP  52 -15.836   2.222  -5.522
  429    HB3  ASP  52           HB3      ASP  52 -14.557   2.652  -4.399
  430    H    GLY  53           H        GLY  53 -15.362  -0.508  -5.665
  431    HA2  GLY  53           HA2      GLY  53 -14.258  -1.259  -3.092
  432    HA3  GLY  53           HA3      GLY  53 -15.615  -2.003  -3.964
  433    H    ARG  54           H        ARG  54 -12.733  -1.776  -5.885
  434    HA   ARG  54           HA       ARG  54 -12.134  -4.670  -5.408
  435    HB2  ARG  54           HB2      ARG  54 -12.282  -3.023  -7.955
  436    HB3  ARG  54           HB3      ARG  54 -11.674  -4.693  -7.879
  437    HG2  ARG  54           HG2      ARG  54 -14.493  -3.738  -7.283
  438    HG3  ARG  54           HG3      ARG  54 -13.970  -4.621  -8.721
  439    HD2  ARG  54           HD2      ARG  54 -13.389  -6.532  -7.190
  440    HD3  ARG  54           HD3      ARG  54 -14.142  -5.610  -5.879
  441    HE   ARG  54           HE       ARG  54 -16.232  -6.028  -6.705
  442   HH11  ARG  54          HH11      ARG  54 -13.832  -7.207  -9.102
  443   HH12  ARG  54          HH12      ARG  54 -15.034  -7.957 -10.097
  444   HH21  ARG  54          HH21      ARG  54 -17.783  -7.091  -8.023
  445   HH22  ARG  54          HH22      ARG  54 -17.307  -7.925  -9.456
  446    H    THR  55           H        THR  55  -9.851  -5.106  -6.597
  447    HA   THR  55           HA       THR  55  -7.998  -3.009  -5.550
  448    HB   THR  55           HB       THR  55  -6.688  -4.948  -4.708
  449    HG1  THR  55           HG1      THR  55  -7.404  -6.939  -4.968
  450   HG21  THR  55          HG21      THR  55  -9.438  -4.713  -3.425
  451   HG22  THR  55          HG22      THR  55  -8.002  -5.433  -2.677
  452   HG23  THR  55          HG23      THR  55  -8.001  -3.717  -3.097
  453    H    LEU  56           H        LEU  56  -5.758  -3.542  -6.207
  454    HA   LEU  56           HA       LEU  56  -5.758  -3.653  -9.115
  455    HB2  LEU  56           HB2      LEU  56  -3.352  -4.074  -7.277
  456    HB3  LEU  56           HB3      LEU  56  -3.315  -3.553  -8.938
  457    HG   LEU  56           HG       LEU  56  -4.427  -1.970  -6.594
  458   HD11  LEU  56          HD11      LEU  56  -2.596  -0.442  -7.084
  459   HD12  LEU  56          HD12      LEU  56  -2.005  -2.040  -6.611
  460   HD13  LEU  56          HD13      LEU  56  -1.958  -1.554  -8.328
  461   HD21  LEU  56          HD21      LEU  56  -4.543  -0.113  -8.376
  462   HD22  LEU  56          HD22      LEU  56  -4.314  -1.360  -9.600
  463   HD23  LEU  56          HD23      LEU  56  -5.749  -1.397  -8.538
  464    H    SER  57           H        SER  57  -4.994  -6.022  -6.611
  465    HA   SER  57           HA       SER  57  -4.297  -8.214  -8.220
  466    HB2  SER  57           HB2      SER  57  -5.115  -9.488  -6.193
  467    HB3  SER  57           HB3      SER  57  -3.856  -8.256  -5.926
  468    HG   SER  57           HG       SER  57  -5.583  -8.226  -4.358
  469    H    ASP  58           H        ASP  58  -7.566  -6.921  -7.417
  470    HA   ASP  58           HA       ASP  58  -9.020  -9.265  -8.208
  471    HB2  ASP  58           HB2      ASP  58  -9.949  -7.404  -6.856
  472    HB3  ASP  58           HB3      ASP  58  -9.882  -6.362  -8.279
  473    H    TYR  59           H        TYR  59  -7.303  -6.834  -9.897
  474    HA   TYR  59           HA       TYR  59  -8.440  -7.632 -12.542
  475    HB2  TYR  59           HB2      TYR  59  -7.062  -5.093 -11.671
  476    HB3  TYR  59           HB3      TYR  59  -7.597  -5.426 -13.321
  477    HD1  TYR  59           HD2      TYR  59 -10.160  -6.109 -13.558
  478    HD2  TYR  59           HD1      TYR  59  -8.507  -3.954 -10.200
  479    HE1  TYR  59           HE2      TYR  59 -12.422  -5.289 -12.969
  480    HE2  TYR  59           HE1      TYR  59 -10.742  -3.279  -9.524
  481    HH   TYR  59           HH       TYR  59 -13.710  -4.067 -11.433
  482    H    ASN  60           H        ASN  60  -6.077  -8.569 -10.646
  483    HA   ASN  60           HA       ASN  60  -4.211  -9.704 -10.850
  484    HB2  ASN  60           HB2      ASN  60  -5.721 -10.658 -12.859
  485    HB3  ASN  60           HB3      ASN  60  -4.394 -10.026 -13.829
  486   HD21  ASN  60          HD22      ASN  60  -5.091 -11.990 -10.895
  487   HD22  ASN  60          HD21      ASN  60  -3.763 -13.116 -11.103
  488    H    ILE  61           H        ILE  61  -4.234  -6.732 -11.406
  489    HA   ILE  61           HA       ILE  61  -1.830  -6.064 -12.871
  490    HB   ILE  61           HB       ILE  61  -3.483  -4.796 -10.672
  491   HG12  ILE  61          HG12      ILE  61  -3.409  -3.847 -13.548
  492   HG13  ILE  61          HG13      ILE  61  -4.521  -5.126 -13.044
  493   HG21  ILE  61          HG21      ILE  61  -1.310  -3.469 -12.341
  494   HG22  ILE  61          HG22      ILE  61  -2.362  -2.627 -11.193
  495   HG23  ILE  61          HG23      ILE  61  -1.218  -3.812 -10.591
  496   HD11  ILE  61          HD11      ILE  61  -5.493  -3.649 -11.326
  497   HD12  ILE  61          HD12      ILE  61  -4.430  -2.348 -11.835
  498   HD13  ILE  61          HD13      ILE  61  -5.650  -2.975 -12.968
  499    H    GLN  62           H        GLN  62   0.237  -5.882 -12.003
  500    HA   GLN  62           HA       GLN  62   0.725  -6.748  -9.195
  501    HB2  GLN  62           HB2      GLN  62   2.400  -7.398 -11.676
  502    HB3  GLN  62           HB3      GLN  62   2.761  -7.876 -10.009
  503    HG2  GLN  62           HG2      GLN  62   0.711  -9.274  -9.955
  504    HG3  GLN  62           HG3      GLN  62   0.328  -8.765 -11.603
  505   HE21  GLN  62          HE22      GLN  62   0.741 -10.405 -13.032
  506   HE22  GLN  62          HE21      GLN  62   2.137 -11.466 -12.967
  507    H    LYS  63           H        LYS  63   3.413  -6.014  -9.014
  508    HA   LYS  63           HA       LYS  63   3.449  -3.214  -9.053
  509    HB2  LYS  63           HB2      LYS  63   5.768  -3.466  -8.505
  510    HB3  LYS  63           HB3      LYS  63   4.907  -4.820  -7.729
  511    HG2  LYS  63           HG2      LYS  63   5.689  -6.322  -9.578
  512    HG3  LYS  63           HG3      LYS  63   6.611  -4.945 -10.249
  513    HD2  LYS  63           HD2      LYS  63   7.762  -4.687  -8.031
  514    HD3  LYS  63           HD3      LYS  63   6.854  -6.097  -7.452
  515    HE2  LYS  63           HE2      LYS  63   9.204  -6.569  -8.029
  516    HE3  LYS  63           HE3      LYS  63   8.047  -7.577  -8.912
  517    HZ1  LYS  63           HZ1      LYS  63   8.456  -6.318 -10.884
  518    HZ2  LYS  63           HZ2      LYS  63   9.300  -5.145 -10.103
  519    HZ3  LYS  63           HZ3      LYS  63   9.924  -6.647 -10.263
  520    H    GLU  64           H        GLU  64   4.843  -1.867 -10.132
  521    HA   GLU  64           HA       GLU  64   5.411  -0.731 -11.913
  522    HB2  GLU  64           HB2      GLU  64   7.004  -3.267 -12.458
  523    HB3  GLU  64           HB3      GLU  64   7.329  -1.684 -13.203
  524    HG2  GLU  64           HG2      GLU  64   7.830  -0.683 -11.088
  525    HG3  GLU  64           HG3      GLU  64   7.349  -2.129 -10.200
  526    H    SER  65           H        SER  65   2.987  -1.469 -12.215
  527    HA   SER  65           HA       SER  65   2.656  -2.479 -15.036
  528    HB2  SER  65           HB2      SER  65   0.889  -3.016 -12.623
  529    HB3  SER  65           HB3      SER  65   0.459  -3.401 -14.294
  530    HG   SER  65           HG       SER  65   2.758  -4.411 -12.945
  531    H    THR  66           H        THR  66   0.876  -1.511 -16.140
  532    HA   THR  66           HA       THR  66   0.694   1.312 -15.325
  533    HB   THR  66           HB       THR  66   0.400   0.062 -18.084
  534    HG1  THR  66           HG1      THR  66   2.537   0.505 -18.375
  535   HG21  THR  66          HG21      THR  66   0.961   2.973 -17.324
  536   HG22  THR  66          HG22      THR  66   0.875   2.311 -18.967
  537   HG23  THR  66          HG23      THR  66  -0.577   2.365 -17.971
  538    H    LEU  67           H        LEU  67  -1.167   2.433 -15.382
  539    HA   LEU  67           HA       LEU  67  -3.783   1.084 -15.771
  540    HB2  LEU  67           HB2      LEU  67  -2.500   1.956 -13.352
  541    HB3  LEU  67           HB3      LEU  67  -3.560   3.280 -13.804
  542    HG   LEU  67           HG       LEU  67  -5.460   1.663 -13.918
  543   HD11  LEU  67          HD11      LEU  67  -5.113  -0.518 -12.804
  544   HD12  LEU  67          HD12      LEU  67  -4.064  -0.409 -14.230
  545   HD13  LEU  67          HD13      LEU  67  -3.349  -0.182 -12.642
  546   HD21  LEU  67          HD21      LEU  67  -3.936   1.820 -11.277
  547   HD22  LEU  67          HD22      LEU  67  -4.983   3.096 -11.951
  548   HD23  LEU  67          HD23      LEU  67  -5.684   1.524 -11.475
  549    H    HIS  68           H        HIS  68  -5.541   2.913 -15.901
  550    HA   HIS  68           HA       HIS  68  -4.441   5.250 -17.440
  551    HB2  HIS  68           HB2      HIS  68  -6.644   3.307 -18.042
  552    HB3  HIS  68           HB3      HIS  68  -6.876   4.984 -18.500
  553    HD2  HIS  68           HD2      HIS  68  -6.035   5.661 -20.778
  554    HE1  HIS  68           HE1      HIS  68  -3.582   2.314 -21.716
  555    H    LEU  69           H        LEU  69  -5.234   7.339 -16.678
  556    HA   LEU  69           HA       LEU  69  -7.509   7.270 -14.714
  557    HB2  LEU  69           HB2      LEU  69  -5.346   8.303 -13.959
  558    HB3  LEU  69           HB3      LEU  69  -5.344   9.302 -15.418
  559    HG   LEU  69           HG       LEU  69  -5.810  10.376 -13.238
  560   HD11  LEU  69          HD11      LEU  69  -7.822  10.960 -15.426
  561   HD12  LEU  69          HD12      LEU  69  -7.289  12.027 -14.139
  562   HD13  LEU  69          HD13      LEU  69  -6.136  11.520 -15.364
  563   HD21  LEU  69          HD21      LEU  69  -8.639   9.336 -13.573
  564   HD22  LEU  69          HD22      LEU  69  -7.452   8.675 -12.414
  565   HD23  LEU  69          HD23      LEU  69  -7.960  10.372 -12.295
  566    H    VAL  70           H        VAL  70  -9.383   8.264 -15.426
  567    HA   VAL  70           HA       VAL  70  -9.143  10.172 -17.702
  568    HB   VAL  70           HB       VAL  70 -10.957   9.344 -18.872
  569   HG11  VAL  70          HG11      VAL  70  -9.832   6.675 -17.957
  570   HG12  VAL  70          HG12      VAL  70 -10.479   7.135 -19.552
  571   HG13  VAL  70          HG13      VAL  70  -8.914   7.774 -18.975
  572   HG21  VAL  70          HG21      VAL  70 -12.592   8.890 -17.104
  573   HG22  VAL  70          HG22      VAL  70 -12.459   7.463 -18.135
  574   HG23  VAL  70          HG23      VAL  70 -11.555   7.517 -16.591
  575    H    LEU  71           H        LEU  71 -11.129  11.555 -17.792
  576    HA   LEU  71           HA       LEU  71 -11.828  12.337 -15.000
  577    HB2  LEU  71           HB2      LEU  71 -10.459  13.772 -16.599
  578    HB3  LEU  71           HB3      LEU  71 -11.922  13.912 -17.568
  579    HG   LEU  71           HG       LEU  71 -11.149  15.811 -15.999
  580   HD11  LEU  71          HD11      LEU  71 -13.115  16.012 -17.313
  581   HD12  LEU  71          HD12      LEU  71 -14.010  14.858 -16.339
  582   HD13  LEU  71          HD13      LEU  71 -13.579  16.464 -15.668
  583   HD21  LEU  71          HD21      LEU  71 -12.036  15.860 -13.782
  584   HD22  LEU  71          HD22      LEU  71 -12.761  14.254 -13.959
  585   HD23  LEU  71          HD23      LEU  71 -10.995  14.441 -13.928
  586    H    ARG  72           H        ARG  72 -13.815  11.729 -14.542
  587    HA   ARG  72           HA       ARG  72 -15.874  11.593 -16.690
  588    HB2  ARG  72           HB2      ARG  72 -17.195  10.123 -15.193
  589    HB3  ARG  72           HB3      ARG  72 -15.584   9.457 -15.516
  590    HG2  ARG  72           HG2      ARG  72 -14.822   9.995 -13.328
  591    HG3  ARG  72           HG3      ARG  72 -16.195  11.048 -12.980
  592    HD2  ARG  72           HD2      ARG  72 -17.699   9.247 -12.776
  593    HD3  ARG  72           HD3      ARG  72 -16.567   8.085 -13.475
  594    HE   ARG  72           HE       ARG  72 -15.150   8.917 -11.301
  595   HH11  ARG  72          HH11      ARG  72 -18.419   7.548 -11.614
  596   HH12  ARG  72          HH12      ARG  72 -18.453   6.947 -10.000
  597   HH21  ARG  72          HH22      ARG  72 -15.254   8.265  -9.136
  598   HH22  ARG  72          HH21      ARG  72 -16.604   7.317  -8.579
  599    H    LEU  73           H        LEU  73 -14.832  13.867 -14.826
  600    HA   LEU  73           HA       LEU  73 -15.676  15.782 -14.006
  601    HB2  LEU  73           HB2      LEU  73 -18.373  15.134 -15.221
  602    HB3  LEU  73           HB3      LEU  73 -17.688  16.682 -14.802
  603    HG   LEU  73           HG       LEU  73 -15.879  16.144 -16.629
  604   HD11  LEU  73          HD11      LEU  73 -17.125  14.778 -18.535
  605   HD12  LEU  73          HD12      LEU  73 -16.124  13.948 -17.381
  606   HD13  LEU  73          HD13      LEU  73 -17.884  13.950 -17.187
  607   HD21  LEU  73          HD21      LEU  73 -18.766  16.855 -17.174
  608   HD22  LEU  73          HD22      LEU  73 -17.391  17.935 -16.837
  609   HD23  LEU  73          HD23      LEU  73 -17.455  17.053 -18.355
  610    H    ARG  74           H        ARG  74 -18.158  13.138 -13.371
  611    HA   ARG  74           HA       ARG  74 -18.004  13.609 -10.539
  612    HB2  ARG  74           HB2      ARG  74 -20.204  14.319 -10.135
  613    HB3  ARG  74           HB3      ARG  74 -19.506  15.459 -11.269
  614    HG2  ARG  74           HG2      ARG  74 -21.332  13.211 -12.230
  615    HG3  ARG  74           HG3      ARG  74 -21.992  14.664 -11.524
  616    HD2  ARG  74           HD2      ARG  74 -20.205  14.644 -13.982
  617    HD3  ARG  74           HD3      ARG  74 -21.971  14.700 -13.987
  618    HE   ARG  74           HE       ARG  74 -20.999  16.787 -12.316
  619   HH11  ARG  74          HH22      ARG  74 -21.427  15.983 -15.777
  620   HH12  ARG  74          HH21      ARG  74 -21.312  17.632 -16.298
  621   HH21  ARG  74          HH11      ARG  74 -21.068  18.976 -13.002
  622   HH22  ARG  74          HH12      ARG  74 -21.322  19.352 -14.664
  623    H    GLY  75           H        GLY  75 -19.615  12.093  -9.433
  624    HA2  GLY  75           HA2      GLY  75 -20.479   9.799 -11.147
  625    HA3  GLY  75           HA3      GLY  75 -19.642   9.595  -9.597
  626    H    GLY  76           H        GLY  76 -21.554  12.318  -9.154
  627    HA2  GLY  76           HA2      GLY  76 -24.203  11.391  -9.089
  628    HA3  GLY  76           HA3      GLY  76 -23.484  11.203  -7.474
  629    H1   GLY  -3           H1       GLY  -3 -10.650  11.786 -33.204
  630    H2   GLY  -3           H2       GLY  -3  -9.113  12.152 -32.763
  631    H3   GLY  -3           H3       GLY  -3  -9.943  13.163 -33.745
  632    HA2  GLY  -3           HA2      GLY  -3 -11.541  13.656 -31.991
  633    HA3  GLY  -3           HA3      GLY  -3 -10.620  12.580 -30.924
  634    H    HIS  -2           H        HIS  -2 -10.664  14.712 -29.620
  635    HA   HIS  -2           HA       HIS  -2  -8.298  16.414 -30.234
  636    HB2  HIS  -2           HB2      HIS  -2 -11.088  17.453 -29.560
  637    HB3  HIS  -2           HB3      HIS  -2  -9.642  18.425 -29.836
  638    HD2  HIS  -2           HD2      HIS  -2 -12.626  17.128 -31.619
  639    HE1  HIS  -2           HE1      HIS  -2  -9.921  18.188 -34.741
  640    H    MET  -1           H        MET  -1  -7.886  17.898 -28.306
  641    HA   MET  -1           HA       MET  -1  -8.025  16.480 -25.729
  642    HB2  MET  -1           HB2      MET  -1  -7.247  19.360 -26.385
  643    HB3  MET  -1           HB3      MET  -1  -6.966  18.512 -24.863
  644    HG2  MET  -1           HG2      MET  -1  -5.462  16.904 -26.103
  645    HG3  MET  -1           HG3      MET  -1  -5.700  17.859 -27.556
  646    HE1  MET  -1           HE1      MET  -1  -3.779  17.502 -24.171
  647    HE2  MET  -1           HE2      MET  -1  -3.256  19.165 -23.835
  648    HE3  MET  -1           HE3      MET  -1  -4.973  18.746 -23.721
  649    H    PHE 679           H        PHE 679  -9.211  17.487 -23.854
  650    HA   PHE 679           HA       PHE 679 -11.327  19.431 -24.621
  651    HB2  PHE 679           HB2      PHE 679 -11.822  16.862 -23.113
  652    HB3  PHE 679           HB3      PHE 679 -12.855  18.297 -22.980
  653    HD1  PHE 679           HD2      PHE 679 -11.497  15.778 -25.400
  654    HD2  PHE 679           HD1      PHE 679 -14.503  18.779 -24.636
  655    HE1  PHE 679           HE2      PHE 679 -12.743  15.037 -27.400
  656    HE2  PHE 679           HE1      PHE 679 -15.743  18.040 -26.653
  657    HZ   PHE 679           HZ       PHE 679 -14.868  16.169 -28.042
  658    HA   PRO 680           HA       PRO 680  -9.520  20.938 -20.675
  659    HB2  PRO 680           HB2      PRO 680  -9.187  19.464 -18.391
  660    HB3  PRO 680           HB3      PRO 680 -10.745  20.220 -18.844
  661    HG2  PRO 680           HG2      PRO 680  -9.875  17.353 -19.215
  662    HG3  PRO 680           HG3      PRO 680 -11.451  17.967 -18.632
  663    HD2  PRO 680           HD2      PRO 680 -10.988  17.167 -21.219
  664    HD3  PRO 680           HD3      PRO 680 -12.185  18.432 -20.797
  665    H    SER 681           H        SER 681  -7.211  20.930 -19.807
  666    HA   SER 681           HA       SER 681  -5.407  19.848 -21.601
  667    HB2  SER 681           HB2      SER 681  -4.768  20.596 -18.731
  668    HB3  SER 681           HB3      SER 681  -3.708  20.714 -20.150
  669    HG   SER 681           HG       SER 681  -4.623  22.753 -19.614
  670    H    ASP 682           H        ASP 682  -6.819  18.241 -18.894
  671    HA   ASP 682           HA       ASP 682  -4.962  16.180 -18.308
  672    HB2  ASP 682           HB2      ASP 682  -7.091  16.947 -17.078
  673    HB3  ASP 682           HB3      ASP 682  -7.954  16.006 -18.314
  674    H    ILE 683           H        ILE 683  -6.574  16.555 -21.304
  675    HA   ILE 683           HA       ILE 683  -6.481  13.604 -21.694
  676    HB   ILE 683           HB       ILE 683  -8.543  15.295 -23.029
  677   HG12  ILE 683          HG12      ILE 683  -8.964  15.894 -20.670
  678   HG13  ILE 683          HG13      ILE 683 -10.242  14.919 -21.364
  679   HG21  ILE 683          HG21      ILE 683  -7.936  12.833 -23.477
  680   HG22  ILE 683          HG22      ILE 683  -8.872  12.554 -21.989
  681   HG23  ILE 683          HG23      ILE 683  -9.615  13.360 -23.399
  682   HD11  ILE 683          HD11      ILE 683  -9.692  13.018 -20.003
  683   HD12  ILE 683          HD12      ILE 683  -8.188  13.718 -19.455
  684   HD13  ILE 683          HD13      ILE 683  -9.720  14.427 -18.968
  685    H    ASP 684           H        ASP 684  -5.559  12.930 -23.596
  686    HA   ASP 684           HA       ASP 684  -4.894  14.848 -25.743
  687    HB2  ASP 684           HB2      ASP 684  -2.884  14.508 -24.406
  688    HB3  ASP 684           HB3      ASP 684  -3.065  12.758 -24.449
  689    HA   PRO 685           HA       PRO 685  -7.102  11.869 -28.213
  690    HB2  PRO 685           HB2      PRO 685  -4.826  12.373 -30.148
  691    HB3  PRO 685           HB3      PRO 685  -6.580  12.208 -30.490
  692    HG2  PRO 685           HG2      PRO 685  -5.478  14.671 -30.283
  693    HG3  PRO 685           HG3      PRO 685  -7.040  14.322 -29.459
  694    HD2  PRO 685           HD2      PRO 685  -4.280  14.462 -28.269
  695    HD3  PRO 685           HD3      PRO 685  -5.840  15.051 -27.614
  696    H    GLN 686           H        GLN 686  -3.527  11.309 -27.861
  697    HA   GLN 686           HA       GLN 686  -3.583   8.744 -29.132
  698    HB2  GLN 686           HB2      GLN 686  -1.657   9.909 -27.077
  699    HB3  GLN 686           HB3      GLN 686  -1.359   8.446 -28.010
  700    HG2  GLN 686           HG2      GLN 686  -1.205   9.633 -30.073
  701    HG3  GLN 686           HG3      GLN 686  -1.931  11.090 -29.406
  702   HE21  GLN 686          HE22      GLN 686  -0.753  12.221 -27.626
  703   HE22  GLN 686          HE21      GLN 686   1.008  12.276 -27.723
  704    H    VAL 687           H        VAL 687  -3.585   9.624 -25.616
  705    HA   VAL 687           HA       VAL 687  -3.843   6.880 -24.767
  706    HB   VAL 687           HB       VAL 687  -4.745   9.321 -23.209
  707   HG11  VAL 687          HG11      VAL 687  -5.293   7.152 -22.236
  708   HG12  VAL 687          HG12      VAL 687  -3.675   6.563 -22.484
  709   HG13  VAL 687          HG13      VAL 687  -3.974   7.849 -21.284
  710   HG21  VAL 687          HG21      VAL 687  -2.367   9.298 -22.272
  711   HG22  VAL 687          HG22      VAL 687  -1.916   8.367 -23.735
  712   HG23  VAL 687          HG23      VAL 687  -2.577  10.012 -23.867
  713    H    PHE 688           H        PHE 688  -6.121   9.514 -25.400
  714    HA   PHE 688           HA       PHE 688  -8.482   8.277 -24.507
  715    HB2  PHE 688           HB2      PHE 688  -7.968  10.549 -24.699
  716    HB3  PHE 688           HB3      PHE 688  -7.815  10.459 -26.462
  717    HD1  PHE 688           HD1      PHE 688 -10.505   9.688 -23.888
  718    HD2  PHE 688           HD2      PHE 688  -9.555  11.127 -27.849
  719    HE1  PHE 688           HE1      PHE 688 -12.907  10.196 -24.295
  720    HE2  PHE 688           HE2      PHE 688 -11.943  11.615 -28.234
  721    HZ   PHE 688           HZ       PHE 688 -13.620  11.142 -26.480
  722    H    TYR 689           H        TYR 689  -6.558   7.720 -27.437
  723    HA   TYR 689           HA       TYR 689  -8.671   6.157 -28.737
  724    HB2  TYR 689           HB2      TYR 689  -6.788   7.603 -29.848
  725    HB3  TYR 689           HB3      TYR 689  -5.742   6.236 -29.516
  726    HD1  TYR 689           HD2      TYR 689  -8.631   7.494 -31.424
  727    HD2  TYR 689           HD1      TYR 689  -6.045   4.103 -30.758
  728    HE1  TYR 689           HE2      TYR 689  -9.497   6.426 -33.496
  729    HE2  TYR 689           HE1      TYR 689  -6.904   3.028 -32.820
  730    HH   TYR 689           HH       TYR 689  -8.363   3.210 -34.654
  731    H    GLU 690           H        GLU 690  -5.860   5.688 -26.659
  732    HA   GLU 690           HA       GLU 690  -5.599   2.812 -26.670
  733    HB2  GLU 690           HB2      GLU 690  -4.190   4.958 -25.767
  734    HB3  GLU 690           HB3      GLU 690  -4.982   4.459 -24.265
  735    HG2  GLU 690           HG2      GLU 690  -3.977   2.217 -24.498
  736    HG3  GLU 690           HG3      GLU 690  -3.244   2.696 -26.034
  737    H    LEU 691           H        LEU 691  -8.330   4.397 -26.063
  738    HA   LEU 691           HA       LEU 691  -9.005   3.238 -23.454
  739    HB2  LEU 691           HB2      LEU 691  -8.843   5.838 -24.387
  740    HB3  LEU 691           HB3      LEU 691 -10.508   5.490 -24.802
  741    HG   LEU 691           HG       LEU 691 -10.972   5.094 -22.459
  742   HD11  LEU 691          HD11      LEU 691  -9.130   5.704 -20.747
  743   HD12  LEU 691          HD12      LEU 691  -8.833   4.195 -21.600
  744   HD13  LEU 691          HD13      LEU 691  -7.995   5.664 -22.109
  745   HD21  LEU 691          HD21      LEU 691 -11.070   7.374 -23.446
  746   HD22  LEU 691          HD22      LEU 691 -10.892   7.313 -21.701
  747   HD23  LEU 691          HD23      LEU 691  -9.477   7.680 -22.730
  748    HA   PRO 692           HA       PRO 692 -12.473   0.997 -25.320
  749    HB2  PRO 692           HB2      PRO 692 -14.366   1.127 -23.307
  750    HB3  PRO 692           HB3      PRO 692 -12.915   0.088 -23.221
  751    HG2  PRO 692           HG2      PRO 692 -13.191   2.931 -22.143
  752    HG3  PRO 692           HG3      PRO 692 -12.709   1.449 -21.219
  753    HD2  PRO 692           HD2      PRO 692 -10.845   3.052 -22.178
  754    HD3  PRO 692           HD3      PRO 692 -10.666   1.313 -22.480
  755    H    GLU 693           H        GLU 693 -14.469   1.475 -26.400
  756    HA   GLU 693           HA       GLU 693 -14.782   4.247 -27.077
  757    HB2  GLU 693           HB2      GLU 693 -15.102   2.274 -28.590
  758    HB3  GLU 693           HB3      GLU 693 -16.587   1.872 -27.726
  759    HG2  GLU 693           HG2      GLU 693 -17.513   4.112 -28.355
  760    HG3  GLU 693           HG3      GLU 693 -16.018   4.476 -29.220
  761    H    ALA 694           H        ALA 694 -16.714   2.018 -25.024
  762    HA   ALA 694           HA       ALA 694 -18.938   3.761 -24.752
  763    HB1  ALA 694           HB1      ALA 694 -19.014   1.365 -24.286
  764    HB2  ALA 694           HB2      ALA 694 -17.924   1.574 -22.888
  765    HB3  ALA 694           HB3      ALA 694 -19.557   2.284 -22.870
  766    H    VAL 695           H        VAL 695 -15.991   3.409 -22.698
  767    HA   VAL 695           HA       VAL 695 -17.014   5.373 -20.819
  768    HB   VAL 695           HB       VAL 695 -14.075   4.686 -21.016
  769   HG11  VAL 695          HG11      VAL 695 -16.018   5.532 -18.816
  770   HG12  VAL 695          HG12      VAL 695 -14.385   4.962 -18.474
  771   HG13  VAL 695          HG13      VAL 695 -14.614   6.439 -19.441
  772   HG21  VAL 695          HG21      VAL 695 -15.294   2.473 -20.961
  773   HG22  VAL 695          HG22      VAL 695 -14.437   2.804 -19.463
  774   HG23  VAL 695          HG23      VAL 695 -16.205   3.047 -19.554
  775    H    GLN 696           H        GLN 696 -14.935   5.556 -23.768
  776    HA   GLN 696           HA       GLN 696 -14.376   8.336 -23.574
  777    HB2  GLN 696           HB2      GLN 696 -14.968   6.626 -26.029
  778    HB3  GLN 696           HB3      GLN 696 -14.486   8.309 -26.117
  779    HG2  GLN 696           HG2      GLN 696 -12.322   7.839 -25.203
  780    HG3  GLN 696           HG3      GLN 696 -12.749   6.207 -24.791
  781   HE21  GLN 696          HE22      GLN 696 -12.228   4.647 -26.390
  782   HE22  GLN 696          HE21      GLN 696 -11.950   4.997 -28.076
  783    H    LYS 697           H        LYS 697 -17.272   6.623 -24.813
  784    HA   LYS 697           HA       LYS 697 -18.789   8.795 -25.677
  785    HB2  LYS 697           HB2      LYS 697 -19.247   6.072 -25.340
  786    HB3  LYS 697           HB3      LYS 697 -20.272   6.735 -24.086
  787    HG2  LYS 697           HG2      LYS 697 -21.823   6.886 -25.667
  788    HG3  LYS 697           HG3      LYS 697 -20.992   8.348 -26.203
  789    HD2  LYS 697           HD2      LYS 697 -20.570   5.499 -27.241
  790    HD3  LYS 697           HD3      LYS 697 -21.497   6.773 -28.048
  791    HE2  LYS 697           HE2      LYS 697 -19.355   8.161 -28.139
  792    HE3  LYS 697           HE3      LYS 697 -18.474   6.741 -27.539
  793    HZ1  LYS 697           HZ1      LYS 697 -19.293   5.540 -29.543
  794    HZ2  LYS 697           HZ2      LYS 697 -20.028   6.893 -30.086
  795    HZ3  LYS 697           HZ3      LYS 697 -18.405   6.853 -29.966
  796    H    GLU 698           H        GLU 698 -18.563   7.513 -22.345
  797    HA   GLU 698           HA       GLU 698 -20.386   9.327 -21.124
  798    HB2  GLU 698           HB2      GLU 698 -18.613   7.372 -20.050
  799    HB3  GLU 698           HB3      GLU 698 -17.966   8.879 -19.416
  800    HG2  GLU 698           HG2      GLU 698 -19.476   8.458 -17.789
  801    HG3  GLU 698           HG3      GLU 698 -20.476   9.449 -18.828
  802    H    LEU 699           H        LEU 699 -16.934   9.448 -21.574
  803    HA   LEU 699           HA       LEU 699 -16.316  11.835 -20.205
  804    HB2  LEU 699           HB2      LEU 699 -15.040  10.032 -22.257
  805    HB3  LEU 699           HB3      LEU 699 -14.294  11.559 -21.986
  806    HG   LEU 699           HG       LEU 699 -13.605  11.007 -19.834
  807   HD11  LEU 699          HD11      LEU 699 -15.682  10.350 -18.758
  808   HD12  LEU 699          HD12      LEU 699 -15.656   8.789 -19.616
  809   HD13  LEU 699          HD13      LEU 699 -14.421   9.188 -18.414
  810   HD21  LEU 699          HD21      LEU 699 -12.473   9.653 -21.537
  811   HD22  LEU 699          HD22      LEU 699 -12.629   8.720 -20.038
  812   HD23  LEU 699          HD23      LEU 699 -13.701   8.377 -21.375
  813    H    LEU 700           H        LEU 700 -16.415  11.373 -23.779
  814    HA   LEU 700           HA       LEU 700 -16.084  14.119 -24.303
  815    HB2  LEU 700           HB2      LEU 700 -16.708  13.656 -26.596
  816    HB3  LEU 700           HB3      LEU 700 -15.557  12.497 -25.951
  817    HG   LEU 700           HG       LEU 700 -17.932  11.221 -25.421
  818   HD11  LEU 700          HD11      LEU 700 -18.346  12.522 -28.136
  819   HD12  LEU 700          HD12      LEU 700 -19.391  11.302 -27.358
  820   HD13  LEU 700          HD13      LEU 700 -19.267  12.928 -26.676
  821   HD21  LEU 700          HD21      LEU 700 -16.383  10.993 -28.037
  822   HD22  LEU 700          HD22      LEU 700 -15.906  10.268 -26.493
  823   HD23  LEU 700          HD23      LEU 700 -17.396   9.736 -27.262
  824    H    ALA 701           H        ALA 701 -19.116  12.248 -23.836
  825    HA   ALA 701           HA       ALA 701 -20.773  14.362 -24.851
  826    HB1  ALA 701           HB1      ALA 701 -21.431  12.071 -22.943
  827    HB2  ALA 701           HB2      ALA 701 -22.611  13.059 -23.846
  828    HB3  ALA 701           HB3      ALA 701 -21.474  12.003 -24.719
  829    H    GLU 702           H        GLU 702 -19.829  13.416 -21.489
  830    HA   GLU 702           HA       GLU 702 -21.141  15.686 -20.267
  831    HB2  GLU 702           HB2      GLU 702 -18.848  13.861 -19.454
  832    HB3  GLU 702           HB3      GLU 702 -19.443  15.182 -18.438
  833    HG2  GLU 702           HG2      GLU 702 -21.135  12.859 -19.317
  834    HG3  GLU 702           HG3      GLU 702 -20.219  12.975 -17.802
  835    H    TRP 703           H        TRP 703 -17.806  15.161 -21.538
  836    HA   TRP 703           HA       TRP 703 -16.742  17.458 -20.364
  837    HB2  TRP 703           HB2      TRP 703 -16.030  16.109 -22.999
  838    HB3  TRP 703           HB3      TRP 703 -15.064  17.374 -22.284
  839    HD1  TRP 703           HD1      TRP 703 -15.394  15.606 -19.229
  840    HE1  TRP 703           HE1      TRP 703 -13.860  13.620 -18.951
  841    HE3  TRP 703           HE3      TRP 703 -13.984  14.899 -24.087
  842    HZ2  TRP 703           HZ2      TRP 703 -11.758  12.287 -20.477
  843    HZ3  TRP 703           HZ3      TRP 703 -12.267  13.211 -24.655
  844    HH2  TRP 703           HH2      TRP 703 -11.191  11.878 -22.844
  845    H    LYS 704           H        LYS 704 -18.363  17.073 -23.576
  846    HA   LYS 704           HA       LYS 704 -18.094  19.933 -24.103
  847    HB2  LYS 704           HB2      LYS 704 -19.017  19.511 -26.211
  848    HB3  LYS 704           HB3      LYS 704 -17.970  18.142 -25.832
  849    HG2  LYS 704           HG2      LYS 704 -20.115  16.915 -25.097
  850    HG3  LYS 704           HG3      LYS 704 -21.008  18.235 -25.861
  851    HD2  LYS 704           HD2      LYS 704 -19.859  17.751 -28.027
  852    HD3  LYS 704           HD3      LYS 704 -18.891  16.507 -27.225
  853    HE2  LYS 704           HE2      LYS 704 -20.568  15.298 -28.322
  854    HE3  LYS 704           HE3      LYS 704 -21.020  15.301 -26.614
  855    HZ1  LYS 704           HZ1      LYS 704 -22.655  17.060 -27.134
  856    HZ2  LYS 704           HZ2      LYS 704 -22.192  17.085 -28.705
  857    HZ3  LYS 704           HZ3      LYS 704 -22.914  15.759 -28.080
  858    H    ARG 705           H        ARG 705 -20.558  17.961 -22.528
  859    HA   ARG 705           HA       ARG 705 -22.739  19.880 -22.870
  860    HB2  ARG 705           HB2      ARG 705 -22.156  17.435 -21.155
  861    HB3  ARG 705           HB3      ARG 705 -23.426  18.520 -20.631
  862    HG2  ARG 705           HG2      ARG 705 -24.749  18.182 -22.534
  863    HG3  ARG 705           HG3      ARG 705 -23.432  17.494 -23.484
  864    HD2  ARG 705           HD2      ARG 705 -25.234  15.860 -22.602
  865    HD3  ARG 705           HD3      ARG 705 -23.545  15.415 -22.447
  866    HE   ARG 705           HE       ARG 705 -23.682  15.421 -20.176
  867   HH11  ARG 705          HH21      ARG 705 -26.634  17.091 -21.308
  868   HH12  ARG 705          HH22      ARG 705 -27.346  17.093 -19.732
  869   HH21  ARG 705          HH11      ARG 705 -24.515  15.446 -18.258
  870   HH22  ARG 705          HH12      ARG 705 -26.106  16.101 -17.889
  871    H    THR 706           H        THR 706 -20.311  19.127 -20.430
  872    HA   THR 706           HA       THR 706 -21.326  21.070 -18.535
  873    HB   THR 706           HB       THR 706 -18.921  19.184 -18.546
  874    HG1  THR 706           HG1      THR 706 -20.797  17.987 -18.730
  875   HG21  THR 706          HG21      THR 706 -20.357  20.570 -16.281
  876   HG22  THR 706          HG22      THR 706 -19.240  19.181 -16.090
  877   HG23  THR 706          HG23      THR 706 -18.640  20.720 -16.745
  878    H    GLY 707           H        GLY 707 -18.783  20.827 -20.958
  879    HA2  GLY 707           HA2      GLY 707 -16.935  22.747 -20.370
  880    HA3  GLY 707           HA3      GLY 707 -17.552  22.356 -21.984
  Start of MODEL   18
    1    H1   MET   1           H1       MET   1   4.752  -2.528  -2.617
    2    H2   MET   1           H2       MET   1   5.090  -0.928  -2.615
    3    H3   MET   1           H3       MET   1   3.561  -1.413  -2.866
    4    HA   MET   1           HA       MET   1   5.881  -1.838  -4.646
    5    HB2  MET   1           HB2      MET   1   4.516  -2.918  -6.273
    6    HB3  MET   1           HB3      MET   1   4.311  -3.792  -4.760
    7    HG2  MET   1           HG2      MET   1   2.079  -2.610  -4.486
    8    HG3  MET   1           HG3      MET   1   2.324  -1.872  -6.074
    9    HE1  MET   1           HE1      MET   1   0.525  -2.978  -7.791
   10    HE2  MET   1           HE2      MET   1  -0.320  -4.434  -7.207
   11    HE3  MET   1           HE3      MET   1  -0.209  -2.997  -6.156
   12    H    GLN   2           H        GLN   2   5.039  -0.962  -7.059
   13    HA   GLN   2           HA       GLN   2   3.601   1.570  -6.684
   14    HB2  GLN   2           HB2      GLN   2   5.288   2.823  -7.752
   15    HB3  GLN   2           HB3      GLN   2   6.134   1.805  -6.570
   16    HG2  GLN   2           HG2      GLN   2   6.741   0.225  -8.424
   17    HG3  GLN   2           HG3      GLN   2   6.038   1.359  -9.581
   18   HE21  GLN   2          HE22      GLN   2   8.728   0.683  -9.911
   19   HE22  GLN   2          HE21      GLN   2   9.724   2.046  -9.468
   20    H    ILE   3           H        ILE   3   2.646   2.350  -8.649
   21    HA   ILE   3           HA       ILE   3   2.714   0.517 -11.041
   22    HB   ILE   3           HB       ILE   3   0.210   0.704 -11.203
   23   HG12  ILE   3          HG12      ILE   3  -0.016   0.835  -8.232
   24   HG13  ILE   3          HG13      ILE   3   0.349   2.373  -8.990
   25   HG21  ILE   3          HG21      ILE   3   1.253  -0.987  -8.850
   26   HG22  ILE   3          HG22      ILE   3  -0.191  -1.297  -9.828
   27   HG23  ILE   3          HG23      ILE   3   1.413  -1.409 -10.561
   28   HD11  ILE   3          HD11      ILE   3  -1.967   0.628  -9.852
   29   HD12  ILE   3          HD12      ILE   3  -2.073   1.966  -8.689
   30   HD13  ILE   3          HD13      ILE   3  -1.581   2.301 -10.366
   31    H    PHE   4           H        PHE   4   1.870   1.518 -12.923
   32    HA   PHE   4           HA       PHE   4   2.628   4.396 -12.917
   33    HB2  PHE   4           HB2      PHE   4   2.750   2.555 -15.303
   34    HB3  PHE   4           HB3      PHE   4   3.623   4.044 -14.951
   35    HD1  PHE   4           HD2      PHE   4   4.952   3.791 -12.559
   36    HD2  PHE   4           HD1      PHE   4   4.177   0.661 -15.390
   37    HE1  PHE   4           HE2      PHE   4   6.866   2.500 -11.651
   38    HE2  PHE   4           HE1      PHE   4   6.196  -0.548 -14.573
   39    HZ   PHE   4           HZ       PHE   4   7.580   0.402 -12.762
   40    H    VAL   5           H        VAL   5   0.657   5.475 -12.837
   41    HA   VAL   5           HA       VAL   5  -1.575   4.462 -14.528
   42    HB   VAL   5           HB       VAL   5  -1.577   6.838 -12.644
   43   HG11  VAL   5          HG11      VAL   5  -3.317   6.937 -14.389
   44   HG12  VAL   5          HG12      VAL   5  -3.859   5.293 -13.995
   45   HG13  VAL   5          HG13      VAL   5  -4.034   6.605 -12.801
   46   HG21  VAL   5          HG21      VAL   5  -1.177   4.957 -11.265
   47   HG22  VAL   5          HG22      VAL   5  -2.951   5.106 -11.243
   48   HG23  VAL   5          HG23      VAL   5  -2.164   3.879 -12.242
   49    H    LYS   6           H        LYS   6  -1.245   4.850 -16.675
   50    HA   LYS   6           HA       LYS   6   0.073   7.301 -17.591
   51    HB2  LYS   6           HB2      LYS   6  -0.160   4.964 -18.830
   52    HB3  LYS   6           HB3      LYS   6  -1.758   5.581 -19.292
   53    HG2  LYS   6           HG2      LYS   6  -0.446   7.752 -20.025
   54    HG3  LYS   6           HG3      LYS   6   0.996   6.754 -19.847
   55    HD2  LYS   6           HD2      LYS   6  -0.476   5.084 -21.391
   56    HD3  LYS   6           HD3      LYS   6  -1.282   6.606 -21.820
   57    HE2  LYS   6           HE2      LYS   6   0.405   6.250 -23.476
   58    HE3  LYS   6           HE3      LYS   6   0.982   7.564 -22.445
   59    HZ1  LYS   6           HZ1      LYS   6   2.487   5.938 -21.354
   60    HZ2  LYS   6           HZ2      LYS   6   1.892   4.720 -22.292
   61    HZ3  LYS   6           HZ3      LYS   6   2.730   5.938 -22.968
   62    H    THR   7           H        THR   7  -0.971   9.290 -17.715
   63    HA   THR   7           HA       THR   7  -3.876   9.274 -17.436
   64    HB   THR   7           HB       THR   7  -3.723  11.611 -17.614
   65    HG1  THR   7           HG1      THR   7  -1.493  12.510 -17.647
   66   HG21  THR   7          HG21      THR   7  -1.696  10.560 -15.628
   67   HG22  THR   7          HG22      THR   7  -2.576  12.111 -15.520
   68   HG23  THR   7          HG23      THR   7  -3.473  10.585 -15.427
   69    H    LEU   8           H        LEU   8  -5.200  10.426 -18.947
   70    HA   LEU   8           HA       LEU   8  -4.781   9.292 -21.531
   71    HB2  LEU   8           HB2      LEU   8  -6.705  11.457 -20.759
   72    HB3  LEU   8           HB3      LEU   8  -6.533  10.776 -22.384
   73    HG   LEU   8           HG       LEU   8  -7.742   9.532 -19.969
   74   HD11  LEU   8          HD11      LEU   8  -9.275  10.556 -21.398
   75   HD12  LEU   8          HD12      LEU   8  -8.572   9.787 -22.846
   76   HD13  LEU   8          HD13      LEU   8  -9.447   8.815 -21.631
   77   HD21  LEU   8          HD21      LEU   8  -6.140   7.790 -20.636
   78   HD22  LEU   8          HD22      LEU   8  -7.717   7.282 -21.183
   79   HD23  LEU   8          HD23      LEU   8  -6.616   7.995 -22.356
   80    H    THR   9           H        THR   9  -3.242  12.174 -20.256
   81    HA   THR   9           HA       THR   9  -3.013  13.451 -22.845
   82    HB   THR   9           HB       THR   9  -2.923  14.852 -20.967
   83    HG1  THR   9           HG1      THR   9  -1.723  15.908 -22.206
   84   HG21  THR   9          HG21      THR   9  -0.663  13.223 -19.875
   85   HG22  THR   9          HG22      THR   9  -0.952  14.908 -19.390
   86   HG23  THR   9          HG23      THR   9  -2.219  13.716 -19.133
   87    H    GLY  10           H        GLY  10  -1.563  10.733 -21.306
   88    HA2  GLY  10           HA2      GLY  10   0.128   9.373 -22.169
   89    HA3  GLY  10           HA3      GLY  10   0.698  10.705 -23.201
   90    H    LYS  11           H        LYS  11  -0.030  10.875 -19.605
   91    HA   LYS  11           HA       LYS  11   2.949  11.116 -19.187
   92    HB2  LYS  11           HB2      LYS  11   2.003  13.285 -18.861
   93    HB3  LYS  11           HB3      LYS  11   0.688  12.667 -17.872
   94    HG2  LYS  11           HG2      LYS  11   3.525  12.110 -17.004
   95    HG3  LYS  11           HG3      LYS  11   2.904  13.758 -16.828
   96    HD2  LYS  11           HD2      LYS  11   1.805  11.247 -15.511
   97    HD3  LYS  11           HD3      LYS  11   2.737  12.505 -14.739
   98    HE2  LYS  11           HE2      LYS  11  -0.047  12.887 -15.968
   99    HE3  LYS  11           HE3      LYS  11   0.277  12.520 -14.282
  100    HZ1  LYS  11           HZ1      LYS  11   1.515  14.612 -14.109
  101    HZ2  LYS  11           HZ2      LYS  11   1.071  15.032 -15.649
  102    HZ3  LYS  11           HZ3      LYS  11  -0.070  14.797 -14.463
  103    H    THR  12           H        THR  12   3.654   9.394 -18.021
  104    HA   THR  12           HA       THR  12   1.621   7.866 -16.534
  105    HB   THR  12           HB       THR  12   4.423   6.926 -16.766
  106    HG1  THR  12           HG1      THR  12   4.312   6.514 -18.915
  107   HG21  THR  12          HG21      THR  12   2.332   5.737 -15.818
  108   HG22  THR  12          HG22      THR  12   1.761   5.600 -17.509
  109   HG23  THR  12          HG23      THR  12   3.268   4.803 -17.039
  110    H    ILE  13           H        ILE  13   1.158   8.334 -14.614
  111    HA   ILE  13           HA       ILE  13   3.247   9.514 -12.900
  112    HB   ILE  13           HB       ILE  13   1.619  10.907 -12.668
  113   HG12  ILE  13          HG12      ILE  13   1.842   9.372 -10.428
  114   HG13  ILE  13          HG13      ILE  13   1.001  10.893 -10.549
  115   HG21  ILE  13          HG21      ILE  13  -0.075  10.188 -14.153
  116   HG22  ILE  13          HG22      ILE  13  -0.635   8.943 -13.016
  117   HG23  ILE  13          HG23      ILE  13  -0.786  10.690 -12.600
  118   HD11  ILE  13          HD11      ILE  13  -0.463   8.290 -10.851
  119   HD12  ILE  13          HD12      ILE  13  -0.164   9.056  -9.283
  120   HD13  ILE  13          HD13      ILE  13  -1.123   9.935 -10.470
  121    H    THR  14           H        THR  14   4.334   8.190 -11.679
  122    HA   THR  14           HA       THR  14   3.366   5.475 -11.193
  123    HB   THR  14           HB       THR  14   5.832   6.898 -10.214
  124    HG1  THR  14           HG1      THR  14   6.850   6.220 -12.056
  125   HG21  THR  14          HG21      THR  14   5.068   3.902 -10.398
  126   HG22  THR  14          HG22      THR  14   6.748   4.438 -10.273
  127   HG23  THR  14          HG23      THR  14   5.603   4.822  -8.983
  128    H    LEU  15           H        LEU  15   2.646   4.767  -9.155
  129    HA   LEU  15           HA       LEU  15   2.787   6.631  -6.873
  130    HB2  LEU  15           HB2      LEU  15   0.427   6.446  -6.395
  131    HB3  LEU  15           HB3      LEU  15   0.683   7.122  -8.016
  132    HG   LEU  15           HG       LEU  15   0.258   4.603  -8.777
  133   HD11  LEU  15          HD11      LEU  15   0.023   3.705  -6.471
  134   HD12  LEU  15          HD12      LEU  15  -1.303   4.866  -6.162
  135   HD13  LEU  15          HD13      LEU  15  -1.501   3.571  -7.342
  136   HD21  LEU  15          HD21      LEU  15  -1.080   6.530  -9.424
  137   HD22  LEU  15          HD22      LEU  15  -2.140   5.172  -8.996
  138   HD23  LEU  15          HD23      LEU  15  -1.925   6.518  -7.848
  139    H    GLU  16           H        GLU  16   2.541   5.596  -4.833
  140    HA   GLU  16           HA       GLU  16   3.312   2.759  -5.072
  141    HB2  GLU  16           HB2      GLU  16   4.089   4.993  -3.179
  142    HB3  GLU  16           HB3      GLU  16   4.200   3.308  -2.641
  143    HG2  GLU  16           HG2      GLU  16   5.578   2.720  -4.542
  144    HG3  GLU  16           HG3      GLU  16   5.480   4.361  -5.193
  145    H    VAL  17           H        VAL  17   2.143   1.282  -4.307
  146    HA   VAL  17           HA       VAL  17  -0.021   1.598  -2.311
  147    HB   VAL  17           HB       VAL  17  -1.630   0.573  -4.060
  148   HG11  VAL  17          HG11      VAL  17  -0.767   3.435  -4.404
  149   HG12  VAL  17          HG12      VAL  17  -2.315   2.723  -4.916
  150   HG13  VAL  17          HG13      VAL  17  -1.888   2.801  -3.205
  151   HG21  VAL  17          HG21      VAL  17  -1.184   1.166  -6.394
  152   HG22  VAL  17          HG22      VAL  17   0.489   1.578  -6.013
  153   HG23  VAL  17          HG23      VAL  17  -0.074  -0.087  -5.788
  154    H    GLU  18           H        GLU  18  -1.342  -0.713  -2.798
  155    HA   GLU  18           HA       GLU  18   0.684  -2.882  -2.488
  156    HB2  GLU  18           HB2      GLU  18  -1.975  -2.669  -1.006
  157    HB3  GLU  18           HB3      GLU  18  -0.718  -3.893  -0.786
  158    HG2  GLU  18           HG2      GLU  18   0.812  -2.006  -0.012
  159    HG3  GLU  18           HG3      GLU  18  -0.612  -0.951  -0.047
  160    HA   PRO  19           HA       PRO  19  -1.983  -4.788  -5.638
  161    HB2  PRO  19           HB2      PRO  19  -1.962  -7.276  -4.005
  162    HB3  PRO  19           HB3      PRO  19  -1.541  -7.033  -5.738
  163    HG2  PRO  19           HG2      PRO  19   0.331  -7.454  -3.760
  164    HG3  PRO  19           HG3      PRO  19   0.643  -6.461  -5.207
  165    HD2  PRO  19           HD2      PRO  19   0.055  -5.589  -2.398
  166    HD3  PRO  19           HD3      PRO  19   1.051  -4.793  -3.650
  167    H    SER  20           H        SER  20  -2.778  -4.945  -2.166
  168    HA   SER  20           HA       SER  20  -5.620  -5.592  -2.744
  169    HB2  SER  20           HB2      SER  20  -4.171  -5.394  -0.068
  170    HB3  SER  20           HB3      SER  20  -5.779  -6.078  -0.379
  171    HG   SER  20           HG       SER  20  -4.138  -7.707  -0.183
  172    H    ASP  21           H        ASP  21  -3.887  -2.878  -3.024
  173    HA   ASP  21           HA       ASP  21  -5.509  -1.265  -1.284
  174    HB2  ASP  21           HB2      ASP  21  -3.213  -0.537  -2.024
  175    HB3  ASP  21           HB3      ASP  21  -3.895  -0.297  -3.656
  176    H    THR  22           H        THR  22  -7.349  -0.199  -1.859
  177    HA   THR  22           HA       THR  22  -8.788  -1.275  -4.086
  178    HB   THR  22           HB       THR  22 -10.585   0.398  -3.368
  179    HG1  THR  22           HG1      THR  22 -10.253   1.161  -1.173
  180   HG21  THR  22          HG21      THR  22  -9.619  -1.733  -1.444
  181   HG22  THR  22          HG22      THR  22 -11.251  -1.015  -1.478
  182   HG23  THR  22          HG23      THR  22 -10.677  -1.938  -2.878
  183    H    ILE  23           H        ILE  23  -9.503  -0.371  -5.847
  184    HA   ILE  23           HA       ILE  23  -8.203   1.644  -7.268
  185    HB   ILE  23           HB       ILE  23 -11.139   0.926  -7.309
  186   HG12  ILE  23          HG12      ILE  23 -10.321  -1.099  -7.866
  187   HG13  ILE  23          HG13      ILE  23 -10.200  -0.330  -9.458
  188   HG21  ILE  23          HG21      ILE  23  -9.481   2.218  -9.487
  189   HG22  ILE  23          HG22      ILE  23 -11.180   1.696  -9.648
  190   HG23  ILE  23          HG23      ILE  23 -10.763   3.012  -8.551
  191   HD11  ILE  23          HD11      ILE  23  -7.920  -0.862  -7.542
  192   HD12  ILE  23          HD12      ILE  23  -8.251  -1.644  -9.070
  193   HD13  ILE  23          HD13      ILE  23  -7.783   0.073  -9.059
  194    H    GLU  24           H        GLU  24 -10.988   2.207  -4.949
  195    HA   GLU  24           HA       GLU  24 -11.228   4.949  -5.554
  196    HB2  GLU  24           HB2      GLU  24 -12.705   3.519  -4.045
  197    HB3  GLU  24           HB3      GLU  24 -11.499   3.699  -2.778
  198    HG2  GLU  24           HG2      GLU  24 -11.798   6.174  -2.870
  199    HG3  GLU  24           HG3      GLU  24 -12.960   5.993  -4.184
  200    H    ASN  25           H        ASN  25  -8.961   3.316  -3.327
  201    HA   ASN  25           HA       ASN  25  -7.898   5.852  -2.369
  202    HB2  ASN  25           HB2      ASN  25  -7.997   3.751  -0.991
  203    HB3  ASN  25           HB3      ASN  25  -6.790   3.050  -2.081
  204   HD21  ASN  25          HD22      ASN  25  -5.194   2.815  -0.541
  205   HD22  ASN  25          HD21      ASN  25  -4.448   4.147   0.355
  206    H    VAL  26           H        VAL  26  -7.048   3.532  -4.931
  207    HA   VAL  26           HA       VAL  26  -4.525   4.700  -5.631
  208    HB   VAL  26           HB       VAL  26  -6.682   3.261  -7.193
  209   HG11  VAL  26          HG11      VAL  26  -4.897   2.816  -8.890
  210   HG12  VAL  26          HG12      VAL  26  -5.355   4.544  -8.732
  211   HG13  VAL  26          HG13      VAL  26  -3.838   3.953  -8.008
  212   HG21  VAL  26          HG21      VAL  26  -5.567   1.246  -6.903
  213   HG22  VAL  26          HG22      VAL  26  -4.030   2.026  -6.431
  214   HG23  VAL  26          HG23      VAL  26  -5.404   1.988  -5.315
  215    H    LYS  27           H        LYS  27  -7.876   5.274  -6.985
  216    HA   LYS  27           HA       LYS  27  -7.206   7.537  -8.489
  217    HB2  LYS  27           HB2      LYS  27  -9.760   7.056  -6.848
  218    HB3  LYS  27           HB3      LYS  27  -9.588   8.335  -8.037
  219    HG2  LYS  27           HG2      LYS  27  -9.383   6.578  -9.832
  220    HG3  LYS  27           HG3      LYS  27  -9.755   5.355  -8.586
  221    HD2  LYS  27           HD2      LYS  27 -11.793   6.845  -7.983
  222    HD3  LYS  27           HD3      LYS  27 -11.455   7.696  -9.511
  223    HE2  LYS  27           HE2      LYS  27 -11.881   5.668 -10.774
  224    HE3  LYS  27           HE3      LYS  27 -12.135   4.763  -9.259
  225    HZ1  LYS  27           HZ1      LYS  27 -13.775   7.158  -9.977
  226    HZ2  LYS  27           HZ2      LYS  27 -14.260   5.608 -10.308
  227    HZ3  LYS  27           HZ3      LYS  27 -14.060   6.067  -8.758
  228    H    ALA  28           H        ALA  28  -7.819   7.391  -4.925
  229    HA   ALA  28           HA       ALA  28  -7.834  10.235  -4.571
  230    HB1  ALA  28           HB1      ALA  28  -7.467   9.762  -2.214
  231    HB2  ALA  28           HB2      ALA  28  -8.657   8.621  -2.865
  232    HB3  ALA  28           HB3      ALA  28  -6.976   8.103  -2.568
  233    H    LYS  29           H        LYS  29  -5.153   7.839  -4.803
  234    HA   LYS  29           HA       LYS  29  -3.101   9.815  -4.180
  235    HB2  LYS  29           HB2      LYS  29  -2.998   7.117  -5.588
  236    HB3  LYS  29           HB3      LYS  29  -1.577   8.128  -5.252
  237    HG2  LYS  29           HG2      LYS  29  -1.927   8.041  -2.887
  238    HG3  LYS  29           HG3      LYS  29  -3.531   7.330  -3.056
  239    HD2  LYS  29           HD2      LYS  29  -2.656   5.230  -3.818
  240    HD3  LYS  29           HD3      LYS  29  -0.992   5.854  -3.897
  241    HE2  LYS  29           HE2      LYS  29  -2.491   6.137  -1.287
  242    HE3  LYS  29           HE3      LYS  29  -2.010   4.498  -1.753
  243    HZ1  LYS  29           HZ1      LYS  29  -0.318   5.574  -0.384
  244    HZ2  LYS  29           HZ2      LYS  29   0.297   5.222  -1.856
  245    HZ3  LYS  29           HZ3      LYS  29  -0.111   6.777  -1.460
  246    H    ILE  30           H        ILE  30  -4.818   8.808  -7.178
  247    HA   ILE  30           HA       ILE  30  -3.213  10.502  -8.881
  248    HB   ILE  30           HB       ILE  30  -6.158   9.956  -9.277
  249   HG12  ILE  30          HG12      ILE  30  -5.280   7.782  -9.017
  250   HG13  ILE  30          HG13      ILE  30  -5.460   8.033 -10.745
  251   HG21  ILE  30          HG21      ILE  30  -3.882  10.596 -11.189
  252   HG22  ILE  30          HG22      ILE  30  -5.518  10.126 -11.698
  253   HG23  ILE  30          HG23      ILE  30  -5.289  11.619 -10.800
  254   HD11  ILE  30          HD11      ILE  30  -3.471   6.870 -10.063
  255   HD12  ILE  30          HD12      ILE  30  -3.009   8.398 -10.892
  256   HD13  ILE  30          HD13      ILE  30  -2.893   8.251  -9.124
  257    H    GLN  31           H        GLN  31  -6.055  11.252  -6.887
  258    HA   GLN  31           HA       GLN  31  -6.319  13.966  -7.610
  259    HB2  GLN  31           HB2      GLN  31  -7.893  12.650  -6.141
  260    HB3  GLN  31           HB3      GLN  31  -6.725  12.867  -4.831
  261    HG2  GLN  31           HG2      GLN  31  -7.056  15.476  -5.566
  262    HG3  GLN  31           HG3      GLN  31  -8.635  14.846  -5.996
  263   HE21  GLN  31          HE22      GLN  31 -10.007  13.938  -4.244
  264   HE22  GLN  31          HE21      GLN  31  -9.620  14.274  -2.575
  265    H    ASP  32           H        ASP  32  -4.134  12.376  -5.282
  266    HA   ASP  32           HA       ASP  32  -2.928  14.794  -4.307
  267    HB2  ASP  32           HB2      ASP  32  -2.603  12.782  -3.053
  268    HB3  ASP  32           HB3      ASP  32  -1.893  11.945  -4.413
  269    H    LYS  33           H        LYS  33  -2.236  12.694  -7.191
  270    HA   LYS  33           HA       LYS  33   0.220  14.189  -7.684
  271    HB2  LYS  33           HB2      LYS  33  -1.023  11.925  -9.216
  272    HB3  LYS  33           HB3      LYS  33   0.646  12.511  -9.286
  273    HG2  LYS  33           HG2      LYS  33  -0.105  11.738  -6.515
  274    HG3  LYS  33           HG3      LYS  33  -0.442  10.455  -7.626
  275    HD2  LYS  33           HD2      LYS  33   1.769  10.204  -6.631
  276    HD3  LYS  33           HD3      LYS  33   1.884  10.403  -8.370
  277    HE2  LYS  33           HE2      LYS  33   3.608  11.710  -7.561
  278    HE3  LYS  33           HE3      LYS  33   2.366  12.873  -7.991
  279    HZ1  LYS  33           HZ1      LYS  33   1.729  12.834  -5.500
  280    HZ2  LYS  33           HZ2      LYS  33   3.072  11.945  -5.246
  281    HZ3  LYS  33           HZ3      LYS  33   3.215  13.457  -5.829
  282    H    GLU  34           H        GLU  34  -2.978  14.063  -8.952
  283    HA   GLU  34           HA       GLU  34  -2.301  15.763 -11.280
  284    HB2  GLU  34           HB2      GLU  34  -4.506  13.708 -10.798
  285    HB3  GLU  34           HB3      GLU  34  -4.297  14.631 -12.289
  286    HG2  GLU  34           HG2      GLU  34  -2.503  12.486 -11.137
  287    HG3  GLU  34           HG3      GLU  34  -3.337  12.484 -12.686
  288    H    GLY  35           H        GLY  35  -4.643  15.326  -8.610
  289    HA2  GLY  35           HA2      GLY  35  -5.540  17.223  -7.491
  290    HA3  GLY  35           HA3      GLY  35  -5.558  18.131  -9.008
  291    H    ILE  36           H        ILE  36  -6.725  14.901  -9.484
  292    HA   ILE  36           HA       ILE  36  -9.380  16.097  -9.944
  293    HB   ILE  36           HB       ILE  36  -8.174  13.447 -10.797
  294   HG12  ILE  36          HG12      ILE  36  -8.482  16.050 -12.414
  295   HG13  ILE  36          HG13      ILE  36  -6.951  15.497 -11.729
  296   HG21  ILE  36          HG21      ILE  36 -10.729  13.606 -10.785
  297   HG22  ILE  36          HG22      ILE  36 -10.587  14.963 -11.917
  298   HG23  ILE  36          HG23      ILE  36 -10.043  13.327 -12.384
  299   HD11  ILE  36          HD11      ILE  36  -8.566  14.078 -13.845
  300   HD12  ILE  36          HD12      ILE  36  -6.979  14.857 -14.000
  301   HD13  ILE  36          HD13      ILE  36  -7.141  13.395 -13.003
  302    HA   PRO  37           HA       PRO  37 -10.713  13.752  -6.305
  303    HB2  PRO  37           HB2      PRO  37 -13.492  14.199  -6.614
  304    HB3  PRO  37           HB3      PRO  37 -12.318  15.223  -5.720
  305    HG2  PRO  37           HG2      PRO  37 -13.611  15.722  -8.329
  306    HG3  PRO  37           HG3      PRO  37 -12.784  16.853  -7.224
  307    HD2  PRO  37           HD2      PRO  37 -11.740  15.689  -9.652
  308    HD3  PRO  37           HD3      PRO  37 -10.897  16.754  -8.490
  309    HA   PRO  38           HA       PRO  38 -11.412   9.893  -8.080
  310    HB2  PRO  38           HB2      PRO  38 -12.776   8.449  -6.186
  311    HB3  PRO  38           HB3      PRO  38 -11.021   8.835  -6.125
  312    HG2  PRO  38           HG2      PRO  38 -13.295  10.221  -4.704
  313    HG3  PRO  38           HG3      PRO  38 -11.680   9.791  -4.055
  314    HD2  PRO  38           HD2      PRO  38 -12.249  12.300  -4.903
  315    HD3  PRO  38           HD3      PRO  38 -10.641  11.569  -5.208
  316    H    ASP  39           H        ASP  39 -14.461  11.280  -6.817
  317    HA   ASP  39           HA       ASP  39 -16.016   9.368  -8.357
  318    HB2  ASP  39           HB2      ASP  39 -17.032  10.504  -6.441
  319    HB3  ASP  39           HB3      ASP  39 -16.759  12.083  -7.192
  320    H    GLN  40           H        GLN  40 -14.344  12.300  -9.031
  321    HA   GLN  40           HA       GLN  40 -15.777  12.845 -11.563
  322    HB2  GLN  40           HB2      GLN  40 -15.028  14.600  -9.959
  323    HB3  GLN  40           HB3      GLN  40 -13.352  14.158 -10.248
  324    HG2  GLN  40           HG2      GLN  40 -13.320  15.020 -12.390
  325    HG3  GLN  40           HG3      GLN  40 -15.084  14.950 -12.592
  326   HE21  GLN  40          HE22      GLN  40 -16.375  16.399 -11.107
  327   HE22  GLN  40          HE21      GLN  40 -15.741  18.015 -10.795
  328    H    GLN  41           H        GLN  41 -13.469  10.573 -10.632
  329    HA   GLN  41           HA       GLN  41 -11.823  10.806 -13.106
  330    HB2  GLN  41           HB2      GLN  41 -11.037  11.373 -10.727
  331    HB3  GLN  41           HB3      GLN  41 -11.315   9.696 -10.303
  332    HG2  GLN  41           HG2      GLN  41  -9.644   9.193 -12.231
  333    HG3  GLN  41           HG3      GLN  41  -9.300  10.948 -12.113
  334   HE21  GLN  41          HE22      GLN  41  -9.136  11.521  -9.358
  335   HE22  GLN  41          HE21      GLN  41  -8.066  10.397  -8.584
  336    H    ARG  42           H        ARG  42 -11.686   8.825 -14.364
  337    HA   ARG  42           HA       ARG  42 -12.850   6.396 -13.027
  338    HB2  ARG  42           HB2      ARG  42 -13.456   7.488 -15.618
  339    HB3  ARG  42           HB3      ARG  42 -12.578   5.934 -15.842
  340    HG2  ARG  42           HG2      ARG  42 -14.180   4.666 -14.912
  341    HG3  ARG  42           HG3      ARG  42 -14.783   5.954 -13.846
  342    HD2  ARG  42           HD2      ARG  42 -15.804   7.060 -15.923
  343    HD3  ARG  42           HD3      ARG  42 -15.314   5.609 -16.828
  344    HE   ARG  42           HE       ARG  42 -16.836   4.960 -14.428
  345   HH11  ARG  42          HH11      ARG  42 -17.323   6.019 -17.804
  346   HH12  ARG  42          HH12      ARG  42 -18.948   5.403 -17.889
  347   HH21  ARG  42          HH21      ARG  42 -19.000   4.169 -14.574
  348   HH22  ARG  42          HH22      ARG  42 -19.880   4.351 -16.050
  349    H    LEU  43           H        LEU  43 -11.700   4.415 -13.385
  350    HA   LEU  43           HA       LEU  43  -8.857   4.831 -14.146
  351    HB2  LEU  43           HB2      LEU  43  -9.735   4.359 -11.531
  352    HB3  LEU  43           HB3      LEU  43  -9.442   2.720 -12.127
  353    HG   LEU  43           HG       LEU  43  -7.147   3.358 -12.761
  354   HD11  LEU  43          HD11      LEU  43  -7.900   6.078 -11.520
  355   HD12  LEU  43          HD12      LEU  43  -6.226   5.533 -11.765
  356   HD13  LEU  43          HD13      LEU  43  -7.280   5.789 -13.151
  357   HD21  LEU  43          HD21      LEU  43  -7.934   4.012  -9.855
  358   HD22  LEU  43          HD22      LEU  43  -7.590   2.386 -10.537
  359   HD23  LEU  43          HD23      LEU  43  -6.320   3.601 -10.440
  360    H    ILE  44           H        ILE  44  -8.299   3.572 -15.661
  361    HA   ILE  44           HA       ILE  44  -9.858   1.111 -16.370
  362    HB   ILE  44           HB       ILE  44  -8.555   3.163 -18.254
  363   HG12  ILE  44          HG12      ILE  44 -11.446   2.709 -17.378
  364   HG13  ILE  44          HG13      ILE  44 -10.455   4.138 -17.099
  365   HG21  ILE  44          HG21      ILE  44 -10.258   0.711 -18.924
  366   HG22  ILE  44          HG22      ILE  44  -9.711   1.926 -20.056
  367   HG23  ILE  44          HG23      ILE  44  -8.500   0.915 -19.284
  368   HD11  ILE  44          HD11      ILE  44 -11.881   4.778 -18.693
  369   HD12  ILE  44          HD12      ILE  44 -10.366   4.478 -19.582
  370   HD13  ILE  44          HD13      ILE  44 -11.719   3.281 -19.652
  371    H    PHE  45           H        PHE  45  -8.672  -0.590 -17.292
  372    HA   PHE  45           HA       PHE  45  -5.705  -0.392 -17.136
  373    HB2  PHE  45           HB2      PHE  45  -6.474  -1.236 -14.971
  374    HB3  PHE  45           HB3      PHE  45  -7.583  -2.350 -15.779
  375    HD1  PHE  45           HD1      PHE  45  -3.928  -1.585 -16.244
  376    HD2  PHE  45           HD2      PHE  45  -6.930  -4.590 -15.552
  377    HE1  PHE  45           HE1      PHE  45  -2.171  -3.334 -16.252
  378    HE2  PHE  45           HE2      PHE  45  -5.165  -6.329 -15.420
  379    HZ   PHE  45           HZ       PHE  45  -2.789  -5.710 -15.769
  380    H    ALA  46           H        ALA  46  -5.071  -1.120 -19.121
  381    HA   ALA  46           HA       ALA  46  -5.082  -2.170 -21.075
  382    HB1  ALA  46           HB1      ALA  46  -5.975  -4.425 -19.191
  383    HB2  ALA  46           HB2      ALA  46  -5.052  -4.676 -20.700
  384    HB3  ALA  46           HB3      ALA  46  -4.300  -3.828 -19.322
  385    H    GLY  47           H        GLY  47  -7.451  -0.893 -20.928
  386    HA2  GLY  47           HA2      GLY  47  -9.252  -0.705 -22.399
  387    HA3  GLY  47           HA3      GLY  47  -8.984  -2.350 -22.964
  388    H    LYS  48           H        LYS  48  -9.216  -2.095 -19.519
  389    HA   LYS  48           HA       LYS  48 -12.097  -2.828 -19.453
  390    HB2  LYS  48           HB2      LYS  48 -10.878  -4.850 -19.341
  391    HB3  LYS  48           HB3      LYS  48  -9.628  -4.186 -18.305
  392    HG2  LYS  48           HG2      LYS  48 -11.069  -4.077 -16.410
  393    HG3  LYS  48           HG3      LYS  48 -12.482  -4.576 -17.366
  394    HD2  LYS  48           HD2      LYS  48  -9.988  -6.249 -16.801
  395    HD3  LYS  48           HD3      LYS  48 -11.539  -6.394 -15.959
  396    HE2  LYS  48           HE2      LYS  48 -12.641  -6.964 -18.143
  397    HE3  LYS  48           HE3      LYS  48 -11.054  -6.931 -18.929
  398    HZ1  LYS  48           HZ1      LYS  48 -11.682  -9.178 -18.345
  399    HZ2  LYS  48           HZ2      LYS  48 -10.369  -8.763 -17.470
  400    HZ3  LYS  48           HZ3      LYS  48 -11.853  -8.798 -16.765
  401    H    GLN  49           H        GLN  49 -13.138  -1.320 -18.304
  402    HA   GLN  49           HA       GLN  49 -11.836   0.652 -16.631
  403    HB2  GLN  49           HB2      GLN  49 -14.147   0.702 -17.899
  404    HB3  GLN  49           HB3      GLN  49 -14.751  -0.200 -16.512
  405    HG2  GLN  49           HG2      GLN  49 -13.580   1.873 -15.184
  406    HG3  GLN  49           HG3      GLN  49 -13.861   2.670 -16.724
  407   HE21  GLN  49          HE22      GLN  49 -15.280   1.561 -13.759
  408   HE22  GLN  49          HE21      GLN  49 -16.959   1.900 -14.161
  409    H    LEU  50           H        LEU  50 -11.812   0.744 -14.339
  410    HA   LEU  50           HA       LEU  50 -12.326  -1.827 -12.902
  411    HB2  LEU  50           HB2      LEU  50 -10.844   0.583 -11.828
  412    HB3  LEU  50           HB3      LEU  50 -10.815  -1.103 -11.291
  413    HG   LEU  50           HG       LEU  50  -9.455   0.092 -13.722
  414   HD11  LEU  50          HD11      LEU  50  -8.383   0.372 -11.478
  415   HD12  LEU  50          HD12      LEU  50  -8.287  -1.406 -11.367
  416   HD13  LEU  50          HD13      LEU  50  -7.414  -0.541 -12.647
  417   HD21  LEU  50          HD21      LEU  50 -10.098  -2.761 -13.129
  418   HD22  LEU  50          HD22      LEU  50  -9.909  -1.952 -14.687
  419   HD23  LEU  50          HD23      LEU  50  -8.482  -2.426 -13.739
  420    H    GLU  51           H        GLU  51 -13.179  -1.319 -10.480
  421    HA   GLU  51           HA       GLU  51 -14.689   1.224 -10.474
  422    HB2  GLU  51           HB2      GLU  51 -16.678   0.276  -9.611
  423    HB3  GLU  51           HB3      GLU  51 -16.272  -0.569 -11.110
  424    HG2  GLU  51           HG2      GLU  51 -15.353  -2.441  -9.761
  425    HG3  GLU  51           HG3      GLU  51 -15.862  -1.583  -8.293
  426    H    ASP  52           H        ASP  52 -15.271   1.969  -8.325
  427    HA   ASP  52           HA       ASP  52 -12.865   2.359  -6.950
  428    HB2  ASP  52           HB2      ASP  52 -15.764   2.993  -6.357
  429    HB3  ASP  52           HB3      ASP  52 -14.519   3.360  -5.177
  430    H    GLY  53           H        GLY  53 -15.483   0.114  -6.267
  431    HA2  GLY  53           HA2      GLY  53 -14.595  -0.524  -3.590
  432    HA3  GLY  53           HA3      GLY  53 -15.894  -1.294  -4.528
  433    H    ARG  54           H        ARG  54 -12.926  -1.272  -6.281
  434    HA   ARG  54           HA       ARG  54 -12.434  -4.147  -5.581
  435    HB2  ARG  54           HB2      ARG  54 -12.374  -2.644  -8.219
  436    HB3  ARG  54           HB3      ARG  54 -11.835  -4.335  -8.011
  437    HG2  ARG  54           HG2      ARG  54 -14.653  -3.242  -7.641
  438    HG3  ARG  54           HG3      ARG  54 -14.085  -4.245  -8.978
  439    HD2  ARG  54           HD2      ARG  54 -13.637  -6.046  -7.262
  440    HD3  ARG  54           HD3      ARG  54 -14.471  -5.006  -6.095
  441    HE   ARG  54           HE       ARG  54 -16.500  -5.467  -7.049
  442   HH11  ARG  54          HH11      ARG  54 -13.951  -6.880  -9.148
  443   HH12  ARG  54          HH12      ARG  54 -15.091  -7.683 -10.169
  444   HH21  ARG  54          HH21      ARG  54 -17.977  -6.576  -8.418
  445   HH22  ARG  54          HH22      ARG  54 -17.411  -7.542  -9.725
  446    H    THR  55           H        THR  55 -10.094  -4.734  -6.599
  447    HA   THR  55           HA       THR  55  -8.234  -2.612  -5.610
  448    HB   THR  55           HB       THR  55  -7.014  -4.435  -4.539
  449    HG1  THR  55           HG1      THR  55  -8.236  -6.487  -4.242
  450   HG21  THR  55          HG21      THR  55  -9.847  -4.216  -3.479
  451   HG22  THR  55          HG22      THR  55  -8.458  -4.877  -2.586
  452   HG23  THR  55          HG23      THR  55  -8.433  -3.193  -3.096
  453    H    LEU  56           H        LEU  56  -5.998  -3.213  -6.087
  454    HA   LEU  56           HA       LEU  56  -5.757  -3.574  -8.940
  455    HB2  LEU  56           HB2      LEU  56  -3.563  -3.930  -6.840
  456    HB3  LEU  56           HB3      LEU  56  -3.315  -3.596  -8.536
  457    HG   LEU  56           HG       LEU  56  -4.540  -1.748  -6.463
  458   HD11  LEU  56          HD11      LEU  56  -2.133  -1.869  -6.331
  459   HD12  LEU  56          HD12      LEU  56  -1.971  -1.565  -8.087
  460   HD13  LEU  56          HD13      LEU  56  -2.634  -0.314  -7.000
  461   HD21  LEU  56          HD21      LEU  56  -4.515  -0.049  -8.371
  462   HD22  LEU  56          HD22      LEU  56  -4.207  -1.381  -9.490
  463   HD23  LEU  56          HD23      LEU  56  -5.726  -1.326  -8.550
  464    H    SER  57           H        SER  57  -5.156  -5.837  -6.269
  465    HA   SER  57           HA       SER  57  -4.547  -8.127  -7.789
  466    HB2  SER  57           HB2      SER  57  -5.707  -7.583  -5.057
  467    HB3  SER  57           HB3      SER  57  -5.666  -9.251  -5.674
  468    HG   SER  57           HG       SER  57  -3.761  -8.868  -4.574
  469    H    ASP  58           H        ASP  58  -7.800  -6.631  -7.161
  470    HA   ASP  58           HA       ASP  58  -9.287  -8.996  -7.828
  471    HB2  ASP  58           HB2      ASP  58 -10.190  -7.002  -6.644
  472    HB3  ASP  58           HB3      ASP  58 -10.028  -6.074  -8.139
  473    H    TYR  59           H        TYR  59  -7.571  -6.595  -9.644
  474    HA   TYR  59           HA       TYR  59  -8.551  -7.638 -12.254
  475    HB2  TYR  59           HB2      TYR  59  -7.100  -5.114 -11.514
  476    HB3  TYR  59           HB3      TYR  59  -7.602  -5.533 -13.162
  477    HD1  TYR  59           HD2      TYR  59 -10.184  -6.161 -13.422
  478    HD2  TYR  59           HD1      TYR  59  -8.554  -3.790 -10.194
  479    HE1  TYR  59           HE2      TYR  59 -12.432  -5.226 -12.971
  480    HE2  TYR  59           HE1      TYR  59 -10.784  -2.948  -9.684
  481    HH   TYR  59           HH       TYR  59 -13.704  -3.813 -11.612
  482    H    ASN  60           H        ASN  60  -6.250  -8.452 -10.180
  483    HA   ASN  60           HA       ASN  60  -4.349  -9.582 -10.202
  484    HB2  ASN  60           HB2      ASN  60  -4.885 -10.138 -13.145
  485    HB3  ASN  60           HB3      ASN  60  -3.753 -11.002 -12.115
  486   HD21  ASN  60          HD22      ASN  60  -4.763 -12.015 -10.021
  487   HD22  ASN  60          HD21      ASN  60  -6.354 -12.704 -10.214
  488    H    ILE  61           H        ILE  61  -4.377  -6.675 -10.966
  489    HA   ILE  61           HA       ILE  61  -1.953  -6.083 -12.442
  490    HB   ILE  61           HB       ILE  61  -3.639  -4.679 -10.351
  491   HG12  ILE  61          HG12      ILE  61  -3.502  -3.875 -13.252
  492   HG13  ILE  61          HG13      ILE  61  -4.616  -5.144 -12.728
  493   HG21  ILE  61          HG21      ILE  61  -2.486  -2.547 -10.969
  494   HG22  ILE  61          HG22      ILE  61  -1.373  -3.705 -10.270
  495   HG23  ILE  61          HG23      ILE  61  -1.413  -3.464 -12.038
  496   HD11  ILE  61          HD11      ILE  61  -4.570  -2.322 -11.620
  497   HD12  ILE  61          HD12      ILE  61  -5.759  -2.995 -12.760
  498   HD13  ILE  61          HD13      ILE  61  -5.640  -3.612 -11.093
  499    H    GLN  62           H        GLN  62   0.115  -5.814 -11.532
  500    HA   GLN  62           HA       GLN  62   0.521  -6.560  -8.677
  501    HB2  GLN  62           HB2      GLN  62   2.236  -7.422 -11.062
  502    HB3  GLN  62           HB3      GLN  62   2.509  -7.825  -9.365
  503    HG2  GLN  62           HG2      GLN  62   0.358  -9.092  -9.337
  504    HG3  GLN  62           HG3      GLN  62   0.120  -8.691 -11.038
  505   HE21  GLN  62          HE22      GLN  62   0.635 -10.356 -12.394
  506   HE22  GLN  62          HE21      GLN  62   1.920 -11.514 -12.127
  507    H    LYS  63           H        LYS  63   3.177  -5.994  -8.465
  508    HA   LYS  63           HA       LYS  63   3.538  -3.228  -8.585
  509    HB2  LYS  63           HB2      LYS  63   5.861  -3.688  -8.121
  510    HB3  LYS  63           HB3      LYS  63   4.921  -4.946  -7.287
  511    HG2  LYS  63           HG2      LYS  63   5.352  -6.359  -9.444
  512    HG3  LYS  63           HG3      LYS  63   6.624  -5.185  -9.799
  513    HD2  LYS  63           HD2      LYS  63   6.381  -6.844  -7.268
  514    HD3  LYS  63           HD3      LYS  63   7.404  -7.260  -8.641
  515    HE2  LYS  63           HE2      LYS  63   7.771  -4.657  -7.091
  516    HE3  LYS  63           HE3      LYS  63   8.487  -6.178  -6.565
  517    HZ1  LYS  63           HZ1      LYS  63  10.085  -5.030  -7.847
  518    HZ2  LYS  63           HZ2      LYS  63   9.631  -6.319  -8.729
  519    HZ3  LYS  63           HZ3      LYS  63   9.113  -4.807  -9.131
  520    H    GLU  64           H        GLU  64   4.783  -1.951  -9.776
  521    HA   GLU  64           HA       GLU  64   5.406  -0.908 -11.624
  522    HB2  GLU  64           HB2      GLU  64   6.994  -3.498 -11.874
  523    HB3  GLU  64           HB3      GLU  64   7.350  -1.996 -12.786
  524    HG2  GLU  64           HG2      GLU  64   7.711  -0.767 -10.736
  525    HG3  GLU  64           HG3      GLU  64   7.297  -2.174  -9.750
  526    H    SER  65           H        SER  65   3.010  -1.637 -11.903
  527    HA   SER  65           HA       SER  65   2.708  -2.763 -14.688
  528    HB2  SER  65           HB2      SER  65   0.840  -3.111 -12.315
  529    HB3  SER  65           HB3      SER  65   0.468  -3.583 -13.975
  530    HG   SER  65           HG       SER  65   2.687  -4.562 -12.483
  531    H    THR  66           H        THR  66   1.037  -1.804 -15.931
  532    HA   THR  66           HA       THR  66   0.863   1.061 -15.253
  533    HB   THR  66           HB       THR  66   0.611  -0.260 -17.985
  534    HG1  THR  66           HG1      THR  66   2.772   0.106 -18.230
  535   HG21  THR  66          HG21      THR  66   1.189   1.940 -18.926
  536   HG22  THR  66          HG22      THR  66  -0.275   2.088 -17.945
  537   HG23  THR  66          HG23      THR  66   1.285   2.642 -17.304
  538    H    LEU  67           H        LEU  67  -0.962   2.194 -15.406
  539    HA   LEU  67           HA       LEU  67  -3.594   0.862 -15.812
  540    HB2  LEU  67           HB2      LEU  67  -2.351   1.901 -13.442
  541    HB3  LEU  67           HB3      LEU  67  -3.439   3.169 -13.979
  542    HG   LEU  67           HG       LEU  67  -5.299   1.529 -13.989
  543   HD11  LEU  67          HD11      LEU  67  -3.237  -0.254 -12.565
  544   HD12  LEU  67          HD12      LEU  67  -4.977  -0.592 -12.830
  545   HD13  LEU  67          HD13      LEU  67  -3.853  -0.556 -14.187
  546   HD21  LEU  67          HD21      LEU  67  -3.781   1.806 -11.359
  547   HD22  LEU  67          HD22      LEU  67  -4.821   3.050 -12.097
  548   HD23  LEU  67          HD23      LEU  67  -5.521   1.498 -11.548
  549    H    HIS  68           H        HIS  68  -5.314   2.783 -16.019
  550    HA   HIS  68           HA       HIS  68  -4.165   5.004 -17.680
  551    HB2  HIS  68           HB2      HIS  68  -6.300   3.009 -18.289
  552    HB3  HIS  68           HB3      HIS  68  -6.637   4.679 -18.728
  553    HD2  HIS  68           HD2      HIS  68  -6.545   4.545 -21.244
  554    HE1  HIS  68           HE1      HIS  68  -2.772   2.693 -21.850
  555    H    LEU  69           H        LEU  69  -5.091   7.132 -17.151
  556    HA   LEU  69           HA       LEU  69  -7.316   7.158 -15.120
  557    HB2  LEU  69           HB2      LEU  69  -5.285   8.175 -14.305
  558    HB3  LEU  69           HB3      LEU  69  -4.947   8.924 -15.848
  559    HG   LEU  69           HG       LEU  69  -5.406  10.454 -14.067
  560   HD11  LEU  69          HD11      LEU  69  -6.597  12.078 -15.243
  561   HD12  LEU  69          HD12      LEU  69  -5.795  11.117 -16.483
  562   HD13  LEU  69          HD13      LEU  69  -7.528  10.920 -16.174
  563   HD21  LEU  69          HD21      LEU  69  -7.204   9.097 -12.968
  564   HD22  LEU  69          HD22      LEU  69  -7.488  10.847 -13.163
  565   HD23  LEU  69          HD23      LEU  69  -8.324   9.678 -14.231
  566    H    VAL  70           H        VAL  70  -9.220   8.066 -15.850
  567    HA   VAL  70           HA       VAL  70  -9.059   9.959 -18.151
  568    HB   VAL  70           HB       VAL  70 -10.879   9.083 -19.280
  569   HG11  VAL  70          HG11      VAL  70  -8.802   7.586 -19.420
  570   HG12  VAL  70          HG12      VAL  70  -9.645   6.457 -18.376
  571   HG13  VAL  70          HG13      VAL  70 -10.348   6.885 -19.970
  572   HG21  VAL  70          HG21      VAL  70 -12.347   7.183 -18.556
  573   HG22  VAL  70          HG22      VAL  70 -11.451   7.225 -17.012
  574   HG23  VAL  70          HG23      VAL  70 -12.492   8.593 -17.525
  575    H    LEU  71           H        LEU  71 -11.112  11.246 -18.235
  576    HA   LEU  71           HA       LEU  71 -11.835  12.087 -15.466
  577    HB2  LEU  71           HB2      LEU  71 -10.540  13.562 -17.162
  578    HB3  LEU  71           HB3      LEU  71 -12.031  13.541 -18.106
  579    HG   LEU  71           HG       LEU  71 -11.302  15.530 -16.495
  580   HD11  LEU  71          HD11      LEU  71 -13.684  16.215 -16.594
  581   HD12  LEU  71          HD12      LEU  71 -13.081  15.591 -18.135
  582   HD13  LEU  71          HD13      LEU  71 -14.112  14.558 -17.163
  583   HD21  LEU  71          HD21      LEU  71 -11.600  14.082 -14.373
  584   HD22  LEU  71          HD22      LEU  71 -12.448  15.634 -14.445
  585   HD23  LEU  71          HD23      LEU  71 -13.342  14.140 -14.733
  586    H    ARG  72           H        ARG  72 -13.984  11.865 -15.010
  587    HA   ARG  72           HA       ARG  72 -15.841  11.193 -17.242
  588    HB2  ARG  72           HB2      ARG  72 -16.942   9.557 -15.866
  589    HB3  ARG  72           HB3      ARG  72 -15.199   9.251 -15.805
  590    HG2  ARG  72           HG2      ARG  72 -15.049  10.273 -13.604
  591    HG3  ARG  72           HG3      ARG  72 -16.754  10.728 -13.604
  592    HD2  ARG  72           HD2      ARG  72 -15.782   7.888 -13.801
  593    HD3  ARG  72           HD3      ARG  72 -16.085   8.668 -12.263
  594    HE   ARG  72           HE       ARG  72 -18.117   7.995 -14.365
  595   HH11  ARG  72          HH22      ARG  72 -17.616   9.330 -11.094
  596   HH12  ARG  72          HH21      ARG  72 -19.111   8.770 -10.478
  597   HH21  ARG  72          HH12      ARG  72 -20.189   7.343 -13.569
  598   HH22  ARG  72          HH11      ARG  72 -20.617   7.676 -11.934
  599    H    LEU  73           H        LEU  73 -15.277  13.786 -15.835
  600    HA   LEU  73           HA       LEU  73 -16.471  15.670 -15.399
  601    HB2  LEU  73           HB2      LEU  73 -18.814  14.155 -16.638
  602    HB3  LEU  73           HB3      LEU  73 -18.660  15.881 -16.468
  603    HG   LEU  73           HG       LEU  73 -18.253  15.343 -18.719
  604   HD11  LEU  73          HD11      LEU  73 -15.703  16.128 -17.377
  605   HD12  LEU  73          HD12      LEU  73 -16.119  16.437 -19.059
  606   HD13  LEU  73          HD13      LEU  73 -17.055  17.160 -17.761
  607   HD21  LEU  73          HD21      LEU  73 -16.877  13.766 -19.664
  608   HD22  LEU  73          HD22      LEU  73 -15.875  13.566 -18.233
  609   HD23  LEU  73          HD23      LEU  73 -17.525  12.897 -18.306
  610    H    ARG  74           H        ARG  74 -18.021  12.856 -13.875
  611    HA   ARG  74           HA       ARG  74 -20.090  14.308 -12.575
  612    HB2  ARG  74           HB2      ARG  74 -18.670  11.734 -11.734
  613    HB3  ARG  74           HB3      ARG  74 -20.152  12.327 -11.000
  614    HG2  ARG  74           HG2      ARG  74 -19.802  11.332 -13.844
  615    HG3  ARG  74           HG3      ARG  74 -20.734  10.599 -12.547
  616    HD2  ARG  74           HD2      ARG  74 -21.391  13.161 -14.043
  617    HD3  ARG  74           HD3      ARG  74 -22.241  11.615 -14.117
  618    HE   ARG  74           HE       ARG  74 -22.330  12.324 -11.434
  619   HH11  ARG  74          HH22      ARG  74 -23.606  13.638 -14.485
  620   HH12  ARG  74          HH21      ARG  74 -24.911  14.479 -13.727
  621   HH21  ARG  74          HH11      ARG  74 -23.949  13.488 -10.421
  622   HH22  ARG  74          HH12      ARG  74 -25.156  14.338 -11.341
  623    H    GLY  75           H        GLY  75 -20.358  14.531 -10.178
  624    HA2  GLY  75           HA2      GLY  75 -18.115  14.862  -8.446
  625    HA3  GLY  75           HA3      GLY  75 -18.659  16.445  -9.060
  626    H    GLY  76           H        GLY  76 -20.515  13.462  -8.320
  627    HA2  GLY  76           HA2      GLY  76 -21.907  13.923  -6.065
  628    HA3  GLY  76           HA3      GLY  76 -22.697  15.043  -7.187
  629    H1   GLY  -3           H1       GLY  -3 -10.675  26.053 -17.949
  630    H2   GLY  -3           H2       GLY  -3 -11.332  27.360 -18.683
  631    H3   GLY  -3           H3       GLY  -3  -9.703  27.204 -18.603
  632    HA2  GLY  -3           HA2      GLY  -3 -10.443  26.685 -20.823
  633    HA3  GLY  -3           HA3      GLY  -3  -9.749  25.267 -20.027
  634    H    HIS  -2           H        HIS  -2 -10.910  23.523 -20.761
  635    HA   HIS  -2           HA       HIS  -2 -13.863  23.467 -20.435
  636    HB2  HIS  -2           HB2      HIS  -2 -12.356  22.640 -22.953
  637    HB3  HIS  -2           HB3      HIS  -2 -14.084  22.429 -22.660
  638    HD2  HIS  -2           HD2      HIS  -2 -15.395  25.001 -22.139
  639    HE1  HIS  -2           HE1      HIS  -2 -12.957  26.961 -25.035
  640    H    MET  -1           H        MET  -1 -14.616  21.234 -20.265
  641    HA   MET  -1           HA       MET  -1 -12.704  19.654 -18.769
  642    HB2  MET  -1           HB2      MET  -1 -15.648  19.159 -19.387
  643    HB3  MET  -1           HB3      MET  -1 -14.647  18.262 -18.226
  644    HG2  MET  -1           HG2      MET  -1 -14.187  20.419 -17.033
  645    HG3  MET  -1           HG3      MET  -1 -15.388  21.194 -18.068
  646    HE1  MET  -1           HE1      MET  -1 -17.209  21.084 -14.615
  647    HE2  MET  -1           HE2      MET  -1 -15.482  21.361 -14.918
  648    HE3  MET  -1           HE3      MET  -1 -16.701  22.094 -15.986
  649    H    PHE 679           H        PHE 679 -11.640  19.628 -21.203
  650    HA   PHE 679           HA       PHE 679 -11.167  16.927 -21.676
  651    HB2  PHE 679           HB2      PHE 679 -11.600  16.818 -24.129
  652    HB3  PHE 679           HB3      PHE 679 -12.970  16.668 -23.075
  653    HD1  PHE 679           HD2      PHE 679 -11.977  20.193 -23.630
  654    HD2  PHE 679           HD1      PHE 679 -14.230  16.870 -25.219
  655    HE1  PHE 679           HE2      PHE 679 -13.276  21.737 -25.054
  656    HE2  PHE 679           HE1      PHE 679 -15.546  18.433 -26.611
  657    HZ   PHE 679           HZ       PHE 679 -15.072  20.877 -26.534
  658    HA   PRO 680           HA       PRO 680  -8.334  20.610 -22.509
  659    HB2  PRO 680           HB2      PRO 680  -6.796  20.687 -20.279
  660    HB3  PRO 680           HB3      PRO 680  -8.509  21.175 -20.205
  661    HG2  PRO 680           HG2      PRO 680  -7.395  18.399 -19.648
  662    HG3  PRO 680           HG3      PRO 680  -8.337  19.421 -18.502
  663    HD2  PRO 680           HD2      PRO 680  -9.503  17.545 -20.046
  664    HD3  PRO 680           HD3      PRO 680 -10.273  19.141 -19.758
  665    H    SER 681           H        SER 681  -5.708  20.576 -22.199
  666    HA   SER 681           HA       SER 681  -4.458  18.651 -23.713
  667    HB2  SER 681           HB2      SER 681  -3.175  20.142 -21.404
  668    HB3  SER 681           HB3      SER 681  -2.418  19.619 -22.926
  669    HG   SER 681           HG       SER 681  -2.953  21.871 -22.939
  670    H    ASP 682           H        ASP 682  -5.547  18.210 -20.435
  671    HA   ASP 682           HA       ASP 682  -3.979  16.055 -19.491
  672    HB2  ASP 682           HB2      ASP 682  -5.872  17.338 -18.305
  673    HB3  ASP 682           HB3      ASP 682  -6.975  16.300 -19.230
  674    H    ILE 683           H        ILE 683  -5.770  16.047 -22.352
  675    HA   ILE 683           HA       ILE 683  -5.984  13.092 -22.292
  676    HB   ILE 683           HB       ILE 683  -8.007  14.871 -23.630
  677   HG12  ILE 683          HG12      ILE 683  -8.147  15.644 -21.227
  678   HG13  ILE 683          HG13      ILE 683  -9.569  14.820 -21.814
  679   HG21  ILE 683          HG21      ILE 683  -8.180  12.198 -22.332
  680   HG22  ILE 683          HG22      ILE 683  -9.391  12.998 -23.328
  681   HG23  ILE 683          HG23      ILE 683  -7.854  12.444 -24.068
  682   HD11  ILE 683          HD11      ILE 683  -8.973  14.303 -19.450
  683   HD12  ILE 683          HD12      ILE 683  -9.205  12.889 -20.471
  684   HD13  ILE 683          HD13      ILE 683  -7.573  13.390 -20.017
  685    H    ASP 684           H        ASP 684  -5.216  12.134 -24.187
  686    HA   ASP 684           HA       ASP 684  -4.465  13.781 -26.532
  687    HB2  ASP 684           HB2      ASP 684  -2.453  13.524 -25.168
  688    HB3  ASP 684           HB3      ASP 684  -2.668  11.782 -25.043
  689    HA   PRO 685           HA       PRO 685  -6.818  10.664 -28.642
  690    HB2  PRO 685           HB2      PRO 685  -4.611  10.901 -30.695
  691    HB3  PRO 685           HB3      PRO 685  -6.382  10.778 -30.953
  692    HG2  PRO 685           HG2      PRO 685  -5.181  13.202 -31.023
  693    HG3  PRO 685           HG3      PRO 685  -6.723  12.999 -30.127
  694    HD2  PRO 685           HD2      PRO 685  -3.918  13.135 -29.041
  695    HD3  PRO 685           HD3      PRO 685  -5.429  13.845 -28.395
  696    H    GLN 686           H        GLN 686  -3.268  10.011 -28.308
  697    HA   GLN 686           HA       GLN 686  -3.431   7.335 -29.356
  698    HB2  GLN 686           HB2      GLN 686  -1.414   8.622 -27.464
  699    HB3  GLN 686           HB3      GLN 686  -1.187   7.069 -28.268
  700    HG2  GLN 686           HG2      GLN 686  -1.051   8.058 -30.432
  701    HG3  GLN 686           HG3      GLN 686  -1.719   9.597 -29.890
  702   HE21  GLN 686          HE22      GLN 686  -0.456  10.830 -28.223
  703   HE22  GLN 686          HE21      GLN 686   1.301  10.837 -28.386
  704    H    VAL 687           H        VAL 687  -3.156   8.523 -25.952
  705    HA   VAL 687           HA       VAL 687  -3.611   5.942 -24.765
  706    HB   VAL 687           HB       VAL 687  -4.386   8.578 -23.494
  707   HG11  VAL 687          HG11      VAL 687  -3.244   5.960 -22.443
  708   HG12  VAL 687          HG12      VAL 687  -3.570   7.396 -21.432
  709   HG13  VAL 687          HG13      VAL 687  -4.885   6.546 -22.248
  710   HG21  VAL 687          HG21      VAL 687  -2.021   8.746 -22.652
  711   HG22  VAL 687          HG22      VAL 687  -1.554   7.626 -23.962
  712   HG23  VAL 687          HG23      VAL 687  -2.280   9.219 -24.318
  713    H    PHE 688           H        PHE 688  -5.696   8.665 -25.734
  714    HA   PHE 688           HA       PHE 688  -8.046   7.775 -24.451
  715    HB2  PHE 688           HB2      PHE 688  -7.536   9.937 -25.077
  716    HB3  PHE 688           HB3      PHE 688  -7.507   9.538 -26.803
  717    HD1  PHE 688           HD2      PHE 688 -10.144   8.624 -24.239
  718    HD2  PHE 688           HD1      PHE 688  -9.196  10.672 -27.914
  719    HE1  PHE 688           HE2      PHE 688 -12.553   9.065 -24.622
  720    HE2  PHE 688           HE1      PHE 688 -11.602  11.079 -28.302
  721    HZ   PHE 688           HZ       PHE 688 -13.291  10.267 -26.670
  722    H    TYR 689           H        TYR 689  -6.542   6.791 -27.556
  723    HA   TYR 689           HA       TYR 689  -8.798   5.141 -28.341
  724    HB2  TYR 689           HB2      TYR 689  -7.058   6.369 -29.836
  725    HB3  TYR 689           HB3      TYR 689  -5.998   5.020 -29.481
  726    HD1  TYR 689           HD1      TYR 689  -9.170   6.128 -31.025
  727    HD2  TYR 689           HD2      TYR 689  -6.428   2.831 -30.557
  728    HE1  TYR 689           HE1      TYR 689 -10.337   4.904 -32.850
  729    HE2  TYR 689           HE2      TYR 689  -7.579   1.602 -32.376
  730    HH   TYR 689           HH       TYR 689  -9.326   1.613 -33.932
  731    H    GLU 690           H        GLU 690  -5.810   4.654 -26.444
  732    HA   GLU 690           HA       GLU 690  -5.613   1.821 -26.562
  733    HB2  GLU 690           HB2      GLU 690  -4.834   3.841 -24.492
  734    HB3  GLU 690           HB3      GLU 690  -4.559   2.119 -24.248
  735    HG2  GLU 690           HG2      GLU 690  -3.334   3.810 -26.424
  736    HG3  GLU 690           HG3      GLU 690  -2.585   3.270 -24.915
  737    H    LEU 691           H        LEU 691  -8.353   3.424 -25.442
  738    HA   LEU 691           HA       LEU 691  -8.913   1.391 -23.332
  739    HB2  LEU 691           HB2      LEU 691  -9.617   3.065 -21.886
  740    HB3  LEU 691           HB3      LEU 691  -8.264   3.772 -22.683
  741    HG   LEU 691           HG       LEU 691 -10.303   4.671 -24.317
  742   HD11  LEU 691          HD11      LEU 691 -11.494   4.588 -21.528
  743   HD12  LEU 691          HD12      LEU 691 -12.099   5.549 -22.886
  744   HD13  LEU 691          HD13      LEU 691 -12.135   3.791 -22.974
  745   HD21  LEU 691          HD21      LEU 691 -10.088   6.775 -22.929
  746   HD22  LEU 691          HD22      LEU 691  -9.306   5.789 -21.652
  747   HD23  LEU 691          HD23      LEU 691  -8.514   6.003 -23.223
  748    HA   PRO 692           HA       PRO 692 -12.439   0.101 -25.373
  749    HB2  PRO 692           HB2      PRO 692 -14.602   0.118 -23.674
  750    HB3  PRO 692           HB3      PRO 692 -13.158  -0.899 -23.367
  751    HG2  PRO 692           HG2      PRO 692 -13.605   1.936 -22.328
  752    HG3  PRO 692           HG3      PRO 692 -13.373   0.435 -21.333
  753    HD2  PRO 692           HD2      PRO 692 -11.303   1.926 -21.894
  754    HD3  PRO 692           HD3      PRO 692 -11.141   0.187 -22.237
  755    H    GLU 693           H        GLU 693 -13.967   0.817 -26.878
  756    HA   GLU 693           HA       GLU 693 -14.433   3.536 -27.355
  757    HB2  GLU 693           HB2      GLU 693 -14.752   1.660 -28.976
  758    HB3  GLU 693           HB3      GLU 693 -16.207   1.164 -28.093
  759    HG2  GLU 693           HG2      GLU 693 -17.104   3.517 -28.488
  760    HG3  GLU 693           HG3      GLU 693 -15.751   3.774 -29.591
  761    H    ALA 694           H        ALA 694 -16.345   1.234 -25.434
  762    HA   ALA 694           HA       ALA 694 -18.668   2.701 -24.955
  763    HB1  ALA 694           HB1      ALA 694 -17.086   0.821 -23.158
  764    HB2  ALA 694           HB2      ALA 694 -18.801   1.261 -22.924
  765    HB3  ALA 694           HB3      ALA 694 -18.296   0.369 -24.386
  766    H    VAL 695           H        VAL 695 -15.684   2.703 -22.916
  767    HA   VAL 695           HA       VAL 695 -16.786   4.803 -21.222
  768    HB   VAL 695           HB       VAL 695 -13.890   3.938 -21.468
  769   HG11  VAL 695          HG11      VAL 695 -13.986   4.836 -18.989
  770   HG12  VAL 695          HG12      VAL 695 -13.891   6.013 -20.313
  771   HG13  VAL 695          HG13      VAL 695 -15.443   5.672 -19.513
  772   HG21  VAL 695          HG21      VAL 695 -15.947   3.047 -19.394
  773   HG22  VAL 695          HG22      VAL 695 -15.425   2.034 -20.748
  774   HG23  VAL 695          HG23      VAL 695 -14.248   2.523 -19.527
  775    H    GLN 696           H        GLN 696 -14.779   4.691 -24.229
  776    HA   GLN 696           HA       GLN 696 -14.085   7.407 -24.065
  777    HB2  GLN 696           HB2      GLN 696 -14.552   5.722 -26.574
  778    HB3  GLN 696           HB3      GLN 696 -13.912   7.355 -26.596
  779    HG2  GLN 696           HG2      GLN 696 -11.914   6.647 -25.364
  780    HG3  GLN 696           HG3      GLN 696 -12.554   5.017 -25.226
  781   HE21  GLN 696          HE22      GLN 696 -11.506   3.657 -26.667
  782   HE22  GLN 696          HE21      GLN 696 -11.202   4.038 -28.339
  783    H    LYS 697           H        LYS 697 -17.092   5.935 -25.537
  784    HA   LYS 697           HA       LYS 697 -17.851   8.631 -26.206
  785    HB2  LYS 697           HB2      LYS 697 -19.543   8.109 -27.386
  786    HB3  LYS 697           HB3      LYS 697 -18.588   6.663 -27.560
  787    HG2  LYS 697           HG2      LYS 697 -20.948   6.959 -25.644
  788    HG3  LYS 697           HG3      LYS 697 -21.135   6.496 -27.327
  789    HD2  LYS 697           HD2      LYS 697 -19.697   4.966 -25.170
  790    HD3  LYS 697           HD3      LYS 697 -21.186   4.492 -25.973
  791    HE2  LYS 697           HE2      LYS 697 -18.413   4.712 -27.275
  792    HE3  LYS 697           HE3      LYS 697 -19.160   3.215 -26.747
  793    HZ1  LYS 697           HZ1      LYS 697 -20.225   4.907 -28.949
  794    HZ2  LYS 697           HZ2      LYS 697 -19.514   3.440 -29.110
  795    HZ3  LYS 697           HZ3      LYS 697 -20.958   3.557 -28.373
  796    H    GLU 698           H        GLU 698 -18.232   6.808 -23.299
  797    HA   GLU 698           HA       GLU 698 -20.187   8.477 -22.035
  798    HB2  GLU 698           HB2      GLU 698 -18.430   6.512 -20.995
  799    HB3  GLU 698           HB3      GLU 698 -17.718   7.988 -20.363
  800    HG2  GLU 698           HG2      GLU 698 -19.161   7.690 -18.687
  801    HG3  GLU 698           HG3      GLU 698 -20.244   8.592 -19.728
  802    H    LEU 699           H        LEU 699 -16.689   8.708 -22.353
  803    HA   LEU 699           HA       LEU 699 -16.267  11.142 -20.992
  804    HB2  LEU 699           HB2      LEU 699 -14.770   9.378 -22.914
  805    HB3  LEU 699           HB3      LEU 699 -14.132  10.953 -22.655
  806    HG   LEU 699           HG       LEU 699 -13.480  10.501 -20.481
  807   HD11  LEU 699          HD11      LEU 699 -14.303   8.756 -18.993
  808   HD12  LEU 699          HD12      LEU 699 -15.577   9.869 -19.443
  809   HD13  LEU 699          HD13      LEU 699 -15.491   8.258 -20.217
  810   HD21  LEU 699          HD21      LEU 699 -12.270   9.113 -22.096
  811   HD22  LEU 699          HD22      LEU 699 -12.420   8.237 -20.565
  812   HD23  LEU 699          HD23      LEU 699 -13.466   7.810 -21.904
  813    H    LEU 700           H        LEU 700 -16.199  10.653 -24.581
  814    HA   LEU 700           HA       LEU 700 -15.894  13.419 -25.004
  815    HB2  LEU 700           HB2      LEU 700 -16.352  13.034 -27.343
  816    HB3  LEU 700           HB3      LEU 700 -15.256  11.832 -26.666
  817    HG   LEU 700           HG       LEU 700 -17.714  10.620 -26.335
  818   HD11  LEU 700          HD11      LEU 700 -17.848  12.004 -29.036
  819   HD12  LEU 700          HD12      LEU 700 -18.977  10.780 -28.402
  820   HD13  LEU 700          HD13      LEU 700 -18.887  12.376 -27.640
  821   HD21  LEU 700          HD21      LEU 700 -17.057   9.177 -28.245
  822   HD22  LEU 700          HD22      LEU 700 -15.876  10.406 -28.769
  823   HD23  LEU 700          HD23      LEU 700 -15.666   9.560 -27.224
  824    H    ALA 701           H        ALA 701 -18.919  11.532 -24.705
  825    HA   ALA 701           HA       ALA 701 -20.543  13.692 -25.717
  826    HB1  ALA 701           HB1      ALA 701 -21.265  11.315 -23.949
  827    HB2  ALA 701           HB2      ALA 701 -22.403  12.329 -24.873
  828    HB3  ALA 701           HB3      ALA 701 -21.214  11.319 -25.727
  829    H    GLU 702           H        GLU 702 -19.777  12.528 -22.360
  830    HA   GLU 702           HA       GLU 702 -21.177  14.710 -21.079
  831    HB2  GLU 702           HB2      GLU 702 -18.845  12.983 -20.155
  832    HB3  GLU 702           HB3      GLU 702 -19.767  14.071 -19.118
  833    HG2  GLU 702           HG2      GLU 702 -21.003  11.713 -20.484
  834    HG3  GLU 702           HG3      GLU 702 -20.250  11.701 -18.874
  835    H    TRP 703           H        TRP 703 -17.858  14.341 -22.363
  836    HA   TRP 703           HA       TRP 703 -16.783  16.525 -21.022
  837    HB2  TRP 703           HB2      TRP 703 -16.061  15.415 -23.759
  838    HB3  TRP 703           HB3      TRP 703 -15.173  16.690 -22.963
  839    HD1  TRP 703           HD1      TRP 703 -15.138  14.859 -20.049
  840    HE1  TRP 703           HE1      TRP 703 -13.465  12.990 -19.871
  841    HE3  TRP 703           HE3      TRP 703 -13.883  14.477 -24.989
  842    HZ2  TRP 703           HZ2      TRP 703 -11.416  11.779 -21.588
  843    HZ3  TRP 703           HZ3      TRP 703 -12.119  12.897 -25.683
  844    HH2  TRP 703           HH2      TRP 703 -10.917  11.531 -24.007
  845    H    LYS 704           H        LYS 704 -18.319  16.371 -24.299
  846    HA   LYS 704           HA       LYS 704 -18.137  19.263 -24.584
  847    HB2  LYS 704           HB2      LYS 704 -19.178  19.000 -26.694
  848    HB3  LYS 704           HB3      LYS 704 -18.010  17.695 -26.496
  849    HG2  LYS 704           HG2      LYS 704 -19.915  16.156 -25.906
  850    HG3  LYS 704           HG3      LYS 704 -21.046  17.471 -26.266
  851    HD2  LYS 704           HD2      LYS 704 -20.256  17.591 -28.571
  852    HD3  LYS 704           HD3      LYS 704 -18.981  16.391 -28.243
  853    HE2  LYS 704           HE2      LYS 704 -20.622  14.669 -27.783
  854    HE3  LYS 704           HE3      LYS 704 -21.958  15.822 -27.906
  855    HZ1  LYS 704           HZ1      LYS 704 -21.722  14.536 -29.945
  856    HZ2  LYS 704           HZ2      LYS 704 -21.444  16.109 -30.263
  857    HZ3  LYS 704           HZ3      LYS 704 -20.190  15.057 -30.177
  858    H    ARG 705           H        ARG 705 -20.672  17.044 -23.390
  859    HA   ARG 705           HA       ARG 705 -22.819  18.941 -23.465
  860    HB2  ARG 705           HB2      ARG 705 -22.215  16.426 -21.889
  861    HB3  ARG 705           HB3      ARG 705 -23.542  17.448 -21.358
  862    HG2  ARG 705           HG2      ARG 705 -24.781  17.191 -23.276
  863    HG3  ARG 705           HG3      ARG 705 -23.403  16.708 -24.267
  864    HD2  ARG 705           HD2      ARG 705 -25.093  14.870 -23.715
  865    HD3  ARG 705           HD3      ARG 705 -23.391  14.509 -23.470
  866    HE   ARG 705           HE       ARG 705 -23.691  14.243 -21.232
  867   HH11  ARG 705          HH11      ARG 705 -26.694  15.792 -22.422
  868   HH12  ARG 705          HH12      ARG 705 -27.527  15.525 -20.934
  869   HH21  ARG 705          HH21      ARG 705 -24.703  13.931 -19.418
  870   HH22  ARG 705          HH22      ARG 705 -26.362  14.434 -19.121
  871    H    THR 706           H        THR 706 -20.427  18.177 -20.873
  872    HA   THR 706           HA       THR 706 -21.477  20.270 -19.178
  873    HB   THR 706           HB       THR 706 -19.303  19.930 -17.924
  874    HG1  THR 706           HG1      THR 706 -18.972  17.730 -19.716
  875   HG21  THR 706          HG21      THR 706 -20.939  17.397 -18.446
  876   HG22  THR 706          HG22      THR 706 -19.936  17.758 -17.015
  877   HG23  THR 706          HG23      THR 706 -21.385  18.709 -17.345
  878    H    GLY 707           H        GLY 707 -18.594  19.955 -21.306
  879    HA2  GLY 707           HA2      GLY 707 -17.626  21.399 -22.704
  880    HA3  GLY 707           HA3      GLY 707 -18.917  22.573 -22.397
  Start of MODEL   19
    1    H1   MET   1           H1       MET   1   5.078  -1.164  -2.883
    2    H2   MET   1           H2       MET   1   3.532  -1.566  -3.187
    3    H3   MET   1           H3       MET   1   4.655  -2.750  -2.900
    4    HA   MET   1           HA       MET   1   5.882  -2.124  -4.887
    5    HB2  MET   1           HB2      MET   1   4.485  -3.027  -6.562
    6    HB3  MET   1           HB3      MET   1   4.267  -3.989  -5.102
    7    HG2  MET   1           HG2      MET   1   2.031  -2.733  -4.834
    8    HG3  MET   1           HG3      MET   1   2.354  -2.011  -6.420
    9    HE1  MET   1           HE1      MET   1  -0.337  -3.258  -6.624
   10    HE2  MET   1           HE2      MET   1   0.561  -3.027  -8.155
   11    HE3  MET   1           HE3      MET   1  -0.224  -4.576  -7.798
   12    H    GLN   2           H        GLN   2   5.352  -1.153  -7.304
   13    HA   GLN   2           HA       GLN   2   3.978   1.454  -6.926
   14    HB2  GLN   2           HB2      GLN   2   5.665   2.609  -7.968
   15    HB3  GLN   2           HB3      GLN   2   6.564   1.486  -6.958
   16    HG2  GLN   2           HG2      GLN   2   6.098   1.167  -9.974
   17    HG3  GLN   2           HG3      GLN   2   7.501   1.900  -9.232
   18   HE21  GLN   2          HE22      GLN   2   9.179   0.462  -9.723
   19   HE22  GLN   2          HE21      GLN   2   9.115  -1.250  -9.371
   20    H    ILE   3           H        ILE   3   2.948   2.334  -8.823
   21    HA   ILE   3           HA       ILE   3   2.832   0.576 -11.262
   22    HB   ILE   3           HB       ILE   3   0.361   0.868 -11.347
   23   HG12  ILE   3          HG12      ILE   3   0.393   1.484  -8.369
   24   HG13  ILE   3          HG13      ILE   3   0.494   2.771  -9.539
   25   HG21  ILE   3          HG21      ILE   3   1.468  -1.271 -10.640
   26   HG22  ILE   3          HG22      ILE   3   1.286  -0.798  -8.947
   27   HG23  ILE   3          HG23      ILE   3  -0.152  -1.062  -9.952
   28   HD11  ILE   3          HD11      ILE   3  -1.560   2.076 -10.620
   29   HD12  ILE   3          HD12      ILE   3  -1.781   0.788  -9.399
   30   HD13  ILE   3          HD13      ILE   3  -1.786   2.503  -8.913
   31    H    PHE   4           H        PHE   4   1.971   1.638 -13.066
   32    HA   PHE   4           HA       PHE   4   2.735   4.522 -13.024
   33    HB2  PHE   4           HB2      PHE   4   2.760   2.770 -15.469
   34    HB3  PHE   4           HB3      PHE   4   3.653   4.237 -15.086
   35    HD1  PHE   4           HD2      PHE   4   5.098   3.914 -12.790
   36    HD2  PHE   4           HD1      PHE   4   4.094   0.826 -15.593
   37    HE1  PHE   4           HE2      PHE   4   6.981   2.547 -11.950
   38    HE2  PHE   4           HE1      PHE   4   6.114  -0.440 -14.892
   39    HZ   PHE   4           HZ       PHE   4   7.568   0.404 -13.089
   40    H    VAL   5           H        VAL   5   0.759   5.604 -12.835
   41    HA   VAL   5           HA       VAL   5  -1.538   4.607 -14.464
   42    HB   VAL   5           HB       VAL   5  -1.446   6.845 -12.436
   43   HG11  VAL   5          HG11      VAL   5  -3.224   7.150 -14.092
   44   HG12  VAL   5          HG12      VAL   5  -3.803   5.494 -13.845
   45   HG13  VAL   5          HG13      VAL   5  -3.911   6.681 -12.520
   46   HG21  VAL   5          HG21      VAL   5  -2.532   4.001 -12.173
   47   HG22  VAL   5          HG22      VAL   5  -1.022   4.557 -11.479
   48   HG23  VAL   5          HG23      VAL   5  -2.568   5.263 -10.950
   49    H    LYS   6           H        LYS   6  -1.308   5.129 -16.612
   50    HA   LYS   6           HA       LYS   6  -0.044   7.624 -17.457
   51    HB2  LYS   6           HB2      LYS   6  -0.267   5.370 -18.772
   52    HB3  LYS   6           HB3      LYS   6  -1.912   5.912 -19.118
   53    HG2  LYS   6           HG2      LYS   6  -0.764   8.152 -19.916
   54    HG3  LYS   6           HG3      LYS   6   0.737   7.218 -19.834
   55    HD2  LYS   6           HD2      LYS   6  -0.656   5.459 -21.251
   56    HD3  LYS   6           HD3      LYS   6  -1.667   6.880 -21.652
   57    HE2  LYS   6           HE2      LYS   6   0.104   7.994 -22.748
   58    HE3  LYS   6           HE3      LYS   6   1.351   6.992 -21.998
   59    HZ1  LYS   6           HZ1      LYS   6  -0.608   5.831 -23.942
   60    HZ2  LYS   6           HZ2      LYS   6   0.885   6.405 -24.371
   61    HZ3  LYS   6           HZ3      LYS   6   0.742   5.139 -23.354
   62    H    THR   7           H        THR   7  -1.106   9.627 -17.445
   63    HA   THR   7           HA       THR   7  -4.001   9.564 -17.081
   64    HB   THR   7           HB       THR   7  -3.903  11.891 -17.181
   65    HG1  THR   7           HG1      THR   7  -1.649  12.817 -17.251
   66   HG21  THR   7          HG21      THR   7  -1.758  10.827 -15.324
   67   HG22  THR   7          HG22      THR   7  -2.660  12.356 -15.134
   68   HG23  THR   7          HG23      THR   7  -3.521  10.822 -15.034
   69    H    LEU   8           H        LEU   8  -5.391  10.755 -18.470
   70    HA   LEU   8           HA       LEU   8  -5.030   9.773 -21.144
   71    HB2  LEU   8           HB2      LEU   8  -7.004  11.833 -20.158
   72    HB3  LEU   8           HB3      LEU   8  -6.860  11.271 -21.831
   73    HG   LEU   8           HG       LEU   8  -7.878   9.797 -19.441
   74   HD11  LEU   8          HD11      LEU   8  -9.530  10.928 -20.712
   75   HD12  LEU   8          HD12      LEU   8  -8.901  10.260 -22.230
   76   HD13  LEU   8          HD13      LEU   8  -9.699   9.202 -21.040
   77   HD21  LEU   8          HD21      LEU   8  -6.890   8.541 -22.027
   78   HD22  LEU   8          HD22      LEU   8  -6.320   8.176 -20.360
   79   HD23  LEU   8          HD23      LEU   8  -7.915   7.699 -20.869
   80    H    THR   9           H        THR   9  -3.558  12.572 -19.681
   81    HA   THR   9           HA       THR   9  -3.472  14.017 -22.169
   82    HB   THR   9           HB       THR   9  -3.522  15.295 -20.263
   83    HG1  THR   9           HG1      THR   9  -2.241  16.754 -20.904
   84   HG21  THR   9          HG21      THR   9  -1.025  13.932 -19.309
   85   HG22  THR   9          HG22      THR   9  -1.500  15.549 -18.746
   86   HG23  THR   9          HG23      THR   9  -2.592  14.195 -18.482
   87    H    GLY  10           H        GLY  10  -1.907  11.251 -20.954
   88    HA2  GLY  10           HA2      GLY  10  -0.156  10.045 -21.873
   89    HA3  GLY  10           HA3      GLY  10   0.313  11.445 -22.861
   90    H    LYS  11           H        LYS  11  -0.269  11.397 -19.250
   91    HA   LYS  11           HA       LYS  11   2.717  11.664 -18.916
   92    HB2  LYS  11           HB2      LYS  11   1.766  13.788 -18.413
   93    HB3  LYS  11           HB3      LYS  11   0.488  13.083 -17.423
   94    HG2  LYS  11           HG2      LYS  11   3.360  12.512 -16.699
   95    HG3  LYS  11           HG3      LYS  11   2.742  14.130 -16.394
   96    HD2  LYS  11           HD2      LYS  11   1.693  11.538 -15.207
   97    HD3  LYS  11           HD3      LYS  11   2.638  12.761 -14.379
   98    HE2  LYS  11           HE2      LYS  11  -0.165  13.223 -15.526
   99    HE3  LYS  11           HE3      LYS  11   0.170  12.692 -13.889
  100    HZ1  LYS  11           HZ1      LYS  11  -0.173  14.971 -13.851
  101    HZ2  LYS  11           HZ2      LYS  11   1.407  14.759 -13.514
  102    HZ3  LYS  11           HZ3      LYS  11   0.960  15.331 -15.005
  103    H    THR  12           H        THR  12   3.470   9.823 -17.920
  104    HA   THR  12           HA       THR  12   1.496   8.223 -16.437
  105    HB   THR  12           HB       THR  12   4.318   7.350 -16.686
  106    HG1  THR  12           HG1      THR  12   4.159   6.896 -18.861
  107   HG21  THR  12          HG21      THR  12   2.291   6.064 -15.779
  108   HG22  THR  12          HG22      THR  12   1.682   5.995 -17.466
  109   HG23  THR  12          HG23      THR  12   3.214   5.209 -17.065
  110    H    ILE  13           H        ILE  13   1.100   8.509 -14.444
  111    HA   ILE  13           HA       ILE  13   3.192   9.707 -12.724
  112    HB   ILE  13           HB       ILE  13   1.525  11.040 -12.362
  113   HG12  ILE  13          HG12      ILE  13   1.889   9.415 -10.206
  114   HG13  ILE  13          HG13      ILE  13   0.973  10.907 -10.215
  115   HG21  ILE  13          HG21      ILE  13  -0.191  10.338 -13.825
  116   HG22  ILE  13          HG22      ILE  13  -0.662   9.008 -12.743
  117   HG23  ILE  13          HG23      ILE  13  -0.879  10.715 -12.228
  118   HD11  ILE  13          HD11      ILE  13  -0.318   8.214 -10.607
  119   HD12  ILE  13          HD12      ILE  13  -0.112   8.972  -9.013
  120   HD13  ILE  13          HD13      ILE  13  -1.119   9.775 -10.199
  121    H    THR  14           H        THR  14   4.425   8.248 -11.835
  122    HA   THR  14           HA       THR  14   3.491   5.572 -11.321
  123    HB   THR  14           HB       THR  14   5.965   6.980 -10.361
  124    HG1  THR  14           HG1      THR  14   6.928   6.353 -12.257
  125   HG21  THR  14          HG21      THR  14   5.760   4.847  -9.181
  126   HG22  THR  14          HG22      THR  14   5.204   3.987 -10.621
  127   HG23  THR  14          HG23      THR  14   6.891   4.522 -10.494
  128    H    LEU  15           H        LEU  15   2.879   4.768  -9.233
  129    HA   LEU  15           HA       LEU  15   3.238   6.541  -6.934
  130    HB2  LEU  15           HB2      LEU  15   0.975   6.398  -6.204
  131    HB3  LEU  15           HB3      LEU  15   0.991   7.132  -7.819
  132    HG   LEU  15           HG       LEU  15   0.422   4.188  -7.743
  133   HD11  LEU  15          HD11      LEU  15  -1.579   6.319  -6.922
  134   HD12  LEU  15          HD12      LEU  15  -1.918   4.593  -7.164
  135   HD13  LEU  15          HD13      LEU  15  -0.873   5.105  -5.823
  136   HD21  LEU  15          HD21      LEU  15  -0.794   6.496  -9.236
  137   HD22  LEU  15          HD22      LEU  15   0.471   5.392  -9.842
  138   HD23  LEU  15          HD23      LEU  15  -1.135   4.758  -9.376
  139    H    GLU  16           H        GLU  16   2.814   5.385  -4.884
  140    HA   GLU  16           HA       GLU  16   3.487   2.548  -5.276
  141    HB2  GLU  16           HB2      GLU  16   3.963   4.456  -2.977
  142    HB3  GLU  16           HB3      GLU  16   4.036   2.700  -2.758
  143    HG2  GLU  16           HG2      GLU  16   5.682   2.500  -4.577
  144    HG3  GLU  16           HG3      GLU  16   5.684   4.251  -4.795
  145    H    VAL  17           H        VAL  17   2.306   1.007  -4.547
  146    HA   VAL  17           HA       VAL  17  -0.273   1.397  -3.126
  147    HB   VAL  17           HB       VAL  17  -1.516   0.274  -4.927
  148   HG11  VAL  17          HG11      VAL  17  -0.056   2.627  -6.144
  149   HG12  VAL  17          HG12      VAL  17  -1.650   1.996  -6.586
  150   HG13  VAL  17          HG13      VAL  17  -1.416   2.738  -4.993
  151   HG21  VAL  17          HG21      VAL  17  -0.490  -0.095  -7.167
  152   HG22  VAL  17          HG22      VAL  17   1.105   0.334  -6.508
  153   HG23  VAL  17          HG23      VAL  17   0.231  -1.103  -5.929
  154    H    GLU  18           H        GLU  18  -1.319  -1.053  -3.462
  155    HA   GLU  18           HA       GLU  18   0.707  -3.163  -3.033
  156    HB2  GLU  18           HB2      GLU  18  -1.800  -2.642  -1.362
  157    HB3  GLU  18           HB3      GLU  18  -0.918  -4.160  -1.349
  158    HG2  GLU  18           HG2      GLU  18   0.192  -1.452  -0.520
  159    HG3  GLU  18           HG3      GLU  18  -0.376  -2.716   0.568
  160    HA   PRO  19           HA       PRO  19  -2.086  -4.916  -6.113
  161    HB2  PRO  19           HB2      PRO  19  -2.149  -7.497  -4.607
  162    HB3  PRO  19           HB3      PRO  19  -1.715  -7.185  -6.323
  163    HG2  PRO  19           HG2      PRO  19   0.159  -7.742  -4.384
  164    HG3  PRO  19           HG3      PRO  19   0.476  -6.672  -5.781
  165    HD2  PRO  19           HD2      PRO  19  -0.095  -5.928  -2.924
  166    HD3  PRO  19           HD3      PRO  19   0.971  -5.127  -4.116
  167    H    SER  20           H        SER  20  -2.781  -5.266  -2.627
  168    HA   SER  20           HA       SER  20  -5.649  -5.773  -3.146
  169    HB2  SER  20           HB2      SER  20  -4.121  -5.808  -0.518
  170    HB3  SER  20           HB3      SER  20  -5.743  -6.455  -0.833
  171    HG   SER  20           HG       SER  20  -4.126  -8.117  -0.808
  172    H    ASP  21           H        ASP  21  -3.833  -3.110  -3.281
  173    HA   ASP  21           HA       ASP  21  -5.333  -1.517  -1.436
  174    HB2  ASP  21           HB2      ASP  21  -3.050  -0.878  -2.452
  175    HB3  ASP  21           HB3      ASP  21  -3.948  -0.486  -3.933
  176    H    THR  22           H        THR  22  -7.259  -0.485  -1.892
  177    HA   THR  22           HA       THR  22  -8.791  -1.587  -4.075
  178    HB   THR  22           HB       THR  22 -10.575   0.046  -3.255
  179    HG1  THR  22           HG1      THR  22 -10.215   0.653  -1.009
  180   HG21  THR  22          HG21      THR  22 -11.256  -1.465  -1.448
  181   HG22  THR  22          HG22      THR  22 -10.734  -2.305  -2.908
  182   HG23  THR  22          HG23      THR  22  -9.649  -2.240  -1.489
  183    H    ILE  23           H        ILE  23  -9.573  -0.581  -5.812
  184    HA   ILE  23           HA       ILE  23  -8.293   1.492  -7.122
  185    HB   ILE  23           HB       ILE  23 -11.249   0.936  -7.140
  186   HG12  ILE  23          HG12      ILE  23 -10.577  -1.122  -7.794
  187   HG13  ILE  23          HG13      ILE  23 -10.470  -0.293  -9.347
  188   HG21  ILE  23          HG21      ILE  23 -10.712   3.045  -8.294
  189   HG22  ILE  23          HG22      ILE  23  -9.520   2.188  -9.293
  190   HG23  ILE  23          HG23      ILE  23 -11.259   1.827  -9.442
  191   HD11  ILE  23          HD11      ILE  23  -8.164  -1.064  -7.549
  192   HD12  ILE  23          HD12      ILE  23  -8.600  -1.731  -9.117
  193   HD13  ILE  23          HD13      ILE  23  -8.008  -0.051  -9.002
  194    H    GLU  24           H        GLU  24 -11.033   2.007  -4.731
  195    HA   GLU  24           HA       GLU  24 -11.208   4.775  -5.111
  196    HB2  GLU  24           HB2      GLU  24 -12.697   3.321  -3.681
  197    HB3  GLU  24           HB3      GLU  24 -11.439   3.297  -2.447
  198    HG2  GLU  24           HG2      GLU  24 -11.583   5.775  -2.253
  199    HG3  GLU  24           HG3      GLU  24 -12.795   5.803  -3.535
  200    H    ASN  25           H        ASN  25  -8.946   2.953  -3.034
  201    HA   ASN  25           HA       ASN  25  -7.856   5.396  -1.871
  202    HB2  ASN  25           HB2      ASN  25  -8.115   3.136  -0.716
  203    HB3  ASN  25           HB3      ASN  25  -6.807   2.555  -1.738
  204   HD21  ASN  25          HD22      ASN  25  -5.345   2.177  -0.044
  205   HD22  ASN  25          HD21      ASN  25  -4.874   3.375   1.163
  206    H    VAL  26           H        VAL  26  -7.123   3.351  -4.633
  207    HA   VAL  26           HA       VAL  26  -4.483   4.431  -5.190
  208    HB   VAL  26           HB       VAL  26  -6.647   2.959  -6.701
  209   HG11  VAL  26          HG11      VAL  26  -5.066   2.542  -8.526
  210   HG12  VAL  26          HG12      VAL  26  -5.472   4.269  -8.350
  211   HG13  VAL  26          HG13      VAL  26  -3.898   3.662  -7.774
  212   HG21  VAL  26          HG21      VAL  26  -5.317   1.009  -6.492
  213   HG22  VAL  26          HG22      VAL  26  -3.898   1.939  -5.924
  214   HG23  VAL  26          HG23      VAL  26  -5.318   1.737  -4.902
  215    H    LYS  27           H        LYS  27  -7.827   5.095  -6.553
  216    HA   LYS  27           HA       LYS  27  -7.130   7.406  -7.971
  217    HB2  LYS  27           HB2      LYS  27  -9.677   6.871  -6.334
  218    HB3  LYS  27           HB3      LYS  27  -9.499   8.207  -7.467
  219    HG2  LYS  27           HG2      LYS  27  -9.331   6.531  -9.342
  220    HG3  LYS  27           HG3      LYS  27  -9.697   5.262  -8.150
  221    HD2  LYS  27           HD2      LYS  27 -11.705   6.765  -7.450
  222    HD3  LYS  27           HD3      LYS  27 -11.386   7.671  -8.932
  223    HE2  LYS  27           HE2      LYS  27 -11.872   5.698 -10.281
  224    HE3  LYS  27           HE3      LYS  27 -12.120   4.744  -8.798
  225    HZ1  LYS  27           HZ1      LYS  27 -13.996   6.077  -8.215
  226    HZ2  LYS  27           HZ2      LYS  27 -13.717   7.203  -9.398
  227    HZ3  LYS  27           HZ3      LYS  27 -14.246   5.679  -9.771
  228    H    ALA  28           H        ALA  28  -7.771   7.105  -4.426
  229    HA   ALA  28           HA       ALA  28  -7.722   9.897  -3.876
  230    HB1  ALA  28           HB1      ALA  28  -6.760   7.619  -2.097
  231    HB2  ALA  28           HB2      ALA  28  -7.215   9.250  -1.575
  232    HB3  ALA  28           HB3      ALA  28  -8.454   8.162  -2.245
  233    H    LYS  29           H        LYS  29  -4.992   7.484  -4.096
  234    HA   LYS  29           HA       LYS  29  -2.955   9.471  -3.589
  235    HB2  LYS  29           HB2      LYS  29  -2.878   6.900  -5.206
  236    HB3  LYS  29           HB3      LYS  29  -1.449   7.863  -4.767
  237    HG2  LYS  29           HG2      LYS  29  -1.884   7.566  -2.406
  238    HG3  LYS  29           HG3      LYS  29  -3.446   6.799  -2.725
  239    HD2  LYS  29           HD2      LYS  29  -2.237   4.936  -3.942
  240    HD3  LYS  29           HD3      LYS  29  -0.710   5.704  -3.440
  241    HE2  LYS  29           HE2      LYS  29  -1.039   4.187  -1.695
  242    HE3  LYS  29           HE3      LYS  29  -1.736   5.695  -1.058
  243    HZ1  LYS  29           HZ1      LYS  29  -3.231   3.886  -0.638
  244    HZ2  LYS  29           HZ2      LYS  29  -3.949   4.838  -1.765
  245    HZ3  LYS  29           HZ3      LYS  29  -3.272   3.391  -2.182
  246    H    ILE  30           H        ILE  30  -4.689   8.515  -6.592
  247    HA   ILE  30           HA       ILE  30  -3.076  10.185  -8.279
  248    HB   ILE  30           HB       ILE  30  -6.005   9.645  -8.699
  249   HG12  ILE  30          HG12      ILE  30  -5.205   7.465  -8.497
  250   HG13  ILE  30          HG13      ILE  30  -5.238   7.753 -10.220
  251   HG21  ILE  30          HG21      ILE  30  -5.135  11.341 -10.200
  252   HG22  ILE  30          HG22      ILE  30  -3.692  10.357 -10.563
  253   HG23  ILE  30          HG23      ILE  30  -5.303   9.858 -11.121
  254   HD11  ILE  30          HD11      ILE  30  -2.766   7.940  -8.439
  255   HD12  ILE  30          HD12      ILE  30  -3.348   6.505  -9.283
  256   HD13  ILE  30          HD13      ILE  30  -2.820   7.952 -10.232
  257    H    GLN  31           H        GLN  31  -5.948  10.997  -6.355
  258    HA   GLN  31           HA       GLN  31  -6.176  13.706  -7.087
  259    HB2  GLN  31           HB2      GLN  31  -7.789  12.413  -5.638
  260    HB3  GLN  31           HB3      GLN  31  -6.617  12.567  -4.328
  261    HG2  GLN  31           HG2      GLN  31  -6.913  15.218  -5.060
  262    HG3  GLN  31           HG3      GLN  31  -8.519  14.590  -5.387
  263   HE21  GLN  31          HE22      GLN  31  -9.833  13.842  -3.554
  264   HE22  GLN  31          HE21      GLN  31  -9.315  14.111  -1.911
  265    H    ASP  32           H        ASP  32  -4.017  12.067  -4.767
  266    HA   ASP  32           HA       ASP  32  -2.840  14.469  -3.758
  267    HB2  ASP  32           HB2      ASP  32  -2.727  12.294  -2.591
  268    HB3  ASP  32           HB3      ASP  32  -1.637  11.691  -3.842
  269    H    LYS  33           H        LYS  33  -2.159  12.486  -6.700
  270    HA   LYS  33           HA       LYS  33   0.292  14.052  -7.160
  271    HB2  LYS  33           HB2      LYS  33  -0.664  11.606  -8.553
  272    HB3  LYS  33           HB3      LYS  33   0.900  12.457  -8.704
  273    HG2  LYS  33           HG2      LYS  33   0.932  12.200  -6.032
  274    HG3  LYS  33           HG3      LYS  33  -0.215  10.912  -6.349
  275    HD2  LYS  33           HD2      LYS  33   1.979  10.037  -6.050
  276    HD3  LYS  33           HD3      LYS  33   1.492   9.768  -7.728
  277    HE2  LYS  33           HE2      LYS  33   2.906  11.680  -8.454
  278    HE3  LYS  33           HE3      LYS  33   3.306  12.029  -6.768
  279    HZ1  LYS  33           HZ1      LYS  33   4.051   9.491  -8.152
  280    HZ2  LYS  33           HZ2      LYS  33   5.053  10.773  -7.902
  281    HZ3  LYS  33           HZ3      LYS  33   4.485   9.940  -6.625
  282    H    GLU  34           H        GLU  34  -2.912  13.861  -8.376
  283    HA   GLU  34           HA       GLU  34  -2.291  15.605 -10.699
  284    HB2  GLU  34           HB2      GLU  34  -4.497  13.543 -10.197
  285    HB3  GLU  34           HB3      GLU  34  -4.332  14.515 -11.667
  286    HG2  GLU  34           HG2      GLU  34  -2.486  12.344 -10.650
  287    HG3  GLU  34           HG3      GLU  34  -3.394  12.371 -12.158
  288    H    GLY  35           H        GLY  35  -4.568  15.135  -8.008
  289    HA2  GLY  35           HA2      GLY  35  -5.417  16.996  -6.824
  290    HA3  GLY  35           HA3      GLY  35  -5.407  17.964  -8.299
  291    H    ILE  36           H        ILE  36  -6.703  14.765  -8.799
  292    HA   ILE  36           HA       ILE  36  -9.337  16.056  -9.200
  293    HB   ILE  36           HB       ILE  36  -8.141  13.470 -10.218
  294   HG12  ILE  36          HG12      ILE  36  -8.528  16.140 -11.689
  295   HG13  ILE  36          HG13      ILE  36  -6.975  15.583 -11.052
  296   HG21  ILE  36          HG21      ILE  36 -10.614  14.997 -11.207
  297   HG22  ILE  36          HG22      ILE  36 -10.052  13.395 -11.749
  298   HG23  ILE  36          HG23      ILE  36 -10.709  13.601 -10.132
  299   HD11  ILE  36          HD11      ILE  36  -7.038  15.048 -13.364
  300   HD12  ILE  36          HD12      ILE  36  -7.126  13.549 -12.409
  301   HD13  ILE  36          HD13      ILE  36  -8.590  14.210 -13.200
  302    HA   PRO  37           HA       PRO  37 -10.592  13.615  -5.620
  303    HB2  PRO  37           HB2      PRO  37 -13.382  14.040  -5.870
  304    HB3  PRO  37           HB3      PRO  37 -12.203  15.058  -4.975
  305    HG2  PRO  37           HG2      PRO  37 -13.532  15.583  -7.564
  306    HG3  PRO  37           HG3      PRO  37 -12.734  16.713  -6.434
  307    HD2  PRO  37           HD2      PRO  37 -11.672  15.664  -8.896
  308    HD3  PRO  37           HD3      PRO  37 -10.819  16.654  -7.677
  309    HA   PRO  38           HA       PRO  38 -11.329   9.780  -7.461
  310    HB2  PRO  38           HB2      PRO  38 -12.671   8.306  -5.560
  311    HB3  PRO  38           HB3      PRO  38 -10.908   8.665  -5.521
  312    HG2  PRO  38           HG2      PRO  38 -13.143  10.067  -4.041
  313    HG3  PRO  38           HG3      PRO  38 -11.529   9.599  -3.419
  314    HD2  PRO  38           HD2      PRO  38 -12.062  12.132  -4.220
  315    HD3  PRO  38           HD3      PRO  38 -10.479  11.377  -4.575
  316    H    ASP  39           H        ASP  39 -14.311  11.165  -6.087
  317    HA   ASP  39           HA       ASP  39 -15.956   9.305  -7.584
  318    HB2  ASP  39           HB2      ASP  39 -16.839  10.437  -5.593
  319    HB3  ASP  39           HB3      ASP  39 -16.615  12.018  -6.354
  320    H    GLN  40           H        GLN  40 -14.245  12.165  -8.339
  321    HA   GLN  40           HA       GLN  40 -15.794  12.777 -10.803
  322    HB2  GLN  40           HB2      GLN  40 -14.972  14.472  -9.145
  323    HB3  GLN  40           HB3      GLN  40 -13.309  14.047  -9.521
  324    HG2  GLN  40           HG2      GLN  40 -13.385  14.976 -11.658
  325    HG3  GLN  40           HG3      GLN  40 -15.151  14.971 -11.723
  326   HE21  GLN  40          HE22      GLN  40 -16.257  16.378 -10.003
  327   HE22  GLN  40          HE21      GLN  40 -15.544  17.959  -9.691
  328    H    GLN  41           H        GLN  41 -13.344  10.605  -9.935
  329    HA   GLN  41           HA       GLN  41 -11.739  10.918 -12.421
  330    HB2  GLN  41           HB2      GLN  41 -10.918  11.390 -10.030
  331    HB3  GLN  41           HB3      GLN  41 -11.218   9.705  -9.662
  332    HG2  GLN  41           HG2      GLN  41  -9.570   9.250 -11.629
  333    HG3  GLN  41           HG3      GLN  41  -9.197  10.990 -11.460
  334   HE21  GLN  41          HE22      GLN  41  -8.949  11.469  -8.695
  335   HE22  GLN  41          HE21      GLN  41  -7.920  10.283  -7.962
  336    H    ARG  42           H        ARG  42 -11.612   9.033 -13.775
  337    HA   ARG  42           HA       ARG  42 -12.731   6.525 -12.532
  338    HB2  ARG  42           HB2      ARG  42 -13.380   7.765 -15.055
  339    HB3  ARG  42           HB3      ARG  42 -12.601   6.169 -15.351
  340    HG2  ARG  42           HG2      ARG  42 -14.231   4.983 -14.361
  341    HG3  ARG  42           HG3      ARG  42 -14.752   6.310 -13.273
  342    HD2  ARG  42           HD2      ARG  42 -15.795   7.442 -15.260
  343    HD3  ARG  42           HD3      ARG  42 -15.361   6.020 -16.236
  344    HE   ARG  42           HE       ARG  42 -16.850   5.378 -13.792
  345   HH11  ARG  42          HH12      ARG  42 -17.309   6.303 -17.202
  346   HH12  ARG  42          HH11      ARG  42 -18.941   5.694 -17.271
  347   HH21  ARG  42          HH21      ARG  42 -19.030   4.637 -13.905
  348   HH22  ARG  42          HH22      ARG  42 -19.896   4.748 -15.394
  349    H    LEU  43           H        LEU  43 -11.677   4.557 -13.113
  350    HA   LEU  43           HA       LEU  43  -8.822   4.936 -13.859
  351    HB2  LEU  43           HB2      LEU  43  -9.725   4.318 -11.262
  352    HB3  LEU  43           HB3      LEU  43  -9.434   2.728 -11.976
  353    HG   LEU  43           HG       LEU  43  -7.127   3.399 -12.542
  354   HD11  LEU  43          HD11      LEU  43  -7.312   5.875 -12.756
  355   HD12  LEU  43          HD12      LEU  43  -7.876   6.017 -11.088
  356   HD13  LEU  43          HD13      LEU  43  -6.208   5.508 -11.429
  357   HD21  LEU  43          HD21      LEU  43  -7.645   2.287 -10.366
  358   HD22  LEU  43          HD22      LEU  43  -6.306   3.420 -10.218
  359   HD23  LEU  43          HD23      LEU  43  -7.889   3.889  -9.595
  360    H    ILE  44           H        ILE  44  -8.330   3.779 -15.461
  361    HA   ILE  44           HA       ILE  44  -9.925   1.367 -16.256
  362    HB   ILE  44           HB       ILE  44  -8.678   3.527 -18.030
  363   HG12  ILE  44          HG12      ILE  44 -11.543   2.928 -17.161
  364   HG13  ILE  44          HG13      ILE  44 -10.596   4.367 -16.799
  365   HG21  ILE  44          HG21      ILE  44  -9.695   2.482 -19.947
  366   HG22  ILE  44          HG22      ILE  44  -8.550   1.390 -19.228
  367   HG23  ILE  44          HG23      ILE  44 -10.323   1.153 -18.975
  368   HD11  ILE  44          HD11      ILE  44 -10.596   4.879 -19.248
  369   HD12  ILE  44          HD12      ILE  44 -11.909   3.650 -19.359
  370   HD13  ILE  44          HD13      ILE  44 -12.093   5.065 -18.280
  371    H    PHE  45           H        PHE  45  -8.758  -0.278 -17.315
  372    HA   PHE  45           HA       PHE  45  -5.786  -0.116 -17.121
  373    HB2  PHE  45           HB2      PHE  45  -6.564  -1.080 -15.012
  374    HB3  PHE  45           HB3      PHE  45  -7.675  -2.139 -15.887
  375    HD1  PHE  45           HD1      PHE  45  -4.009  -1.350 -16.284
  376    HD2  PHE  45           HD2      PHE  45  -7.010  -4.397 -15.840
  377    HE1  PHE  45           HE1      PHE  45  -2.249  -3.092 -16.399
  378    HE2  PHE  45           HE2      PHE  45  -5.244  -6.141 -15.773
  379    HZ   PHE  45           HZ       PHE  45  -2.865  -5.502 -16.092
  380    H    ALA  46           H        ALA  46  -5.155  -0.686 -19.111
  381    HA   ALA  46           HA       ALA  46  -5.133  -1.579 -21.144
  382    HB1  ALA  46           HB1      ALA  46  -5.725  -3.991 -19.358
  383    HB2  ALA  46           HB2      ALA  46  -4.915  -4.098 -20.951
  384    HB3  ALA  46           HB3      ALA  46  -4.131  -3.245 -19.598
  385    H    GLY  47           H        GLY  47  -7.624  -0.549 -20.774
  386    HA2  GLY  47           HA2      GLY  47  -9.264  -0.252 -22.363
  387    HA3  GLY  47           HA3      GLY  47  -9.021  -1.889 -22.994
  388    H    LYS  48           H        LYS  48  -9.378  -1.786 -19.502
  389    HA   LYS  48           HA       LYS  48 -12.331  -1.891 -19.689
  390    HB2  LYS  48           HB2      LYS  48 -12.486  -3.845 -18.310
  391    HB3  LYS  48           HB3      LYS  48 -11.492  -4.192 -19.732
  392    HG2  LYS  48           HG2      LYS  48  -9.444  -4.054 -18.364
  393    HG3  LYS  48           HG3      LYS  48 -10.404  -3.618 -16.939
  394    HD2  LYS  48           HD2      LYS  48  -9.779  -5.937 -16.803
  395    HD3  LYS  48           HD3      LYS  48 -11.529  -5.819 -17.025
  396    HE2  LYS  48           HE2      LYS  48 -11.264  -6.340 -19.441
  397    HE3  LYS  48           HE3      LYS  48  -9.508  -6.383 -19.254
  398    HZ1  LYS  48           HZ1      LYS  48 -10.464  -8.602 -19.230
  399    HZ2  LYS  48           HZ2      LYS  48  -9.781  -8.306 -17.776
  400    HZ3  LYS  48           HZ3      LYS  48 -11.417  -8.256 -17.948
  401    H    GLN  49           H        GLN  49 -13.376  -0.951 -18.047
  402    HA   GLN  49           HA       GLN  49 -11.935   0.948 -16.370
  403    HB2  GLN  49           HB2      GLN  49 -14.315   1.106 -17.536
  404    HB3  GLN  49           HB3      GLN  49 -14.865   0.159 -16.157
  405    HG2  GLN  49           HG2      GLN  49 -13.631   2.122 -14.782
  406    HG3  GLN  49           HG3      GLN  49 -13.860   3.008 -16.280
  407   HE21  GLN  49          HE22      GLN  49 -15.390   1.768 -13.412
  408   HE22  GLN  49          HE21      GLN  49 -17.037   2.230 -13.806
  409    H    LEU  50           H        LEU  50 -11.845   0.910 -14.095
  410    HA   LEU  50           HA       LEU  50 -12.455  -1.692 -12.737
  411    HB2  LEU  50           HB2      LEU  50 -10.822   0.532 -11.533
  412    HB3  LEU  50           HB3      LEU  50 -10.802  -1.212 -11.222
  413    HG   LEU  50           HG       LEU  50  -9.507   0.270 -13.517
  414   HD11  LEU  50          HD11      LEU  50  -8.301  -1.536 -11.407
  415   HD12  LEU  50          HD12      LEU  50  -7.442  -0.563 -12.624
  416   HD13  LEU  50          HD13      LEU  50  -8.339   0.251 -11.331
  417   HD21  LEU  50          HD21      LEU  50 -10.253  -2.604 -13.348
  418   HD22  LEU  50          HD22      LEU  50  -9.936  -1.605 -14.764
  419   HD23  LEU  50          HD23      LEU  50  -8.596  -2.292 -13.834
  420    H    GLU  51           H        GLU  51 -13.127  -1.069 -10.240
  421    HA   GLU  51           HA       GLU  51 -14.657   1.419 -10.220
  422    HB2  GLU  51           HB2      GLU  51 -16.715   0.584  -9.547
  423    HB3  GLU  51           HB3      GLU  51 -16.250  -0.442 -10.903
  424    HG2  GLU  51           HG2      GLU  51 -15.447  -2.141  -9.246
  425    HG3  GLU  51           HG3      GLU  51 -16.093  -1.150  -7.943
  426    H    ASP  52           H        ASP  52 -15.259   2.043  -8.000
  427    HA   ASP  52           HA       ASP  52 -12.873   2.389  -6.605
  428    HB2  ASP  52           HB2      ASP  52 -15.785   2.887  -5.952
  429    HB3  ASP  52           HB3      ASP  52 -14.543   3.226  -4.759
  430    H    GLY  53           H        GLY  53 -15.453   0.055  -5.983
  431    HA2  GLY  53           HA2      GLY  53 -14.514  -0.686  -3.376
  432    HA3  GLY  53           HA3      GLY  53 -15.755  -1.495  -4.363
  433    H    ARG  54           H        ARG  54 -13.214  -1.523  -6.442
  434    HA   ARG  54           HA       ARG  54 -12.539  -4.331  -5.685
  435    HB2  ARG  54           HB2      ARG  54 -12.552  -2.730  -8.249
  436    HB3  ARG  54           HB3      ARG  54 -11.849  -4.376  -8.114
  437    HG2  ARG  54           HG2      ARG  54 -14.066  -5.224  -7.311
  438    HG3  ARG  54           HG3      ARG  54 -14.745  -3.601  -7.534
  439    HD2  ARG  54           HD2      ARG  54 -14.232  -3.706  -9.920
  440    HD3  ARG  54           HD3      ARG  54 -13.606  -5.339  -9.762
  441    HE   ARG  54           HE       ARG  54 -16.403  -4.396  -9.653
  442   HH11  ARG  54          HH21      ARG  54 -14.229  -7.206  -9.186
  443   HH12  ARG  54          HH22      ARG  54 -15.513  -8.368  -9.322
  444   HH21  ARG  54          HH11      ARG  54 -18.053  -5.900  -9.791
  445   HH22  ARG  54          HH12      ARG  54 -17.756  -7.602  -9.686
  446    H    THR  55           H        THR  55 -10.218  -4.909  -6.646
  447    HA   THR  55           HA       THR  55  -8.315  -2.823  -5.650
  448    HB   THR  55           HB       THR  55  -7.057  -4.732  -4.766
  449    HG1  THR  55           HG1      THR  55  -7.774  -6.743  -4.977
  450   HG21  THR  55          HG21      THR  55  -8.403  -5.237  -2.756
  451   HG22  THR  55          HG22      THR  55  -8.352  -3.523  -3.160
  452   HG23  THR  55          HG23      THR  55  -9.815  -4.485  -3.531
  453    H    LEU  56           H        LEU  56  -6.078  -3.400  -6.248
  454    HA   LEU  56           HA       LEU  56  -6.007  -3.522  -9.151
  455    HB2  LEU  56           HB2      LEU  56  -3.659  -3.903  -7.251
  456    HB3  LEU  56           HB3      LEU  56  -3.577  -3.416  -8.923
  457    HG   LEU  56           HG       LEU  56  -4.726  -1.789  -6.628
  458   HD11  LEU  56          HD11      LEU  56  -2.273  -1.396  -8.399
  459   HD12  LEU  56          HD12      LEU  56  -2.870  -0.272  -7.148
  460   HD13  LEU  56          HD13      LEU  56  -2.285  -1.885  -6.689
  461   HD21  LEU  56          HD21      LEU  56  -4.901   0.035  -8.411
  462   HD22  LEU  56          HD22      LEU  56  -4.546  -1.183  -9.636
  463   HD23  LEU  56          HD23      LEU  56  -6.021  -1.308  -8.647
  464    H    SER  57           H        SER  57  -5.298  -5.852  -6.593
  465    HA   SER  57           HA       SER  57  -4.599  -8.081  -8.149
  466    HB2  SER  57           HB2      SER  57  -5.488  -9.316  -6.115
  467    HB3  SER  57           HB3      SER  57  -4.207  -8.109  -5.833
  468    HG   SER  57           HG       SER  57  -5.961  -8.007  -4.308
  469    H    ASP  58           H        ASP  58  -7.868  -6.712  -7.462
  470    HA   ASP  58           HA       ASP  58  -9.270  -9.086  -8.264
  471    HB2  ASP  58           HB2      ASP  58 -10.174  -7.224  -6.836
  472    HB3  ASP  58           HB3      ASP  58 -10.274  -6.239  -8.303
  473    H    TYR  59           H        TYR  59  -7.484  -6.776  -9.923
  474    HA   TYR  59           HA       TYR  59  -8.598  -7.520 -12.595
  475    HB2  TYR  59           HB2      TYR  59  -7.351  -4.955 -11.580
  476    HB3  TYR  59           HB3      TYR  59  -7.540  -5.303 -13.305
  477    HD1  TYR  59           HD2      TYR  59  -9.834  -5.871 -14.199
  478    HD2  TYR  59           HD1      TYR  59  -9.239  -4.088 -10.287
  479    HE1  TYR  59           HE2      TYR  59 -12.213  -5.220 -14.140
  480    HE2  TYR  59           HE1      TYR  59 -11.598  -3.552 -10.166
  481    HH   TYR  59           HH       TYR  59 -13.892  -4.180 -12.945
  482    H    ASN  60           H        ASN  60  -6.310  -8.379 -10.563
  483    HA   ASN  60           HA       ASN  60  -4.430  -9.461 -10.585
  484    HB2  ASN  60           HB2      ASN  60  -5.862 -10.639 -12.549
  485    HB3  ASN  60           HB3      ASN  60  -4.458 -10.155 -13.501
  486   HD21  ASN  60          HD22      ASN  60  -5.368 -11.663 -10.357
  487   HD22  ASN  60          HD21      ASN  60  -4.060 -12.830 -10.328
  488    H    ILE  61           H        ILE  61  -4.397  -6.606 -11.326
  489    HA   ILE  61           HA       ILE  61  -1.975  -6.006 -12.786
  490    HB   ILE  61           HB       ILE  61  -3.618  -4.671 -10.619
  491   HG12  ILE  61          HG12      ILE  61  -3.511  -3.701 -13.474
  492   HG13  ILE  61          HG13      ILE  61  -4.584  -5.035 -13.047
  493   HG21  ILE  61          HG21      ILE  61  -1.359  -3.688 -10.525
  494   HG22  ILE  61          HG22      ILE  61  -1.395  -3.403 -12.283
  495   HG23  ILE  61          HG23      ILE  61  -2.479  -2.514 -11.197
  496   HD11  ILE  61          HD11      ILE  61  -5.773  -2.901 -12.940
  497   HD12  ILE  61          HD12      ILE  61  -5.677  -3.654 -11.335
  498   HD13  ILE  61          HD13      ILE  61  -4.626  -2.307 -11.715
  499    H    GLN  62           H        GLN  62   0.094  -5.863 -11.922
  500    HA   GLN  62           HA       GLN  62   0.564  -6.667  -9.083
  501    HB2  GLN  62           HB2      GLN  62   2.169  -7.423 -11.580
  502    HB3  GLN  62           HB3      GLN  62   2.576  -7.863  -9.911
  503    HG2  GLN  62           HG2      GLN  62   0.511  -9.211  -9.733
  504    HG3  GLN  62           HG3      GLN  62   0.047  -8.719 -11.362
  505   HE21  GLN  62          HE22      GLN  62   0.210 -10.485 -12.669
  506   HE22  GLN  62          HE21      GLN  62   1.589 -11.561 -12.732
  507    H    LYS  63           H        LYS  63   3.265  -6.049  -8.969
  508    HA   LYS  63           HA       LYS  63   3.406  -3.217  -9.005
  509    HB2  LYS  63           HB2      LYS  63   5.671  -3.551  -8.327
  510    HB3  LYS  63           HB3      LYS  63   4.739  -4.889  -7.607
  511    HG2  LYS  63           HG2      LYS  63   5.571  -6.318  -9.534
  512    HG3  LYS  63           HG3      LYS  63   6.658  -4.965  -9.944
  513    HD2  LYS  63           HD2      LYS  63   7.540  -5.026  -7.565
  514    HD3  LYS  63           HD3      LYS  63   6.490  -6.415  -7.261
  515    HE2  LYS  63           HE2      LYS  63   8.501  -7.424  -7.637
  516    HE3  LYS  63           HE3      LYS  63   7.692  -7.580  -9.200
  517    HZ1  LYS  63           HZ1      LYS  63   9.769  -5.562  -8.514
  518    HZ2  LYS  63           HZ2      LYS  63  10.013  -6.892  -9.422
  519    HZ3  LYS  63           HZ3      LYS  63   9.064  -5.696  -9.995
  520    H    GLU  64           H        GLU  64   4.999  -2.010 -10.104
  521    HA   GLU  64           HA       GLU  64   5.513  -0.946 -11.902
  522    HB2  GLU  64           HB2      GLU  64   7.513  -1.680 -12.980
  523    HB3  GLU  64           HB3      GLU  64   7.536  -2.248 -11.322
  524    HG2  GLU  64           HG2      GLU  64   6.735  -4.516 -12.350
  525    HG3  GLU  64           HG3      GLU  64   7.224  -3.785 -13.891
  526    H    SER  65           H        SER  65   3.090  -1.531 -12.191
  527    HA   SER  65           HA       SER  65   2.699  -2.584 -14.989
  528    HB2  SER  65           HB2      SER  65   0.911  -3.004 -12.569
  529    HB3  SER  65           HB3      SER  65   0.476  -3.401 -14.232
  530    HG   SER  65           HG       SER  65   2.725  -4.484 -12.844
  531    H    THR  66           H        THR  66   0.962  -1.597 -16.122
  532    HA   THR  66           HA       THR  66   0.831   1.246 -15.364
  533    HB   THR  66           HB       THR  66   0.463  -0.028 -18.103
  534    HG1  THR  66           HG1      THR  66   2.623   0.321 -18.428
  535   HG21  THR  66          HG21      THR  66  -0.412   2.322 -17.987
  536   HG22  THR  66          HG22      THR  66   1.171   2.858 -17.385
  537   HG23  THR  66          HG23      THR  66   1.022   2.188 -19.018
  538    H    LEU  67           H        LEU  67  -0.999   2.397 -15.436
  539    HA   LEU  67           HA       LEU  67  -3.648   1.079 -15.810
  540    HB2  LEU  67           HB2      LEU  67  -2.367   2.089 -13.424
  541    HB3  LEU  67           HB3      LEU  67  -3.535   3.317 -13.936
  542    HG   LEU  67           HG       LEU  67  -5.307   1.608 -13.937
  543   HD11  LEU  67          HD11      LEU  67  -3.761  -0.406 -14.223
  544   HD12  LEU  67          HD12      LEU  67  -3.178  -0.147 -12.578
  545   HD13  LEU  67          HD13      LEU  67  -4.904  -0.535 -12.881
  546   HD21  LEU  67          HD21      LEU  67  -3.770   1.843 -11.309
  547   HD22  LEU  67          HD22      LEU  67  -4.836   3.093 -12.000
  548   HD23  LEU  67          HD23      LEU  67  -5.506   1.510 -11.507
  549    H    HIS  68           H        HIS  68  -5.363   3.008 -15.880
  550    HA   HIS  68           HA       HIS  68  -4.224   5.299 -17.434
  551    HB2  HIS  68           HB2      HIS  68  -6.502   3.455 -18.062
  552    HB3  HIS  68           HB3      HIS  68  -6.642   5.153 -18.505
  553    HD2  HIS  68           HD2      HIS  68  -6.719   4.648 -21.046
  554    HE1  HIS  68           HE1      HIS  68  -2.879   2.896 -21.534
  555    H    LEU  69           H        LEU  69  -5.091   7.379 -16.740
  556    HA   LEU  69           HA       LEU  69  -7.230   7.325 -14.627
  557    HB2  LEU  69           HB2      LEU  69  -5.077   8.307 -13.983
  558    HB3  LEU  69           HB3      LEU  69  -5.014   9.239 -15.472
  559    HG   LEU  69           HG       LEU  69  -5.328  10.491 -13.420
  560   HD11  LEU  69          HD11      LEU  69  -5.908  11.413 -15.680
  561   HD12  LEU  69          HD12      LEU  69  -7.608  11.024 -15.346
  562   HD13  LEU  69          HD13      LEU  69  -6.739  12.150 -14.310
  563   HD21  LEU  69          HD21      LEU  69  -7.332  10.606 -12.324
  564   HD22  LEU  69          HD22      LEU  69  -8.217   9.588 -13.505
  565   HD23  LEU  69          HD23      LEU  69  -7.005   8.857 -12.420
  566    H    VAL  70           H        VAL  70  -9.183   8.257 -15.317
  567    HA   VAL  70           HA       VAL  70  -9.033  10.194 -17.576
  568    HB   VAL  70           HB       VAL  70 -10.851   9.365 -18.722
  569   HG11  VAL  70          HG11      VAL  70 -10.359   7.181 -19.472
  570   HG12  VAL  70          HG12      VAL  70  -8.796   7.824 -18.902
  571   HG13  VAL  70          HG13      VAL  70  -9.671   6.691 -17.891
  572   HG21  VAL  70          HG21      VAL  70 -12.342   7.490 -18.066
  573   HG22  VAL  70          HG22      VAL  70 -11.444   7.426 -16.524
  574   HG23  VAL  70          HG23      VAL  70 -12.455   8.848 -16.951
  575    H    LEU  71           H        LEU  71 -11.053  11.519 -17.623
  576    HA   LEU  71           HA       LEU  71 -11.730  12.299 -14.836
  577    HB2  LEU  71           HB2      LEU  71 -10.518  13.834 -16.494
  578    HB3  LEU  71           HB3      LEU  71 -12.004  13.826 -17.434
  579    HG   LEU  71           HG       LEU  71 -11.382  15.795 -15.833
  580   HD11  LEU  71          HD11      LEU  71 -13.862  16.264 -15.647
  581   HD12  LEU  71          HD12      LEU  71 -13.262  15.860 -17.260
  582   HD13  LEU  71          HD13      LEU  71 -14.145  14.635 -16.354
  583   HD21  LEU  71          HD21      LEU  71 -11.270  14.373 -13.754
  584   HD22  LEU  71          HD22      LEU  71 -12.361  15.754 -13.658
  585   HD23  LEU  71          HD23      LEU  71 -13.022  14.134 -13.873
  586    H    ARG  72           H        ARG  72 -13.791  11.952 -14.285
  587    HA   ARG  72           HA       ARG  72 -15.822  11.575 -16.423
  588    HB2  ARG  72           HB2      ARG  72 -16.702   9.701 -15.443
  589    HB3  ARG  72           HB3      ARG  72 -14.996   9.499 -15.127
  590    HG2  ARG  72           HG2      ARG  72 -15.476   9.143 -12.938
  591    HG3  ARG  72           HG3      ARG  72 -16.015  10.816 -12.795
  592    HD2  ARG  72           HD2      ARG  72 -18.281  10.111 -13.620
  593    HD3  ARG  72           HD3      ARG  72 -17.700   8.434 -13.660
  594    HE   ARG  72           HE       ARG  72 -17.401   9.705 -11.035
  595   HH11  ARG  72          HH11      ARG  72 -19.745   7.979 -13.126
  596   HH12  ARG  72          HH12      ARG  72 -20.724   7.472 -11.799
  597   HH21  ARG  72          HH21      ARG  72 -18.836   9.108  -9.287
  598   HH22  ARG  72          HH22      ARG  72 -20.182   8.101  -9.618
  599    H    LEU  73           H        LEU  73 -15.032  13.948 -14.855
  600    HA   LEU  73           HA       LEU  73 -15.978  15.838 -14.105
  601    HB2  LEU  73           HB2      LEU  73 -18.561  14.865 -15.358
  602    HB3  LEU  73           HB3      LEU  73 -18.015  16.504 -15.092
  603    HG   LEU  73           HG       LEU  73 -16.065  15.896 -16.753
  604   HD11  LEU  73          HD11      LEU  73 -16.189  13.631 -17.295
  605   HD12  LEU  73          HD12      LEU  73 -17.958  13.563 -17.161
  606   HD13  LEU  73          HD13      LEU  73 -17.176  14.284 -18.558
  607   HD21  LEU  73          HD21      LEU  73 -17.647  17.595 -17.176
  608   HD22  LEU  73          HD22      LEU  73 -17.624  16.577 -18.608
  609   HD23  LEU  73          HD23      LEU  73 -18.959  16.451 -17.446
  610    H    ARG  74           H        ARG  74 -17.893  13.103 -12.820
  611    HA   ARG  74           HA       ARG  74 -19.877  14.742 -11.584
  612    HB2  ARG  74           HB2      ARG  74 -18.977  11.863 -11.239
  613    HB3  ARG  74           HB3      ARG  74 -20.059  12.555 -10.051
  614    HG2  ARG  74           HG2      ARG  74 -21.517  11.561 -11.564
  615    HG3  ARG  74           HG3      ARG  74 -21.623  13.280 -11.908
  616    HD2  ARG  74           HD2      ARG  74 -19.932  12.856 -13.802
  617    HD3  ARG  74           HD3      ARG  74 -20.213  11.129 -13.552
  618    HE   ARG  74           HE       ARG  74 -21.710  12.915 -15.103
  619   HH11  ARG  74          HH12      ARG  74 -22.577  10.332 -12.756
  620   HH12  ARG  74          HH11      ARG  74 -24.050   9.978 -13.577
  621   HH21  ARG  74          HH21      ARG  74 -23.495  12.442 -16.094
  622   HH22  ARG  74          HH22      ARG  74 -24.648  11.243 -15.527
  623    H    GLY  75           H        GLY  75 -20.319  14.753  -9.132
  624    HA2  GLY  75           HA2      GLY  75 -18.147  14.700  -7.283
  625    HA3  GLY  75           HA3      GLY  75 -18.406  16.360  -7.844
  626    H    GLY  76           H        GLY  76 -20.849  13.753  -7.309
  627    HA2  GLY  76           HA2      GLY  76 -22.008  14.574  -4.913
  628    HA3  GLY  76           HA3      GLY  76 -22.748  15.578  -6.177
  629    H1   GLY  -3           H1       GLY  -3  -9.268  18.003 -32.184
  630    H2   GLY  -3           H2       GLY  -3  -8.908  18.999 -30.940
  631    H3   GLY  -3           H3       GLY  -3 -10.060  19.440 -32.031
  632    HA2  GLY  -3           HA2      GLY  -3 -11.122  18.718 -29.997
  633    HA3  GLY  -3           HA3      GLY  -3 -11.495  17.645 -31.360
  634    H    HIS  -2           H        HIS  -2 -12.024  16.123 -29.591
  635    HA   HIS  -2           HA       HIS  -2 -11.691  14.377 -28.220
  636    HB2  HIS  -2           HB2      HIS  -2  -9.254  13.907 -29.964
  637    HB3  HIS  -2           HB3      HIS  -2 -10.112  12.700 -29.022
  638    HD2  HIS  -2           HD2      HIS  -2 -12.953  12.575 -29.795
  639    HE1  HIS  -2           HE1      HIS  -2 -12.025  13.323 -33.880
  640    H    MET  -1           H        MET  -1 -10.674  16.832 -27.191
  641    HA   MET  -1           HA       MET  -1  -9.194  15.917 -24.896
  642    HB2  MET  -1           HB2      MET  -1  -7.270  16.223 -26.268
  643    HB3  MET  -1           HB3      MET  -1  -7.907  17.681 -27.033
  644    HG2  MET  -1           HG2      MET  -1  -7.269  17.632 -24.072
  645    HG3  MET  -1           HG3      MET  -1  -6.009  17.859 -25.284
  646    HE1  MET  -1           HE1      MET  -1  -6.366  21.436 -23.767
  647    HE2  MET  -1           HE2      MET  -1  -6.553  19.890 -22.923
  648    HE3  MET  -1           HE3      MET  -1  -5.261  20.090 -24.133
  649    H    PHE 679           H        PHE 679  -9.684  17.433 -23.173
  650    HA   PHE 679           HA       PHE 679 -11.274  19.818 -23.915
  651    HB2  PHE 679           HB2      PHE 679 -12.289  17.493 -22.279
  652    HB3  PHE 679           HB3      PHE 679 -12.882  19.141 -22.037
  653    HD1  PHE 679           HD2      PHE 679 -12.553  16.406 -24.558
  654    HD2  PHE 679           HD1      PHE 679 -14.464  20.143 -23.551
  655    HE1  PHE 679           HE2      PHE 679 -14.135  16.109 -26.448
  656    HE2  PHE 679           HE1      PHE 679 -16.037  19.838 -25.440
  657    HZ   PHE 679           HZ       PHE 679 -15.880  17.826 -26.897
  658    HA   PRO 680           HA       PRO 680  -9.119  20.924 -19.966
  659    HB2  PRO 680           HB2      PRO 680  -8.667  19.275 -17.849
  660    HB3  PRO 680           HB3      PRO 680 -10.246  20.066 -18.122
  661    HG2  PRO 680           HG2      PRO 680  -9.458  17.237 -18.801
  662    HG3  PRO 680           HG3      PRO 680 -10.956  17.813 -18.023
  663    HD2  PRO 680           HD2      PRO 680 -10.773  17.261 -20.717
  664    HD3  PRO 680           HD3      PRO 680 -11.871  18.502 -20.043
  665    H    SER 681           H        SER 681  -6.803  20.795 -19.273
  666    HA   SER 681           HA       SER 681  -5.089  19.708 -21.171
  667    HB2  SER 681           HB2      SER 681  -4.357  20.478 -18.325
  668    HB3  SER 681           HB3      SER 681  -3.338  20.553 -19.776
  669    HG   SER 681           HG       SER 681  -4.214  22.619 -19.222
  670    H    ASP 682           H        ASP 682  -6.589  17.990 -18.645
  671    HA   ASP 682           HA       ASP 682  -4.646  15.950 -18.057
  672    HB2  ASP 682           HB2      ASP 682  -6.719  16.688 -16.730
  673    HB3  ASP 682           HB3      ASP 682  -7.639  15.845 -18.002
  674    H    ILE 683           H        ILE 683  -6.223  16.470 -20.994
  675    HA   ILE 683           HA       ILE 683  -6.285  13.544 -21.528
  676    HB   ILE 683           HB       ILE 683  -8.224  15.416 -22.795
  677   HG12  ILE 683          HG12      ILE 683  -8.631  15.932 -20.417
  678   HG13  ILE 683          HG13      ILE 683  -9.967  15.106 -21.185
  679   HG21  ILE 683          HG21      ILE 683  -8.660  12.631 -21.839
  680   HG22  ILE 683          HG22      ILE 683  -9.510  13.542 -23.108
  681   HG23  ILE 683          HG23      ILE 683  -7.864  12.962 -23.398
  682   HD11  ILE 683          HD11      ILE 683  -8.052  13.659 -19.300
  683   HD12  ILE 683          HD12      ILE 683  -9.559  14.459 -18.823
  684   HD13  ILE 683          HD13      ILE 683  -9.600  13.097 -19.930
  685    H    ASP 684           H        ASP 684  -5.672  12.913 -23.624
  686    HA   ASP 684           HA       ASP 684  -4.872  14.846 -25.679
  687    HB2  ASP 684           HB2      ASP 684  -2.797  14.479 -24.447
  688    HB3  ASP 684           HB3      ASP 684  -3.032  12.732 -24.443
  689    HA   PRO 685           HA       PRO 685  -7.275  11.897 -27.889
  690    HB2  PRO 685           HB2      PRO 685  -5.246  12.143 -30.114
  691    HB3  PRO 685           HB3      PRO 685  -7.037  12.176 -30.206
  692    HG2  PRO 685           HG2      PRO 685  -5.610  14.493 -30.260
  693    HG3  PRO 685           HG3      PRO 685  -7.113  14.384 -29.302
  694    HD2  PRO 685           HD2      PRO 685  -4.270  14.239 -28.349
  695    HD3  PRO 685           HD3      PRO 685  -5.685  15.034 -27.600
  696    H    GLN 686           H        GLN 686  -3.729  11.196 -27.828
  697    HA   GLN 686           HA       GLN 686  -3.942   8.634 -29.074
  698    HB2  GLN 686           HB2      GLN 686  -1.837   9.772 -27.172
  699    HB3  GLN 686           HB3      GLN 686  -1.643   8.297 -28.124
  700    HG2  GLN 686           HG2      GLN 686  -1.635   9.478 -30.194
  701    HG3  GLN 686           HG3      GLN 686  -2.275  10.954 -29.475
  702   HE21  GLN 686          HE22      GLN 686  -0.917  12.044 -27.775
  703   HE22  GLN 686          HE21      GLN 686   0.833  12.056 -28.036
  704    H    VAL 687           H        VAL 687  -3.551   9.475 -25.566
  705    HA   VAL 687           HA       VAL 687  -3.881   6.768 -24.683
  706    HB   VAL 687           HB       VAL 687  -4.636   9.209 -23.086
  707   HG11  VAL 687          HG11      VAL 687  -5.160   7.075 -22.028
  708   HG12  VAL 687          HG12      VAL 687  -3.589   6.432 -22.405
  709   HG13  VAL 687          HG13      VAL 687  -3.759   7.750 -21.202
  710   HG21  VAL 687          HG21      VAL 687  -2.215   9.180 -22.292
  711   HG22  VAL 687          HG22      VAL 687  -1.850   8.249 -23.771
  712   HG23  VAL 687          HG23      VAL 687  -2.516   9.897 -23.868
  713    H    PHE 688           H        PHE 688  -6.069   9.355 -25.562
  714    HA   PHE 688           HA       PHE 688  -8.321   8.404 -24.086
  715    HB2  PHE 688           HB2      PHE 688  -7.950  10.584 -24.503
  716    HB3  PHE 688           HB3      PHE 688  -7.855  10.407 -26.254
  717    HD1  PHE 688           HD1      PHE 688 -10.474   9.511 -23.644
  718    HD2  PHE 688           HD2      PHE 688  -9.609  10.971 -27.603
  719    HE1  PHE 688           HE1      PHE 688 -12.894   9.881 -24.041
  720    HE2  PHE 688           HE2      PHE 688 -12.036  11.277 -28.011
  721    HZ   PHE 688           HZ       PHE 688 -13.676  10.748 -26.227
  722    H    TYR 689           H        TYR 689  -7.052   7.846 -27.404
  723    HA   TYR 689           HA       TYR 689  -9.194   6.036 -28.161
  724    HB2  TYR 689           HB2      TYR 689  -6.373   6.401 -29.213
  725    HB3  TYR 689           HB3      TYR 689  -7.647   5.484 -30.017
  726    HD1  TYR 689           HD2      TYR 689  -9.914   7.675 -29.442
  727    HD2  TYR 689           HD1      TYR 689  -5.908   7.815 -31.076
  728    HE1  TYR 689           HE2      TYR 689 -10.501   9.701 -30.689
  729    HE2  TYR 689           HE1      TYR 689  -6.502   9.864 -32.327
  730    HH   TYR 689           HH       TYR 689  -9.787  11.341 -32.198
  731    H    GLU 690           H        GLU 690  -6.193   5.724 -26.335
  732    HA   GLU 690           HA       GLU 690  -5.711   2.928 -26.485
  733    HB2  GLU 690           HB2      GLU 690  -4.359   4.989 -25.693
  734    HB3  GLU 690           HB3      GLU 690  -5.031   4.577 -24.106
  735    HG2  GLU 690           HG2      GLU 690  -3.974   2.352 -24.297
  736    HG3  GLU 690           HG3      GLU 690  -3.392   2.756 -25.916
  737    H    LEU 691           H        LEU 691  -8.589   4.101 -25.416
  738    HA   LEU 691           HA       LEU 691  -8.942   2.066 -23.270
  739    HB2  LEU 691           HB2      LEU 691  -9.658   3.646 -21.740
  740    HB3  LEU 691           HB3      LEU 691  -8.412   4.493 -22.562
  741    HG   LEU 691           HG       LEU 691 -10.595   5.294 -24.068
  742   HD11  LEU 691          HD11      LEU 691 -12.304   4.252 -22.711
  743   HD12  LEU 691          HD12      LEU 691 -11.606   4.923 -21.232
  744   HD13  LEU 691          HD13      LEU 691 -12.348   5.982 -22.432
  745   HD21  LEU 691          HD21      LEU 691  -8.838   6.680 -22.953
  746   HD22  LEU 691          HD22      LEU 691 -10.460   7.362 -22.683
  747   HD23  LEU 691          HD23      LEU 691  -9.645   6.412 -21.400
  748    HA   PRO 692           HA       PRO 692 -12.480   0.756 -25.352
  749    HB2  PRO 692           HB2      PRO 692 -14.614   0.617 -23.624
  750    HB3  PRO 692           HB3      PRO 692 -13.144  -0.384 -23.412
  751    HG2  PRO 692           HG2      PRO 692 -13.654   2.354 -22.181
  752    HG3  PRO 692           HG3      PRO 692 -13.346   0.806 -21.292
  753    HD2  PRO 692           HD2      PRO 692 -11.322   2.405 -21.790
  754    HD3  PRO 692           HD3      PRO 692 -11.125   0.691 -22.250
  755    H    GLU 693           H        GLU 693 -14.062   1.512 -26.799
  756    HA   GLU 693           HA       GLU 693 -14.516   4.267 -27.082
  757    HB2  GLU 693           HB2      GLU 693 -14.752   2.553 -28.867
  758    HB3  GLU 693           HB3      GLU 693 -16.235   1.954 -28.093
  759    HG2  GLU 693           HG2      GLU 693 -17.248   4.232 -28.344
  760    HG3  GLU 693           HG3      GLU 693 -15.796   4.772 -29.188
  761    H    ALA 694           H        ALA 694 -16.417   1.841 -25.308
  762    HA   ALA 694           HA       ALA 694 -18.760   3.350 -24.881
  763    HB1  ALA 694           HB1      ALA 694 -19.092   1.744 -23.019
  764    HB2  ALA 694           HB2      ALA 694 -18.518   0.951 -24.503
  765    HB3  ALA 694           HB3      ALA 694 -17.373   1.253 -23.155
  766    H    VAL 695           H        VAL 695 -15.782   3.133 -22.823
  767    HA   VAL 695           HA       VAL 695 -16.947   5.011 -20.891
  768    HB   VAL 695           HB       VAL 695 -14.038   4.199 -21.124
  769   HG11  VAL 695          HG11      VAL 695 -14.201   6.124 -19.701
  770   HG12  VAL 695          HG12      VAL 695 -15.721   5.549 -18.983
  771   HG13  VAL 695          HG13      VAL 695 -14.216   4.738 -18.574
  772   HG21  VAL 695          HG21      VAL 695 -14.452   2.515 -19.426
  773   HG22  VAL 695          HG22      VAL 695 -16.163   2.997 -19.284
  774   HG23  VAL 695          HG23      VAL 695 -15.580   2.182 -20.742
  775    H    GLN 696           H        GLN 696 -14.854   5.211 -23.820
  776    HA   GLN 696           HA       GLN 696 -14.265   7.952 -23.474
  777    HB2  GLN 696           HB2      GLN 696 -14.772   6.450 -26.078
  778    HB3  GLN 696           HB3      GLN 696 -14.169   8.087 -25.989
  779    HG2  GLN 696           HG2      GLN 696 -12.108   7.342 -24.891
  780    HG3  GLN 696           HG3      GLN 696 -12.728   5.701 -24.813
  781   HE21  GLN 696          HE22      GLN 696 -11.745   4.409 -26.368
  782   HE22  GLN 696          HE21      GLN 696 -11.538   4.873 -28.039
  783    H    LYS 697           H        LYS 697 -17.134   6.294 -24.832
  784    HA   LYS 697           HA       LYS 697 -18.646   8.464 -25.729
  785    HB2  LYS 697           HB2      LYS 697 -19.051   5.707 -25.376
  786    HB3  LYS 697           HB3      LYS 697 -20.180   6.392 -24.235
  787    HG2  LYS 697           HG2      LYS 697 -21.577   6.379 -25.972
  788    HG3  LYS 697           HG3      LYS 697 -20.817   7.900 -26.424
  789    HD2  LYS 697           HD2      LYS 697 -20.029   5.112 -27.437
  790    HD3  LYS 697           HD3      LYS 697 -21.079   6.251 -28.284
  791    HE2  LYS 697           HE2      LYS 697 -19.090   7.918 -28.167
  792    HE3  LYS 697           HE3      LYS 697 -18.091   6.519 -27.729
  793    HZ1  LYS 697           HZ1      LYS 697 -19.709   6.778 -30.229
  794    HZ2  LYS 697           HZ2      LYS 697 -18.094   6.961 -30.141
  795    HZ3  LYS 697           HZ3      LYS 697 -18.761   5.490 -29.879
  796    H    GLU 698           H        GLU 698 -18.422   7.120 -22.423
  797    HA   GLU 698           HA       GLU 698 -20.253   8.896 -21.157
  798    HB2  GLU 698           HB2      GLU 698 -18.389   6.976 -20.153
  799    HB3  GLU 698           HB3      GLU 698 -17.827   8.502 -19.476
  800    HG2  GLU 698           HG2      GLU 698 -19.295   7.989 -17.862
  801    HG3  GLU 698           HG3      GLU 698 -20.377   8.902 -18.889
  802    H    LEU 699           H        LEU 699 -16.780   9.092 -21.608
  803    HA   LEU 699           HA       LEU 699 -16.269  11.521 -20.276
  804    HB2  LEU 699           HB2      LEU 699 -14.889   9.765 -22.303
  805    HB3  LEU 699           HB3      LEU 699 -14.220  11.328 -22.032
  806    HG   LEU 699           HG       LEU 699 -13.526  10.852 -19.880
  807   HD11  LEU 699          HD11      LEU 699 -15.465   8.528 -19.633
  808   HD12  LEU 699          HD12      LEU 699 -14.247   9.004 -18.443
  809   HD13  LEU 699          HD13      LEU 699 -15.567  10.102 -18.793
  810   HD21  LEU 699          HD21      LEU 699 -13.507   8.160 -21.321
  811   HD22  LEU 699          HD22      LEU 699 -12.353   9.497 -21.578
  812   HD23  LEU 699          HD23      LEU 699 -12.411   8.636 -20.035
  813    H    LEU 700           H        LEU 700 -16.347  11.037 -23.858
  814    HA   LEU 700           HA       LEU 700 -16.101  13.794 -24.383
  815    HB2  LEU 700           HB2      LEU 700 -16.698  13.301 -26.678
  816    HB3  LEU 700           HB3      LEU 700 -15.521  12.170 -26.022
  817    HG   LEU 700           HG       LEU 700 -17.862  10.843 -25.495
  818   HD11  LEU 700          HD11      LEU 700 -19.314  10.884 -27.441
  819   HD12  LEU 700          HD12      LEU 700 -19.234  12.508 -26.748
  820   HD13  LEU 700          HD13      LEU 700 -18.309  12.139 -28.211
  821   HD21  LEU 700          HD21      LEU 700 -15.819   9.916 -26.538
  822   HD22  LEU 700          HD22      LEU 700 -17.278   9.364 -27.347
  823   HD23  LEU 700          HD23      LEU 700 -16.276  10.648 -28.091
  824    H    ALA 701           H        ALA 701 -19.076  11.843 -23.917
  825    HA   ALA 701           HA       ALA 701 -20.797  13.889 -24.972
  826    HB1  ALA 701           HB1      ALA 701 -22.591  12.541 -23.947
  827    HB2  ALA 701           HB2      ALA 701 -21.433  11.512 -24.822
  828    HB3  ALA 701           HB3      ALA 701 -21.386  11.591 -23.049
  829    H    GLU 702           H        GLU 702 -19.813  12.995 -21.601
  830    HA   GLU 702           HA       GLU 702 -21.245  15.194 -20.379
  831    HB2  GLU 702           HB2      GLU 702 -18.867  13.490 -19.562
  832    HB3  GLU 702           HB3      GLU 702 -19.599  14.701 -18.507
  833    HG2  GLU 702           HG2      GLU 702 -21.043  12.281 -19.561
  834    HG3  GLU 702           HG3      GLU 702 -20.190  12.390 -18.014
  835    H    TRP 703           H        TRP 703 -17.894  14.780 -21.617
  836    HA   TRP 703           HA       TRP 703 -16.850  17.086 -20.480
  837    HB2  TRP 703           HB2      TRP 703 -16.125  15.717 -23.094
  838    HB3  TRP 703           HB3      TRP 703 -15.194  17.011 -22.390
  839    HD1  TRP 703           HD1      TRP 703 -15.524  15.275 -19.322
  840    HE1  TRP 703           HE1      TRP 703 -13.891  13.361 -18.983
  841    HE3  TRP 703           HE3      TRP 703 -13.960  14.595 -24.136
  842    HZ2  TRP 703           HZ2      TRP 703 -11.652  12.188 -20.437
  843    HZ3  TRP 703           HZ3      TRP 703 -12.104  13.037 -24.631
  844    HH2  TRP 703           HH2      TRP 703 -10.957  11.831 -22.785
  845    H    LYS 704           H        LYS 704 -18.520  16.676 -23.660
  846    HA   LYS 704           HA       LYS 704 -18.271  19.540 -24.211
  847    HB2  LYS 704           HB2      LYS 704 -19.224  19.105 -26.311
  848    HB3  LYS 704           HB3      LYS 704 -18.136  17.761 -25.957
  849    HG2  LYS 704           HG2      LYS 704 -20.235  16.473 -25.187
  850    HG3  LYS 704           HG3      LYS 704 -21.180  17.785 -25.901
  851    HD2  LYS 704           HD2      LYS 704 -20.112  17.349 -28.118
  852    HD3  LYS 704           HD3      LYS 704 -19.071  16.128 -27.375
  853    HE2  LYS 704           HE2      LYS 704 -20.731  14.862 -28.387
  854    HE3  LYS 704           HE3      LYS 704 -21.152  14.873 -26.673
  855    HZ1  LYS 704           HZ1      LYS 704 -23.090  15.266 -28.111
  856    HZ2  LYS 704           HZ2      LYS 704 -22.850  16.579 -27.176
  857    HZ3  LYS 704           HZ3      LYS 704 -22.408  16.598 -28.760
  858    H    ARG 705           H        ARG 705 -20.679  17.468 -22.664
  859    HA   ARG 705           HA       ARG 705 -22.900  19.283 -22.962
  860    HB2  ARG 705           HB2      ARG 705 -22.260  16.888 -21.262
  861    HB3  ARG 705           HB3      ARG 705 -23.461  18.000 -20.626
  862    HG2  ARG 705           HG2      ARG 705 -24.931  17.735 -22.405
  863    HG3  ARG 705           HG3      ARG 705 -23.701  17.101 -23.499
  864    HD2  ARG 705           HD2      ARG 705 -25.416  15.397 -22.641
  865    HD3  ARG 705           HD3      ARG 705 -23.715  14.967 -22.561
  866    HE   ARG 705           HE       ARG 705 -23.776  14.846 -20.296
  867   HH11  ARG 705          HH11      ARG 705 -26.776  16.555 -21.220
  868   HH12  ARG 705          HH12      ARG 705 -27.408  16.526 -19.610
  869   HH21  ARG 705          HH21      ARG 705 -24.508  14.829 -18.330
  870   HH22  ARG 705          HH22      ARG 705 -26.060  15.513 -17.852
  871    H    THR 706           H        THR 706 -20.357  18.922 -20.357
  872    HA   THR 706           HA       THR 706 -21.406  21.258 -19.002
  873    HB   THR 706           HB       THR 706 -19.133  21.198 -17.862
  874    HG1  THR 706           HG1      THR 706 -17.698  19.700 -18.435
  875   HG21  THR 706          HG21      THR 706 -21.134  19.995 -16.957
  876   HG22  THR 706          HG22      THR 706 -20.649  18.541 -17.856
  877   HG23  THR 706          HG23      THR 706 -19.609  19.179 -16.563
  878    H    GLY 707           H        GLY 707 -18.638  20.554 -21.163
  879    HA2  GLY 707           HA2      GLY 707 -17.587  21.719 -22.769
  880    HA3  GLY 707           HA3      GLY 707 -19.103  22.594 -23.004
  Start of MODEL   20
    1    H1   MET   1           H1       MET   1   5.213  -1.210  -2.909
    2    H2   MET   1           H2       MET   1   3.674  -1.689  -3.145
    3    H3   MET   1           H3       MET   1   4.862  -2.813  -2.903
    4    HA   MET   1           HA       MET   1   5.964  -2.143  -4.948
    5    HB2  MET   1           HB2      MET   1   4.562  -3.141  -6.535
    6    HB3  MET   1           HB3      MET   1   4.368  -4.062  -5.047
    7    HG2  MET   1           HG2      MET   1   2.130  -2.902  -4.770
    8    HG3  MET   1           HG3      MET   1   2.398  -2.105  -6.331
    9    HE1  MET   1           HE1      MET   1   0.515  -3.195  -8.060
   10    HE2  MET   1           HE2      MET   1  -0.299  -4.664  -7.459
   11    HE3  MET   1           HE3      MET   1  -0.160  -3.240  -6.401
   12    H    GLN   2           H        GLN   2   5.110  -1.278  -7.358
   13    HA   GLN   2           HA       GLN   2   3.824   1.358  -6.949
   14    HB2  GLN   2           HB2      GLN   2   5.518   2.491  -8.008
   15    HB3  GLN   2           HB3      GLN   2   6.412   1.354  -7.003
   16    HG2  GLN   2           HG2      GLN   2   5.940   1.022 -10.009
   17    HG3  GLN   2           HG3      GLN   2   7.350   1.754  -9.272
   18   HE21  GLN   2          HE22      GLN   2   9.024   0.331  -9.746
   19   HE22  GLN   2          HE21      GLN   2   8.972  -1.380  -9.388
   20    H    ILE   3           H        ILE   3   2.751   2.200  -8.823
   21    HA   ILE   3           HA       ILE   3   2.704   0.488 -11.289
   22    HB   ILE   3           HB       ILE   3   0.203   0.665 -11.361
   23   HG12  ILE   3          HG12      ILE   3   0.023   0.639  -8.399
   24   HG13  ILE   3          HG13      ILE   3   0.408   2.225  -9.067
   25   HG21  ILE   3          HG21      ILE   3  -0.177  -1.399 -10.089
   26   HG22  ILE   3          HG22      ILE   3   1.423  -1.478 -10.843
   27   HG23  ILE   3          HG23      ILE   3   1.272  -1.139  -9.108
   28   HD11  ILE   3          HD11      ILE   3  -2.024   1.825  -8.777
   29   HD12  ILE   3          HD12      ILE   3  -1.526   2.244 -10.437
   30   HD13  ILE   3          HD13      ILE   3  -1.929   0.551 -10.018
   31    H    PHE   4           H        PHE   4   1.916   1.530 -13.091
   32    HA   PHE   4           HA       PHE   4   2.612   4.424 -12.989
   33    HB2  PHE   4           HB2      PHE   4   2.668   2.725 -15.472
   34    HB3  PHE   4           HB3      PHE   4   3.573   4.176 -15.043
   35    HD1  PHE   4           HD2      PHE   4   4.975   3.779 -12.733
   36    HD2  PHE   4           HD1      PHE   4   4.018   0.802 -15.669
   37    HE1  PHE   4           HE2      PHE   4   6.831   2.367 -11.898
   38    HE2  PHE   4           HE1      PHE   4   5.986  -0.530 -14.925
   39    HZ   PHE   4           HZ       PHE   4   7.393   0.234 -13.056
   40    H    VAL   5           H        VAL   5   0.664   5.542 -12.854
   41    HA   VAL   5           HA       VAL   5  -1.608   4.588 -14.531
   42    HB   VAL   5           HB       VAL   5  -1.615   6.877 -12.551
   43   HG11  VAL   5          HG11      VAL   5  -3.387   6.972 -14.250
   44   HG12  VAL   5          HG12      VAL   5  -3.887   5.313 -13.890
   45   HG13  VAL   5          HG13      VAL   5  -4.052   6.579 -12.653
   46   HG21  VAL   5          HG21      VAL   5  -2.891   5.082 -11.166
   47   HG22  VAL   5          HG22      VAL   5  -2.110   3.899 -12.215
   48   HG23  VAL   5          HG23      VAL   5  -1.113   4.974 -11.240
   49    H    LYS   6           H        LYS   6  -1.300   5.092 -16.662
   50    HA   LYS   6           HA       LYS   6  -0.056   7.586 -17.525
   51    HB2  LYS   6           HB2      LYS   6  -0.263   5.328 -18.845
   52    HB3  LYS   6           HB3      LYS   6  -1.916   5.855 -19.185
   53    HG2  LYS   6           HG2      LYS   6  -0.821   8.105 -19.987
   54    HG3  LYS   6           HG3      LYS   6   0.718   7.247 -19.855
   55    HD2  LYS   6           HD2      LYS   6  -0.488   5.441 -21.349
   56    HD3  LYS   6           HD3      LYS   6  -1.600   6.791 -21.764
   57    HE2  LYS   6           HE2      LYS   6   0.174   8.109 -22.671
   58    HE3  LYS   6           HE3      LYS   6   1.432   7.076 -21.978
   59    HZ1  LYS   6           HZ1      LYS   6   0.868   6.799 -24.469
   60    HZ2  LYS   6           HZ2      LYS   6   1.060   5.436 -23.575
   61    HZ3  LYS   6           HZ3      LYS   6  -0.439   5.928 -23.974
   62    H    THR   7           H        THR   7  -1.122   9.586 -17.470
   63    HA   THR   7           HA       THR   7  -4.020   9.518 -17.166
   64    HB   THR   7           HB       THR   7  -3.916  11.843 -17.168
   65    HG1  THR   7           HG1      THR   7  -1.665  12.772 -17.201
   66   HG21  THR   7          HG21      THR   7  -1.775  10.730 -15.342
   67   HG22  THR   7          HG22      THR   7  -2.669  12.257 -15.113
   68   HG23  THR   7          HG23      THR   7  -3.535  10.717 -15.061
   69    H    LEU   8           H        LEU   8  -5.373  10.794 -18.529
   70    HA   LEU   8           HA       LEU   8  -4.997   9.898 -21.224
   71    HB2  LEU   8           HB2      LEU   8  -6.957  11.949 -20.226
   72    HB3  LEU   8           HB3      LEU   8  -6.815  11.389 -21.898
   73    HG   LEU   8           HG       LEU   8  -7.838   9.907 -19.515
   74   HD11  LEU   8          HD11      LEU   8  -8.935  10.397 -22.270
   75   HD12  LEU   8          HD12      LEU   8  -9.705   9.366 -21.031
   76   HD13  LEU   8          HD13      LEU   8  -9.503  11.074 -20.715
   77   HD21  LEU   8          HD21      LEU   8  -7.925   7.848 -21.029
   78   HD22  LEU   8          HD22      LEU   8  -6.871   8.712 -22.151
   79   HD23  LEU   8          HD23      LEU   8  -6.322   8.275 -20.485
   80    H    THR   9           H        THR   9  -3.504  12.638 -19.644
   81    HA   THR   9           HA       THR   9  -3.378  14.145 -22.097
   82    HB   THR   9           HB       THR   9  -3.424  15.291 -20.012
   83    HG1  THR   9           HG1      THR   9  -2.507  16.813 -20.911
   84   HG21  THR   9          HG21      THR   9  -2.278  14.291 -18.361
   85   HG22  THR   9          HG22      THR   9  -0.822  13.964 -19.349
   86   HG23  THR   9          HG23      THR   9  -1.184  15.603 -18.764
   87    H    GLY  10           H        GLY  10  -1.857  11.325 -20.993
   88    HA2  GLY  10           HA2      GLY  10  -0.092  10.147 -21.951
   89    HA3  GLY  10           HA3      GLY  10   0.407  11.598 -22.845
   90    H    LYS  11           H        LYS  11  -0.246  11.377 -19.247
   91    HA   LYS  11           HA       LYS  11   2.739  11.621 -18.867
   92    HB2  LYS  11           HB2      LYS  11   1.762  13.747 -18.348
   93    HB3  LYS  11           HB3      LYS  11   0.496  13.008 -17.371
   94    HG2  LYS  11           HG2      LYS  11   3.366  12.428 -16.655
   95    HG3  LYS  11           HG3      LYS  11   2.766  14.055 -16.331
   96    HD2  LYS  11           HD2      LYS  11   1.674  11.454 -15.195
   97    HD3  LYS  11           HD3      LYS  11   2.653  12.624 -14.343
   98    HE2  LYS  11           HE2      LYS  11  -0.144  13.191 -15.468
   99    HE3  LYS  11           HE3      LYS  11   0.196  12.629 -13.842
  100    HZ1  LYS  11           HZ1      LYS  11   1.072  15.249 -14.929
  101    HZ2  LYS  11           HZ2      LYS  11  -0.094  14.928 -13.792
  102    HZ3  LYS  11           HZ3      LYS  11   1.471  14.654 -13.437
  103    H    THR  12           H        THR  12   3.468   9.757 -17.907
  104    HA   THR  12           HA       THR  12   1.469   8.156 -16.451
  105    HB   THR  12           HB       THR  12   4.295   7.277 -16.716
  106    HG1  THR  12           HG1      THR  12   4.104   6.810 -18.894
  107   HG21  THR  12          HG21      THR  12   2.261   5.986 -15.793
  108   HG22  THR  12          HG22      THR  12   1.666   5.908 -17.480
  109   HG23  THR  12          HG23      THR  12   3.204   5.139 -17.063
  110    H    ILE  13           H        ILE  13   1.071   8.422 -14.461
  111    HA   ILE  13           HA       ILE  13   3.172   9.585 -12.713
  112    HB   ILE  13           HB       ILE  13   1.540  10.966 -12.391
  113   HG12  ILE  13          HG12      ILE  13   1.808   9.330 -10.217
  114   HG13  ILE  13          HG13      ILE  13   0.946  10.855 -10.247
  115   HG21  ILE  13          HG21      ILE  13  -0.164  10.282 -13.890
  116   HG22  ILE  13          HG22      ILE  13  -0.694   8.983 -12.791
  117   HG23  ILE  13          HG23      ILE  13  -0.877  10.712 -12.317
  118   HD11  ILE  13          HD11      ILE  13  -0.438   8.213 -10.632
  119   HD12  ILE  13          HD12      ILE  13  -0.224   8.994  -9.052
  120   HD13  ILE  13          HD13      ILE  13  -1.177   9.820 -10.270
  121    H    THR  14           H        THR  14   4.351   8.082 -11.807
  122    HA   THR  14           HA       THR  14   3.343   5.424 -11.267
  123    HB   THR  14           HB       THR  14   5.831   6.804 -10.286
  124    HG1  THR  14           HG1      THR  14   6.826   6.155 -12.165
  125   HG21  THR  14          HG21      THR  14   6.719   4.329 -10.429
  126   HG22  THR  14          HG22      THR  14   5.580   4.681  -9.126
  127   HG23  THR  14          HG23      THR  14   5.026   3.825 -10.579
  128    H    LEU  15           H        LEU  15   2.730   4.650  -9.223
  129    HA   LEU  15           HA       LEU  15   2.924   6.440  -6.904
  130    HB2  LEU  15           HB2      LEU  15   0.566   6.226  -6.370
  131    HB3  LEU  15           HB3      LEU  15   0.780   6.950  -7.970
  132    HG   LEU  15           HG       LEU  15   0.349   4.468  -8.820
  133   HD11  LEU  15          HD11      LEU  15  -1.125   4.592  -6.138
  134   HD12  LEU  15          HD12      LEU  15  -1.353   3.353  -7.378
  135   HD13  LEU  15          HD13      LEU  15   0.198   3.465  -6.542
  136   HD21  LEU  15          HD21      LEU  15  -2.065   4.997  -8.900
  137   HD22  LEU  15          HD22      LEU  15  -1.818   6.297  -7.708
  138   HD23  LEU  15          HD23      LEU  15  -1.059   6.401  -9.321
  139    H    GLU  16           H        GLU  16   2.680   5.285  -4.883
  140    HA   GLU  16           HA       GLU  16   3.422   2.460  -5.277
  141    HB2  GLU  16           HB2      GLU  16   4.352   4.570  -3.319
  142    HB3  GLU  16           HB3      GLU  16   4.492   2.845  -2.925
  143    HG2  GLU  16           HG2      GLU  16   5.709   2.423  -5.000
  144    HG3  GLU  16           HG3      GLU  16   5.607   4.129  -5.447
  145    H    VAL  17           H        VAL  17   2.282   0.988  -4.513
  146    HA   VAL  17           HA       VAL  17   0.176   1.247  -2.444
  147    HB   VAL  17           HB       VAL  17  -1.472   0.292  -4.207
  148   HG11  VAL  17          HG11      VAL  17  -2.152   2.482  -4.964
  149   HG12  VAL  17          HG12      VAL  17  -1.696   2.484  -3.257
  150   HG13  VAL  17          HG13      VAL  17  -0.586   3.154  -4.452
  151   HG21  VAL  17          HG21      VAL  17  -1.054   0.984  -6.520
  152   HG22  VAL  17          HG22      VAL  17   0.633   1.329  -6.155
  153   HG23  VAL  17          HG23      VAL  17   0.031  -0.326  -5.984
  154    H    GLU  18           H        GLU  18  -1.153  -1.074  -2.988
  155    HA   GLU  18           HA       GLU  18   0.887  -3.241  -2.956
  156    HB2  GLU  18           HB2      GLU  18  -1.566  -3.067  -1.158
  157    HB3  GLU  18           HB3      GLU  18  -0.381  -4.365  -1.187
  158    HG2  GLU  18           HG2      GLU  18  -0.004  -1.510  -0.240
  159    HG3  GLU  18           HG3      GLU  18  -0.016  -2.964   0.746
  160    HA   PRO  19           HA       PRO  19  -2.003  -5.018  -5.915
  161    HB2  PRO  19           HB2      PRO  19  -1.923  -7.580  -4.383
  162    HB3  PRO  19           HB3      PRO  19  -1.612  -7.274  -6.127
  163    HG2  PRO  19           HG2      PRO  19   0.392  -7.782  -4.313
  164    HG3  PRO  19           HG3      PRO  19   0.607  -6.696  -5.712
  165    HD2  PRO  19           HD2      PRO  19   0.154  -5.994  -2.821
  166    HD3  PRO  19           HD3      PRO  19   1.127  -5.149  -4.064
  167    H    SER  20           H        SER  20  -2.586  -5.310  -2.425
  168    HA   SER  20           HA       SER  20  -5.453  -5.932  -2.726
  169    HB2  SER  20           HB2      SER  20  -5.157  -5.998  -0.144
  170    HB3  SER  20           HB3      SER  20  -4.364  -7.273  -1.083
  171    HG   SER  20           HG       SER  20  -2.948  -6.340   0.495
  172    H    ASP  21           H        ASP  21  -3.677  -3.191  -3.140
  173    HA   ASP  21           HA       ASP  21  -5.168  -1.598  -1.279
  174    HB2  ASP  21           HB2      ASP  21  -2.899  -0.903  -2.124
  175    HB3  ASP  21           HB3      ASP  21  -3.674  -0.567  -3.699
  176    H    THR  22           H        THR  22  -7.015  -0.491  -1.688
  177    HA   THR  22           HA       THR  22  -8.613  -1.472  -3.824
  178    HB   THR  22           HB       THR  22 -10.342   0.195  -2.902
  179    HG1  THR  22           HG1      THR  22  -9.808   0.865  -0.718
  180   HG21  THR  22          HG21      THR  22 -10.383  -2.181  -2.483
  181   HG22  THR  22          HG22      THR  22  -9.218  -2.009  -1.131
  182   HG23  THR  22          HG23      THR  22 -10.849  -1.292  -1.022
  183    H    ILE  23           H        ILE  23  -9.504  -0.482  -5.513
  184    HA   ILE  23           HA       ILE  23  -8.209   1.557  -6.930
  185    HB   ILE  23           HB       ILE  23 -11.132   0.822  -6.927
  186   HG12  ILE  23          HG12      ILE  23 -10.263  -1.213  -7.430
  187   HG13  ILE  23          HG13      ILE  23 -10.252  -0.520  -9.042
  188   HG21  ILE  23          HG21      ILE  23 -10.689   2.904  -8.241
  189   HG22  ILE  23          HG22      ILE  23  -9.535   1.978  -9.231
  190   HG23  ILE  23          HG23      ILE  23 -11.263   1.563  -9.229
  191   HD11  ILE  23          HD11      ILE  23  -7.840  -0.863  -7.249
  192   HD12  ILE  23          HD12      ILE  23  -8.247  -1.753  -8.696
  193   HD13  ILE  23          HD13      ILE  23  -7.844  -0.020  -8.822
  194    H    GLU  24           H        GLU  24 -10.803   1.977  -4.434
  195    HA   GLU  24           HA       GLU  24 -11.227   4.737  -4.743
  196    HB2  GLU  24           HB2      GLU  24 -12.431   3.206  -3.162
  197    HB3  GLU  24           HB3      GLU  24 -10.992   3.118  -2.158
  198    HG2  GLU  24           HG2      GLU  24 -11.127   5.547  -1.722
  199    HG3  GLU  24           HG3      GLU  24 -12.526   5.680  -2.787
  200    H    ASN  25           H        ASN  25  -8.663   3.034  -2.899
  201    HA   ASN  25           HA       ASN  25  -7.531   5.540  -1.970
  202    HB2  ASN  25           HB2      ASN  25  -7.527   3.395  -0.650
  203    HB3  ASN  25           HB3      ASN  25  -6.410   2.726  -1.834
  204   HD21  ASN  25          HD22      ASN  25  -4.696   2.465  -0.432
  205   HD22  ASN  25          HD21      ASN  25  -3.903   3.771   0.463
  206    H    VAL  26           H        VAL  26  -6.832   3.258  -4.618
  207    HA   VAL  26           HA       VAL  26  -4.391   4.452  -5.495
  208    HB   VAL  26           HB       VAL  26  -6.670   3.076  -6.923
  209   HG11  VAL  26          HG11      VAL  26  -5.002   2.627  -8.762
  210   HG12  VAL  26          HG12      VAL  26  -5.456   4.344  -8.575
  211   HG13  VAL  26          HG13      VAL  26  -3.894   3.761  -7.952
  212   HG21  VAL  26          HG21      VAL  26  -5.549   1.039  -6.747
  213   HG22  VAL  26          HG22      VAL  26  -3.974   1.804  -6.377
  214   HG23  VAL  26          HG23      VAL  26  -5.259   1.743  -5.172
  215    H    LYS  27           H        LYS  27  -7.821   5.077  -6.707
  216    HA   LYS  27           HA       LYS  27  -7.193   7.390  -8.126
  217    HB2  LYS  27           HB2      LYS  27  -9.643   6.734  -6.380
  218    HB3  LYS  27           HB3      LYS  27  -9.605   8.101  -7.496
  219    HG2  LYS  27           HG2      LYS  27  -9.632   6.734  -9.402
  220    HG3  LYS  27           HG3      LYS  27  -9.303   5.249  -8.482
  221    HD2  LYS  27           HD2      LYS  27 -11.447   5.205  -7.507
  222    HD3  LYS  27           HD3      LYS  27 -11.697   6.944  -7.758
  223    HE2  LYS  27           HE2      LYS  27 -11.648   6.353 -10.292
  224    HE3  LYS  27           HE3      LYS  27 -11.959   4.695  -9.721
  225    HZ1  LYS  27           HZ1      LYS  27 -13.654   7.118  -9.148
  226    HZ2  LYS  27           HZ2      LYS  27 -14.071   5.901 -10.146
  227    HZ3  LYS  27           HZ3      LYS  27 -13.955   5.612  -8.529
  228    H    ALA  28           H        ALA  28  -7.665   7.130  -4.539
  229    HA   ALA  28           HA       ALA  28  -7.664   9.971  -4.112
  230    HB1  ALA  28           HB1      ALA  28  -7.176   9.432  -1.788
  231    HB2  ALA  28           HB2      ALA  28  -8.417   8.319  -2.407
  232    HB3  ALA  28           HB3      ALA  28  -6.730   7.773  -2.219
  233    H    LYS  29           H        LYS  29  -5.008   7.556  -4.429
  234    HA   LYS  29           HA       LYS  29  -2.911   9.496  -3.867
  235    HB2  LYS  29           HB2      LYS  29  -2.884   6.864  -5.399
  236    HB3  LYS  29           HB3      LYS  29  -1.449   7.858  -5.091
  237    HG2  LYS  29           HG2      LYS  29  -1.688   7.684  -2.726
  238    HG3  LYS  29           HG3      LYS  29  -3.305   6.981  -2.855
  239    HD2  LYS  29           HD2      LYS  29  -2.463   4.908  -3.726
  240    HD3  LYS  29           HD3      LYS  29  -0.809   5.534  -3.851
  241    HE2  LYS  29           HE2      LYS  29  -2.220   5.680  -1.178
  242    HE3  LYS  29           HE3      LYS  29  -1.719   4.081  -1.730
  243    HZ1  LYS  29           HZ1      LYS  29   0.144   6.389  -1.411
  244    HZ2  LYS  29           HZ2      LYS  29  -0.008   5.146  -0.367
  245    HZ3  LYS  29           HZ3      LYS  29   0.567   4.850  -1.864
  246    H    ILE  30           H        ILE  30  -4.724   8.563  -6.815
  247    HA   ILE  30           HA       ILE  30  -3.208  10.314  -8.531
  248    HB   ILE  30           HB       ILE  30  -6.156   9.760  -8.877
  249   HG12  ILE  30          HG12      ILE  30  -5.290   7.575  -8.740
  250   HG13  ILE  30          HG13      ILE  30  -5.434   7.910 -10.455
  251   HG21  ILE  30          HG21      ILE  30  -5.306  11.490 -10.362
  252   HG22  ILE  30          HG22      ILE  30  -3.922  10.467 -10.823
  253   HG23  ILE  30          HG23      ILE  30  -5.573  10.021 -11.294
  254   HD11  ILE  30          HD11      ILE  30  -3.465   6.719  -9.785
  255   HD12  ILE  30          HD12      ILE  30  -2.987   8.274 -10.549
  256   HD13  ILE  30          HD13      ILE  30  -2.893   8.063  -8.783
  257    H    GLN  31           H        GLN  31  -6.042  11.008  -6.492
  258    HA   GLN  31           HA       GLN  31  -6.299  13.749  -7.103
  259    HB2  GLN  31           HB2      GLN  31  -7.843  12.361  -5.651
  260    HB3  GLN  31           HB3      GLN  31  -6.652  12.560  -4.359
  261    HG2  GLN  31           HG2      GLN  31  -7.029  15.189  -5.042
  262    HG3  GLN  31           HG3      GLN  31  -8.613  14.544  -5.444
  263   HE21  GLN  31          HE22      GLN  31  -9.935  13.620  -3.674
  264   HE22  GLN  31          HE21      GLN  31  -9.501  13.902  -2.007
  265    H    ASP  32           H        ASP  32  -4.095  12.050  -4.872
  266    HA   ASP  32           HA       ASP  32  -2.897  14.422  -3.822
  267    HB2  ASP  32           HB2      ASP  32  -2.762  12.236  -2.711
  268    HB3  ASP  32           HB3      ASP  32  -1.721  11.634  -3.997
  269    H    LYS  33           H        LYS  33  -2.194  12.487  -6.803
  270    HA   LYS  33           HA       LYS  33   0.239  14.084  -7.239
  271    HB2  LYS  33           HB2      LYS  33  -0.687  11.661  -8.679
  272    HB3  LYS  33           HB3      LYS  33   0.865  12.537  -8.827
  273    HG2  LYS  33           HG2      LYS  33   0.906  12.240  -6.163
  274    HG3  LYS  33           HG3      LYS  33  -0.230  10.947  -6.490
  275    HD2  LYS  33           HD2      LYS  33   1.966  10.115  -6.158
  276    HD3  LYS  33           HD3      LYS  33   1.443   9.759  -7.802
  277    HE2  LYS  33           HE2      LYS  33   2.869  11.594  -8.673
  278    HE3  LYS  33           HE3      LYS  33   3.299  12.058  -7.023
  279    HZ1  LYS  33           HZ1      LYS  33   5.014  10.689  -8.090
  280    HZ2  LYS  33           HZ2      LYS  33   4.447   9.968  -6.747
  281    HZ3  LYS  33           HZ3      LYS  33   3.988   9.408  -8.224
  282    H    GLU  34           H        GLU  34  -2.969  13.898  -8.453
  283    HA   GLU  34           HA       GLU  34  -2.365  15.671 -10.758
  284    HB2  GLU  34           HB2      GLU  34  -4.573  13.601 -10.306
  285    HB3  GLU  34           HB3      GLU  34  -4.372  14.578 -11.763
  286    HG2  GLU  34           HG2      GLU  34  -2.567  12.384 -10.722
  287    HG3  GLU  34           HG3      GLU  34  -3.440  12.437 -12.256
  288    H    GLY  35           H        GLY  35  -4.629  15.140  -8.061
  289    HA2  GLY  35           HA2      GLY  35  -5.548  16.988  -6.881
  290    HA3  GLY  35           HA3      GLY  35  -5.596  17.937  -8.364
  291    H    ILE  36           H        ILE  36  -6.715  14.729  -8.968
  292    HA   ILE  36           HA       ILE  36  -9.395  15.885  -9.365
  293    HB   ILE  36           HB       ILE  36  -8.102  13.301 -10.280
  294   HG12  ILE  36          HG12      ILE  36  -8.612  15.916 -11.820
  295   HG13  ILE  36          HG13      ILE  36  -7.036  15.438 -11.192
  296   HG21  ILE  36          HG21      ILE  36  -9.987  13.114 -11.851
  297   HG22  ILE  36          HG22      ILE  36 -10.632  13.226 -10.220
  298   HG23  ILE  36          HG23      ILE  36 -10.656  14.661 -11.269
  299   HD11  ILE  36          HD11      ILE  36  -8.607  13.992 -13.321
  300   HD12  ILE  36          HD12      ILE  36  -7.076  14.870 -13.483
  301   HD13  ILE  36          HD13      ILE  36  -7.124  13.366 -12.526
  302    HA   PRO  37           HA       PRO  37 -10.696  13.477  -5.773
  303    HB2  PRO  37           HB2      PRO  37 -13.479  13.917  -6.072
  304    HB3  PRO  37           HB3      PRO  37 -12.308  14.906  -5.133
  305    HG2  PRO  37           HG2      PRO  37 -13.626  15.546  -7.682
  306    HG3  PRO  37           HG3      PRO  37 -12.700  16.596  -6.570
  307    HD2  PRO  37           HD2      PRO  37 -11.808  15.391  -9.076
  308    HD3  PRO  37           HD3      PRO  37 -10.929  16.505  -7.991
  309    HA   PRO  38           HA       PRO  38 -11.415   9.644  -7.629
  310    HB2  PRO  38           HB2      PRO  38 -12.769   8.194  -5.712
  311    HB3  PRO  38           HB3      PRO  38 -11.002   8.524  -5.696
  312    HG2  PRO  38           HG2      PRO  38 -13.190   9.929  -4.174
  313    HG3  PRO  38           HG3      PRO  38 -11.553   9.464  -3.605
  314    HD2  PRO  38           HD2      PRO  38 -12.129  12.002  -4.393
  315    HD3  PRO  38           HD3      PRO  38 -10.542  11.250  -4.769
  316    H    ASP  39           H        ASP  39 -14.406  10.977  -6.228
  317    HA   ASP  39           HA       ASP  39 -16.061   9.120  -7.648
  318    HB2  ASP  39           HB2      ASP  39 -16.905  10.406  -5.730
  319    HB3  ASP  39           HB3      ASP  39 -16.629  11.925  -6.573
  320    H    GLN  40           H        GLN  40 -14.378  11.988  -8.539
  321    HA   GLN  40           HA       GLN  40 -15.966  12.477 -11.002
  322    HB2  GLN  40           HB2      GLN  40 -15.477  14.376  -9.699
  323    HB3  GLN  40           HB3      GLN  40 -13.799  13.918  -9.434
  324    HG2  GLN  40           HG2      GLN  40 -13.118  14.547 -11.567
  325    HG3  GLN  40           HG3      GLN  40 -14.761  14.616 -12.199
  326   HE21  GLN  40          HE22      GLN  40 -16.252  16.332 -11.202
  327   HE22  GLN  40          HE21      GLN  40 -15.511  17.865 -10.766
  328    H    GLN  41           H        GLN  41 -13.541  10.332 -10.144
  329    HA   GLN  41           HA       GLN  41 -11.879  10.682 -12.579
  330    HB2  GLN  41           HB2      GLN  41 -11.177  10.933 -10.053
  331    HB3  GLN  41           HB3      GLN  41 -11.382   9.186  -9.946
  332    HG2  GLN  41           HG2      GLN  41  -9.683   9.024 -11.829
  333    HG3  GLN  41           HG3      GLN  41  -9.458  10.785 -11.635
  334   HE21  GLN  41          HE22      GLN  41  -9.201  11.283  -8.902
  335   HE22  GLN  41          HE21      GLN  41  -8.051  10.193  -8.190
  336    H    ARG  42           H        ARG  42 -11.705   8.793 -13.983
  337    HA   ARG  42           HA       ARG  42 -12.877   6.267 -12.824
  338    HB2  ARG  42           HB2      ARG  42 -13.674   7.491 -15.250
  339    HB3  ARG  42           HB3      ARG  42 -12.586   6.121 -15.707
  340    HG2  ARG  42           HG2      ARG  42 -13.857   4.513 -14.908
  341    HG3  ARG  42           HG3      ARG  42 -14.674   5.550 -13.702
  342    HD2  ARG  42           HD2      ARG  42 -15.994   6.604 -15.549
  343    HD3  ARG  42           HD3      ARG  42 -15.183   5.543 -16.699
  344    HE   ARG  42           HE       ARG  42 -16.377   4.059 -14.482
  345   HH11  ARG  42          HH21      ARG  42 -17.566   5.853 -17.302
  346   HH12  ARG  42          HH22      ARG  42 -18.686   4.615 -17.782
  347   HH21  ARG  42          HH11      ARG  42 -18.045   2.543 -14.976
  348   HH22  ARG  42          HH12      ARG  42 -19.066   2.797 -16.335
  349    H    LEU  43           H        LEU  43 -11.692   4.342 -13.383
  350    HA   LEU  43           HA       LEU  43  -8.838   4.883 -14.082
  351    HB2  LEU  43           HB2      LEU  43  -9.889   4.047 -11.550
  352    HB3  LEU  43           HB3      LEU  43  -9.381   2.561 -12.340
  353    HG   LEU  43           HG       LEU  43  -7.125   3.486 -12.668
  354   HD11  LEU  43          HD11      LEU  43  -7.556   5.934 -12.747
  355   HD12  LEU  43          HD12      LEU  43  -8.220   5.899 -11.111
  356   HD13  LEU  43          HD13      LEU  43  -6.491   5.580 -11.382
  357   HD21  LEU  43          HD21      LEU  43  -6.490   3.360 -10.304
  358   HD22  LEU  43          HD22      LEU  43  -8.132   3.706  -9.776
  359   HD23  LEU  43          HD23      LEU  43  -7.763   2.173 -10.611
  360    H    ILE  44           H        ILE  44  -8.303   3.760 -15.760
  361    HA   ILE  44           HA       ILE  44  -9.954   1.425 -16.631
  362    HB   ILE  44           HB       ILE  44  -8.543   3.527 -18.311
  363   HG12  ILE  44          HG12      ILE  44 -11.415   2.731 -17.755
  364   HG13  ILE  44          HG13      ILE  44 -10.641   4.233 -17.257
  365   HG21  ILE  44          HG21      ILE  44  -9.167   2.529 -20.323
  366   HG22  ILE  44          HG22      ILE  44  -8.381   1.247 -19.432
  367   HG23  ILE  44          HG23      ILE  44 -10.176   1.302 -19.539
  368   HD11  ILE  44          HD11      ILE  44 -10.475   4.809 -19.728
  369   HD12  ILE  44          HD12      ILE  44 -11.612   3.449 -19.983
  370   HD13  ILE  44          HD13      ILE  44 -12.062   4.810 -18.929
  371    H    PHE  45           H        PHE  45  -8.905  -0.424 -17.341
  372    HA   PHE  45           HA       PHE  45  -5.945  -0.428 -17.259
  373    HB2  PHE  45           HB2      PHE  45  -6.563  -1.157 -15.013
  374    HB3  PHE  45           HB3      PHE  45  -7.770  -2.279 -15.664
  375    HD1  PHE  45           HD1      PHE  45  -4.137  -1.493 -16.271
  376    HD2  PHE  45           HD2      PHE  45  -7.117  -4.546 -15.668
  377    HE1  PHE  45           HE1      PHE  45  -2.377  -3.228 -16.386
  378    HE2  PHE  45           HE2      PHE  45  -5.337  -6.278 -15.673
  379    HZ   PHE  45           HZ       PHE  45  -2.977  -5.630 -15.982
  380    H    ALA  46           H        ALA  46  -5.462  -1.124 -19.226
  381    HA   ALA  46           HA       ALA  46  -5.491  -2.245 -21.190
  382    HB1  ALA  46           HB1      ALA  46  -5.506  -4.693 -20.891
  383    HB2  ALA  46           HB2      ALA  46  -4.671  -3.894 -19.535
  384    HB3  ALA  46           HB3      ALA  46  -6.336  -4.493 -19.327
  385    H    GLY  47           H        GLY  47  -7.878  -0.888 -20.789
  386    HA2  GLY  47           HA2      GLY  47  -9.657  -0.532 -22.228
  387    HA3  GLY  47           HA3      GLY  47  -9.589  -2.207 -22.787
  388    H    LYS  48           H        LYS  48  -9.627  -2.202 -19.387
  389    HA   LYS  48           HA       LYS  48 -12.607  -2.416 -19.219
  390    HB2  LYS  48           HB2      LYS  48 -10.423  -3.498 -17.339
  391    HB3  LYS  48           HB3      LYS  48 -12.171  -3.638 -17.087
  392    HG2  LYS  48           HG2      LYS  48 -12.356  -4.902 -19.210
  393    HG3  LYS  48           HG3      LYS  48 -10.583  -4.846 -19.374
  394    HD2  LYS  48           HD2      LYS  48 -10.340  -6.076 -17.241
  395    HD3  LYS  48           HD3      LYS  48 -12.108  -6.136 -17.065
  396    HE2  LYS  48           HE2      LYS  48 -12.279  -7.369 -19.224
  397    HE3  LYS  48           HE3      LYS  48 -10.522  -7.331 -19.384
  398    HZ1  LYS  48           HZ1      LYS  48 -11.284  -9.436 -18.475
  399    HZ2  LYS  48           HZ2      LYS  48 -10.367  -8.682 -17.357
  400    HZ3  LYS  48           HZ3      LYS  48 -12.003  -8.710 -17.208
  401    H    GLN  49           H        GLN  49 -13.428  -1.434 -17.141
  402    HA   GLN  49           HA       GLN  49 -11.569   0.506 -15.953
  403    HB2  GLN  49           HB2      GLN  49 -12.928   2.318 -16.129
  404    HB3  GLN  49           HB3      GLN  49 -13.285   1.499 -17.652
  405    HG2  GLN  49           HG2      GLN  49 -14.978   1.684 -15.160
  406    HG3  GLN  49           HG3      GLN  49 -15.242   2.445 -16.733
  407   HE21  GLN  49          HE22      GLN  49 -15.196   0.470 -18.652
  408   HE22  GLN  49          HE21      GLN  49 -16.335  -0.788 -18.257
  409    H    LEU  50           H        LEU  50 -11.984   1.144 -13.869
  410    HA   LEU  50           HA       LEU  50 -12.828  -1.306 -12.404
  411    HB2  LEU  50           HB2      LEU  50 -10.841   0.888 -11.655
  412    HB3  LEU  50           HB3      LEU  50 -11.220  -0.607 -10.806
  413    HG   LEU  50           HG       LEU  50 -10.444  -1.896 -12.832
  414   HD11  LEU  50          HD11      LEU  50  -8.600  -0.855 -14.150
  415   HD12  LEU  50          HD12      LEU  50 -10.195  -0.431 -14.655
  416   HD13  LEU  50          HD13      LEU  50  -9.213   0.729 -13.688
  417   HD21  LEU  50          HD21      LEU  50  -8.070  -1.774 -12.143
  418   HD22  LEU  50          HD22      LEU  50  -8.333  -0.162 -11.427
  419   HD23  LEU  50          HD23      LEU  50  -9.100  -1.606 -10.734
  420    H    GLU  51           H        GLU  51 -13.500  -0.973 -10.074
  421    HA   GLU  51           HA       GLU  51 -14.774   1.630  -9.659
  422    HB2  GLU  51           HB2      GLU  51 -16.798   0.802  -8.824
  423    HB3  GLU  51           HB3      GLU  51 -16.539  -0.007 -10.369
  424    HG2  GLU  51           HG2      GLU  51 -15.723  -2.016  -9.155
  425    HG3  GLU  51           HG3      GLU  51 -16.028  -1.200  -7.612
  426    H    ASP  52           H        ASP  52 -15.149   2.232  -7.498
  427    HA   ASP  52           HA       ASP  52 -12.708   2.403  -6.227
  428    HB2  ASP  52           HB2      ASP  52 -15.558   3.005  -5.390
  429    HB3  ASP  52           HB3      ASP  52 -14.215   3.335  -4.314
  430    H    GLY  53           H        GLY  53 -15.371   0.187  -5.536
  431    HA2  GLY  53           HA2      GLY  53 -14.357  -0.687  -2.989
  432    HA3  GLY  53           HA3      GLY  53 -15.714  -1.362  -3.919
  433    H    ARG  54           H        ARG  54 -12.861  -1.293  -5.831
  434    HA   ARG  54           HA       ARG  54 -12.427  -4.235  -5.387
  435    HB2  ARG  54           HB2      ARG  54 -12.237  -2.422  -7.824
  436    HB3  ARG  54           HB3      ARG  54 -11.852  -4.175  -7.808
  437    HG2  ARG  54           HG2      ARG  54 -14.530  -2.838  -7.379
  438    HG3  ARG  54           HG3      ARG  54 -13.991  -3.680  -8.826
  439    HD2  ARG  54           HD2      ARG  54 -13.910  -5.803  -7.372
  440    HD3  ARG  54           HD3      ARG  54 -14.729  -4.854  -6.128
  441    HE   ARG  54           HE       ARG  54 -16.644  -4.674  -7.456
  442   HH11  ARG  54          HH11      ARG  54 -14.147  -6.553  -9.229
  443   HH12  ARG  54          HH12      ARG  54 -15.211  -6.903 -10.549
  444   HH21  ARG  54          HH21      ARG  54 -17.788  -4.764  -9.378
  445   HH22  ARG  54          HH22      ARG  54 -17.416  -5.967 -10.583
  446    H    THR  55           H        THR  55 -10.119  -4.790  -6.447
  447    HA   THR  55           HA       THR  55  -8.166  -2.769  -5.432
  448    HB   THR  55           HB       THR  55  -6.929  -4.709  -4.559
  449    HG1  THR  55           HG1      THR  55  -8.186  -6.724  -4.333
  450   HG21  THR  55          HG21      THR  55  -8.277  -5.183  -2.557
  451   HG22  THR  55          HG22      THR  55  -8.247  -3.474  -2.995
  452   HG23  THR  55          HG23      THR  55  -9.697  -4.455  -3.345
  453    H    LEU  56           H        LEU  56  -5.966  -3.337  -6.094
  454    HA   LEU  56           HA       LEU  56  -5.859  -3.517  -8.973
  455    HB2  LEU  56           HB2      LEU  56  -3.610  -4.073  -6.974
  456    HB3  LEU  56           HB3      LEU  56  -3.392  -3.684  -8.660
  457    HG   LEU  56           HG       LEU  56  -4.429  -1.869  -6.456
  458   HD11  LEU  56          HD11      LEU  56  -1.974  -1.728  -8.257
  459   HD12  LEU  56          HD12      LEU  56  -2.505  -0.500  -7.074
  460   HD13  LEU  56          HD13      LEU  56  -2.030  -2.099  -6.506
  461   HD21  LEU  56          HD21      LEU  56  -4.433  -0.089  -8.327
  462   HD22  LEU  56          HD22      LEU  56  -4.315  -1.412  -9.487
  463   HD23  LEU  56          HD23      LEU  56  -5.735  -1.286  -8.412
  464    H    SER  57           H        SER  57  -5.183  -5.955  -6.473
  465    HA   SER  57           HA       SER  57  -4.694  -8.165  -8.135
  466    HB2  SER  57           HB2      SER  57  -5.778  -7.768  -5.349
  467    HB3  SER  57           HB3      SER  57  -5.734  -9.399  -6.072
  468    HG   SER  57           HG       SER  57  -3.816  -9.099  -5.008
  469    H    ASP  58           H        ASP  58  -7.894  -6.646  -7.310
  470    HA   ASP  58           HA       ASP  58  -9.443  -8.940  -8.082
  471    HB2  ASP  58           HB2      ASP  58 -10.244  -7.032  -6.700
  472    HB3  ASP  58           HB3      ASP  58 -10.183  -6.007  -8.133
  473    H    TYR  59           H        TYR  59  -7.790  -6.408  -9.777
  474    HA   TYR  59           HA       TYR  59  -8.836  -7.295 -12.424
  475    HB2  TYR  59           HB2      TYR  59  -7.479  -4.753 -11.534
  476    HB3  TYR  59           HB3      TYR  59  -7.838  -5.130 -13.220
  477    HD1  TYR  59           HD2      TYR  59 -10.263  -5.498 -13.922
  478    HD2  TYR  59           HD1      TYR  59  -9.192  -3.894 -10.043
  479    HE1  TYR  59           HE2      TYR  59 -12.599  -4.750 -13.580
  480    HE2  TYR  59           HE1      TYR  59 -11.477  -3.166  -9.717
  481    HH   TYR  59           HH       TYR  59 -14.124  -3.734 -12.110
  482    H    ASN  60           H        ASN  60  -6.575  -8.272 -10.447
  483    HA   ASN  60           HA       ASN  60  -4.739  -9.455 -10.548
  484    HB2  ASN  60           HB2      ASN  60  -6.275 -10.475 -12.497
  485    HB3  ASN  60           HB3      ASN  60  -4.912  -9.974 -13.500
  486   HD21  ASN  60          HD22      ASN  60  -5.720 -11.673 -10.433
  487   HD22  ASN  60          HD21      ASN  60  -4.447 -12.875 -10.542
  488    H    ILE  61           H        ILE  61  -4.592  -6.564 -11.217
  489    HA   ILE  61           HA       ILE  61  -2.177  -6.038 -12.719
  490    HB   ILE  61           HB       ILE  61  -3.763  -4.654 -10.542
  491   HG12  ILE  61          HG12      ILE  61  -3.601  -3.710 -13.403
  492   HG13  ILE  61          HG13      ILE  61  -4.735  -4.988 -12.964
  493   HG21  ILE  61          HG21      ILE  61  -2.540  -2.545 -11.101
  494   HG22  ILE  61          HG22      ILE  61  -1.478  -3.768 -10.416
  495   HG23  ILE  61          HG23      ILE  61  -1.478  -3.473 -12.173
  496   HD11  ILE  61          HD11      ILE  61  -4.666  -2.244 -11.693
  497   HD12  ILE  61          HD12      ILE  61  -5.853  -2.854 -12.880
  498   HD13  ILE  61          HD13      ILE  61  -5.741  -3.550 -11.237
  499    H    GLN  62           H        GLN  62  -0.093  -5.928 -11.889
  500    HA   GLN  62           HA       GLN  62   0.409  -6.757  -9.071
  501    HB2  GLN  62           HB2      GLN  62   1.980  -7.553 -11.578
  502    HB3  GLN  62           HB3      GLN  62   2.369  -8.011  -9.912
  503    HG2  GLN  62           HG2      GLN  62   0.242  -9.286  -9.759
  504    HG3  GLN  62           HG3      GLN  62  -0.157  -8.807 -11.415
  505   HE21  GLN  62          HE22      GLN  62   0.132 -10.505 -12.798
  506   HE22  GLN  62          HE21      GLN  62   1.463 -11.645 -12.738
  507    H    LYS  63           H        LYS  63   3.115  -6.200  -8.967
  508    HA   LYS  63           HA       LYS  63   3.299  -3.376  -9.048
  509    HB2  LYS  63           HB2      LYS  63   5.555  -3.711  -8.380
  510    HB3  LYS  63           HB3      LYS  63   4.608  -5.013  -7.621
  511    HG2  LYS  63           HG2      LYS  63   5.450  -6.530  -9.479
  512    HG3  LYS  63           HG3      LYS  63   6.542  -5.200  -9.946
  513    HD2  LYS  63           HD2      LYS  63   7.380  -5.142  -7.538
  514    HD3  LYS  63           HD3      LYS  63   6.343  -6.539  -7.218
  515    HE2  LYS  63           HE2      LYS  63   8.417  -7.487  -7.517
  516    HE3  LYS  63           HE3      LYS  63   7.607  -7.752  -9.075
  517    HZ1  LYS  63           HZ1      LYS  63   9.902  -7.005  -9.337
  518    HZ2  LYS  63           HZ2      LYS  63   8.916  -5.869  -9.966
  519    HZ3  LYS  63           HZ3      LYS  63   9.622  -5.639  -8.498
  520    H    GLU  64           H        GLU  64   4.868  -2.178 -10.121
  521    HA   GLU  64           HA       GLU  64   5.391  -1.101 -11.914
  522    HB2  GLU  64           HB2      GLU  64   7.385  -1.854 -13.008
  523    HB3  GLU  64           HB3      GLU  64   7.412  -2.395 -11.341
  524    HG2  GLU  64           HG2      GLU  64   6.604  -4.677 -12.334
  525    HG3  GLU  64           HG3      GLU  64   7.085  -3.968 -13.885
  526    H    SER  65           H        SER  65   2.948  -1.698 -12.196
  527    HA   SER  65           HA       SER  65   2.574  -2.722 -15.009
  528    HB2  SER  65           HB2      SER  65   0.768  -3.122 -12.600
  529    HB3  SER  65           HB3      SER  65   0.333  -3.512 -14.265
  530    HG   SER  65           HG       SER  65   2.561  -4.621 -12.863
  531    H    THR  66           H        THR  66   0.834  -1.717 -16.140
  532    HA   THR  66           HA       THR  66   0.756   1.140 -15.395
  533    HB   THR  66           HB       THR  66   0.374  -0.118 -18.143
  534    HG1  THR  66           HG1      THR  66   2.534   0.200 -18.467
  535   HG21  THR  66          HG21      THR  66  -0.462   2.215 -18.032
  536   HG22  THR  66          HG22      THR  66   1.108   2.741 -17.384
  537   HG23  THR  66          HG23      THR  66   0.994   2.093 -19.027
  538    H    LEU  67           H        LEU  67  -1.047   2.297 -15.450
  539    HA   LEU  67           HA       LEU  67  -3.713   1.037 -15.818
  540    HB2  LEU  67           HB2      LEU  67  -2.377   1.896 -13.416
  541    HB3  LEU  67           HB3      LEU  67  -3.430   3.231 -13.857
  542    HG   LEU  67           HG       LEU  67  -5.347   1.662 -13.940
  543   HD11  LEU  67          HD11      LEU  67  -3.961  -0.443 -14.278
  544   HD12  LEU  67          HD12      LEU  67  -3.346  -0.272 -12.636
  545   HD13  LEU  67          HD13      LEU  67  -5.104  -0.530 -12.933
  546   HD21  LEU  67          HD21      LEU  67  -5.496   1.470 -11.470
  547   HD22  LEU  67          HD22      LEU  67  -3.749   1.754 -11.336
  548   HD23  LEU  67          HD23      LEU  67  -4.800   3.049 -11.952
  549    H    HIS  68           H        HIS  68  -5.405   2.917 -15.955
  550    HA   HIS  68           HA       HIS  68  -4.237   5.207 -17.527
  551    HB2  HIS  68           HB2      HIS  68  -6.376   3.227 -18.184
  552    HB3  HIS  68           HB3      HIS  68  -6.672   4.905 -18.622
  553    HD2  HIS  68           HD2      HIS  68  -5.888   5.630 -20.884
  554    HE1  HIS  68           HE1      HIS  68  -3.386   2.354 -21.919
  555    H    LEU  69           H        LEU  69  -5.073   7.304 -16.836
  556    HA   LEU  69           HA       LEU  69  -7.297   7.251 -14.803
  557    HB2  LEU  69           HB2      LEU  69  -5.177   8.273 -14.060
  558    HB3  LEU  69           HB3      LEU  69  -5.047   9.158 -15.568
  559    HG   LEU  69           HG       LEU  69  -5.468  10.472 -13.572
  560   HD11  LEU  69          HD11      LEU  69  -7.616  10.985 -15.638
  561   HD12  LEU  69          HD12      LEU  69  -6.767  12.121 -14.595
  562   HD13  LEU  69          HD13      LEU  69  -5.893  11.328 -15.897
  563   HD21  LEU  69          HD21      LEU  69  -8.358   9.585 -13.779
  564   HD22  LEU  69          HD22      LEU  69  -7.200   8.922 -12.590
  565   HD23  LEU  69          HD23      LEU  69  -7.562  10.667 -12.609
  566    H    VAL  70           H        VAL  70  -9.198   8.193 -15.463
  567    HA   VAL  70           HA       VAL  70  -9.052  10.142 -17.712
  568    HB   VAL  70           HB       VAL  70 -10.914   9.281 -18.832
  569   HG11  VAL  70          HG11      VAL  70  -8.786   7.848 -19.105
  570   HG12  VAL  70          HG12      VAL  70  -9.570   6.651 -18.090
  571   HG13  VAL  70          HG13      VAL  70 -10.334   7.126 -19.626
  572   HG21  VAL  70          HG21      VAL  70 -11.278   7.313 -16.635
  573   HG22  VAL  70          HG22      VAL  70 -12.414   8.645 -17.015
  574   HG23  VAL  70          HG23      VAL  70 -12.253   7.293 -18.138
  575    H    LEU  71           H        LEU  71 -11.009  11.466 -17.733
  576    HA   LEU  71           HA       LEU  71 -11.854  12.120 -14.960
  577    HB2  LEU  71           HB2      LEU  71 -10.502  13.717 -16.417
  578    HB3  LEU  71           HB3      LEU  71 -11.904  13.786 -17.481
  579    HG   LEU  71           HG       LEU  71 -11.393  15.663 -15.773
  580   HD11  LEU  71          HD11      LEU  71 -13.285  15.776 -17.233
  581   HD12  LEU  71          HD12      LEU  71 -14.169  14.547 -16.337
  582   HD13  LEU  71          HD13      LEU  71 -13.872  16.152 -15.609
  583   HD21  LEU  71          HD21      LEU  71 -12.433  15.537 -13.639
  584   HD22  LEU  71          HD22      LEU  71 -13.060  13.903 -13.943
  585   HD23  LEU  71          HD23      LEU  71 -11.312  14.174 -13.765
  586    H    ARG  72           H        ARG  72 -13.813  11.385 -14.639
  587    HA   ARG  72           HA       ARG  72 -15.745  11.216 -16.902
  588    HB2  ARG  72           HB2      ARG  72 -16.972   9.546 -15.688
  589    HB3  ARG  72           HB3      ARG  72 -15.283   9.020 -15.755
  590    HG2  ARG  72           HG2      ARG  72 -14.949   9.797 -13.428
  591    HG3  ARG  72           HG3      ARG  72 -16.585  10.418 -13.353
  592    HD2  ARG  72           HD2      ARG  72 -15.697   7.552 -13.493
  593    HD3  ARG  72           HD3      ARG  72 -16.522   8.385 -12.163
  594    HE   ARG  72           HE       ARG  72 -18.017   8.310 -14.710
  595   HH11  ARG  72          HH21      ARG  72 -17.613   6.642 -11.554
  596   HH12  ARG  72          HH22      ARG  72 -19.142   5.857 -11.675
  597   HH21  ARG  72          HH11      ARG  72 -19.905   7.298 -14.852
  598   HH22  ARG  72          HH12      ARG  72 -20.531   6.259 -13.584
  599    H    LEU  73           H        LEU  73 -14.953  13.440 -14.920
  600    HA   LEU  73           HA       LEU  73 -15.956  15.245 -14.025
  601    HB2  LEU  73           HB2      LEU  73 -18.578  14.428 -15.304
  602    HB3  LEU  73           HB3      LEU  73 -18.022  16.007 -14.802
  603    HG   LEU  73           HG       LEU  73 -16.137  15.706 -16.592
  604   HD11  LEU  73          HD11      LEU  73 -17.215  14.352 -18.620
  605   HD12  LEU  73          HD12      LEU  73 -16.183  13.536 -17.489
  606   HD13  LEU  73          HD13      LEU  73 -17.939  13.388 -17.346
  607   HD21  LEU  73          HD21      LEU  73 -17.761  16.581 -18.315
  608   HD22  LEU  73          HD22      LEU  73 -19.057  16.242 -17.145
  609   HD23  LEU  73          HD23      LEU  73 -17.763  17.386 -16.754
  610    H    ARG  74           H        ARG  74 -18.121  12.350 -13.499
  611    HA   ARG  74           HA       ARG  74 -18.431  12.977 -10.653
  612    HB2  ARG  74           HB2      ARG  74 -20.820  13.341 -10.845
  613    HB3  ARG  74           HB3      ARG  74 -19.966  14.497 -11.875
  614    HG2  ARG  74           HG2      ARG  74 -20.445  12.984 -13.857
  615    HG3  ARG  74           HG3      ARG  74 -21.456  11.991 -12.796
  616    HD2  ARG  74           HD2      ARG  74 -22.906  13.949 -12.348
  617    HD3  ARG  74           HD3      ARG  74 -21.835  14.963 -13.316
  618    HE   ARG  74           HE       ARG  74 -22.502  13.932 -15.305
  619   HH11  ARG  74          HH21      ARG  74 -24.263  12.414 -12.561
  620   HH12  ARG  74          HH22      ARG  74 -25.506  11.782 -13.587
  621   HH21  ARG  74          HH11      ARG  74 -24.048  12.994 -16.615
  622   HH22  ARG  74          HH12      ARG  74 -25.382  12.103 -15.942
  623    H    GLY  75           H        GLY  75 -19.697  11.239  -9.588
  624    HA2  GLY  75           HA2      GLY  75 -20.207   8.799 -11.228
  625    HA3  GLY  75           HA3      GLY  75 -19.390   8.765  -9.653
  626    H    GLY  76           H        GLY  76 -22.019  11.031 -10.285
  627    HA2  GLY  76           HA2      GLY  76 -24.243   9.455  -9.489
  628    HA3  GLY  76           HA3      GLY  76 -23.657  10.433  -8.119
  629    H1   GLY  -3           H1       GLY  -3  -9.601  12.903 -32.690
  630    H2   GLY  -3           H2       GLY  -3  -9.730  13.367 -31.097
  631    H3   GLY  -3           H3       GLY  -3  -8.673  14.160 -32.028
  632    HA2  GLY  -3           HA2      GLY  -3 -10.608  14.987 -33.360
  633    HA3  GLY  -3           HA3      GLY  -3 -11.537  14.222 -32.046
  634    H    HIS  -2           H        HIS  -2 -11.236  15.017 -29.767
  635    HA   HIS  -2           HA       HIS  -2 -10.387  17.872 -29.671
  636    HB2  HIS  -2           HB2      HIS  -2 -12.815  16.533 -28.461
  637    HB3  HIS  -2           HB3      HIS  -2 -12.404  18.243 -28.358
  638    HD2  HIS  -2           HD2      HIS  -2 -14.359  15.817 -30.459
  639    HE1  HIS  -2           HE1      HIS  -2 -14.153  19.395 -32.767
  640    H    MET  -1           H        MET  -1 -10.280  18.529 -27.345
  641    HA   MET  -1           HA       MET  -1  -9.654  16.516 -25.287
  642    HB2  MET  -1           HB2      MET  -1  -7.852  18.911 -25.915
  643    HB3  MET  -1           HB3      MET  -1  -7.688  17.779 -24.576
  644    HG2  MET  -1           HG2      MET  -1  -6.054  17.074 -26.054
  645    HG3  MET  -1           HG3      MET  -1  -7.368  15.954 -26.377
  646    HE1  MET  -1           HE1      MET  -1  -6.621  19.753 -27.667
  647    HE2  MET  -1           HE2      MET  -1  -5.095  18.846 -27.601
  648    HE3  MET  -1           HE3      MET  -1  -5.778  19.320 -29.168
  649    H    PHE 679           H        PHE 679  -9.974  17.643 -23.153
  650    HA   PHE 679           HA       PHE 679 -11.557  20.156 -23.419
  651    HB2  PHE 679           HB2      PHE 679 -12.388  17.584 -22.091
  652    HB3  PHE 679           HB3      PHE 679 -13.047  19.159 -21.614
  653    HD1  PHE 679           HD1      PHE 679 -12.713  16.742 -24.430
  654    HD2  PHE 679           HD2      PHE 679 -14.620  20.355 -23.041
  655    HE1  PHE 679           HE1      PHE 679 -14.271  16.659 -26.360
  656    HE2  PHE 679           HE2      PHE 679 -16.153  20.286 -24.992
  657    HZ   PHE 679           HZ       PHE 679 -15.974  18.448 -26.661
  658    HA   PRO 680           HA       PRO 680  -9.188  20.883 -19.550
  659    HB2  PRO 680           HB2      PRO 680  -8.559  19.009 -17.657
  660    HB3  PRO 680           HB3      PRO 680 -10.127  19.871 -17.698
  661    HG2  PRO 680           HG2      PRO 680  -9.499  17.103 -18.709
  662    HG3  PRO 680           HG3      PRO 680 -10.922  17.648 -17.776
  663    HD2  PRO 680           HD2      PRO 680 -10.912  17.322 -20.514
  664    HD3  PRO 680           HD3      PRO 680 -11.949  18.519 -19.674
  665    H    SER 681           H        SER 681  -6.828  20.834 -19.155
  666    HA   SER 681           HA       SER 681  -5.254  19.825 -21.225
  667    HB2  SER 681           HB2      SER 681  -4.310  20.457 -18.405
  668    HB3  SER 681           HB3      SER 681  -3.392  20.599 -19.913
  669    HG   SER 681           HG       SER 681  -4.210  22.636 -19.204
  670    H    ASP 682           H        ASP 682  -6.466  18.123 -18.512
  671    HA   ASP 682           HA       ASP 682  -4.668  15.982 -18.095
  672    HB2  ASP 682           HB2      ASP 682  -6.774  16.730 -16.814
  673    HB3  ASP 682           HB3      ASP 682  -7.660  15.919 -18.119
  674    H    ILE 683           H        ILE 683  -6.280  16.591 -21.056
  675    HA   ILE 683           HA       ILE 683  -6.285  13.669 -21.628
  676    HB   ILE 683           HB       ILE 683  -8.314  15.461 -22.876
  677   HG12  ILE 683          HG12      ILE 683  -8.690  15.989 -20.476
  678   HG13  ILE 683          HG13      ILE 683 -10.010  15.118 -21.214
  679   HG21  ILE 683          HG21      ILE 683  -9.512  13.584 -23.185
  680   HG22  ILE 683          HG22      ILE 683  -7.845  13.025 -23.436
  681   HG23  ILE 683          HG23      ILE 683  -8.671  12.701 -21.894
  682   HD11  ILE 683          HD11      ILE 683  -9.588  13.143 -19.948
  683   HD12  ILE 683          HD12      ILE 683  -8.028  13.712 -19.381
  684   HD13  ILE 683          HD13      ILE 683  -9.513  14.498 -18.846
  685    H    ASP 684           H        ASP 684  -5.532  13.058 -23.643
  686    HA   ASP 684           HA       ASP 684  -4.733  15.033 -25.681
  687    HB2  ASP 684           HB2      ASP 684  -2.764  14.740 -24.261
  688    HB3  ASP 684           HB3      ASP 684  -2.910  12.977 -24.336
  689    HA   PRO 685           HA       PRO 685  -6.696  11.992 -28.234
  690    HB2  PRO 685           HB2      PRO 685  -4.408  12.447 -30.158
  691    HB3  PRO 685           HB3      PRO 685  -6.166  12.352 -30.494
  692    HG2  PRO 685           HG2      PRO 685  -4.972  14.773 -30.316
  693    HG3  PRO 685           HG3      PRO 685  -6.542  14.498 -29.485
  694    HD2  PRO 685           HD2      PRO 685  -3.760  14.457 -28.309
  695    HD3  PRO 685           HD3      PRO 685  -5.237  15.224 -27.671
  696    H    GLN 686           H        GLN 686  -3.114  11.471 -27.800
  697    HA   GLN 686           HA       GLN 686  -3.059   8.924 -29.027
  698    HB2  GLN 686           HB2      GLN 686  -1.057  10.290 -28.399
  699    HB3  GLN 686           HB3      GLN 686  -1.358   9.936 -26.699
  700    HG2  GLN 686           HG2      GLN 686  -1.187   7.412 -27.412
  701    HG3  GLN 686           HG3      GLN 686  -0.504   8.030 -28.909
  702   HE21  GLN 686          HE22      GLN 686   1.605   9.252 -28.730
  703   HE22  GLN 686          HE21      GLN 686   2.627   8.981 -27.331
  704    H    VAL 687           H        VAL 687  -3.352   9.720 -25.515
  705    HA   VAL 687           HA       VAL 687  -3.661   6.963 -24.772
  706    HB   VAL 687           HB       VAL 687  -4.498   9.397 -23.182
  707   HG11  VAL 687          HG11      VAL 687  -3.782   7.878 -21.267
  708   HG12  VAL 687          HG12      VAL 687  -5.135   7.256 -22.227
  709   HG13  VAL 687          HG13      VAL 687  -3.551   6.593 -22.491
  710   HG21  VAL 687          HG21      VAL 687  -1.714   8.364 -23.761
  711   HG22  VAL 687          HG22      VAL 687  -2.319  10.039 -23.779
  712   HG23  VAL 687          HG23      VAL 687  -2.098   9.212 -22.241
  713    H    PHE 688           H        PHE 688  -5.889   9.652 -25.353
  714    HA   PHE 688           HA       PHE 688  -8.284   8.429 -24.533
  715    HB2  PHE 688           HB2      PHE 688  -7.725  10.698 -24.673
  716    HB3  PHE 688           HB3      PHE 688  -7.578  10.647 -26.435
  717    HD1  PHE 688           HD2      PHE 688 -10.309   9.679 -23.947
  718    HD2  PHE 688           HD1      PHE 688  -9.283  11.510 -27.717
  719    HE1  PHE 688           HE2      PHE 688 -12.714  10.130 -24.394
  720    HE2  PHE 688           HE1      PHE 688 -11.678  11.962 -28.141
  721    HZ   PHE 688           HZ       PHE 688 -13.394  11.264 -26.489
  722    H    TYR 689           H        TYR 689  -6.311   7.965 -27.465
  723    HA   TYR 689           HA       TYR 689  -8.410   6.430 -28.828
  724    HB2  TYR 689           HB2      TYR 689  -6.635   7.950 -29.928
  725    HB3  TYR 689           HB3      TYR 689  -5.478   6.673 -29.593
  726    HD1  TYR 689           HD1      TYR 689  -8.435   7.724 -31.515
  727    HD2  TYR 689           HD2      TYR 689  -5.599   4.535 -30.871
  728    HE1  TYR 689           HE1      TYR 689  -9.194   6.631 -33.612
  729    HE2  TYR 689           HE2      TYR 689  -6.335   3.440 -32.962
  730    HH   TYR 689           HH       TYR 689  -7.785   3.533 -34.803
  731    H    GLU 690           H        GLU 690  -5.566   5.905 -26.789
  732    HA   GLU 690           HA       GLU 690  -5.247   3.049 -26.924
  733    HB2  GLU 690           HB2      GLU 690  -3.891   5.106 -25.903
  734    HB3  GLU 690           HB3      GLU 690  -4.764   4.624 -24.439
  735    HG2  GLU 690           HG2      GLU 690  -3.791   2.374 -24.604
  736    HG3  GLU 690           HG3      GLU 690  -3.011   2.803 -26.129
  737    H    LEU 691           H        LEU 691  -7.863   4.853 -25.997
  738    HA   LEU 691           HA       LEU 691  -8.633   3.428 -23.602
  739    HB2  LEU 691           HB2      LEU 691  -8.631   6.050 -24.480
  740    HB3  LEU 691           HB3      LEU 691 -10.264   5.604 -24.905
  741    HG   LEU 691           HG       LEU 691 -10.727   5.150 -22.563
  742   HD11  LEU 691          HD11      LEU 691  -8.573   4.305 -21.705
  743   HD12  LEU 691          HD12      LEU 691  -7.761   5.785 -22.232
  744   HD13  LEU 691          HD13      LEU 691  -8.880   5.808 -20.853
  745   HD21  LEU 691          HD21      LEU 691 -10.702   7.355 -21.744
  746   HD22  LEU 691          HD22      LEU 691  -9.338   7.798 -22.812
  747   HD23  LEU 691          HD23      LEU 691 -10.944   7.425 -23.470
  748    HA   PRO 692           HA       PRO 692 -11.978   1.063 -25.558
  749    HB2  PRO 692           HB2      PRO 692 -13.880   1.023 -23.556
  750    HB3  PRO 692           HB3      PRO 692 -12.375   0.060 -23.504
  751    HG2  PRO 692           HG2      PRO 692 -12.814   2.838 -22.313
  752    HG3  PRO 692           HG3      PRO 692 -12.242   1.355 -21.453
  753    HD2  PRO 692           HD2      PRO 692 -10.483   3.113 -22.356
  754    HD3  PRO 692           HD3      PRO 692 -10.175   1.404 -22.700
  755    H    GLU 693           H        GLU 693 -13.983   1.472 -26.629
  756    HA   GLU 693           HA       GLU 693 -14.407   4.239 -27.258
  757    HB2  GLU 693           HB2      GLU 693 -14.603   2.257 -28.798
  758    HB3  GLU 693           HB3      GLU 693 -16.074   1.790 -27.959
  759    HG2  GLU 693           HG2      GLU 693 -16.615   2.936 -30.029
  760    HG3  GLU 693           HG3      GLU 693 -17.185   3.862 -28.651
  761    H    ALA 694           H        ALA 694 -16.258   1.909 -25.250
  762    HA   ALA 694           HA       ALA 694 -18.562   3.567 -24.981
  763    HB1  ALA 694           HB1      ALA 694 -19.166   2.034 -23.154
  764    HB2  ALA 694           HB2      ALA 694 -18.570   1.151 -24.568
  765    HB3  ALA 694           HB3      ALA 694 -17.518   1.364 -23.145
  766    H    VAL 695           H        VAL 695 -15.608   3.265 -22.914
  767    HA   VAL 695           HA       VAL 695 -16.734   5.153 -21.001
  768    HB   VAL 695           HB       VAL 695 -13.781   4.515 -21.186
  769   HG11  VAL 695          HG11      VAL 695 -14.153   4.816 -18.620
  770   HG12  VAL 695          HG12      VAL 695 -14.240   6.277 -19.629
  771   HG13  VAL 695          HG13      VAL 695 -15.724   5.495 -19.046
  772   HG21  VAL 695          HG21      VAL 695 -14.993   2.317 -21.101
  773   HG22  VAL 695          HG22      VAL 695 -14.135   2.676 -19.609
  774   HG23  VAL 695          HG23      VAL 695 -15.905   2.905 -19.695
  775    H    GLN 696           H        GLN 696 -14.616   5.441 -23.926
  776    HA   GLN 696           HA       GLN 696 -14.146   8.228 -23.663
  777    HB2  GLN 696           HB2      GLN 696 -14.670   6.545 -26.152
  778    HB3  GLN 696           HB3      GLN 696 -14.263   8.249 -26.219
  779    HG2  GLN 696           HG2      GLN 696 -12.082   7.871 -25.303
  780    HG3  GLN 696           HG3      GLN 696 -12.444   6.215 -24.917
  781   HE21  GLN 696          HE22      GLN 696 -11.924   4.687 -26.550
  782   HE22  GLN 696          HE21      GLN 696 -11.679   5.083 -28.235
  783    H    LYS 697           H        LYS 697 -16.989   6.457 -24.953
  784    HA   LYS 697           HA       LYS 697 -18.592   8.590 -25.725
  785    HB2  LYS 697           HB2      LYS 697 -18.987   5.851 -25.465
  786    HB3  LYS 697           HB3      LYS 697 -20.033   6.463 -24.206
  787    HG2  LYS 697           HG2      LYS 697 -21.583   6.688 -25.792
  788    HG3  LYS 697           HG3      LYS 697 -20.720   8.131 -26.311
  789    HD2  LYS 697           HD2      LYS 697 -20.402   5.288 -27.379
  790    HD3  LYS 697           HD3      LYS 697 -21.194   6.645 -28.200
  791    HE2  LYS 697           HE2      LYS 697 -18.940   7.854 -28.167
  792    HE3  LYS 697           HE3      LYS 697 -18.220   6.359 -27.546
  793    HZ1  LYS 697           HZ1      LYS 697 -17.914   6.309 -29.854
  794    HZ2  LYS 697           HZ2      LYS 697 -19.174   5.282 -29.626
  795    HZ3  LYS 697           HZ3      LYS 697 -19.454   6.787 -30.207
  796    H    GLU 698           H        GLU 698 -18.289   7.254 -22.415
  797    HA   GLU 698           HA       GLU 698 -20.167   8.995 -21.139
  798    HB2  GLU 698           HB2      GLU 698 -18.749   7.059 -19.994
  799    HB3  GLU 698           HB3      GLU 698 -17.526   8.329 -19.743
  800    HG2  GLU 698           HG2      GLU 698 -19.227   9.746 -18.622
  801    HG3  GLU 698           HG3      GLU 698 -20.382   8.412 -18.745
  802    H    LEU 699           H        LEU 699 -16.708   9.218 -21.574
  803    HA   LEU 699           HA       LEU 699 -16.167  11.614 -20.247
  804    HB2  LEU 699           HB2      LEU 699 -14.843   9.895 -22.338
  805    HB3  LEU 699           HB3      LEU 699 -14.137  11.428 -22.009
  806    HG   LEU 699           HG       LEU 699 -13.441  10.835 -19.878
  807   HD11  LEU 699          HD11      LEU 699 -15.309   8.466 -19.693
  808   HD12  LEU 699          HD12      LEU 699 -14.164   9.030 -18.478
  809   HD13  LEU 699          HD13      LEU 699 -15.548  10.024 -18.882
  810   HD21  LEU 699          HD21      LEU 699 -12.411   8.558 -20.152
  811   HD22  LEU 699          HD22      LEU 699 -13.449   8.271 -21.525
  812   HD23  LEU 699          HD23      LEU 699 -12.243   9.582 -21.601
  813    H    LEU 700           H        LEU 700 -16.308  11.190 -23.827
  814    HA   LEU 700           HA       LEU 700 -16.098  13.970 -24.303
  815    HB2  LEU 700           HB2      LEU 700 -16.691  13.512 -26.614
  816    HB3  LEU 700           HB3      LEU 700 -15.481  12.409 -25.985
  817    HG   LEU 700           HG       LEU 700 -17.795  11.009 -25.475
  818   HD11  LEU 700          HD11      LEU 700 -19.238  11.029 -27.417
  819   HD12  LEU 700          HD12      LEU 700 -19.212  12.650 -26.711
  820   HD13  LEU 700          HD13      LEU 700 -18.262  12.316 -28.174
  821   HD21  LEU 700          HD21      LEU 700 -15.699  10.188 -26.549
  822   HD22  LEU 700          HD22      LEU 700 -17.164   9.556 -27.295
  823   HD23  LEU 700          HD23      LEU 700 -16.243  10.866 -28.088
  824    H    ALA 701           H        ALA 701 -19.049  11.955 -23.875
  825    HA   ALA 701           HA       ALA 701 -20.775  14.006 -24.908
  826    HB1  ALA 701           HB1      ALA 701 -22.573  12.596 -23.980
  827    HB2  ALA 701           HB2      ALA 701 -21.367  11.607 -24.840
  828    HB3  ALA 701           HB3      ALA 701 -21.376  11.649 -23.062
  829    H    GLU 702           H        GLU 702 -19.932  12.988 -21.548
  830    HA   GLU 702           HA       GLU 702 -21.337  15.133 -20.244
  831    HB2  GLU 702           HB2      GLU 702 -18.933  13.417 -19.549
  832    HB3  GLU 702           HB3      GLU 702 -19.604  14.608 -18.445
  833    HG2  GLU 702           HG2      GLU 702 -21.185  12.272 -19.498
  834    HG3  GLU 702           HG3      GLU 702 -20.188  12.251 -18.030
  835    H    TRP 703           H        TRP 703 -17.923  14.813 -21.469
  836    HA   TRP 703           HA       TRP 703 -17.011  17.127 -20.224
  837    HB2  TRP 703           HB2      TRP 703 -16.175  15.936 -22.910
  838    HB3  TRP 703           HB3      TRP 703 -15.321  17.236 -22.121
  839    HD1  TRP 703           HD1      TRP 703 -15.467  15.355 -19.162
  840    HE1  TRP 703           HE1      TRP 703 -13.794  13.472 -18.960
  841    HE3  TRP 703           HE3      TRP 703 -14.056  14.901 -24.055
  842    HZ2  TRP 703           HZ2      TRP 703 -11.631  12.315 -20.547
  843    HZ3  TRP 703           HZ3      TRP 703 -12.242  13.343 -24.680
  844    HH2  TRP 703           HH2      TRP 703 -11.070  12.018 -22.937
  845    H    LYS 704           H        LYS 704 -18.454  16.783 -23.541
  846    HA   LYS 704           HA       LYS 704 -18.301  19.651 -23.955
  847    HB2  LYS 704           HB2      LYS 704 -19.167  19.263 -26.101
  848    HB3  LYS 704           HB3      LYS 704 -18.112  17.899 -25.727
  849    HG2  LYS 704           HG2      LYS 704 -20.243  16.618 -25.061
  850    HG3  LYS 704           HG3      LYS 704 -21.149  17.939 -25.815
  851    HD2  LYS 704           HD2      LYS 704 -19.942  17.528 -27.965
  852    HD3  LYS 704           HD3      LYS 704 -18.972  16.278 -27.170
  853    HE2  LYS 704           HE2      LYS 704 -20.584  15.058 -28.323
  854    HE3  LYS 704           HE3      LYS 704 -21.103  15.041 -26.633
  855    HZ1  LYS 704           HZ1      LYS 704 -22.737  16.792 -27.212
  856    HZ2  LYS 704           HZ2      LYS 704 -22.210  16.815 -28.765
  857    HZ3  LYS 704           HZ3      LYS 704 -22.954  15.494 -28.179
  858    H    ARG 705           H        ARG 705 -20.760  17.554 -22.532
  859    HA   ARG 705           HA       ARG 705 -22.959  19.448 -22.912
  860    HB2  ARG 705           HB2      ARG 705 -22.467  16.934 -21.246
  861    HB3  ARG 705           HB3      ARG 705 -23.844  17.970 -20.875
  862    HG2  ARG 705           HG2      ARG 705 -24.758  17.740 -23.102
  863    HG3  ARG 705           HG3      ARG 705 -23.316  16.891 -23.670
  864    HD2  ARG 705           HD2      ARG 705 -25.049  15.263 -23.323
  865    HD3  ARG 705           HD3      ARG 705 -23.798  15.022 -22.089
  866    HE   ARG 705           HE       ARG 705 -25.833  16.771 -21.083
  867   HH11  ARG 705          HH21      ARG 705 -25.432  13.339 -21.929
  868   HH12  ARG 705          HH22      ARG 705 -26.621  12.781 -20.811
  869   HH21  ARG 705          HH11      ARG 705 -27.398  16.024 -19.577
  870   HH22  ARG 705          HH12      ARG 705 -27.770  14.345 -19.450
  871    H    THR 706           H        THR 706 -20.651  18.642 -20.391
  872    HA   THR 706           HA       THR 706 -21.869  20.422 -18.457
  873    HB   THR 706           HB       THR 706 -19.379  18.655 -18.405
  874    HG1  THR 706           HG1      THR 706 -20.985  17.296 -18.792
  875   HG21  THR 706          HG21      THR 706 -19.361  20.071 -16.477
  876   HG22  THR 706          HG22      THR 706 -21.082  19.710 -16.139
  877   HG23  THR 706          HG23      THR 706 -19.838  18.433 -16.003
  878    H    GLY 707           H        GLY 707 -19.162  20.400 -20.687
  879    HA2  GLY 707           HA2      GLY 707 -17.403  22.323 -19.869
  880    HA3  GLY 707           HA3      GLY 707 -17.915  22.015 -21.541