*HEADER    HYDROLASE                               27-FEB-07   2OZX              
*TITLE     SOLUTION STRUCTURE OF HUMAN PHOSPHOHISTIDINE PHOSPHATASE 1            
*TITLE    2 IN PHOSPHATE FREE FORM                                               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: 14 KDA PHOSPHOHISTIDINE PHOSPHATASE;                       
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: PHOSPHOHISTIDINE PHOSPHATASE 1, PROTEIN JANUS-A             
*COMPND   5 HOMOLOG;                                                             
*COMPND   6 EC: 3.1.3.-;                                                         
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   7 EXPRESSION_SYSTEM_PLASMID: PET28A                                    
*KEYWDS    ALPHA/BETA ARCHITECTURE, HYDROLASE                                    
*EXPDTA    NMR, 21 STRUCTURES                                                    
*AUTHOR    W.GONG, G.CUI, C.JIN, B.XIA                                           
*REVDAT   1   25-MAR-08 2OZX    0                                                


# 1904 atoms read from pdb file sa_1_NE2.pdb.
# 22 TYR PHI:  (21 LYS C)-(22 TYR N)-(22 TYR CA)-(22 TYR C) -169.0 -109.0
 &rst     iat =   306,   308,   310,   327,
   r1 = -170.0, r2 = -169.0, r3 = -109.0, r4 = -108.0,
   rk2 =   50, rk3 =   50,    &end

# 22 TYR PSI:  (22 TYR N)-(22 TYR CA)-(22 TYR C)-(23 VAL N) 105.0 165.0
 &rst     iat =   308,   310,   327,   329,
   r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
 &end

# 23 VAL PHI:  (22 TYR C)-(23 VAL N)-(23 VAL CA)-(23 VAL C) -169.0 -109.0
 &rst     iat =   327,   329,   331,   343,
   r1 = -170.0, r2 = -169.0, r3 = -109.0, r4 = -108.0,
 &end

# 23 VAL PSI:  (23 VAL N)-(23 VAL CA)-(23 VAL C)-(24 LEU N) 105.0 165.0
 &rst     iat =   329,   331,   343,   345,
   r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
 &end

# 24 LEU PHI:  (23 VAL C)-(24 LEU N)-(24 LEU CA)-(24 LEU C) -169.0 -99.0
 &rst     iat =   343,   345,   347,   362,
   r1 = -170.0, r2 = -169.0, r3 = -99.0, r4 = -98.0,
 &end

# 24 LEU PSI:  (24 LEU N)-(24 LEU CA)-(24 LEU C)-(25 ILE N) 115.0 155.0
 &rst     iat =   345,   347,   362,   364,
   r1 = 114.0, r2 = 115.0, r3 = 155.0, r4 = 156.0,
 &end

# 25 ILE PHI:  (24 LEU C)-(25 ILE N)-(25 ILE CA)-(25 ILE C) -169.0 -109.0
 &rst     iat =   362,   364,   366,   381,
   r1 = -170.0, r2 = -169.0, r3 = -109.0, r4 = -108.0,
 &end

# 25 ILE PSI:  (25 ILE N)-(25 ILE CA)-(25 ILE C)-(26 ARG N) 105.0 165.0
 &rst     iat =   364,   366,   381,   383,
   r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
 &end

# 26 ARG PSI:  (26 ARG N)-(26 ARG CA)-(26 ARG C)-(27 VAL N) 105.0 165.0
 &rst     iat =   383,   385,   405,   407,
   r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
 &end

# 27 VAL PHI:  (26 ARG C)-(27 VAL N)-(27 VAL CA)-(27 VAL C) -169.0 -109.0
 &rst     iat =   405,   407,   409,   421,
   r1 = -170.0, r2 = -169.0, r3 = -109.0, r4 = -108.0,
 &end

# 27 VAL PSI:  (27 VAL N)-(27 VAL CA)-(27 VAL C)-(28 HIS N) 115.0 155.0
 &rst     iat =   407,   409,   421,   423,
   r1 = 114.0, r2 = 115.0, r3 = 155.0, r4 = 156.0,
 &end

# 40 SER PHI:  (39 GLU C)-(40 SER N)-(40 SER CA)-(40 SER C) -169.0 -109.0
 &rst     iat =   574,   576,   578,   585,
   r1 = -170.0, r2 = -169.0, r3 = -109.0, r4 = -108.0,
 &end

# 40 SER PSI:  (40 SER N)-(40 SER CA)-(40 SER C)-(41 LYS N) 115.0 155.0
 &rst     iat =   576,   578,   585,   587,
   r1 = 114.0, r2 = 115.0, r3 = 155.0, r4 = 156.0,
 &end

# 41 LYS PHI:  (40 SER C)-(41 LYS N)-(41 LYS CA)-(41 LYS C) -169.0 -109.0
 &rst     iat =   585,   587,   589,   607,
   r1 = -170.0, r2 = -169.0, r3 = -109.0, r4 = -108.0,
 &end

# 41 LYS PSI:  (41 LYS N)-(41 LYS CA)-(41 LYS C)-(42 GLU N)  95.0 175.0
 &rst     iat =   587,   589,   607,   609,
   r1 =  94.0, r2 =  95.0, r3 = 175.0, r4 = 176.0,
 &end

# 42 GLU PHI:  (41 LYS C)-(42 GLU N)-(42 GLU CA)-(42 GLU C) -169.0 -99.0
 &rst     iat =   607,   609,   611,   622,
   r1 = -170.0, r2 = -169.0, r3 = -99.0, r4 = -98.0,
 &end

# 42 GLU PSI:  (42 GLU N)-(42 GLU CA)-(42 GLU C)-(43 ILE N) 105.0 165.0
 &rst     iat =   609,   611,   622,   624,
   r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
 &end

# 43 ILE PHI:  (42 GLU C)-(43 ILE N)-(43 ILE CA)-(43 ILE C) -169.0 -109.0
 &rst     iat =   622,   624,   626,   641,
   r1 = -170.0, r2 = -169.0, r3 = -109.0, r4 = -108.0,
 &end

# 43 ILE PSI:  (43 ILE N)-(43 ILE CA)-(43 ILE C)-(44 VAL N) 105.0 165.0
 &rst     iat =   624,   626,   641,   643,
   r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
 &end

# 44 VAL PHI:  (43 ILE C)-(44 VAL N)-(44 VAL CA)-(44 VAL C) -169.0 -109.0
 &rst     iat =   641,   643,   645,   657,
   r1 = -170.0, r2 = -169.0, r3 = -109.0, r4 = -108.0,
 &end

# 44 VAL PSI:  (44 VAL N)-(44 VAL CA)-(44 VAL C)-(45 ARG N) 115.0 155.0
 &rst     iat =   643,   645,   657,   659,
   r1 = 114.0, r2 = 115.0, r3 = 155.0, r4 = 156.0,
 &end

# 45 ARG PHI:  (44 VAL C)-(45 ARG N)-(45 ARG CA)-(45 ARG C) -169.0 -109.0
 &rst     iat =   657,   659,   661,   681,
   r1 = -170.0, r2 = -169.0, r3 = -109.0, r4 = -108.0,
 &end

# 45 ARG PSI:  (45 ARG N)-(45 ARG CA)-(45 ARG C)-(46 GLY N) 105.0 165.0
 &rst     iat =   659,   661,   681,   683,
   r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
 &end

# 55 ASP PHI:  (54 ALA C)-(55 ASP N)-(55 ASP CA)-(55 ASP C) -90.0 -30.0
 &rst     iat =   828,   830,   832,   840,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 55 ASP PSI:  (55 ASP N)-(55 ASP CA)-(55 ASP C)-(56 ILE N) -80.0 -20.0
 &rst     iat =   830,   832,   840,   842,
   r1 = -81.0, r2 = -80.0, r3 = -20.0, r4 = -19.0,
 &end

# 56 ILE PHI:  (55 ASP C)-(56 ILE N)-(56 ILE CA)-(56 ILE C) -90.0 -30.0
 &rst     iat =   840,   842,   844,   859,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 56 ILE PSI:  (56 ILE N)-(56 ILE CA)-(56 ILE C)-(57 TYR N) -80.0 -20.0
 &rst     iat =   842,   844,   859,   861,
   r1 = -81.0, r2 = -80.0, r3 = -20.0, r4 = -19.0,
 &end

# 57 TYR PHI:  (56 ILE C)-(57 TYR N)-(57 TYR CA)-(57 TYR C) -90.0 -30.0
 &rst     iat =   859,   861,   863,   880,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 57 TYR PSI:  (57 TYR N)-(57 TYR CA)-(57 TYR C)-(58 ASP N) -80.0 -20.0
 &rst     iat =   861,   863,   880,   882,
   r1 = -81.0, r2 = -80.0, r3 = -20.0, r4 = -19.0,
 &end

# 58 ASP PHI:  (57 TYR C)-(58 ASP N)-(58 ASP CA)-(58 ASP C) -90.0 -30.0
 &rst     iat =   880,   882,   884,   892,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 58 ASP PSI:  (58 ASP N)-(58 ASP CA)-(58 ASP C)-(59 LYS N) -80.0 -20.0
 &rst     iat =   882,   884,   892,   894,
   r1 = -81.0, r2 = -80.0, r3 = -20.0, r4 = -19.0,
 &end

# 59 LYS PHI:  (58 ASP C)-(59 LYS N)-(59 LYS CA)-(59 LYS C) -90.0 -30.0
 &rst     iat =   892,   894,   896,   914,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 59 LYS PSI:  (59 LYS N)-(59 LYS CA)-(59 LYS C)-(60 VAL N) -80.0 -20.0
 &rst     iat =   894,   896,   914,   916,
   r1 = -81.0, r2 = -80.0, r3 = -20.0, r4 = -19.0,
 &end

# 60 VAL PHI:  (59 LYS C)-(60 VAL N)-(60 VAL CA)-(60 VAL C) -90.0 -30.0
 &rst     iat =   914,   916,   918,   930,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 60 VAL PSI:  (60 VAL N)-(60 VAL CA)-(60 VAL C)-(61 SER N) -80.0 -20.0
 &rst     iat =   916,   918,   930,   932,
   r1 = -81.0, r2 = -80.0, r3 = -20.0, r4 = -19.0,
 &end

# 61 SER PHI:  (60 VAL C)-(61 SER N)-(61 SER CA)-(61 SER C) -90.0 -30.0
 &rst     iat =   930,   932,   934,   941,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 61 SER PSI:  (61 SER N)-(61 SER CA)-(61 SER C)-(62 GLY N) -80.0 -20.0
 &rst     iat =   932,   934,   941,   943,
   r1 = -81.0, r2 = -80.0, r3 = -20.0, r4 = -19.0,
 &end

# 62 GLY PHI:  (61 SER C)-(62 GLY N)-(62 GLY CA)-(62 GLY C) -90.0 -30.0
 &rst     iat =   941,   943,   945,   948,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 62 GLY PSI:  (62 GLY N)-(62 GLY CA)-(62 GLY C)-(63 ASP N) -80.0 -20.0
 &rst     iat =   943,   945,   948,   950,
   r1 = -81.0, r2 = -80.0, r3 = -20.0, r4 = -19.0,
 &end

# 63 ASP PHI:  (62 GLY C)-(63 ASP N)-(63 ASP CA)-(63 ASP C) -80.0 -20.0
 &rst     iat =   948,   950,   952,   960,
   r1 = -81.0, r2 = -80.0, r3 = -20.0, r4 = -19.0,
 &end

# 63 ASP PSI:  (63 ASP N)-(63 ASP CA)-(63 ASP C)-(64 MET N) -70.0 -30.0
 &rst     iat =   950,   952,   960,   962,
   r1 = -71.0, r2 = -70.0, r3 = -30.0, r4 = -29.0,
 &end

# 64 MET PHI:  (63 ASP C)-(64 MET N)-(64 MET CA)-(64 MET C) -90.0 -30.0
 &rst     iat =   960,   962,   964,   977,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 64 MET PSI:  (64 MET N)-(64 MET CA)-(64 MET C)-(65 GLN N) -80.0 -20.0
 &rst     iat =   962,   964,   977,   979,
   r1 = -81.0, r2 = -80.0, r3 = -20.0, r4 = -19.0,
 &end

# 65 GLN PHI:  (64 MET C)-(65 GLN N)-(65 GLN CA)-(65 GLN C) -90.0 -30.0
 &rst     iat =   977,   979,   981,   994,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 65 GLN PSI:  (65 GLN N)-(65 GLN CA)-(65 GLN C)-(66 LYS N) -80.0 -20.0
 &rst     iat =   979,   981,   994,   996,
   r1 = -81.0, r2 = -80.0, r3 = -20.0, r4 = -19.0,
 &end

# 66 LYS PHI:  (65 GLN C)-(66 LYS N)-(66 LYS CA)-(66 LYS C) -90.0 -30.0
 &rst     iat =   994,   996,   998,  1016,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 66 LYS PSI:  (66 LYS N)-(66 LYS CA)-(66 LYS C)-(67 GLN N) -80.0 -20.0
 &rst     iat =   996,   998,  1016,  1018,
   r1 = -81.0, r2 = -80.0, r3 = -20.0, r4 = -19.0,
 &end

# 70 ASP PHI:  (69 CYS C)-(70 ASP N)-(70 ASP CA)-(70 ASP C) -169.0 -109.0
 &rst     iat =  1051,  1053,  1055,  1063,
   r1 = -170.0, r2 = -169.0, r3 = -109.0, r4 = -108.0,
 &end

# 70 ASP PSI:  (70 ASP N)-(70 ASP CA)-(70 ASP C)-(71 CYS N) 105.0 165.0
 &rst     iat =  1053,  1055,  1063,  1065,
   r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
 &end

# 71 CYS PHI:  (70 ASP C)-(71 CYS N)-(71 CYS CA)-(71 CYS C) -169.0 -109.0
 &rst     iat =  1063,  1065,  1067,  1074,
   r1 = -170.0, r2 = -169.0, r3 = -109.0, r4 = -108.0,
 &end

# 71 CYS PSI:  (71 CYS N)-(71 CYS CA)-(71 CYS C)-(72 GLU N) 105.0 165.0
 &rst     iat =  1065,  1067,  1074,  1076,
   r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
 &end

# 72 GLU PHI:  (71 CYS C)-(72 GLU N)-(72 GLU CA)-(72 GLU C) -169.0 -109.0
 &rst     iat =  1074,  1076,  1078,  1089,
   r1 = -170.0, r2 = -169.0, r3 = -109.0, r4 = -108.0,
 &end

# 72 GLU PSI:  (72 GLU N)-(72 GLU CA)-(72 GLU C)-(73 CYS N) 105.0 165.0
 &rst     iat =  1076,  1078,  1089,  1091,
   r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
 &end

# 78 ARG PHI:  (77 GLY C)-(78 ARG N)-(78 ARG CA)-(78 ARG C) -159.0 -119.0
 &rst     iat =  1140,  1142,  1144,  1164,
   r1 = -160.0, r2 = -159.0, r3 = -119.0, r4 = -118.0,
 &end

# 78 ARG PSI:  (78 ARG N)-(78 ARG CA)-(78 ARG C)-(79 ILE N) 105.0 165.0
 &rst     iat =  1142,  1144,  1164,  1166,
   r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
 &end

# 79 ARG PHI:  (78 ARG C)-(79 ILE N)-(79 ILE CA)-(79 ILE C) -169.0 -109.0
 &rst     iat =  1164,  1166,  1168,  1183,
   r1 = -170.0, r2 = -169.0, r3 = -109.0, r4 = -108.0,
 &end

# 79 ARG PSI:  (79 ILE N)-(79 ILE CA)-(79 ILE C)-(80 SER N) 115.0 155.0
 &rst     iat =  1166,  1168,  1183,  1185,
   r1 = 114.0, r2 = 115.0, r3 = 155.0, r4 = 156.0,
 &end

# 103 ALA PHI:  (102 HIS C)-(103 ALA N)-(103 ALA CA)-(103 ALA C) -90.0 -30.0
 &rst     iat =  1537,  1539,  1541,  1547,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 103 ALA PSI:  (103 ALA N)-(103 ALA CA)-(103 ALA C)-(104 ILE N) -80.0 -20.0
 &rst     iat =  1539,  1541,  1547,  1549,
   r1 = -81.0, r2 = -80.0, r3 = -20.0, r4 = -19.0,
 &end

# 104 ILE PHI:  (103 ALA C)-(104 ILE N)-(104 ILE CA)-(104 ILE C) -80.0 -20.0
 &rst     iat =  1547,  1549,  1551,  1566,
   r1 = -81.0, r2 = -80.0, r3 = -20.0, r4 = -19.0,
 &end

# 104 ILE PSI:  (104 ILE N)-(104 ILE CA)-(104 ILE C)-(105 SER N) -70.0 -30.0
 &rst     iat =  1549,  1551,  1566,  1568,
   r1 = -71.0, r2 = -70.0, r3 = -30.0, r4 = -29.0,
 &end

# 105 SER PHI:  (104 ILE C)-(105 SER N)-(105 SER CA)-(105 SER C) -90.0 -30.0
 &rst     iat =  1566,  1568,  1570,  1577,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 105 SER PSI:  (105 SER N)-(105 SER CA)-(105 SER C)-(106 THR N) -80.0 -20.0
 &rst     iat =  1568,  1570,  1577,  1579,
   r1 = -81.0, r2 = -80.0, r3 = -20.0, r4 = -19.0,
 &end

# 106 THR PHI:  (105 SER C)-(106 THR N)-(106 THR CA)-(106 THR C) -90.0 -30.0
 &rst     iat =  1577,  1579,  1581,  1591,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 106 THR PSI:  (106 THR N)-(106 THR CA)-(106 THR C)-(107 GLU N) -80.0 -20.0
 &rst     iat =  1579,  1581,  1591,  1593,
   r1 = -81.0, r2 = -80.0, r3 = -20.0, r4 = -19.0,
 &end

# 107 GLU PHI:  (106 THR C)-(107 GLU N)-(107 GLU CA)-(107 GLU C) -80.0 -20.0
 &rst     iat =  1591,  1593,  1595,  1606,
   r1 = -81.0, r2 = -80.0, r3 = -20.0, r4 = -19.0,
 &end

# 107 GLU PSI:  (107 GLU N)-(107 GLU CA)-(107 GLU C)-(108 LYS N) -70.0 -30.0
 &rst     iat =  1593,  1595,  1606,  1608,
   r1 = -71.0, r2 = -70.0, r3 = -30.0, r4 = -29.0,
 &end

# 108 LYS PHI:  (107 GLU C)-(108 LYS N)-(108 LYS CA)-(108 LYS C) -90.0 -30.0
 &rst     iat =  1606,  1608,  1610,  1628,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 108 LYS PSI:  (108 LYS N)-(108 LYS CA)-(108 LYS C)-(109 ILE N) -80.0 -20.0
 &rst     iat =  1608,  1610,  1628,  1630,
   r1 = -81.0, r2 = -80.0, r3 = -20.0, r4 = -19.0,
 &end

# 109 ILE PHI:  (108 LYS C)-(109 ILE N)-(109 ILE CA)-(109 ILE C) -90.0 -30.0
 &rst     iat =  1628,  1630,  1632,  1647,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 109 ILE PSI:  (109 ILE N)-(109 ILE CA)-(109 ILE C)-(110 LYS N) -80.0 -20.0
 &rst     iat =  1630,  1632,  1647,  1649,
   r1 = -81.0, r2 = -80.0, r3 = -20.0, r4 = -19.0,
 &end

# 110 LYS PHI:  (109 ILE C)-(110 LYS N)-(110 LYS CA)-(110 LYS C) -90.0 -30.0
 &rst     iat =  1647,  1649,  1651,  1669,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 110 LYS PSI:  (110 LYS N)-(110 LYS CA)-(110 LYS C)-(111 ALA N) -80.0 -20.0
 &rst     iat =  1649,  1651,  1669,  1671,
   r1 = -81.0, r2 = -80.0, r3 = -20.0, r4 = -19.0,
 &end

# 111 ALA PHI:  (110 LYS C)-(111 ALA N)-(111 ALA CA)-(111 ALA C) -80.0 -20.0
 &rst     iat =  1669,  1671,  1673,  1679,
   r1 = -81.0, r2 = -80.0, r3 = -20.0, r4 = -19.0,
 &end

# 111 ALA PSI:  (111 ALA N)-(111 ALA CA)-(111 ALA C)-(112 LYS N) -70.0 -30.0
 &rst     iat =  1671,  1673,  1679,  1681,
   r1 = -71.0, r2 = -70.0, r3 = -30.0, r4 = -29.0,
 &end

# 112 LYS PHI:  (111 ALA C)-(112 LYS N)-(112 LYS CA)-(112 LYS C) -90.0 -30.0
 &rst     iat =  1679,  1681,  1683,  1701,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 112 LYS PSI:  (112 LYS N)-(112 LYS CA)-(112 LYS C)-(113 TYR N) -80.0 -20.0
 &rst     iat =  1681,  1683,  1701,  1703,
   r1 = -81.0, r2 = -80.0, r3 = -20.0, r4 = -19.0,
 &end

# 19 VAL CHI1:  (19 VAL N)-(19 VAL CA)-(19 VAL CB)-(19 VAL CG1) 150.0 210.0
 &rst     iat =   250,   252,   254,   256,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 44 VAL CHI1:  (44 VAL N)-(44 VAL CA)-(44 VAL CB)-(44 VAL CG1) 150.0 210.0
 &rst     iat =   643,   645,   647,   649,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 60 VAL CHI1:  (60 VAL N)-(60 VAL CA)-(60 VAL CB)-(60 VAL CG1) 150.0 210.0
 &rst     iat =   916,   918,   920,   922,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 14 ILE CHI1:  (14 ILE N)-(14 ILE CA)-(14 ILE CB)-(14 ILE CG1)  30.0  90.0
 &rst     iat =   189,   191,   193,   199,
   r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
 &end

# 43 ILE CHI1:  (43 ILE N)-(43 ILE CA)-(43 ILE CB)-(43 ILE CG1)  30.0  90.0
 &rst     iat =   624,   626,   628,   634,
   r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
 &end

# 104 ILE CHI1:  (104 ILE N)-(104 ILE CA)-(104 ILE CB)-(104 ILE CG1) -90.0 -30.0
 &rst     iat =  1549,  1551,  1553,  1559,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 106 THR CHI1:  (106 THR N)-(106 THR CA)-(106 THR CB)-(106 THR OG1)  30.0  90.0
 &rst     iat =  1579,  1581,  1583,  1589,
   r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
 &end

# 119 THR CHI1:  (119 THR N)-(119 THR CA)-(119 THR CB)-(119 THR OG1)  30.0  90.0
 &rst     iat =  1802,  1804,  1806,  1812,
   r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
 &end

# 6 LEU CHI1:  (6 LEU N)-(6 LEU CA)-(6 LEU CB)-(6 LEU CG) -90.0 -30.0
 &rst     iat =    68,    70,    72,    75,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 13 ASP CHI1:  (13 ASP N)-(13 ASP CA)-(13 ASP CB)-(13 ASP CG) 150.0 210.0
 &rst     iat =   177,   179,   181,   184,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 21 LYS CHI1:  (21 LYS N)-(21 LYS CA)-(21 LYS CB)-(21 LYS CG) -90.0 -30.0
 &rst     iat =   286,   288,   290,   293,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 26 ARG CHI1:  (26 ARG N)-(26 ARG CA)-(26 ARG CB)-(26 ARG CG) 150.0 210.0
 &rst     iat =   383,   385,   387,   390,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 28 HIS CHI1:  (28 HIS N)-(28 HIS CA)-(28 HIS CB)-(28 HIS CG) -90.0 -30.0
 &rst     iat =   423,   425,   427,   430,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 40 SER CHI1:  (40 SER N)-(40 SER CA)-(40 SER CB)-(40 SER OG) -90.0 -30.0
 &rst     iat =   576,   578,   580,   583,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 45 ARG CHI1:  (45 ARG N)-(45 ARG CA)-(45 ARG CB)-(45 ARG CG) -90.0 -30.0
 &rst     iat =   659,   661,   663,   666,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 55 ASP CHI1:  (55 ASP N)-(55 ASP CA)-(55 ASP CB)-(55 ASP CG) 150.0 210.0
 &rst     iat =   830,   832,   834,   837,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 57 TYR CHI1:  (57 TYR N)-(57 TYR CA)-(57 TYR CB)-(57 TYR CG) 150.0 210.0
 &rst     iat =   861,   863,   865,   868,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 63 ASP CHI1:  (63 ASP N)-(63 ASP CA)-(63 ASP CB)-(63 ASP CG) 150.0 210.0
 &rst     iat =   950,   952,   954,   957,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 64 MET CHI1:  (64 MET N)-(64 MET CA)-(64 MET CB)-(64 MET CG) -90.0 -30.0
 &rst     iat =   962,   964,   966,   969,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 65 GLN CHI1:  (65 GLN N)-(65 GLN CA)-(65 GLN CB)-(65 GLN CG) -90.0 -30.0
 &rst     iat =   979,   981,   983,   986,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 67 GLN CHI1:  (67 GLN N)-(67 GLN CA)-(67 GLN CB)-(67 GLN CG) -90.0 -30.0
 &rst     iat =  1018,  1020,  1022,  1025,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 69 CYS CHI1:  (69 CYS N)-(69 CYS CA)-(69 CYS CB)-(69 CYS SG) -90.0 -30.0
 &rst     iat =  1042,  1044,  1046,  1049,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 71 CYS CHI1:  (71 CYS N)-(71 CYS CA)-(71 CYS CB)-(71 CYS SG) -90.0 -30.0
 &rst     iat =  1065,  1067,  1069,  1072,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 74 LEU CHI1:  (74 LEU N)-(74 LEU CA)-(74 LEU CB)-(74 LEU CG) -90.0 -30.0
 &rst     iat =  1102,  1104,  1106,  1109,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 102 HIS CHI1:  (102 HIS N)-(102 HIS CA)-(102 HIS CB)-(102 HIS CG) -90.0 -30.0
 &rst     iat =  1522,  1524,  1526,  1529,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 105 SER CHI1:  (105 SER N)-(105 SER CA)-(105 SER CB)-(105 SER OG) -90.0 -30.0
 &rst     iat =  1568,  1570,  1572,  1575,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 108 LYS CHI1:  (108 LYS N)-(108 LYS CA)-(108 LYS CB)-(108 LYS CG) -90.0 -30.0
 &rst     iat =  1608,  1610,  1612,  1615,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

#
#    52  TYR  HB-    52  TYR  HD        3.5   (#     0:25 Unique)
 &rst
  ixpk= 0, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr1= 787, 788,
 igr2= 791, 800,
 &end
#
#    52  TYR  HB+    52  TYR  HD        3.5   (#     1:25 Unique)
 &rst
  ixpk= 1, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 787, 788,
 igr2= 791, 800,
 &end
#
#    52  TYR  HA     52  TYR  HD        4.5   (#     2:25 Unique)
 &rst
  ixpk= 2, nxpk= 25, iat= 785,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 791, 800,
 &end
#
#     0  AMB  25-2:3  52  TYR  HD        4.5   (#     3:25 Single)
 &rst
  ixpk= 3, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 775, 776, 772, 773,
 igr2= 791, 800,
 &end
#
#    51  GLU  HB-    52  TYR  HD        4.5   (#     4:25 Unique)
 &rst
  ixpk= 4, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 772, 773,
 igr2= 791, 800,
 &end
#
#    52  TYR  HE     52  TYR  HD        2.8   (#     5:25 Unique)
 &rst
  ixpk= 5, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 793, 798,
 igr2= 791, 800,
 &end
#
#    52  TYR  HN     52  TYR  HD        4.5   (#     6:25 Unique)
 &rst
  ixpk= 6, nxpk= 25, iat= 783,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 791, 800,
 &end
#
#     0  AMB  25-2:7  93  TYR  HD        4.5   (#     7:25 Single)
 &rst
  ixpk= 7, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1399,1400,1489,1490,
 igr2=1403,1412,
 &end
#
#    93  TYR  HB+    93  TYR  HD        5.5   (#     8:25 Unique)
 &rst
  ixpk= 8, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1399,1400,
 igr2=1403,1412,
 &end
#
#    57  TYR  HA     57  TYR  HD        4.5   (#     9:25 Unique)
 &rst
  ixpk= 9, nxpk= 25, iat= 864,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 870, 879,
 &end
#
#    57  TYR  HE     57  TYR  HD        3.5   (#    11:25 Unique)
 &rst
  ixpk= 11, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 872, 877,
 igr2= 870, 879,
 &end
#
#    97  TYR  HA     97  TYR  HD        3.5   (#    12:25 Unique)
 &rst
  ixpk= 12, nxpk= 25, iat=1456,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1462,1471,
 &end
#
#    57  TYR  HB3    57  TYR  HD        4.5   (#    13:25 Unique)
 &rst
  ixpk= 13, nxpk= 25, iat= 867,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 870, 879,
 &end
#
#    57  TYR  HB2    57  TYR  HD        4.5   (#    14:25 Unique)
 &rst
  ixpk= 14, nxpk= 25, iat= 866,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 870, 879,
 &end
#
#    97  TYR  HB+    97  TYR  HD        3.5   (#    15:25 Unique)
 &rst
  ixpk= 15, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1458,1459,
 igr2=1462,1471,
 &end
#
#    97  TYR  HB-    97  TYR  HD        4.5   (#    16:25 Unique)
 &rst
  ixpk= 16, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1458,1459,
 igr2=1462,1471,
 &end
#
#    73  CYS  HB+    57  TYR  HD        7.0   (#    17:25 Unique)
 &rst
  ixpk= 17, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1096,1097,
 igr2= 870, 879,
 &end
#
#    25  ILE  HG1-   57  TYR  HD        5.5   (#    18:25 Unique)
 &rst
  ixpk= 18, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 375, 376,
 igr2= 870, 879,
 &end
#
#     0  AMB  25-2:19  57  TYR  HD        3.5   (#    19:25 Single)
 &rst
  ixpk= 19, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 378, 379, 380, 371, 372, 373,
 igr2= 870, 879,
 &end
#
#     0  AMB  25-2:20  97  TYR  HD        4.5   (#    20:25 Single)
 &rst
  ixpk= 20, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 336, 337, 338, 340, 341, 342, 336, 337, 338, 340,
       341, 342,
 igr2=1462,1471,
 &end
#
#    97  TYR  HE     97  TYR  HD        3.5   (#    21:25 Unique)
 &rst
  ixpk= 21, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1464,1469,
 igr2=1462,1471,
 &end
#
#     0  AMB  25-2:22  97  TYR  HD        7.0   (#    22:25 Single)
 &rst
  ixpk= 22, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
 igr1=1131,1132, 808, 809,
 igr2=1462,1471,
 &end
#
#    91  TYR  HN     91  TYR  HD        4.5   (#    23:25 Unique)
 &rst
  ixpk= 23, nxpk= 25, iat=1367,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1375,1384,
 &end
#
#    92  GLY  HN     91  TYR  HD        5.5   (#    24:25 Unique)
 &rst
  ixpk= 24, nxpk= 25, iat=1388,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1375,1384,
 &end
#
#    91  TYR  HE     91  TYR  HD        2.8   (#    25:25 Unique)
 &rst
  ixpk= 25, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1377,1382,
 igr2=1375,1384,
 &end
#
#     0  AMB  25-2:27  91  TYR  HD        7.0   (#    27:25 Single)
 &rst
  ixpk= 27, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1=1879,1880,1190,1191,1190,1191,
 igr2=1375,1384,
 &end
#
#    91  TYR  HB-    91  TYR  HD        4.5   (#    28:25 Unique)
 &rst
  ixpk= 28, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1371,1372,
 igr2=1375,1384,
 &end
#
#    91  TYR  HB+    91  TYR  HD        5.5   (#    29:25 Unique)
 &rst
  ixpk= 29, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1371,1372,
 igr2=1375,1384,
 &end
#
#     0  AMB  25-2:30  47  TYR  HD        3.5   (#    30:25 Single)
 &rst
  ixpk= 30, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 762, 763, 764, 856, 857, 858,
 igr2= 699, 708,
 &end
#
#     0  AMB  25-2:31  47  TYR  HD        7.0   (#    31:25 Single)
 &rst
  ixpk= 31, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 760, 714,
 igr2= 699, 708,
 &end
#
#    47  TYR  HE     47  TYR  HD        3.5   (#    32:25 Unique)
 &rst
  ixpk= 32, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 701, 706,
 igr2= 699, 708,
 &end
#
#    49  TRP  HE1    49  TRP  HD1       3.5   (#    33:25 Unique)
 &rst
  ixpk= 33, nxpk= 25, iat= 744, 742, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    49  TRP  HA     49  TRP  HD1       7.0   (#    34:25 Unique)
 &rst
  ixpk= 34, nxpk= 25, iat= 736, 742, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    49  TRP  HB+    49  TRP  HD1       5.5   (#    35:25 Unique)
 &rst
  ixpk= 35, nxpk= 25, iat=  -1, 742, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 738, 739,
 &end
#
#    49  TRP  HB-    49  TRP  HD1       4.5   (#    36:25 Unique)
 &rst
  ixpk= 36, nxpk= 25, iat=  -1, 742, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 738, 739,
 &end
#
#   120  TRP  HE1   120  TRP  HD1       3.5   (#    38:25 Unique)
 &rst
  ixpk= 38, nxpk= 25, iat=1827,1825, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   120  TRP  HN    120  TRP  HD1       5.5   (#    39:25 Unique)
 &rst
  ixpk= 39, nxpk= 25, iat=1817,1825, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   106  THR  HB    120  TRP  HD1       5.5   (#    40:25 Unique)
 &rst
  ixpk= 40, nxpk= 25, iat=1584,1825, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  25-2:41 120  TRP  HD1       4.5   (#    41:25 Single)
 &rst
  ixpk= 41, nxpk= 25, iat=  -1,1825, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1821,1822,1542,
 &end
#
#   106  THR  MG2   120  TRP  HD1       3.5   (#    42:25 Unique)
 &rst
  ixpk= 42, nxpk= 25, iat=  -1,1825, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1586,1587,1588,
 &end
#
#     0  AMB  25-2:43 120  TRP  HD1       7.0   (#    43:25 Single)
 &rst
  ixpk= 43, nxpk= 25, iat=  -1,1825, r1= 1.30, r2= 1.80, r3=10.99, r4=11.49,
 igr1=1793,1794,1795,1797,1798,1799,1793,1794,1795,1797,
      1798,1799,1544,1545,1546,
 &end
#
#   120  TRP  HZ2   120  TRP  HH2       2.8   (#    44:25 Unique)
 &rst
  ixpk= 44, nxpk= 25, iat=1830,1832, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   103  ALA  MB    120  TRP  HH2       7.0   (#    45:25 Unique)
 &rst
  ixpk= 45, nxpk= 25, iat=  -1,1832, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1544,1545,1546,
 &end
#
#    59  LYS  HG+    49  TRP  HH2       7.0   (#    46:25 Unique)
 &rst
  ixpk= 46, nxpk= 25, iat=  -1, 749, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 902, 903,
 &end
#
#     0  AMB  25-2:47  49  TRP  HH2       5.5   (#    47:25 Single)
 &rst
  ixpk= 47, nxpk= 25, iat=  -1, 749, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 899, 900, 899, 900,
 &end
#
#     0  AMB  25-2:48  49  TRP  HH2       7.0   (#    48:25 Single)
 &rst
  ixpk= 48, nxpk= 25, iat=  -1, 749, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 849, 850, 851, 762, 763, 764,
 &end
#
#    56  ILE  HA     49  TRP  HH2       7.0   (#    49:25 Unique)
 &rst
  ixpk= 49, nxpk= 25, iat= 845, 749, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    49  TRP  HZ2    49  TRP  HH2       3.5   (#    50:25 Unique)
 &rst
  ixpk= 50, nxpk= 25, iat= 747, 749, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   102  HIS  HB2   120  TRP  HE3       7.0   (#    51:25 Unique)
 &rst
  ixpk= 51, nxpk= 25, iat=1527,1836, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#     0  AMB  25-2:52 120  TRP  HE3       5.5   (#    52:25 Single)
 &rst
  ixpk= 52, nxpk= 25, iat=  -1,1836, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1855,1856,1528,
 &end
#
#     0  AMB  25-2:54 120  TRP  HE3       4.5   (#    54:25 Single)
 &rst
  ixpk= 54, nxpk= 25, iat=  -1,1836, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1853,1369,
 &end
#
#   120  TRP  HZ3   120  TRP  HE3       5.5   (#    55:25 Unique)
 &rst
  ixpk= 55, nxpk= 25, iat=1834,1836, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   102  HIS  HN    120  TRP  HE3       7.0   (#    56:25 Unique)
 &rst
  ixpk= 56, nxpk= 25, iat=1523,1836, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    71  CYS  HA     28  HIS  HD2       7.0   (#    58:25 Unique)
 &rst
  ixpk= 58, nxpk= 25, iat=1068, 437, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    27  VAL  HA     28  HIS  HD2       5.5   (#    59:25 Unique)
 &rst
  ixpk= 59, nxpk= 25, iat= 410, 437, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    28  HIS  HB3    28  HIS  HD2       7.0   (#    60:25 Unique)
 &rst
  ixpk= 60, nxpk= 25, iat= 429, 437, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#     0  AMB  25-2:61  28  HIS  HD2       7.0   (#    61:25 Single)
 &rst
  ixpk= 61, nxpk= 25, iat=  -1, 437, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 424,1077,
 &end
#
#   125  TYR  HE    125  TYR  HB-        4.5   (#    62:25 Single)
 &rst
  ixpk= 62, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1894,1899,
 igr2=1888,1889,
 &end
#
#   125  TYR  HE    125  TYR  HB-        4.5   (#    63:25 Single)
 &rst
  ixpk= 63, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1894,1899,
 igr2=1888,1889,
 &end
#
#   125  TYR  HE    125  TYR  HA         7.0   (#    64:25 Single)
 &rst
  ixpk= 64, nxpk= 25, iat=  -1,1886, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1894,1899,
 &end
#
#    95  MET  HG+    93  TYR  HE        4.5   (#    67:25 Unique)
 &rst
  ixpk= 67, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1434,1435,
 igr2=1405,1410,
 &end
#
#   125  TYR  HB+    93  TYR  HE        5.5   (#    68:25 Unique)
 &rst
  ixpk= 68, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1888,1889,
 igr2=1405,1410,
 &end
#
#    95  MET  HA     93  TYR  HE        5.5   (#    69:25 Unique)
 &rst
  ixpk= 69, nxpk= 25, iat=1429,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1405,1410,
 &end
#
#     0  AMB  25-2:70   0  AMB  25-1:70     4.5   (#    70:25 Double)
 &rst
  ixpk= 70, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 825, 826, 827, 350, 351,
 igr2=1464,1469,1536,
 &end
#
#    53  HIS  HB+    97  TYR  HE        5.5   (#    71:25 Unique)
 &rst
  ixpk= 71, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 808, 809,
 igr2=1464,1469,
 &end
#
#    53  HIS  HB-    97  TYR  HE        7.0   (#    72:25 Unique)
 &rst
  ixpk= 72, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 808, 809,
 igr2=1464,1469,
 &end
#
#     0  AMB  25-2:73  97  TYR  HE        3.5   (#    73:25 Single)
 &rst
  ixpk= 73, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 336, 337, 338, 340, 341, 342, 336, 337, 338, 340,
       341, 342,
 igr2=1464,1469,
 &end
#
#     0  AMB  25-2:74   0  AMB  25-1:74     3.5   (#    74:25 Double)
 &rst
  ixpk= 74, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1500,1501,1502,1448,1449,1450,
 igr2=1536,1464,1469,
 &end
#
#     0  AMB  25-2:75  91  TYR  HE        4.5   (#    75:25 Single)
 &rst
  ixpk= 75, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1190,1191,1190,1191,
 igr2=1377,1382,
 &end
#
#    19  VAL  MGX    91  TYR  HE        4.5   (#    76:25 Unique)
 &rst
  ixpk= 76, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 257, 258, 259, 261, 262, 263,
 igr2=1377,1382,
 &end
#
#     0  AMB  25-2:78  22  TYR  HE        7.0   (#    78:25 Single)
 &rst
  ixpk= 78, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 332,1169, 289,
 igr2= 319, 324,
 &end
#
#    24  LEU  MDY    22  TYR  HE        3.5   (#    80:25 Unique)
 &rst
  ixpk= 80, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 355, 356, 357, 359, 360, 361,
 igr2= 319, 324,
 &end
#
#    49  TRP  HE3    49  TRP  HZ3       7.0   (#    81:25 Unique)
 &rst
  ixpk= 81, nxpk= 25, iat= 753, 751, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    49  TRP  HZ3    49  TRP  HE3       7.0   (#    82:25 Unique)
 &rst
  ixpk= 82, nxpk= 25, iat= 751, 753, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#     0  AMB  25-2:84  28  HIS  HE1       4.5   (#    84:25 Single)
 &rst
  ixpk= 84, nxpk= 25, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 394, 395, 394, 395,
 &end
#
#    26  ARG  HG+    28  HIS  HE1       7.0   (#    85:25 Unique)
 &rst
  ixpk= 85, nxpk= 25, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 391, 392,
 &end
#
#    41  LYS  HN     28  HIS  HE1       7.0   (#    86:25 Unique)
 &rst
  ixpk= 86, nxpk= 25, iat= 588, 434, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   121  ALA  MB     89  HIS  HE1       3.5   (#    87:25 Unique)
 &rst
  ixpk= 87, nxpk= 25, iat=  -1,1344, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1845,1846,1847,
 &end
#
#   119  THR  HB     89  HIS  HE1       5.5   (#    88:25 Unique)
 &rst
  ixpk= 88, nxpk= 25, iat=1807,1344, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   120  TRP  HA     89  HIS  HE1       5.5   (#    90:25 Unique)
 &rst
  ixpk= 90, nxpk= 25, iat=1819,1344, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   120  TRP  HN     89  HIS  HE1       7.0   (#    91:25 Unique)
 &rst
  ixpk= 91, nxpk= 25, iat=1817,1344, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   121  ALA  HN     89  HIS  HE1       7.0   (#    92:25 Unique)
 &rst
  ixpk= 92, nxpk= 25, iat=1841,1344, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#     0  AMB  25-2:93  89  HIS  HE1       5.5   (#    93:25 Single)
 &rst
  ixpk= 93, nxpk= 25, iat=  -1,1344, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1843,1353,
 &end
#
#    28  HIS  HB2    28  HIS  HD2       7.0   (#   107:25 Unique)
 &rst
  ixpk= 107, nxpk= 25, iat= 428, 437, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    28  HIS  HA     28  HIS  HD2       7.0   (#   108:25 Unique)
 &rst
  ixpk= 108, nxpk= 25, iat= 426, 437, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#     0  AMB  25-2:110  52  TYR  HD        7.0   (#   110:25 Single)
 &rst
  ixpk= 110, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 836, 808, 809,
 igr2= 791, 800,
 &end
#
#  chirality for residue 1 atoms:  CA CG HB2 HB3
 &rst iat=5,10,8,9, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 150., rk3=150.,  &end
#
#  chirality for residue 1 atoms:  CB SD HG2 HG3
 &rst iat=7,13,11,12, &end
#
#  chirality for residue 1 atoms:  N C HA CB
 &rst iat=1,18,6,7, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=20,28,23,24, &end
#
#  chirality for residue 3 atoms:  CA CG1 CG2 HB
 &rst iat=32,36,40,35, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=30,44,33,34, &end
#
#  chirality for residue 4 atoms:  N C HA CB
 &rst iat=46,54,49,50, &end
#
#  chirality for residue 5 atoms:  CA CG HB2 HB3
 &rst iat=58,63,61,62, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=56,66,59,60, &end
#
#  chirality for residue 6 atoms:  CA CG HB2 HB3
 &rst iat=70,75,73,74, &end
#
#  chirality for residue 6 atoms:  CB CD1 CD2 HG
 &rst iat=72,77,81,76, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=68,85,71,72, &end
#
#  chirality for residue 7 atoms:  N C HA CB
 &rst iat=87,95,90,91, &end
#
#  chirality for residue 8 atoms:  CA CG HB2 HB3
 &rst iat=99,104,102,103, &end
#
#  chirality for residue 8 atoms:  CB CD1 CD2 HG
 &rst iat=101,106,110,105, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=97,114,100,101, &end
#
#  chirality for residue 9 atoms:  CA CG2 CG1 HB
 &rst iat=118,122,126,121, &end
#
#  chirality for residue 9 atoms:  CB CD1 HG12 HG13
 &rst iat=120,129,127,128, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=116,133,119,120, &end
#
#  chirality for residue 10 atoms:  CA CG HB2 HB3
 &rst iat=145,139,143,144, &end
#
#  chirality for residue 10 atoms:  CB CD HG2 HG3
 &rst iat=142,136,140,141, &end
#
#  chirality for residue 10 atoms:  CG N HD2 HD3
 &rst iat=139,135,137,138, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=135,147,146,142, &end
#
#  chirality for residue 11 atoms:  CA CG HB2 HB3
 &rst iat=151,156,154,155, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=149,159,152,153, &end
#
#  chirality for residue 12 atoms:  CA CG1 CG2 HB
 &rst iat=163,167,171,166, &end
#
#  chirality for residue 12 atoms:  N C HA CB
 &rst iat=161,175,164,165, &end
#
#  chirality for residue 13 atoms:  CA CG HB2 HB3
 &rst iat=179,184,182,183, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=177,187,180,181, &end
#
#  chirality for residue 14 atoms:  CA CG2 CG1 HB
 &rst iat=191,195,199,194, &end
#
#  chirality for residue 14 atoms:  CB CD1 HG12 HG13
 &rst iat=193,202,200,201, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=189,206,192,193, &end
#
#  chirality for residue 15 atoms:  CA CG HB2 HB3
 &rst iat=210,215,213,214, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat=208,218,211,212, &end
#
#  chirality for residue 16 atoms:  CA OG HB2 HB3
 &rst iat=222,227,225,226, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=220,229,223,224, &end
#
#  chirality for residue 17 atoms:  CA CG HB2 HB3
 &rst iat=233,238,236,237, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=231,241,234,235, &end
#
#  chirality for residue 18 atoms:  N C HA2 HA3
 &rst iat=243,248,246,247, &end
#
#  chirality for residue 19 atoms:  CA CG1 CG2 HB
 &rst iat=252,256,260,255, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=250,264,253,254, &end
#
#  chirality for residue 20 atoms:  CA CG HB2 HB3
 &rst iat=268,273,271,272, &end
#
#  chirality for residue 20 atoms:  N C HA CB
 &rst iat=266,284,269,270, &end
#
#  chirality for residue 21 atoms:  CA CG HB2 HB3
 &rst iat=288,293,291,292, &end
#
#  chirality for residue 21 atoms:  CB CD HG2 HG3
 &rst iat=290,296,294,295, &end
#
#  chirality for residue 21 atoms:  CD NZ HE2 HE3
 &rst iat=296,302,300,301, &end
#
#  chirality for residue 21 atoms:  CG CE HD2 HD3
 &rst iat=293,299,297,298, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=286,306,289,290, &end
#
#  chirality for residue 22 atoms:  CA CG HB2 HB3
 &rst iat=310,315,313,314, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=308,327,311,312, &end
#
#  chirality for residue 23 atoms:  CA CG1 CG2 HB
 &rst iat=331,335,339,334, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=329,343,332,333, &end
#
#  chirality for residue 24 atoms:  CA CG HB2 HB3
 &rst iat=347,352,350,351, &end
#
#  chirality for residue 24 atoms:  CB CD1 CD2 HG
 &rst iat=349,354,358,353, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=345,362,348,349, &end
#
#  chirality for residue 25 atoms:  CA CG2 CG1 HB
 &rst iat=366,370,374,369, &end
#
#  chirality for residue 25 atoms:  CB CD1 HG12 HG13
 &rst iat=368,377,375,376, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=364,381,367,368, &end
#
#  chirality for residue 26 atoms:  CA CG HB2 HB3
 &rst iat=385,390,388,389, &end
#
#  chirality for residue 26 atoms:  CB CD HG2 HG3
 &rst iat=387,393,391,392, &end
#
#  chirality for residue 26 atoms:  CG NE HD2 HD3
 &rst iat=390,396,394,395, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=383,405,386,387, &end
#
#  chirality for residue 27 atoms:  CA CG1 CG2 HB
 &rst iat=409,413,417,412, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=407,421,410,411, &end
#
#  chirality for residue 28 atoms:  CA CG HB2 HB3
 &rst iat=425,430,428,429, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat=423,438,426,427, &end
#
#  chirality for residue 29 atoms:  CA OG HB2 HB3
 &rst iat=442,447,445,446, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=440,449,443,444, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=451,459,454,455, &end
#
#  chirality for residue 31 atoms:  CA CG HB2 HB3
 &rst iat=471,465,469,470, &end
#
#  chirality for residue 31 atoms:  CB CD HG2 HG3
 &rst iat=468,462,466,467, &end
#
#  chirality for residue 31 atoms:  CG N HD2 HD3
 &rst iat=465,461,463,464, &end
#
#  chirality for residue 31 atoms:  N C HA CB
 &rst iat=461,473,472,468, &end
#
#  chirality for residue 32 atoms:  CA CG HB2 HB3
 &rst iat=477,482,480,481, &end
#
#  chirality for residue 32 atoms:  CB CD HG2 HG3
 &rst iat=479,485,483,484, &end
#
#  chirality for residue 32 atoms:  CG NE HD2 HD3
 &rst iat=482,488,486,487, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=475,497,478,479, &end
#
#  chirality for residue 33 atoms:  CA OG HB2 HB3
 &rst iat=501,506,504,505, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=499,508,502,503, &end
#
#  chirality for residue 34 atoms:  N C HA2 HA3
 &rst iat=510,515,513,514, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=517,525,520,521, &end
#
#  chirality for residue 36 atoms:  CA CG HB2 HB3
 &rst iat=537,531,535,536, &end
#
#  chirality for residue 36 atoms:  CB CD HG2 HG3
 &rst iat=534,528,532,533, &end
#
#  chirality for residue 36 atoms:  CG N HD2 HD3
 &rst iat=531,527,529,530, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=527,539,538,534, &end
#
#  chirality for residue 37 atoms:  N C HA CB
 &rst iat=541,549,544,545, &end
#
#  chirality for residue 38 atoms:  N C HA CB
 &rst iat=551,559,554,555, &end
#
#  chirality for residue 39 atoms:  CA CG HB2 HB3
 &rst iat=563,568,566,567, &end
#
#  chirality for residue 39 atoms:  CB CD HG2 HG3
 &rst iat=565,571,569,570, &end
#
#  chirality for residue 39 atoms:  N C HA CB
 &rst iat=561,574,564,565, &end
#
#  chirality for residue 40 atoms:  CA OG HB2 HB3
 &rst iat=578,583,581,582, &end
#
#  chirality for residue 40 atoms:  N C HA CB
 &rst iat=576,585,579,580, &end
#
#  chirality for residue 41 atoms:  CA CG HB2 HB3
 &rst iat=589,594,592,593, &end
#
#  chirality for residue 41 atoms:  CB CD HG2 HG3
 &rst iat=591,597,595,596, &end
#
#  chirality for residue 41 atoms:  CD NZ HE2 HE3
 &rst iat=597,603,601,602, &end
#
#  chirality for residue 41 atoms:  CG CE HD2 HD3
 &rst iat=594,600,598,599, &end
#
#  chirality for residue 41 atoms:  N C HA CB
 &rst iat=587,607,590,591, &end
#
#  chirality for residue 42 atoms:  CA CG HB2 HB3
 &rst iat=611,616,614,615, &end
#
#  chirality for residue 42 atoms:  CB CD HG2 HG3
 &rst iat=613,619,617,618, &end
#
#  chirality for residue 42 atoms:  N C HA CB
 &rst iat=609,622,612,613, &end
#
#  chirality for residue 43 atoms:  CA CG2 CG1 HB
 &rst iat=626,630,634,629, &end
#
#  chirality for residue 43 atoms:  CB CD1 HG12 HG13
 &rst iat=628,637,635,636, &end
#
#  chirality for residue 43 atoms:  N C HA CB
 &rst iat=624,641,627,628, &end
#
#  chirality for residue 44 atoms:  CA CG1 CG2 HB
 &rst iat=645,649,653,648, &end
#
#  chirality for residue 44 atoms:  N C HA CB
 &rst iat=643,657,646,647, &end
#
#  chirality for residue 45 atoms:  CA CG HB2 HB3
 &rst iat=661,666,664,665, &end
#
#  chirality for residue 45 atoms:  CB CD HG2 HG3
 &rst iat=663,669,667,668, &end
#
#  chirality for residue 45 atoms:  CG NE HD2 HD3
 &rst iat=666,672,670,671, &end
#
#  chirality for residue 45 atoms:  N C HA CB
 &rst iat=659,681,662,663, &end
#
#  chirality for residue 46 atoms:  N C HA2 HA3
 &rst iat=683,688,686,687, &end
#
#  chirality for residue 47 atoms:  CA CG HB2 HB3
 &rst iat=692,697,695,696, &end
#
#  chirality for residue 47 atoms:  N C HA CB
 &rst iat=690,709,693,694, &end
#
#  chirality for residue 48 atoms:  CA CG HB2 HB3
 &rst iat=713,718,716,717, &end
#
#  chirality for residue 48 atoms:  CB CD HG2 HG3
 &rst iat=715,721,719,720, &end
#
#  chirality for residue 48 atoms:  CD NZ HE2 HE3
 &rst iat=721,727,725,726, &end
#
#  chirality for residue 48 atoms:  CG CE HD2 HD3
 &rst iat=718,724,722,723, &end
#
#  chirality for residue 48 atoms:  N C HA CB
 &rst iat=711,731,714,715, &end
#
#  chirality for residue 49 atoms:  CA CG HB2 HB3
 &rst iat=735,740,738,739, &end
#
#  chirality for residue 49 atoms:  N C HA CB
 &rst iat=733,755,736,737, &end
#
#  chirality for residue 50 atoms:  N C HA CB
 &rst iat=757,765,760,761, &end
#
#  chirality for residue 51 atoms:  CA CG HB2 HB3
 &rst iat=769,774,772,773, &end
#
#  chirality for residue 51 atoms:  CB CD HG2 HG3
 &rst iat=771,777,775,776, &end
#
#  chirality for residue 51 atoms:  N C HA CB
 &rst iat=767,780,770,771, &end
#
#  chirality for residue 52 atoms:  CA CG HB2 HB3
 &rst iat=784,789,787,788, &end
#
#  chirality for residue 52 atoms:  N C HA CB
 &rst iat=782,801,785,786, &end
#
#  chirality for residue 53 atoms:  CA CG HB2 HB3
 &rst iat=805,810,808,809, &end
#
#  chirality for residue 53 atoms:  N C HA CB
 &rst iat=803,818,806,807, &end
#
#  chirality for residue 54 atoms:  N C HA CB
 &rst iat=820,828,823,824, &end
#
#  chirality for residue 55 atoms:  CA CG HB2 HB3
 &rst iat=832,837,835,836, &end
#
#  chirality for residue 55 atoms:  N C HA CB
 &rst iat=830,840,833,834, &end
#
#  chirality for residue 56 atoms:  CA CG2 CG1 HB
 &rst iat=844,848,852,847, &end
#
#  chirality for residue 56 atoms:  CB CD1 HG12 HG13
 &rst iat=846,855,853,854, &end
#
#  chirality for residue 56 atoms:  N C HA CB
 &rst iat=842,859,845,846, &end
#
#  chirality for residue 57 atoms:  CA CG HB2 HB3
 &rst iat=863,868,866,867, &end
#
#  chirality for residue 57 atoms:  N C HA CB
 &rst iat=861,880,864,865, &end
#
#  chirality for residue 58 atoms:  CA CG HB2 HB3
 &rst iat=884,889,887,888, &end
#
#  chirality for residue 58 atoms:  N C HA CB
 &rst iat=882,892,885,886, &end
#
#  chirality for residue 59 atoms:  CA CG HB2 HB3
 &rst iat=896,901,899,900, &end
#
#  chirality for residue 59 atoms:  CB CD HG2 HG3
 &rst iat=898,904,902,903, &end
#
#  chirality for residue 59 atoms:  CD NZ HE2 HE3
 &rst iat=904,910,908,909, &end
#
#  chirality for residue 59 atoms:  CG CE HD2 HD3
 &rst iat=901,907,905,906, &end
#
#  chirality for residue 59 atoms:  N C HA CB
 &rst iat=894,914,897,898, &end
#
#  chirality for residue 60 atoms:  CA CG1 CG2 HB
 &rst iat=918,922,926,921, &end
#
#  chirality for residue 60 atoms:  N C HA CB
 &rst iat=916,930,919,920, &end
#
#  chirality for residue 61 atoms:  CA OG HB2 HB3
 &rst iat=934,939,937,938, &end
#
#  chirality for residue 61 atoms:  N C HA CB
 &rst iat=932,941,935,936, &end
#
#  chirality for residue 62 atoms:  N C HA2 HA3
 &rst iat=943,948,946,947, &end
#
#  chirality for residue 63 atoms:  CA CG HB2 HB3
 &rst iat=952,957,955,956, &end
#
#  chirality for residue 63 atoms:  N C HA CB
 &rst iat=950,960,953,954, &end
#
#  chirality for residue 64 atoms:  CA CG HB2 HB3
 &rst iat=964,969,967,968, &end
#
#  chirality for residue 64 atoms:  CB SD HG2 HG3
 &rst iat=966,972,970,971, &end
#
#  chirality for residue 64 atoms:  N C HA CB
 &rst iat=962,977,965,966, &end
#
#  chirality for residue 65 atoms:  CA CG HB2 HB3
 &rst iat=981,986,984,985, &end
#
#  chirality for residue 65 atoms:  CB CD HG2 HG3
 &rst iat=983,989,987,988, &end
#
#  chirality for residue 65 atoms:  N C HA CB
 &rst iat=979,994,982,983, &end
#
#  chirality for residue 66 atoms:  CA CG HB2 HB3
 &rst iat=998,1003,1001,1002, &end
#
#  chirality for residue 66 atoms:  CB CD HG2 HG3
 &rst iat=1000,1006,1004,1005, &end
#
#  chirality for residue 66 atoms:  CD NZ HE2 HE3
 &rst iat=1006,1012,1010,1011, &end
#
#  chirality for residue 66 atoms:  CG CE HD2 HD3
 &rst iat=1003,1009,1007,1008, &end
#
#  chirality for residue 66 atoms:  N C HA CB
 &rst iat=996,1016,999,1000, &end
#
#  chirality for residue 67 atoms:  CA CG HB2 HB3
 &rst iat=1020,1025,1023,1024, &end
#
#  chirality for residue 67 atoms:  CB CD HG2 HG3
 &rst iat=1022,1028,1026,1027, &end
#
#  chirality for residue 67 atoms:  N C HA CB
 &rst iat=1018,1033,1021,1022, &end
#
#  chirality for residue 68 atoms:  N C HA2 HA3
 &rst iat=1035,1040,1038,1039, &end
#
#  chirality for residue 69 atoms:  CA SG HB2 HB3
 &rst iat=1044,1049,1047,1048, &end
#
#  chirality for residue 69 atoms:  N C HA CB
 &rst iat=1042,1051,1045,1046, &end
#
#  chirality for residue 70 atoms:  CA CG HB2 HB3
 &rst iat=1055,1060,1058,1059, &end
#
#  chirality for residue 70 atoms:  N C HA CB
 &rst iat=1053,1063,1056,1057, &end
#
#  chirality for residue 71 atoms:  CA SG HB2 HB3
 &rst iat=1067,1072,1070,1071, &end
#
#  chirality for residue 71 atoms:  N C HA CB
 &rst iat=1065,1074,1068,1069, &end
#
#  chirality for residue 72 atoms:  CA CG HB2 HB3
 &rst iat=1078,1083,1081,1082, &end
#
#  chirality for residue 72 atoms:  CB CD HG2 HG3
 &rst iat=1080,1086,1084,1085, &end
#
#  chirality for residue 72 atoms:  N C HA CB
 &rst iat=1076,1089,1079,1080, &end
#
#  chirality for residue 73 atoms:  CA SG HB2 HB3
 &rst iat=1093,1098,1096,1097, &end
#
#  chirality for residue 73 atoms:  N C HA CB
 &rst iat=1091,1100,1094,1095, &end
#
#  chirality for residue 74 atoms:  CA CG HB2 HB3
 &rst iat=1104,1109,1107,1108, &end
#
#  chirality for residue 74 atoms:  CB CD1 CD2 HG
 &rst iat=1106,1111,1115,1110, &end
#
#  chirality for residue 74 atoms:  N C HA CB
 &rst iat=1102,1119,1105,1106, &end
#
#  chirality for residue 75 atoms:  N C HA2 HA3
 &rst iat=1121,1126,1124,1125, &end
#
#  chirality for residue 76 atoms:  N C HA2 HA3
 &rst iat=1128,1133,1131,1132, &end
#
#  chirality for residue 77 atoms:  N C HA2 HA3
 &rst iat=1135,1140,1138,1139, &end
#
#  chirality for residue 78 atoms:  CA CG HB2 HB3
 &rst iat=1144,1149,1147,1148, &end
#
#  chirality for residue 78 atoms:  CB CD HG2 HG3
 &rst iat=1146,1152,1150,1151, &end
#
#  chirality for residue 78 atoms:  CG NE HD2 HD3
 &rst iat=1149,1155,1153,1154, &end
#
#  chirality for residue 78 atoms:  N C HA CB
 &rst iat=1142,1164,1145,1146, &end
#
#  chirality for residue 79 atoms:  CA CG2 CG1 HB
 &rst iat=1168,1172,1176,1171, &end
#
#  chirality for residue 79 atoms:  CB CD1 HG12 HG13
 &rst iat=1170,1179,1177,1178, &end
#
#  chirality for residue 79 atoms:  N C HA CB
 &rst iat=1166,1183,1169,1170, &end
#
#  chirality for residue 80 atoms:  CA OG HB2 HB3
 &rst iat=1187,1192,1190,1191, &end
#
#  chirality for residue 80 atoms:  N C HA CB
 &rst iat=1185,1194,1188,1189, &end
#
#  chirality for residue 81 atoms:  CA CG HB2 HB3
 &rst iat=1198,1203,1201,1202, &end
#
#  chirality for residue 81 atoms:  N C HA CB
 &rst iat=1196,1211,1199,1200, &end
#
#  chirality for residue 82 atoms:  CA CG HB2 HB3
 &rst iat=1215,1220,1218,1219, &end
#
#  chirality for residue 82 atoms:  CB CD HG2 HG3
 &rst iat=1217,1223,1221,1222, &end
#
#  chirality for residue 82 atoms:  N C HA CB
 &rst iat=1213,1228,1216,1217, &end
#
#  chirality for residue 83 atoms:  CA OG HB2 HB3
 &rst iat=1232,1237,1235,1236, &end
#
#  chirality for residue 83 atoms:  N C HA CB
 &rst iat=1230,1239,1233,1234, &end
#
#  chirality for residue 84 atoms:  CA CG HB2 HB3
 &rst iat=1243,1248,1246,1247, &end
#
#  chirality for residue 84 atoms:  CB CD HG2 HG3
 &rst iat=1245,1251,1249,1250, &end
#
#  chirality for residue 84 atoms:  N C HA CB
 &rst iat=1241,1256,1244,1245, &end
#
#  chirality for residue 85 atoms:  CA CG HB2 HB3
 &rst iat=1260,1265,1263,1264, &end
#
#  chirality for residue 85 atoms:  N C HA CB
 &rst iat=1258,1268,1261,1262, &end
#
#  chirality for residue 86 atoms:  CA CG HB2 HB3
 &rst iat=1272,1277,1275,1276, &end
#
#  chirality for residue 86 atoms:  CB CD HG2 HG3
 &rst iat=1274,1280,1278,1279, &end
#
#  chirality for residue 86 atoms:  CD NZ HE2 HE3
 &rst iat=1280,1286,1284,1285, &end
#
#  chirality for residue 86 atoms:  CG CE HD2 HD3
 &rst iat=1277,1283,1281,1282, &end
#
#  chirality for residue 86 atoms:  N C HA CB
 &rst iat=1270,1290,1273,1274, &end
#
#  chirality for residue 87 atoms:  CA CG HB2 HB3
 &rst iat=1294,1299,1297,1298, &end
#
#  chirality for residue 87 atoms:  CB CD HG2 HG3
 &rst iat=1296,1302,1300,1301, &end
#
#  chirality for residue 87 atoms:  CD NZ HE2 HE3
 &rst iat=1302,1308,1306,1307, &end
#
#  chirality for residue 87 atoms:  CG CE HD2 HD3
 &rst iat=1299,1305,1303,1304, &end
#
#  chirality for residue 87 atoms:  N C HA CB
 &rst iat=1292,1312,1295,1296, &end
#
#  chirality for residue 88 atoms:  CA CG2 CG1 HB
 &rst iat=1316,1320,1324,1319, &end
#
#  chirality for residue 88 atoms:  CB CD1 HG12 HG13
 &rst iat=1318,1327,1325,1326, &end
#
#  chirality for residue 88 atoms:  N C HA CB
 &rst iat=1314,1331,1317,1318, &end
#
#  chirality for residue 89 atoms:  CA CG HB2 HB3
 &rst iat=1335,1340,1338,1339, &end
#
#  chirality for residue 89 atoms:  N C HA CB
 &rst iat=1333,1348,1336,1337, &end
#
#  chirality for residue 90 atoms:  CA CG1 CG2 HB
 &rst iat=1352,1356,1360,1355, &end
#
#  chirality for residue 90 atoms:  N C HA CB
 &rst iat=1350,1364,1353,1354, &end
#
#  chirality for residue 91 atoms:  CA CG HB2 HB3
 &rst iat=1368,1373,1371,1372, &end
#
#  chirality for residue 91 atoms:  N C HA CB
 &rst iat=1366,1385,1369,1370, &end
#
#  chirality for residue 92 atoms:  N C HA2 HA3
 &rst iat=1387,1392,1390,1391, &end
#
#  chirality for residue 93 atoms:  CA CG HB2 HB3
 &rst iat=1396,1401,1399,1400, &end
#
#  chirality for residue 93 atoms:  N C HA CB
 &rst iat=1394,1413,1397,1398, &end
#
#  chirality for residue 94 atoms:  CA OG HB2 HB3
 &rst iat=1417,1422,1420,1421, &end
#
#  chirality for residue 94 atoms:  N C HA CB
 &rst iat=1415,1424,1418,1419, &end
#
#  chirality for residue 95 atoms:  CA CG HB2 HB3
 &rst iat=1428,1433,1431,1432, &end
#
#  chirality for residue 95 atoms:  CB SD HG2 HG3
 &rst iat=1430,1436,1434,1435, &end
#
#  chirality for residue 95 atoms:  N C HA CB
 &rst iat=1426,1441,1429,1430, &end
#
#  chirality for residue 96 atoms:  N C HA CB
 &rst iat=1443,1451,1446,1447, &end
#
#  chirality for residue 97 atoms:  CA CG HB2 HB3
 &rst iat=1455,1460,1458,1459, &end
#
#  chirality for residue 97 atoms:  N C HA CB
 &rst iat=1453,1472,1456,1457, &end
#
#  chirality for residue 98 atoms:  N C HA2 HA3
 &rst iat=1474,1479,1477,1478, &end
#
#  chirality for residue 99 atoms:  CA CG HB2 HB3
 &rst iat=1491,1485,1489,1490, &end
#
#  chirality for residue 99 atoms:  CB CD HG2 HG3
 &rst iat=1488,1482,1486,1487, &end
#
#  chirality for residue 99 atoms:  CG N HD2 HD3
 &rst iat=1485,1481,1483,1484, &end
#
#  chirality for residue 99 atoms:  N C HA CB
 &rst iat=1481,1493,1492,1488, &end
#
#  chirality for residue 100 atoms:  N C HA CB
 &rst iat=1495,1503,1498,1499, &end
#
#  chirality for residue 101 atoms:  CA CG HB2 HB3
 &rst iat=1507,1512,1510,1511, &end
#
#  chirality for residue 101 atoms:  CB CD HG2 HG3
 &rst iat=1509,1515,1513,1514, &end
#
#  chirality for residue 101 atoms:  N C HA CB
 &rst iat=1505,1520,1508,1509, &end
#
#  chirality for residue 102 atoms:  CA CG HB2 HB3
 &rst iat=1524,1529,1527,1528, &end
#
#  chirality for residue 102 atoms:  N C HA CB
 &rst iat=1522,1537,1525,1526, &end
#
#  chirality for residue 103 atoms:  N C HA CB
 &rst iat=1539,1547,1542,1543, &end
#
#  chirality for residue 104 atoms:  CA CG2 CG1 HB
 &rst iat=1551,1555,1559,1554, &end
#
#  chirality for residue 104 atoms:  CB CD1 HG12 HG13
 &rst iat=1553,1562,1560,1561, &end
#
#  chirality for residue 104 atoms:  N C HA CB
 &rst iat=1549,1566,1552,1553, &end
#
#  chirality for residue 105 atoms:  CA OG HB2 HB3
 &rst iat=1570,1575,1573,1574, &end
#
#  chirality for residue 105 atoms:  N C HA CB
 &rst iat=1568,1577,1571,1572, &end
#
#  chirality for residue 106 atoms:  CA CG2 OG1 HB
 &rst iat=1581,1585,1589,1584, &end
#
#  chirality for residue 106 atoms:  N C HA CB
 &rst iat=1579,1591,1582,1583, &end
#
#  chirality for residue 107 atoms:  CA CG HB2 HB3
 &rst iat=1595,1600,1598,1599, &end
#
#  chirality for residue 107 atoms:  CB CD HG2 HG3
 &rst iat=1597,1603,1601,1602, &end
#
#  chirality for residue 107 atoms:  N C HA CB
 &rst iat=1593,1606,1596,1597, &end
#
#  chirality for residue 108 atoms:  CA CG HB2 HB3
 &rst iat=1610,1615,1613,1614, &end
#
#  chirality for residue 108 atoms:  CB CD HG2 HG3
 &rst iat=1612,1618,1616,1617, &end
#
#  chirality for residue 108 atoms:  CD NZ HE2 HE3
 &rst iat=1618,1624,1622,1623, &end
#
#  chirality for residue 108 atoms:  CG CE HD2 HD3
 &rst iat=1615,1621,1619,1620, &end
#
#  chirality for residue 108 atoms:  N C HA CB
 &rst iat=1608,1628,1611,1612, &end
#
#  chirality for residue 109 atoms:  CA CG2 CG1 HB
 &rst iat=1632,1636,1640,1635, &end
#
#  chirality for residue 109 atoms:  CB CD1 HG12 HG13
 &rst iat=1634,1643,1641,1642, &end
#
#  chirality for residue 109 atoms:  N C HA CB
 &rst iat=1630,1647,1633,1634, &end
#
#  chirality for residue 110 atoms:  CA CG HB2 HB3
 &rst iat=1651,1656,1654,1655, &end
#
#  chirality for residue 110 atoms:  CB CD HG2 HG3
 &rst iat=1653,1659,1657,1658, &end
#
#  chirality for residue 110 atoms:  CD NZ HE2 HE3
 &rst iat=1659,1665,1663,1664, &end
#
#  chirality for residue 110 atoms:  CG CE HD2 HD3
 &rst iat=1656,1662,1660,1661, &end
#
#  chirality for residue 110 atoms:  N C HA CB
 &rst iat=1649,1669,1652,1653, &end
#
#  chirality for residue 111 atoms:  N C HA CB
 &rst iat=1671,1679,1674,1675, &end
#
#  chirality for residue 112 atoms:  CA CG HB2 HB3
 &rst iat=1683,1688,1686,1687, &end
#
#  chirality for residue 112 atoms:  CB CD HG2 HG3
 &rst iat=1685,1691,1689,1690, &end
#
#  chirality for residue 112 atoms:  CD NZ HE2 HE3
 &rst iat=1691,1697,1695,1696, &end
#
#  chirality for residue 112 atoms:  CG CE HD2 HD3
 &rst iat=1688,1694,1692,1693, &end
#
#  chirality for residue 112 atoms:  N C HA CB
 &rst iat=1681,1701,1684,1685, &end
#
#  chirality for residue 113 atoms:  CA CG HB2 HB3
 &rst iat=1705,1710,1708,1709, &end
#
#  chirality for residue 113 atoms:  N C HA CB
 &rst iat=1703,1722,1706,1707, &end
#
#  chirality for residue 114 atoms:  CA CG HB2 HB3
 &rst iat=1734,1728,1732,1733, &end
#
#  chirality for residue 114 atoms:  CB CD HG2 HG3
 &rst iat=1731,1725,1729,1730, &end
#
#  chirality for residue 114 atoms:  CG N HD2 HD3
 &rst iat=1728,1724,1726,1727, &end
#
#  chirality for residue 114 atoms:  N C HA CB
 &rst iat=1724,1736,1735,1731, &end
#
#  chirality for residue 115 atoms:  CA CG HB2 HB3
 &rst iat=1740,1745,1743,1744, &end
#
#  chirality for residue 115 atoms:  N C HA CB
 &rst iat=1738,1748,1741,1742, &end
#
#  chirality for residue 116 atoms:  CA CG HB2 HB3
 &rst iat=1752,1757,1755,1756, &end
#
#  chirality for residue 116 atoms:  N C HA CB
 &rst iat=1750,1769,1753,1754, &end
#
#  chirality for residue 117 atoms:  CA CG HB2 HB3
 &rst iat=1773,1778,1776,1777, &end
#
#  chirality for residue 117 atoms:  CB CD HG2 HG3
 &rst iat=1775,1781,1779,1780, &end
#
#  chirality for residue 117 atoms:  N C HA CB
 &rst iat=1771,1784,1774,1775, &end
#
#  chirality for residue 118 atoms:  CA CG1 CG2 HB
 &rst iat=1788,1792,1796,1791, &end
#
#  chirality for residue 118 atoms:  N C HA CB
 &rst iat=1786,1800,1789,1790, &end
#
#  chirality for residue 119 atoms:  CA CG2 OG1 HB
 &rst iat=1804,1808,1812,1807, &end
#
#  chirality for residue 119 atoms:  N C HA CB
 &rst iat=1802,1814,1805,1806, &end
#
#  chirality for residue 120 atoms:  CA CG HB2 HB3
 &rst iat=1818,1823,1821,1822, &end
#
#  chirality for residue 120 atoms:  N C HA CB
 &rst iat=1816,1838,1819,1820, &end
#
#  chirality for residue 121 atoms:  N C HA CB
 &rst iat=1840,1848,1843,1844, &end
#
#  chirality for residue 122 atoms:  CA CG HB2 HB3
 &rst iat=1852,1857,1855,1856, &end
#
#  chirality for residue 122 atoms:  N C HA CB
 &rst iat=1850,1862,1853,1854, &end
#
#  chirality for residue 123 atoms:  CA CG HB2 HB3
 &rst iat=1866,1871,1869,1870, &end
#
#  chirality for residue 123 atoms:  N C HA CB
 &rst iat=1864,1874,1867,1868, &end
#
#  chirality for residue 124 atoms:  N C HA2 HA3
 &rst iat=1876,1881,1879,1880, &end
#
#  chirality for residue 125 atoms:  CA CG HB2 HB3
 &rst iat=1885,1890,1888,1889, &end
#
#  chirality for residue 125 atoms:  N C HA CB
 &rst iat=1883,1902,1886,1887, &end
#
#  trans-omega constraint for residue 2
 &rst iat=22,20,18,5, 
   r1=150., r2=170., r3=190., r4=210., rk2 = 150., rk3=150.,  &end
#
#  trans-omega constraint for residue 3
 &rst iat=32,30,28,22, &end
#
#  trans-omega constraint for residue 4
 &rst iat=48,46,44,32, &end
#
#  trans-omega constraint for residue 5
 &rst iat=58,56,54,48, &end
#
#  trans-omega constraint for residue 6
 &rst iat=70,68,66,58, &end
#
#  trans-omega constraint for residue 7
 &rst iat=89,87,85,70, &end
#
#  trans-omega constraint for residue 8
 &rst iat=99,97,95,89, &end
#
#  trans-omega constraint for residue 9
 &rst iat=118,116,114,99, &end
#
#  trans-omega constraint for residue 10
 &rst iat=145,135,133,118, &end
#
#  trans-omega constraint for residue 11
 &rst iat=151,149,147,145, &end
#
#  trans-omega constraint for residue 12
 &rst iat=163,161,159,151, &end
#
#  trans-omega constraint for residue 13
 &rst iat=179,177,175,163, &end
#
#  trans-omega constraint for residue 14
 &rst iat=191,189,187,179, &end
#
#  trans-omega constraint for residue 15
 &rst iat=210,208,206,191, &end
#
#  trans-omega constraint for residue 16
 &rst iat=222,220,218,210, &end
#
#  trans-omega constraint for residue 17
 &rst iat=233,231,229,222, &end
#
#  trans-omega constraint for residue 18
 &rst iat=245,243,241,233, &end
#
#  trans-omega constraint for residue 19
 &rst iat=252,250,248,245, &end
#
#  trans-omega constraint for residue 20
 &rst iat=268,266,264,252, &end
#
#  trans-omega constraint for residue 21
 &rst iat=288,286,284,268, &end
#
#  trans-omega constraint for residue 22
 &rst iat=310,308,306,288, &end
#
#  trans-omega constraint for residue 23
 &rst iat=331,329,327,310, &end
#
#  trans-omega constraint for residue 24
 &rst iat=347,345,343,331, &end
#
#  trans-omega constraint for residue 25
 &rst iat=366,364,362,347, &end
#
#  trans-omega constraint for residue 26
 &rst iat=385,383,381,366, &end
#
#  trans-omega constraint for residue 27
 &rst iat=409,407,405,385, &end
#
#  trans-omega constraint for residue 28
 &rst iat=425,423,421,409, &end
#
#  trans-omega constraint for residue 29
 &rst iat=442,440,438,425, &end
#
#  trans-omega constraint for residue 30
 &rst iat=453,451,449,442, &end
#
#  trans-omega constraint for residue 31
 &rst iat=471,461,459,453, &end
#
#  trans-omega constraint for residue 32
 &rst iat=477,475,473,471, &end
#
#  trans-omega constraint for residue 33
 &rst iat=501,499,497,477, &end
#
#  trans-omega constraint for residue 34
 &rst iat=512,510,508,501, &end
#
#  trans-omega constraint for residue 35
 &rst iat=519,517,515,512, &end
#
#  trans-omega constraint for residue 36
 &rst iat=537,527,525,519, &end
#
#  trans-omega constraint for residue 37
 &rst iat=543,541,539,537, &end
#
#  trans-omega constraint for residue 38
 &rst iat=553,551,549,543, &end
#
#  trans-omega constraint for residue 39
 &rst iat=563,561,559,553, &end
#
#  trans-omega constraint for residue 40
 &rst iat=578,576,574,563, &end
#
#  trans-omega constraint for residue 41
 &rst iat=589,587,585,578, &end
#
#  trans-omega constraint for residue 42
 &rst iat=611,609,607,589, &end
#
#  trans-omega constraint for residue 43
 &rst iat=626,624,622,611, &end
#
#  trans-omega constraint for residue 44
 &rst iat=645,643,641,626, &end
#
#  trans-omega constraint for residue 45
 &rst iat=661,659,657,645, &end
#
#  trans-omega constraint for residue 46
 &rst iat=685,683,681,661, &end
#
#  trans-omega constraint for residue 47
 &rst iat=692,690,688,685, &end
#
#  trans-omega constraint for residue 48
 &rst iat=713,711,709,692, &end
#
#  trans-omega constraint for residue 49
 &rst iat=735,733,731,713, &end
#
#  trans-omega constraint for residue 50
 &rst iat=759,757,755,735, &end
#
#  trans-omega constraint for residue 51
 &rst iat=769,767,765,759, &end
#
#  trans-omega constraint for residue 52
 &rst iat=784,782,780,769, &end
#
#  trans-omega constraint for residue 53
 &rst iat=805,803,801,784, &end
#
#  trans-omega constraint for residue 54
 &rst iat=822,820,818,805, &end
#
#  trans-omega constraint for residue 55
 &rst iat=832,830,828,822, &end
#
#  trans-omega constraint for residue 56
 &rst iat=844,842,840,832, &end
#
#  trans-omega constraint for residue 57
 &rst iat=863,861,859,844, &end
#
#  trans-omega constraint for residue 58
 &rst iat=884,882,880,863, &end
#
#  trans-omega constraint for residue 59
 &rst iat=896,894,892,884, &end
#
#  trans-omega constraint for residue 60
 &rst iat=918,916,914,896, &end
#
#  trans-omega constraint for residue 61
 &rst iat=934,932,930,918, &end
#
#  trans-omega constraint for residue 62
 &rst iat=945,943,941,934, &end
#
#  trans-omega constraint for residue 63
 &rst iat=952,950,948,945, &end
#
#  trans-omega constraint for residue 64
 &rst iat=964,962,960,952, &end
#
#  trans-omega constraint for residue 65
 &rst iat=981,979,977,964, &end
#
#  trans-omega constraint for residue 66
 &rst iat=998,996,994,981, &end
#
#  trans-omega constraint for residue 67
 &rst iat=1020,1018,1016,998, &end
#
#  trans-omega constraint for residue 68
 &rst iat=1037,1035,1033,1020, &end
#
#  trans-omega constraint for residue 69
 &rst iat=1044,1042,1040,1037, &end
#
#  trans-omega constraint for residue 70
 &rst iat=1055,1053,1051,1044, &end
#
#  trans-omega constraint for residue 71
 &rst iat=1067,1065,1063,1055, &end
#
#  trans-omega constraint for residue 72
 &rst iat=1078,1076,1074,1067, &end
#
#  trans-omega constraint for residue 73
 &rst iat=1093,1091,1089,1078, &end
#
#  trans-omega constraint for residue 74
 &rst iat=1104,1102,1100,1093, &end
#
#  trans-omega constraint for residue 75
 &rst iat=1123,1121,1119,1104, &end
#
#  trans-omega constraint for residue 76
 &rst iat=1130,1128,1126,1123, &end
#
#  trans-omega constraint for residue 77
 &rst iat=1137,1135,1133,1130, &end
#
#  trans-omega constraint for residue 78
 &rst iat=1144,1142,1140,1137, &end
#
#  trans-omega constraint for residue 79
 &rst iat=1168,1166,1164,1144, &end
#
#  trans-omega constraint for residue 80
 &rst iat=1187,1185,1183,1168, &end
#
#  trans-omega constraint for residue 81
 &rst iat=1198,1196,1194,1187, &end
#
#  trans-omega constraint for residue 82
 &rst iat=1215,1213,1211,1198, &end
#
#  trans-omega constraint for residue 83
 &rst iat=1232,1230,1228,1215, &end
#
#  trans-omega constraint for residue 84
 &rst iat=1243,1241,1239,1232, &end
#
#  trans-omega constraint for residue 85
 &rst iat=1260,1258,1256,1243, &end
#
#  trans-omega constraint for residue 86
 &rst iat=1272,1270,1268,1260, &end
#
#  trans-omega constraint for residue 87
 &rst iat=1294,1292,1290,1272, &end
#
#  trans-omega constraint for residue 88
 &rst iat=1316,1314,1312,1294, &end
#
#  trans-omega constraint for residue 89
 &rst iat=1335,1333,1331,1316, &end
#
#  trans-omega constraint for residue 90
 &rst iat=1352,1350,1348,1335, &end
#
#  trans-omega constraint for residue 91
 &rst iat=1368,1366,1364,1352, &end
#
#  trans-omega constraint for residue 92
 &rst iat=1389,1387,1385,1368, &end
#
#  trans-omega constraint for residue 93
 &rst iat=1396,1394,1392,1389, &end
#
#  trans-omega constraint for residue 94
 &rst iat=1417,1415,1413,1396, &end
#
#  trans-omega constraint for residue 95
 &rst iat=1428,1426,1424,1417, &end
#
#  trans-omega constraint for residue 96
 &rst iat=1445,1443,1441,1428, &end
#
#  trans-omega constraint for residue 97
 &rst iat=1455,1453,1451,1445, &end
#
#  trans-omega constraint for residue 98
 &rst iat=1476,1474,1472,1455, &end
#
#  trans-omega constraint for residue 99
 &rst iat=1491,1481,1479,1476, &end
#
#  trans-omega constraint for residue 100
 &rst iat=1497,1495,1493,1491, &end
#
#  trans-omega constraint for residue 101
 &rst iat=1507,1505,1503,1497, &end
#
#  trans-omega constraint for residue 102
 &rst iat=1524,1522,1520,1507, &end
#
#  trans-omega constraint for residue 103
 &rst iat=1541,1539,1537,1524, &end
#
#  trans-omega constraint for residue 104
 &rst iat=1551,1549,1547,1541, &end
#
#  trans-omega constraint for residue 105
 &rst iat=1570,1568,1566,1551, &end
#
#  trans-omega constraint for residue 106
 &rst iat=1581,1579,1577,1570, &end
#
#  trans-omega constraint for residue 107
 &rst iat=1595,1593,1591,1581, &end
#
#  trans-omega constraint for residue 108
 &rst iat=1610,1608,1606,1595, &end
#
#  trans-omega constraint for residue 109
 &rst iat=1632,1630,1628,1610, &end
#
#  trans-omega constraint for residue 110
 &rst iat=1651,1649,1647,1632, &end
#
#  trans-omega constraint for residue 111
 &rst iat=1673,1671,1669,1651, &end
#
#  trans-omega constraint for residue 112
 &rst iat=1683,1681,1679,1673, &end
#
#  trans-omega constraint for residue 113
 &rst iat=1705,1703,1701,1683, &end
#
#  trans-omega constraint for residue 114
 &rst iat=1734,1724,1722,1705, &end
#
#  trans-omega constraint for residue 115
 &rst iat=1740,1738,1736,1734, &end
#
#  trans-omega constraint for residue 116
 &rst iat=1752,1750,1748,1740, &end
#
#  trans-omega constraint for residue 117
 &rst iat=1773,1771,1769,1752, &end
#
#  trans-omega constraint for residue 118
 &rst iat=1788,1786,1784,1773, &end
#
#  trans-omega constraint for residue 119
 &rst iat=1804,1802,1800,1788, &end
#
#  trans-omega constraint for residue 120
 &rst iat=1818,1816,1814,1804, &end
#
#  trans-omega constraint for residue 121
 &rst iat=1842,1840,1838,1818, &end
#
#  trans-omega constraint for residue 122
 &rst iat=1852,1850,1848,1842, &end
#
#  trans-omega constraint for residue 123
 &rst iat=1866,1864,1862,1852, &end
#
#  trans-omega constraint for residue 124
 &rst iat=1878,1876,1874,1866, &end
#
#  trans-omega constraint for residue 125
 &rst iat=1885,1883,1881,1878, &end
#
#   106  THR  HN    106  THR  HB        4.5   (#     0:20 Unique)
 &rst
  ixpk= 0, nxpk= 20, iat=1580,1584, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
#   107  GLU  HN    106  THR  HB        4.5   (#     1:20 Unique)
 &rst
  ixpk= 1, nxpk= 20, iat=1594,1584, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   106  THR  MG2   106  THR  HB        3.5   (#     2:20 Unique)
 &rst
  ixpk= 2, nxpk= 20, iat=  -1,1584, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1586,1587,1588,
 &end
#
#   118  VAL  MGY   106  THR  HB        3.5   (#     3:20 Unique)
 &rst
  ixpk= 3, nxpk= 20, iat=  -1,1584, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1793,1794,1795,1797,1798,1799,
 &end
#
#   107  GLU  HN    106  THR  HA        5.5   (#     4:20 Unique)
 &rst
  ixpk= 4, nxpk= 20, iat=1594,1582, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   109  ILE  HB    106  THR  HA        3.5   (#     5:20 Unique)
 &rst
  ixpk= 5, nxpk= 20, iat=1635,1582, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   106  THR  MG2   106  THR  HA        3.5   (#     6:20 Unique)
 &rst
  ixpk= 6, nxpk= 20, iat=  -1,1582, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1586,1587,1588,
 &end
#
#   118  VAL  MGY   106  THR  HA        3.5   (#     7:20 Unique)
 &rst
  ixpk= 7, nxpk= 20, iat=  -1,1582, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1793,1794,1795,1797,1798,1799,
 &end
#
#   109  ILE  QD1   106  THR  HA        4.5   (#     8:20 Unique)
 &rst
  ixpk= 8, nxpk= 20, iat=  -1,1582, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1644,1645,1646,
 &end
#
#   106  THR  HN    106  THR  HA        4.5   (#     9:20 Unique)
 &rst
  ixpk= 9, nxpk= 20, iat=1580,1582, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    40  SER  HA     40  SER  HB3       3.5   (#    10:20 Unique)
 &rst
  ixpk= 10, nxpk= 20, iat= 579, 582, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    28  HIS  HA     40  SER  HB3       4.5   (#    11:20 Unique)
 &rst
  ixpk= 11, nxpk= 20, iat= 426, 582, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    41  LYS  HN     40  SER  HB3       3.5   (#    12:20 Unique)
 &rst
  ixpk= 12, nxpk= 20, iat= 588, 582, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    28  HIS  HA     40  SER  HB2       5.5   (#    13:20 Unique)
 &rst
  ixpk= 13, nxpk= 20, iat= 426, 581, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    41  LYS  HN     40  SER  HB2       3.5   (#    14:20 Unique)
 &rst
  ixpk= 14, nxpk= 20, iat= 588, 581, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    40  SER  HA     40  SER  HB2       3.5   (#    15:20 Unique)
 &rst
  ixpk= 15, nxpk= 20, iat= 579, 581, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  20-2:16 109  ILE  HA        2.8   (#    16:20 Single)
 &rst
  ixpk= 16, nxpk= 20, iat=  -1,1633, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 168, 169, 170, 172, 173, 174,1637,1638,1639,
 &end
#
#    60  VAL  MGY    60  VAL  HA        2.8   (#    17:20 Unique)
 &rst
  ixpk= 17, nxpk= 20, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 923, 924, 925, 927, 928, 929,
 &end
#
#    63  ASP  HB3    60  VAL  HA        3.5   (#    18:20 Unique)
 &rst
  ixpk= 18, nxpk= 20, iat= 956, 919, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    60  VAL  MGX    60  VAL  HA        2.8   (#    19:20 Unique)
 &rst
  ixpk= 19, nxpk= 20, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 923, 924, 925, 927, 928, 929,
 &end
#
#     0  AMB  20-2:22  56  ILE  HA        4.5   (#    22:20 Single)
 &rst
  ixpk= 22, nxpk= 20, iat=  -1, 845, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 853, 854, 905, 906,
 &end
#
#    56  ILE  QG2    56  ILE  HA        2.8   (#    23:20 Unique)
 &rst
  ixpk= 23, nxpk= 20, iat=  -1, 845, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 849, 850, 851,
 &end
#
#    56  ILE  HN     56  ILE  HA        4.5   (#    24:20 Unique)
 &rst
  ixpk= 24, nxpk= 20, iat= 843, 845, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     0  AMB  20-2:25  56  ILE  HA        5.5   (#    25:20 Single)
 &rst
  ixpk= 25, nxpk= 20, iat=  -1, 845, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 899, 900, 899, 900,
 &end
#
#    56  ILE  HG1+   56  ILE  HA        4.5   (#    26:20 Unique)
 &rst
  ixpk= 26, nxpk= 20, iat=  -1, 845, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 853, 854,
 &end
#
#    49  TRP  HH2    56  ILE  HA        3.5   (#    27:20 Unique)
 &rst
  ixpk= 27, nxpk= 20, iat= 749, 845, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    94  SER  HA     94  SER  HB-       5.5   (#    28:20 Unique)
 &rst
  ixpk= 28, nxpk= 20, iat=1418,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1420,1421,
 &end
#
#    76  GLY  HA-    94  SER  HB-       5.5   (#    29:20 Unique)
 &rst
  ixpk= 29, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1131,1132,
 igr2=1420,1421,
 &end
#
#    56  ILE  HN     53  HIS  HA        5.5   (#    32:20 Unique)
 &rst
  ixpk= 32, nxpk= 20, iat= 843, 806, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    53  HIS  HB+    53  HIS  HA        4.5   (#    33:20 Unique)
 &rst
  ixpk= 33, nxpk= 20, iat=  -1, 806, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 808, 809,
 &end
#
#     0  AMB  20-2:34  53  HIS  HA        2.8   (#    34:20 Single)
 &rst
  ixpk= 34, nxpk= 20, iat=  -1, 806, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 856, 857, 858, 292, 336, 337, 338, 340, 341, 342,
       336, 337, 338, 340, 341, 342,
 &end
#
#    94  SER  HN     94  SER  HB+       4.5   (#    35:20 Unique)
 &rst
  ixpk= 35, nxpk= 20, iat=1416,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1420,1421,
 &end
#
#     6  LEU  MDX    29  SER  HB+       5.5   (#    36:20 Unique)
 &rst
  ixpk= 36, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  78,  79,  80,  82,  83,  84,
 igr2= 445, 446,
 &end
#
#    29  SER  HB-    30  ALA  HN         4.5   (#    37:20 Unique)
 &rst
  ixpk= 37, nxpk= 20, iat=  -1, 452, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 445, 446,
 &end
#
#     0  AMB  20-2:38   0  AMB  20-1:38     4.5   (#    38:20 Double)
 &rst
  ixpk= 38, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 441,  69,
 igr2= 445, 446, 445, 446,
 &end
#
#    29  SER  HB+    30  ALA  HN         4.5   (#    39:20 Unique)
 &rst
  ixpk= 39, nxpk= 20, iat=  -1, 452, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 445, 446,
 &end
#
#    29  SER  HB+    35  ALA  MB         5.5   (#    40:20 Double)
 &rst
  ixpk= 40, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 445, 446,
 igr2= 522, 523, 524,
 &end
#
#     0  AMB  20-2:42  29  SER  HB-       4.5   (#    42:20 Single)
 &rst
  ixpk= 42, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 522, 523, 524,  74,
 igr2= 445, 446,
 &end
#
#     0  AMB  20-2:43  29  SER  HB-       3.5   (#    43:20 Single)
 &rst
  ixpk= 43, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 441,  69,
 igr2= 445, 446,
 &end
#
#    29  SER  HA     29  SER  HB-       2.8   (#    44:20 Unique)
 &rst
  ixpk= 44, nxpk= 20, iat= 443,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 445, 446,
 &end
#
#    29  SER  HB-    39  GLU  HB+        5.5   (#    45:20 Unique)
 &rst
  ixpk= 45, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 445, 446,
 igr2= 566, 567,
 &end
#
#    29  SER  HB-    39  GLU  HB-        5.5   (#    46:20 Single)
 &rst
  ixpk= 46, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 445, 446,
 igr2= 566, 567,
 &end
#
#    29  SER  HB-     6  LEU  HG         4.5   (#    47:20 Unique)
 &rst
  ixpk= 47, nxpk= 20, iat=  -1,  76, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 445, 446,
 &end
#
#     6  LEU  MDY    29  SER  HB-       4.5   (#    48:20 Unique)
 &rst
  ixpk= 48, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=  78,  79,  80,  82,  83,  84,
 igr2= 445, 446,
 &end
#
#    29  SER  HB+     6  LEU  HG         5.5   (#    49:20 Unique)
 &rst
  ixpk= 49, nxpk= 20, iat=  -1,  76, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 445, 446,
 &end
#
#    19  VAL  MGX    80  SER  HB-       7.0   (#    50:20 Unique)
 &rst
  ixpk= 50, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1= 257, 258, 259, 261, 262, 263,
 igr2=1190,1191,
 &end
#
#    91  TYR  HE     80  SER  HB-       4.5   (#    51:20 Unique)
 &rst
  ixpk= 51, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1377,1382,
 igr2=1190,1191,
 &end
#
#    19  VAL  MGY    80  SER  HB-       3.5   (#    52:20 Unique)
 &rst
  ixpk= 52, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 257, 258, 259, 261, 262, 263,
 igr2=1190,1191,
 &end
#
#    37  ALA  HN     36  PRO  HA        2.8   (#    54:20 Unique)
 &rst
  ixpk= 54, nxpk= 20, iat= 542, 538, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    36  PRO  HA     36  PRO  HB+        2.8   (#    55:20 Double)
 &rst
  ixpk= 55, nxpk= 20, iat= 538,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 535, 536,
 &end
#
#    36  PRO  HA     37  ALA  MB         4.5   (#    56:20 Double)
 &rst
  ixpk= 56, nxpk= 20, iat= 538,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 546, 547, 548,
 &end
#
#    31  PRO  HA     31  PRO  HG-        3.5   (#    57:20 Double)
 &rst
  ixpk= 57, nxpk= 20, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 466, 467,
 &end
#
#     4  ALA  HN     31  PRO  HA        3.5   (#    58:20 Unique)
 &rst
  ixpk= 58, nxpk= 20, iat=  47, 472, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    31  PRO  HA     30  ALA  HN         5.5   (#    59:20 Double)
 &rst
  ixpk= 59, nxpk= 20, iat= 472, 452, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    57  TYR  HN     57  TYR  HA        3.5   (#    60:20 Unique)
 &rst
  ixpk= 60, nxpk= 20, iat= 862, 864, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  20-2:61  57  TYR  HA        2.8   (#    61:20 Single)
 &rst
  ixpk= 61, nxpk= 20, iat=  -1, 864, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 378, 379, 380, 336, 337, 338, 340, 341, 342,
 &end
#
#    10  PRO  HB-    10  PRO  HA        2.8   (#    62:20 Unique)
 &rst
  ixpk= 62, nxpk= 20, iat=  -1, 146, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 143, 144,
 &end
#
#    57  TYR  HB3    57  TYR  HA        4.5   (#    63:20 Unique)
 &rst
  ixpk= 63, nxpk= 20, iat= 867, 864, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    57  TYR  HB2    57  TYR  HA        3.5   (#    64:20 Unique)
 &rst
  ixpk= 64, nxpk= 20, iat= 866, 864, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    60  VAL  HB     57  TYR  HA        4.5   (#    65:20 Unique)
 &rst
  ixpk= 65, nxpk= 20, iat= 921, 864, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    57  TYR  HD     57  TYR  HA        3.5   (#    66:20 Unique)
 &rst
  ixpk= 66, nxpk= 20, iat=  -1, 864, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 870, 879,
 &end
#
#    11  ASP  HN     10  PRO  HA        4.5   (#    67:20 Unique)
 &rst
  ixpk= 67, nxpk= 20, iat= 150, 146, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    10  PRO  HB+    10  PRO  HA        3.5   (#    68:20 Unique)
 &rst
  ixpk= 68, nxpk= 20, iat=  -1, 146, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 143, 144,
 &end
#
#    61  SER  HN     61  SER  HB+       4.5   (#    72:20 Unique)
 &rst
  ixpk= 72, nxpk= 20, iat= 933,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 937, 938,
 &end
#
#    61  SER  HN     61  SER  HB-       3.5   (#    73:20 Unique)
 &rst
  ixpk= 73, nxpk= 20, iat= 933,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 937, 938,
 &end
#
#    61  SER  HB+    61  SER  HA        3.5   (#    74:20 Unique)
 &rst
  ixpk= 74, nxpk= 20, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 937, 938,
 &end
#
#    61  SER  HB-    61  SER  HA        3.5   (#    75:20 Unique)
 &rst
  ixpk= 75, nxpk= 20, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 937, 938,
 &end
#
#     0  AMB  20-2:76   0  AMB  20-1:76     2.8   (#    76:20 Double)
 &rst
  ixpk= 76, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 935, 885,
 igr2= 937, 938, 937, 938,
 &end
#
#     0  AMB  20-2:77  61  SER  HB-       2.8   (#    77:20 Single)
 &rst
  ixpk= 77, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 935, 885,
 igr2= 937, 938,
 &end
#
#    61  SER  HN     61  SER  HA        4.5   (#    78:20 Unique)
 &rst
  ixpk= 78, nxpk= 20, iat= 933, 935, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    64  MET  HB2    61  SER  HA        4.5   (#    79:20 Unique)
 &rst
  ixpk= 79, nxpk= 20, iat= 967, 935, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     3  VAL  HA      3  VAL  HN         4.5   (#    80:20 Unique)
 &rst
  ixpk= 80, nxpk= 20, iat=  33,  31, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     3  VAL  HA      3  VAL  HB         3.5   (#    81:20 Unique)
 &rst
  ixpk= 81, nxpk= 20, iat=  33,  35, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     4  ALA  HN      3  VAL  HA        2.8   (#    83:20 Unique)
 &rst
  ixpk= 83, nxpk= 20, iat=  47,  33, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     3  VAL  HA      4  ALA  MB         4.5   (#    84:20 Single)
 &rst
  ixpk= 84, nxpk= 20, iat=  33,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  51,  52,  53,
 &end
#
#    73  CYS  HA     25  ILE  QG2        2.8   (#    85:20 Single)
 &rst
  ixpk= 85, nxpk= 20, iat=1094,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 371, 372, 373,
 &end
#
#    44  VAL  MGX   105  SER  HB3       5.5   (#    86:20 Unique)
 &rst
  ixpk= 86, nxpk= 20, iat=  -1,1574, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 650, 651, 652, 654, 655, 656,
 &end
#
#     0  AMB  20-2:87  90  VAL  HA        5.5   (#    87:20 Single)
 &rst
  ixpk= 87, nxpk= 20, iat=  -1,1353, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1177,1178,1173,1174,1175,
 &end
#
#    90  VAL  MGX    90  VAL  HA        3.5   (#    88:20 Unique)
 &rst
  ixpk= 88, nxpk= 20, iat=  -1,1353, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1357,1358,1359,1361,1362,1363,
 &end
#
#    91  TYR  HN     90  VAL  HA        3.5   (#    89:20 Unique)
 &rst
  ixpk= 89, nxpk= 20, iat=1367,1353, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    90  VAL  MGY    90  VAL  HA        3.5   (#    90:20 Unique)
 &rst
  ixpk= 90, nxpk= 20, iat=  -1,1353, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1357,1358,1359,1361,1362,1363,
 &end
#
#    44  VAL  MGY   105  SER  HB3       4.5   (#    92:20 Unique)
 &rst
  ixpk= 92, nxpk= 20, iat=  -1,1574, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 650, 651, 652, 654, 655, 656,
 &end
#
#   105  SER  HN    105  SER  HB2       4.5   (#    93:20 Unique)
 &rst
  ixpk= 93, nxpk= 20, iat=1569,1573, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   106  THR  HN    105  SER  HB2       5.5   (#    94:20 Unique)
 &rst
  ixpk= 94, nxpk= 20, iat=1580,1573, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    44  VAL  HB     12  VAL  HA        2.8   (#    95:20 Unique)
 &rst
  ixpk= 95, nxpk= 20, iat= 648, 164, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    12  VAL  HN     12  VAL  HA        4.5   (#    96:20 Unique)
 &rst
  ixpk= 96, nxpk= 20, iat= 162, 164, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   105  SER  HN    105  SER  HB3       4.5   (#    97:20 Unique)
 &rst
  ixpk= 97, nxpk= 20, iat=1569,1574, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    13  ASP  HN     12  VAL  HA        2.8   (#    98:20 Unique)
 &rst
  ixpk= 98, nxpk= 20, iat= 178, 164, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     0  AMB  20-2:99  12  VAL  HA        2.8   (#    99:20 Single)
 &rst
  ixpk= 99, nxpk= 20, iat=  -1, 164, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 168, 169, 170, 172, 173, 174, 196, 197, 198,
 &end
#
#    44  VAL  HN     12  VAL  HA        5.5   (#   100:20 Unique)
 &rst
  ixpk= 100, nxpk= 20, iat= 644, 164, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    12  VAL  MGY    12  VAL  HA        3.5   (#   101:20 Unique)
 &rst
  ixpk= 101, nxpk= 20, iat=  -1, 164, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 168, 169, 170, 172, 173, 174,
 &end
#
#     0  AMB  20-2:103 105  SER  HA        5.5   (#   103:20 Single)
 &rst
  ixpk= 103, nxpk= 20, iat=  -1,1571, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1619,1620,1616,1617,1614,
 &end
#
#   125  TYR  HN    125  TYR  HA        3.5   (#   104:20 Unique)
 &rst
  ixpk= 104, nxpk= 20, iat=1884,1886, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  20-2:105 125  TYR  HA        3.5   (#   105:20 Single)
 &rst
  ixpk= 105, nxpk= 20, iat=  -1,1886, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1892,1901,1375,1384,
 &end
#
#   125  TYR  HB+   125  TYR  HA        2.8   (#   106:20 Unique)
 &rst
  ixpk= 106, nxpk= 20, iat=  -1,1886, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1888,1889,
 &end
#
#   125  TYR  HB-   125  TYR  HA        2.8   (#   107:20 Unique)
 &rst
  ixpk= 107, nxpk= 20, iat=  -1,1886, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1888,1889,
 &end
#
#     0  AMB  20-2:108 107  GLU  HA        5.5   (#   108:20 Single)
 &rst
  ixpk= 108, nxpk= 20, iat=  -1,1596, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1657,1658,1676,1677,1678,
 &end
#
#   107  GLU  HN    107  GLU  HA        2.8   (#   109:20 Unique)
 &rst
  ixpk= 109, nxpk= 20, iat=1594,1596, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   107  GLU  HG+   107  GLU  HA        3.5   (#   110:20 Unique)
 &rst
  ixpk= 110, nxpk= 20, iat=  -1,1596, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1601,1602,
 &end
#
#   107  GLU  HG-   107  GLU  HA        4.5   (#   111:20 Unique)
 &rst
  ixpk= 111, nxpk= 20, iat=  -1,1596, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1601,1602,
 &end
#
#   107  GLU  HB+   107  GLU  HA        2.8   (#   112:20 Unique)
 &rst
  ixpk= 112, nxpk= 20, iat=  -1,1596, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1598,1599,
 &end
#
#   110  LYS  HB-   107  GLU  HA        3.5   (#   113:20 Unique)
 &rst
  ixpk= 113, nxpk= 20, iat=  -1,1596, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1654,1655,
 &end
#
#     0  AMB  20-2:114 107  GLU  HA        4.5   (#   114:20 Single)
 &rst
  ixpk= 114, nxpk= 20, iat=  -1,1596, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=1660,1661,1657,1658,1635,
 &end
#
#     0  AMB  20-2:115   0  AMB  20-1:115     3.5   (#   115:20 Double)
 &rst
  ixpk= 115, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1186, 330,
 igr2=1169, 332,
 &end
#
#     0  AMB  20-2:116  79  ILE  HA        3.5   (#   116:20 Single)
 &rst
  ixpk= 116, nxpk= 20, iat=  -1,1169, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1=1177,1178,1173,1174,1175,
 &end
#
#    59  LYS  HE+    59  LYS  HA        5.5   (#   118:20 Unique)
 &rst
  ixpk= 118, nxpk= 20, iat=  -1, 897, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 908, 909,
 &end
#
#    60  VAL  HN     59  LYS  HA        5.5   (#   119:20 Unique)
 &rst
  ixpk= 119, nxpk= 20, iat= 917, 897, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    59  LYS  HN     59  LYS  HA        3.5   (#   120:20 Unique)
 &rst
  ixpk= 120, nxpk= 20, iat= 895, 897, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    24  LEU  HN     23  VAL  HA        3.5   (#   121:20 Unique)
 &rst
  ixpk= 121, nxpk= 20, iat= 346, 332, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  20-2:122  23  VAL  HA        2.8   (#   122:20 Single)
 &rst
  ixpk= 122, nxpk= 20, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 336, 337, 338, 340, 341, 342, 336, 337, 338, 340,
       341, 342,
 &end
#
#    77  GLY  HN     23  VAL  HA        5.5   (#   123:20 Unique)
 &rst
  ixpk= 123, nxpk= 20, iat=1136, 332, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    23  VAL  HB     23  VAL  HA        3.5   (#   124:20 Unique)
 &rst
  ixpk= 124, nxpk= 20, iat= 334, 332, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  20-2:125  59  LYS  HA        2.8   (#   125:20 Single)
 &rst
  ixpk= 125, nxpk= 20, iat=  -1, 897, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 899, 900, 899, 900,
 &end
#
#    59  LYS  HG+    59  LYS  HA        2.8   (#   126:20 Unique)
 &rst
  ixpk= 126, nxpk= 20, iat=  -1, 897, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 902, 903,
 &end
#
#     0  AMB  20-2:127  59  LYS  HA        3.5   (#   127:20 Single)
 &rst
  ixpk= 127, nxpk= 20, iat=  -1, 897, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 905, 906, 905, 906,
 &end
#
#    76  GLY  HA-    23  VAL  HA        4.5   (#   128:20 Unique)
 &rst
  ixpk= 128, nxpk= 20, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1131,1132,
 &end
#
#    65  GLN  HA     65  GLN  HN         3.5   (#   129:20 Unique)
 &rst
  ixpk= 129, nxpk= 20, iat= 982, 980, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    65  GLN  HG+    65  GLN  HA        3.5   (#   130:20 Unique)
 &rst
  ixpk= 130, nxpk= 20, iat=  -1, 982, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 987, 988,
 &end
#
#    65  GLN  HG-    65  GLN  HA        3.5   (#   131:20 Unique)
 &rst
  ixpk= 131, nxpk= 20, iat=  -1, 982, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 987, 988,
 &end
#
#     0  AMB  20-2:132  65  GLN  HA        2.8   (#   132:20 Single)
 &rst
  ixpk= 132, nxpk= 20, iat=  -1, 982, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 985, 984,
 &end
#
#    66  LYS  HN     65  GLN  HA        5.5   (#   133:20 Unique)
 &rst
  ixpk= 133, nxpk= 20, iat= 997, 982, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  20-2:134   0  AMB  20-1:134     5.5   (#   134:20 Double)
 &rst
  ixpk= 134, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 388, 921, 617, 618,
 igr2=1094, 897,
 &end
#
#   110  LYS  HB+   110  LYS  HA        3.5   (#   135:20 Unique)
 &rst
  ixpk= 135, nxpk= 20, iat=  -1,1652, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1654,1655,
 &end
#
#    69  CYS  HN     65  GLN  HA        2.8   (#   136:20 Unique)
 &rst
  ixpk= 136, nxpk= 20, iat=1043, 982, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   110  LYS  HG-   110  LYS  HA        3.5   (#   137:20 Unique)
 &rst
  ixpk= 137, nxpk= 20, iat=  -1,1652, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1657,1658,
 &end
#
#   118  VAL  MGX   110  LYS  HA        3.5   (#   138:20 Unique)
 &rst
  ixpk= 138, nxpk= 20, iat=  -1,1652, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1793,1794,1795,1797,1798,1799,
 &end
#
#   110  LYS  HB-   110  LYS  HA        4.5   (#   139:20 Unique)
 &rst
  ixpk= 139, nxpk= 20, iat=  -1,1652, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1654,1655,
 &end
#
#     0  AMB  20-2:140   0  AMB  20-1:140     2.8   (#   140:20 Double)
 &rst
  ixpk= 140, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 997,1122,
 igr2= 999,1094,
 &end
#
#    67  GLN  HN     66  LYS  HA        4.5   (#   141:20 Unique)
 &rst
  ixpk= 141, nxpk= 20, iat=1019, 999, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     0  AMB  20-2:142   0  AMB  20-1:142     2.8   (#   142:20 Double)
 &rst
  ixpk= 142, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=1096,1097,1001,1002,
 igr2=1094, 999,
 &end
#
#    66  LYS  HG+    66  LYS  HA        3.5   (#   143:20 Unique)
 &rst
  ixpk= 143, nxpk= 20, iat=  -1, 999, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1004,1005,
 &end
#
#    73  CYS  HA     25  ILE  QG2        4.5   (#   144:20 Single)
 &rst
  ixpk= 144, nxpk= 20, iat=1094,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 371, 372, 373,
 &end
#
#    73  CYS  HB-    73  CYS  HA        5.5   (#   145:20 Unique)
 &rst
  ixpk= 145, nxpk= 20, iat=  -1,1094, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1096,1097,
 &end
#
#     0  AMB  20-2:146  73  CYS  HA        4.5   (#   146:20 Single)
 &rst
  ixpk= 146, nxpk= 20, iat=  -1,1094, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1092, 384,
 &end
#
#    25  ILE  HA     73  CYS  HA        2.8   (#   147:20 Unique)
 &rst
  ixpk= 147, nxpk= 20, iat= 367,1094, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    74  LEU  HN     73  CYS  HA        2.8   (#   148:20 Unique)
 &rst
  ixpk= 148, nxpk= 20, iat=1103,1094, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    82  GLN  HB+    82  GLN  HA        2.8   (#   149:20 Unique)
 &rst
  ixpk= 149, nxpk= 20, iat=  -1,1216, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1218,1219,
 &end
#
#    82  GLN  HG+    82  GLN  HA        3.5   (#   150:20 Unique)
 &rst
  ixpk= 150, nxpk= 20, iat=  -1,1216, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1221,1222,
 &end
#
#    95  MET  HB+    95  MET  HA        3.5   (#   151:20 Unique)
 &rst
  ixpk= 151, nxpk= 20, iat=  -1,1429, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1431,1432,
 &end
#
#    95  MET  HB-    95  MET  HA        2.8   (#   152:20 Unique)
 &rst
  ixpk= 152, nxpk= 20, iat=  -1,1429, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1431,1432,
 &end
#
#     0  AMB  20-2:153  95  MET  HA        4.5   (#   153:20 Single)
 &rst
  ixpk= 153, nxpk= 20, iat=  -1,1429, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1403,1412,1405,1410,
 &end
#
#    95  MET  HG-    95  MET  HA        3.5   (#   154:20 Unique)
 &rst
  ixpk= 154, nxpk= 20, iat=  -1,1429, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1434,1435,
 &end
#
#    29  SER  HB-    29  SER  HA        3.5   (#   155:20 Unique)
 &rst
  ixpk= 155, nxpk= 20, iat=  -1, 443, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 445, 446,
 &end
#
#    29  SER  HA      6  LEU  HB3        7.0   (#   156:20 Single)
 &rst
  ixpk= 156, nxpk= 20, iat= 443,  74, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#     6  LEU  MDY    29  SER  HA        3.5   (#   157:20 Unique)
 &rst
  ixpk= 157, nxpk= 20, iat=  -1, 443, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  78,  79,  80,  82,  83,  84,
 &end
#
#    29  SER  HN     29  SER  HA        3.5   (#   158:20 Unique)
 &rst
  ixpk= 158, nxpk= 20, iat= 441, 443, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    29  SER  HA     30  ALA  HN         2.8   (#   159:20 Unique)
 &rst
  ixpk= 159, nxpk= 20, iat= 443, 452, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     9  ILE  HG1-    9  ILE  HA        4.5   (#   161:20 Unique)
 &rst
  ixpk= 161, nxpk= 20, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 127, 128,
 &end
#
#     9  ILE  HG1+    9  ILE  HA        3.5   (#   162:20 Unique)
 &rst
  ixpk= 162, nxpk= 20, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 127, 128,
 &end
#
#     0  AMB  20-2:163  58  ASP  HA        3.5   (#   163:20 Single)
 &rst
  ixpk= 163, nxpk= 20, iat=  -1, 885, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 870, 879, 895,
 &end
#
#     0  AMB  20-2:164 102  HIS  HA        5.5   (#   164:20 Single)
 &rst
  ixpk= 164, nxpk= 20, iat=  -1,1525, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1500,1501,1502, 355, 356, 357, 359, 360, 361,
 &end
#
#     0  AMB  20-2:165   0  AMB  20-1:165     4.5   (#   165:20 Double)
 &rst
  ixpk= 165, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 783,1540,
 igr2= 770,1525,
 &end
#
#     9  ILE  HN      9  ILE  HA        4.5   (#   166:20 Unique)
 &rst
  ixpk= 166, nxpk= 20, iat= 117, 119, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    10  PRO  HD+     9  ILE  HA        3.5   (#   167:20 Unique)
 &rst
  ixpk= 167, nxpk= 20, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 137, 138,
 &end
#
#     9  ILE  HA      9  ILE  QG2        2.8   (#   168:20 Unique)
 &rst
  ixpk= 168, nxpk= 20, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 123, 124, 125,
 &end
#
#    58  ASP  HN     58  ASP  HA        3.5   (#   169:20 Unique)
 &rst
  ixpk= 169, nxpk= 20, iat= 883, 885, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   102  HIS  HN    102  HIS  HA        3.5   (#   170:20 Unique)
 &rst
  ixpk= 170, nxpk= 20, iat=1523,1525, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   102  HIS  HB2   102  HIS  HA        4.5   (#   171:20 Unique)
 &rst
  ixpk= 171, nxpk= 20, iat=1527,1525, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     0  AMB  20-2:172  51  GLU  HA        2.8   (#   172:20 Single)
 &rst
  ixpk= 172, nxpk= 20, iat=  -1, 770, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 772, 773, 775, 776,
 &end
#
#    51  GLU  HG+    51  GLU  HA        3.5   (#   173:20 Unique)
 &rst
  ixpk= 173, nxpk= 20, iat=  -1, 770, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 775, 776,
 &end
#
#     0  AMB  20-2:174   0  AMB  20-1:174     5.5   (#   174:20 Double)
 &rst
  ixpk= 174, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 355, 356, 357, 359, 360, 361, 762, 763, 764,
 igr2=1525, 770,
 &end
#
#   102  HIS  HB3   102  HIS  HA        3.5   (#   175:20 Unique)
 &rst
  ixpk= 175, nxpk= 20, iat=1528,1525, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    58  ASP  HB+    58  ASP  HA        3.5   (#   176:20 Unique)
 &rst
  ixpk= 176, nxpk= 20, iat=  -1, 885, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 887, 888,
 &end
#
#    58  ASP  HB-    58  ASP  HA        2.8   (#   177:20 Unique)
 &rst
  ixpk= 177, nxpk= 20, iat=  -1, 885, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 887, 888,
 &end
#
#   108  LYS  HN    108  LYS  HA        3.5   (#   178:20 Unique)
 &rst
  ixpk= 178, nxpk= 20, iat=1609,1611, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   108  LYS  HB2   108  LYS  HA        3.5   (#   179:20 Unique)
 &rst
  ixpk= 179, nxpk= 20, iat=1613,1611, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  20-2:180 108  LYS  HA        2.8   (#   180:20 Single)
 &rst
  ixpk= 180, nxpk= 20, iat=  -1,1611, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr1=1616,1617,1619,1620,1614,
 &end
#
#   111  ALA  MB    108  LYS  HA        2.8   (#   181:20 Unique)
 &rst
  ixpk= 181, nxpk= 20, iat=  -1,1611, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1676,1677,1678,
 &end
#
#     0  AMB  20-2:182 108  LYS  HA        3.5   (#   182:20 Single)
 &rst
  ixpk= 182, nxpk= 20, iat=  -1,1611, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1616,1617,1692,1693,
 &end
#
#    51  GLU  HN     51  GLU  HA        3.5   (#   183:20 Unique)
 &rst
  ixpk= 183, nxpk= 20, iat= 768, 770, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    51  GLU  HB-    51  GLU  HA        3.5   (#   184:20 Unique)
 &rst
  ixpk= 184, nxpk= 20, iat=  -1, 770, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 772, 773,
 &end
#
#    90  VAL  MGX   102  HIS  HA        4.5   (#   185:20 Unique)
 &rst
  ixpk= 185, nxpk= 20, iat=  -1,1525, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1357,1358,1359,1361,1362,1363,
 &end
#
#    43  ILE  HA     11  ASP  HA        4.5   (#   186:20 Unique)
 &rst
  ixpk= 186, nxpk= 20, iat= 627, 152, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    43  ILE  QG2    11  ASP  HA        2.8   (#   187:20 Unique)
 &rst
  ixpk= 187, nxpk= 20, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 631, 632, 633,
 &end
#
#    58  ASP  HB-    55  ASP  HA        4.5   (#   188:20 Unique)
 &rst
  ixpk= 188, nxpk= 20, iat=  -1, 833, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 887, 888,
 &end
#
#    11  ASP  HB+    11  ASP  HA        3.5   (#   189:20 Unique)
 &rst
  ixpk= 189, nxpk= 20, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 154, 155,
 &end
#
#    11  ASP  HA     11  ASP  HB-        3.5   (#   190:20 Single)
 &rst
  ixpk= 190, nxpk= 20, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 154, 155,
 &end
#
#    55  ASP  HN     55  ASP  HA        3.5   (#   191:20 Unique)
 &rst
  ixpk= 191, nxpk= 20, iat= 831, 833, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    56  ILE  HN     55  ASP  HA        5.5   (#   192:20 Unique)
 &rst
  ixpk= 192, nxpk= 20, iat= 843, 833, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    58  ASP  HB+    55  ASP  HA        3.5   (#   193:20 Unique)
 &rst
  ixpk= 193, nxpk= 20, iat=  -1, 833, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 887, 888,
 &end
#
#    55  ASP  HB3    55  ASP  HA        3.5   (#   194:20 Unique)
 &rst
  ixpk= 194, nxpk= 20, iat= 836, 833, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    55  ASP  HB2    55  ASP  HA        3.5   (#   195:20 Unique)
 &rst
  ixpk= 195, nxpk= 20, iat= 835, 833, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  20-2:196  21  LYS  HA        4.5   (#   196:20 Single)
 &rst
  ixpk= 196, nxpk= 20, iat=  -1, 289, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1150,1151, 297, 298,
 &end
#
#    21  LYS  HB3    21  LYS  HA        4.5   (#   197:20 Unique)
 &rst
  ixpk= 197, nxpk= 20, iat= 292, 289, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    78  ARG  HB+    21  LYS  HA        5.5   (#   198:20 Unique)
 &rst
  ixpk= 198, nxpk= 20, iat=  -1, 289, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1147,1148,
 &end
#
#    63  ASP  HN     63  ASP  HA        3.5   (#   199:20 Unique)
 &rst
  ixpk= 199, nxpk= 20, iat= 951, 953, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    63  ASP  HB3    63  ASP  HA        3.5   (#   200:20 Unique)
 &rst
  ixpk= 200, nxpk= 20, iat= 956, 953, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    63  ASP  HB2    63  ASP  HA        2.8   (#   201:20 Unique)
 &rst
  ixpk= 201, nxpk= 20, iat= 955, 953, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    66  LYS  HB+    63  ASP  HA        3.5   (#   202:20 Unique)
 &rst
  ixpk= 202, nxpk= 20, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1001,1002,
 &end
#
#     0  AMB  20-2:203  63  ASP  HA        3.5   (#   203:20 Single)
 &rst
  ixpk= 203, nxpk= 20, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1007,1008,1004,1005,
 &end
#
#    66  LYS  HG-    63  ASP  HA        5.5   (#   204:20 Unique)
 &rst
  ixpk= 204, nxpk= 20, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1004,1005,
 &end
#
#    66  LYS  HN     63  ASP  HA        5.5   (#   205:20 Unique)
 &rst
  ixpk= 205, nxpk= 20, iat= 997, 953, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    22  TYR  HN     21  LYS  HA        3.5   (#   206:20 Unique)
 &rst
  ixpk= 206, nxpk= 20, iat= 309, 289, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     7  ALA  HN      6  LEU  HA        5.5   (#   207:20 Unique)
 &rst
  ixpk= 207, nxpk= 20, iat=  88,  71, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    67  GLN  HN     64  MET  HA        5.5   (#   208:20 Unique)
 &rst
  ixpk= 208, nxpk= 20, iat=1019, 965, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     6  LEU  HB3     6  LEU  HA        3.5   (#   209:20 Unique)
 &rst
  ixpk= 209, nxpk= 20, iat=  74,  71, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     9  ILE  HG1+    6  LEU  HA        5.5   (#   210:20 Unique)
 &rst
  ixpk= 210, nxpk= 20, iat=  -1,  71, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 127, 128,
 &end
#
#     6  LEU  HN      6  LEU  HA        3.5   (#   211:20 Unique)
 &rst
  ixpk= 211, nxpk= 20, iat=  69,  71, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  20-2:212   6  LEU  HA        4.5   (#   212:20 Single)
 &rst
  ixpk= 212, nxpk= 20, iat=  -1,  71, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 117,  98,
 &end
#
#     6  LEU  HA      6  LEU  HB2        3.5   (#   213:20 Single)
 &rst
  ixpk= 213, nxpk= 20, iat=  71,  73, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     6  LEU  HG      6  LEU  HA        3.5   (#   214:20 Unique)
 &rst
  ixpk= 214, nxpk= 20, iat=  76,  71, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  20-2:215   6  LEU  HA        4.5   (#   215:20 Single)
 &rst
  ixpk= 215, nxpk= 20, iat=  -1,  71, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 127, 128, 598, 599,
 &end
#
#     9  ILE  QD1     6  LEU  HA        2.8   (#   216:20 Unique)
 &rst
  ixpk= 216, nxpk= 20, iat=  -1,  71, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 130, 131, 132,
 &end
#
#     6  LEU  MDY     6  LEU  HA        2.8   (#   217:20 Unique)
 &rst
  ixpk= 217, nxpk= 20, iat=  -1,  71, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=  78,  79,  80,  82,  83,  84,
 &end
#
#    65  GLN  HN     64  MET  HA        5.5   (#   218:20 Unique)
 &rst
  ixpk= 218, nxpk= 20, iat= 980, 965, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    69  CYS  HN     64  MET  HA        7.0   (#   219:20 Unique)
 &rst
  ixpk= 219, nxpk= 20, iat=1043, 965, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    64  MET  HG+    64  MET  HA        3.5   (#   220:20 Unique)
 &rst
  ixpk= 220, nxpk= 20, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 970, 971,
 &end
#
#    64  MET  HG-    64  MET  HA        4.5   (#   221:20 Unique)
 &rst
  ixpk= 221, nxpk= 20, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 970, 971,
 &end
#
#     0  AMB  20-2:222  64  MET  HA        2.8   (#   222:20 Single)
 &rst
  ixpk= 222, nxpk= 20, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1023, 967,
 &end
#
#    64  MET  ME     64  MET  HA        3.5   (#   223:20 Unique)
 &rst
  ixpk= 223, nxpk= 20, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 974, 975, 976,
 &end
#
#    64  MET  HN     64  MET  HA        3.5   (#   224:20 Unique)
 &rst
  ixpk= 224, nxpk= 20, iat= 963, 965, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  20-2:225  64  MET  HA        2.8   (#   225:20 Single)
 &rst
  ixpk= 225, nxpk= 20, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1026,1027,1047,
 &end
#
#    64  MET  HB3    64  MET  HA        3.5   (#   226:20 Unique)
 &rst
  ixpk= 226, nxpk= 20, iat= 968, 965, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    50  ALA  HN     49  TRP  HA        4.5   (#   229:20 Unique)
 &rst
  ixpk= 229, nxpk= 20, iat= 758, 736, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   112  LYS  HN    112  LYS  HA        3.5   (#   230:20 Unique)
 &rst
  ixpk= 230, nxpk= 20, iat=1682,1684, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   112  LYS  HG+   112  LYS  HA        3.5   (#   231:20 Unique)
 &rst
  ixpk= 231, nxpk= 20, iat=  -1,1684, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1689,1690,
 &end
#
#    49  TRP  HD1    49  TRP  HA        4.5   (#   232:20 Unique)
 &rst
  ixpk= 232, nxpk= 20, iat= 742, 736, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    49  TRP  HB+    49  TRP  HA        2.8   (#   233:20 Unique)
 &rst
  ixpk= 233, nxpk= 20, iat=  -1, 736, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 738, 739,
 &end
#
#    49  TRP  HB-    49  TRP  HA        2.8   (#   234:20 Unique)
 &rst
  ixpk= 234, nxpk= 20, iat=  -1, 736, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 738, 739,
 &end
#
#   112  LYS  HD-   112  LYS  HA        3.5   (#   235:20 Unique)
 &rst
  ixpk= 235, nxpk= 20, iat=  -1,1684, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1692,1693,
 &end
#
#   113  TYR  HN    112  LYS  HA        5.5   (#   236:20 Unique)
 &rst
  ixpk= 236, nxpk= 20, iat=1704,1684, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   117  GLU  HG+   117  GLU  HA        3.5   (#   237:20 Unique)
 &rst
  ixpk= 237, nxpk= 20, iat=  -1,1774, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1779,1780,
 &end
#
#   117  GLU  HB+   117  GLU  HA        4.5   (#   238:20 Unique)
 &rst
  ixpk= 238, nxpk= 20, iat=  -1,1774, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1776,1777,
 &end
#
#   117  GLU  HB-   117  GLU  HA        2.8   (#   239:20 Unique)
 &rst
  ixpk= 239, nxpk= 20, iat=  -1,1774, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1776,1777,
 &end
#
#     0  AMB  20-2:240  39  GLU  HA        2.8   (#   240:20 Single)
 &rst
  ixpk= 240, nxpk= 20, iat=  -1, 564, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 577, 562,
 &end
#
#     0  AMB  20-2:241  39  GLU  HA        2.8   (#   241:20 Single)
 &rst
  ixpk= 241, nxpk= 20, iat=  -1, 564, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 569, 570, 569, 570,
 &end
#
#    39  GLU  HB+    39  GLU  HA        2.8   (#   242:20 Unique)
 &rst
  ixpk= 242, nxpk= 20, iat=  -1, 564, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 566, 567,
 &end
#
#    39  GLU  HB-    39  GLU  HA        2.8   (#   243:20 Unique)
 &rst
  ixpk= 243, nxpk= 20, iat=  -1, 564, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 566, 567,
 &end
#
#     6  LEU  MDX    39  GLU  HA        5.5   (#   244:20 Unique)
 &rst
  ixpk= 244, nxpk= 20, iat=  -1, 564, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  78,  79,  80,  82,  83,  84,
 &end
#
#   118  VAL  HN    117  GLU  HA        2.8   (#   245:20 Unique)
 &rst
  ixpk= 245, nxpk= 20, iat=1787,1774, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     0  AMB  20-2:251  41  LYS  HA        5.5   (#   251:20 Single)
 &rst
  ixpk= 251, nxpk= 20, iat=  -1, 590, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 595, 596, 391, 392,
 &end
#
#    41  LYS  HN     41  LYS  HA        4.5   (#   252:20 Unique)
 &rst
  ixpk= 252, nxpk= 20, iat= 588, 590, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    42  GLU  HN     41  LYS  HA        2.8   (#   253:20 Unique)
 &rst
  ixpk= 253, nxpk= 20, iat= 610, 590, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     0  AMB  20-2:254  41  LYS  HA        2.8   (#   254:20 Single)
 &rst
  ixpk= 254, nxpk= 20, iat=  -1, 590, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 592, 593, 592, 593,
 &end
#
#    41  LYS  HG+    41  LYS  HA        5.5   (#   255:20 Unique)
 &rst
  ixpk= 255, nxpk= 20, iat=  -1, 590, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 595, 596,
 &end
#
#     6  LEU  MDX    41  LYS  HA        5.5   (#   256:20 Unique)
 &rst
  ixpk= 256, nxpk= 20, iat=  -1, 590, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  78,  79,  80,  82,  83,  84,
 &end
#
#     2  ALA  HN      1  MET  HA        4.5   (#   257:20 Unique)
 &rst
  ixpk= 257, nxpk= 20, iat=  21,   6, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     1  MET  HA      1  MET  HB+        3.5   (#   259:20 Unique)
 &rst
  ixpk= 259, nxpk= 20, iat=   6,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=   8,   9,
 &end
#
#     1  MET  HA      1  MET  HB-        4.5   (#   260:20 Unique)
 &rst
  ixpk= 260, nxpk= 20, iat=   6,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=   8,   9,
 &end
#
#   103  ALA  MB    103  ALA  HA        2.8   (#   261:20 Unique)
 &rst
  ixpk= 261, nxpk= 20, iat=  -1,1542, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1544,1545,1546,
 &end
#
#    68  GLY  HN     67  GLN  HA        3.5   (#   262:20 Unique)
 &rst
  ixpk= 262, nxpk= 20, iat=1036,1021, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  20-2:263  67  GLN  HA        2.8   (#   263:20 Single)
 &rst
  ixpk= 263, nxpk= 20, iat=  -1,1021, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1024,1026,1027,
 &end
#
#    67  GLN  HA     67  GLN  HB2        3.5   (#   264:20 Unique)
 &rst
  ixpk= 264, nxpk= 20, iat=1021,1023, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  20-2:267 103  ALA  HA        4.5   (#   267:20 Single)
 &rst
  ixpk= 267, nxpk= 20, iat=  -1,1542, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1584,1525,
 &end
#
#    67  GLN  HN     67  GLN  HA        3.5   (#   268:20 Unique)
 &rst
  ixpk= 268, nxpk= 20, iat=1019,1021, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     8  LEU  MDX     8  LEU  HA        3.5   (#   269:20 Unique)
 &rst
  ixpk= 269, nxpk= 20, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 107, 108, 109, 111, 112, 113,
 &end
#
#     8  LEU  MDY     8  LEU  HA        2.8   (#   270:20 Unique)
 &rst
  ixpk= 270, nxpk= 20, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 107, 108, 109, 111, 112, 113,
 &end
#
#    81  HIS  HB+    81  HIS  HA        3.5   (#   271:20 Unique)
 &rst
  ixpk= 271, nxpk= 20, iat=  -1,1199, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1201,1202,
 &end
#
#    81  HIS  HB-    81  HIS  HA        4.5   (#   272:20 Unique)
 &rst
  ixpk= 272, nxpk= 20, iat=  -1,1199, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1201,1202,
 &end
#
#   101  GLN  HN    101  GLN  HA        3.5   (#   273:20 Unique)
 &rst
  ixpk= 273, nxpk= 20, iat=1506,1508, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     8  LEU  HB-     8  LEU  HA        2.8   (#   274:20 Unique)
 &rst
  ixpk= 274, nxpk= 20, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 102, 103,
 &end
#
#     0  AMB  20-2:275   8  LEU  HA        3.5   (#   275:20 Single)
 &rst
  ixpk= 275, nxpk= 20, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  98, 117,
 &end
#
#   102  HIS  HN    101  GLN  HA        2.8   (#   276:20 Unique)
 &rst
  ixpk= 276, nxpk= 20, iat=1523,1508, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   101  GLN  HG-   101  GLN  HA        3.5   (#   277:20 Unique)
 &rst
  ixpk= 277, nxpk= 20, iat=  -1,1508, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1513,1514,
 &end
#
#   101  GLN  HB+   101  GLN  HA        3.5   (#   278:20 Unique)
 &rst
  ixpk= 278, nxpk= 20, iat=  -1,1508, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1510,1511,
 &end
#
#   101  GLN  HB-   101  GLN  HA        2.8   (#   279:20 Unique)
 &rst
  ixpk= 279, nxpk= 20, iat=  -1,1508, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1510,1511,
 &end
#
#    96  ALA  MB     96  ALA  HA        2.8   (#   280:20 Unique)
 &rst
  ixpk= 280, nxpk= 20, iat=  -1,1446, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1448,1449,1450,
 &end
#
#    74  LEU  HN     74  LEU  HA        4.5   (#   281:20 Unique)
 &rst
  ixpk= 281, nxpk= 20, iat=1103,1105, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    74  LEU  HB3    74  LEU  HA        3.5   (#   282:20 Unique)
 &rst
  ixpk= 282, nxpk= 20, iat=1108,1105, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    74  LEU  HB2    74  LEU  HA        4.5   (#   283:20 Unique)
 &rst
  ixpk= 283, nxpk= 20, iat=1107,1105, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    74  LEU  MDY    74  LEU  HA        2.8   (#   284:20 Unique)
 &rst
  ixpk= 284, nxpk= 20, iat=  -1,1105, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1112,1113,1114,1116,1117,1118,
 &end
#
#   111  ALA  HN    111  ALA  HA        2.8   (#   285:20 Unique)
 &rst
  ixpk= 285, nxpk= 20, iat=1672,1674, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   111  ALA  MB    111  ALA  HA        2.8   (#   286:20 Unique)
 &rst
  ixpk= 286, nxpk= 20, iat=  -1,1674, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1676,1677,1678,
 &end
#
#     7  ALA  HN      7  ALA  HA        3.5   (#   287:20 Unique)
 &rst
  ixpk= 287, nxpk= 20, iat=  88,  90, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     7  ALA  MB      7  ALA  HA        2.8   (#   288:20 Unique)
 &rst
  ixpk= 288, nxpk= 20, iat=  -1,  90, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=  92,  93,  94,
 &end
#
#     0  AMB  20-2:289   7  ALA  HA        3.5   (#   289:20 Single)
 &rst
  ixpk= 289, nxpk= 20, iat=  -1,  90, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  98, 117,
 &end
#
#     5  ASP  HA      8  LEU  HN         5.5   (#   290:20 Single)
 &rst
  ixpk= 290, nxpk= 20, iat=  59,  98, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     5  ASP  HA      6  LEU  HB2        5.5   (#   291:20 Single)
 &rst
  ixpk= 291, nxpk= 20, iat=  59,  73, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     6  LEU  HN      5  ASP  HA        2.8   (#   292:20 Unique)
 &rst
  ixpk= 292, nxpk= 20, iat=  69,  59, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     7  ALA  HN      5  ASP  HA        4.5   (#   293:20 Unique)
 &rst
  ixpk= 293, nxpk= 20, iat=  88,  59, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     5  ASP  HN      5  ASP  HA        3.5   (#   294:20 Unique)
 &rst
  ixpk= 294, nxpk= 20, iat=  57,  59, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     5  ASP  HB+     5  ASP  HA        2.8   (#   295:20 Unique)
 &rst
  ixpk= 295, nxpk= 20, iat=  -1,  59, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=  61,  62,
 &end
#
#     5  ASP  HB-     5  ASP  HA        2.8   (#   296:20 Unique)
 &rst
  ixpk= 296, nxpk= 20, iat=  -1,  59, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=  61,  62,
 &end
#
#     5  ASP  HA      6  LEU  HG         5.5   (#   297:20 Single)
 &rst
  ixpk= 297, nxpk= 20, iat=  59,  76, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     4  ALA  HN      4  ALA  HA        3.5   (#   300:20 Unique)
 &rst
  ixpk= 300, nxpk= 20, iat=  47,  49, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     5  ASP  HN      4  ALA  HA        2.8   (#   301:20 Unique)
 &rst
  ixpk= 301, nxpk= 20, iat=  57,  49, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     5  ASP  HB-     4  ALA  HA        5.5   (#   302:20 Unique)
 &rst
  ixpk= 302, nxpk= 20, iat=  -1,  49, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  61,  62,
 &end
#
#     4  ALA  MB      4  ALA  HA        2.8   (#   303:20 Unique)
 &rst
  ixpk= 303, nxpk= 20, iat=  -1,  49, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=  51,  52,  53,
 &end
#
#     8  LEU  MDX     4  ALA  HA        5.5   (#   304:20 Unique)
 &rst
  ixpk= 304, nxpk= 20, iat=  -1,  49, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 107, 108, 109, 111, 112, 113,
 &end
#
#     0  AMB  20-2:307  38  ALA  HA        2.8   (#   307:20 Single)
 &rst
  ixpk= 307, nxpk= 20, iat=  -1, 554, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 552, 562,
 &end
#
#    38  ALA  HA     39  GLU  HB-        5.5   (#   308:20 Double)
 &rst
  ixpk= 308, nxpk= 20, iat= 554,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 566, 567,
 &end
#
#    38  ALA  MB     38  ALA  HA        2.8   (#   309:20 Unique)
 &rst
  ixpk= 309, nxpk= 20, iat=  -1, 554, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 556, 557, 558,
 &end
#
#    38  ALA  HA     39  GLU  HG-        5.5   (#   310:20 Single)
 &rst
  ixpk= 310, nxpk= 20, iat= 554,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 569, 570,
 &end
#
#    49  TRP  HZ3    50  ALA  HA        4.5   (#   311:20 Unique)
 &rst
  ixpk= 311, nxpk= 20, iat= 751, 760, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    55  ASP  HB3    50  ALA  HA        4.5   (#   312:20 Unique)
 &rst
  ixpk= 312, nxpk= 20, iat= 836, 760, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     3  VAL  HN      2  ALA  HA        2.8   (#   313:20 Unique)
 &rst
  ixpk= 313, nxpk= 20, iat=  31,  23, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     0  AMB  20-2:314   2  ALA  HA        4.5   (#   314:20 Single)
 &rst
  ixpk= 314, nxpk= 20, iat=  -1,  23, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=  37,  38,  39,  41,  42,  43,  37,  38,  39,  41,
        42,  43,
 &end
#
#    51  GLU  HN     50  ALA  HA        2.8   (#   315:20 Unique)
 &rst
  ixpk= 315, nxpk= 20, iat= 768, 760, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    49  TRP  HE3    50  ALA  HA        2.8   (#   316:20 Unique)
 &rst
  ixpk= 316, nxpk= 20, iat= 753, 760, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    50  ALA  HN     50  ALA  HA        4.5   (#   317:20 Unique)
 &rst
  ixpk= 317, nxpk= 20, iat= 758, 760, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     0  AMB  20-2:318  50  ALA  HA        4.5   (#   318:20 Single)
 &rst
  ixpk= 318, nxpk= 20, iat=  -1, 760, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 775, 776, 772, 773,
 &end
#
#    50  ALA  MB     50  ALA  HA        2.8   (#   319:20 Unique)
 &rst
  ixpk= 319, nxpk= 20, iat=  -1, 760, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 762, 763, 764,
 &end
#
#    52  TYR  HN     50  ALA  HA        5.5   (#   320:20 Unique)
 &rst
  ixpk= 320, nxpk= 20, iat= 783, 760, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     2  ALA  HA      1  MET  HB+        5.5   (#   321:20 Double)
 &rst
  ixpk= 321, nxpk= 20, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=   8,   9,
 &end
#
#    55  ASP  HB2    50  ALA  HA        5.5   (#   323:20 Unique)
 &rst
  ixpk= 323, nxpk= 20, iat= 835, 760, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    37  ALA  MB     37  ALA  HA        2.8   (#   324:20 Unique)
 &rst
  ixpk= 324, nxpk= 20, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 546, 547, 548,
 &end
#
#   121  ALA  HA    120  TRP  HZ3        4.5   (#   325:20 Unique)
 &rst
  ixpk= 325, nxpk= 20, iat=1843,1834, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   122  ASN  HN    121  ALA  HA        3.5   (#   326:20 Unique)
 &rst
  ixpk= 326, nxpk= 20, iat=1851,1843, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   120  TRP  HD1   121  ALA  HA        7.0   (#   327:20 Unique)
 &rst
  ixpk= 327, nxpk= 20, iat=1825,1843, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   121  ALA  HA    121  ALA  HN         4.5   (#   328:20 Unique)
 &rst
  ixpk= 328, nxpk= 20, iat=1843,1841, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   121  ALA  MB    121  ALA  HA        2.8   (#   329:20 Unique)
 &rst
  ixpk= 329, nxpk= 20, iat=  -1,1843, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1845,1846,1847,
 &end
#
#    10  PRO  HG+    10  PRO  HD-       2.8   (#   330:20 Unique)
 &rst
  ixpk= 330, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 140, 141,
 igr2= 137, 138,
 &end
#
#     9  ILE  HA     10  PRO  HD+       2.8   (#   331:20 Unique)
 &rst
  ixpk= 331, nxpk= 20, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 137, 138,
 &end
#
#    10  PRO  HD-     9  ILE  QG2        3.5   (#   332:20 Unique)
 &rst
  ixpk= 332, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 137, 138,
 igr2= 123, 124, 125,
 &end
#
#    10  PRO  HG+    10  PRO  HD+       3.5   (#   333:20 Unique)
 &rst
  ixpk= 333, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 140, 141,
 igr2= 137, 138,
 &end
#
#    10  PRO  HD+     9  ILE  QG2        3.5   (#   334:20 Unique)
 &rst
  ixpk= 334, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 137, 138,
 igr2= 123, 124, 125,
 &end
#
#    75  GLY  HA-   100  ALA  HA        5.5   (#   335:20 Unique)
 &rst
  ixpk= 335, nxpk= 20, iat=  -1,1498, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1124,1125,
 &end
#
#   101  GLN  HN    100  ALA  HA        2.8   (#   336:20 Unique)
 &rst
  ixpk= 336, nxpk= 20, iat=1506,1498, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   100  ALA  HN    100  ALA  HA        4.5   (#   337:20 Unique)
 &rst
  ixpk= 337, nxpk= 20, iat=1496,1498, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     0  AMB  20-2:338 100  ALA  HA        2.8   (#   338:20 Single)
 &rst
  ixpk= 338, nxpk= 20, iat=  -1,1498, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1500,1501,1502, 355, 356, 357, 359, 360, 361,
 &end
#
#     0  AMB  20-2:339   0  AMB  20-1:339     3.5   (#   339:20 Double)
 &rst
  ixpk= 339, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 532, 533, 466, 467,
 igr2= 529, 530, 463, 464,
 &end
#
#     0  AMB  20-2:340   0  AMB  20-1:340     2.8   (#   340:20 Double)
 &rst
  ixpk= 340, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 520, 454,
 igr2= 529, 530, 463, 464,
 &end
#
#    31  PRO  HD+    30  ALA  MB         3.5   (#   341:20 Double)
 &rst
  ixpk= 341, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 463, 464,
 igr2= 456, 457, 458,
 &end
#
#    31  PRO  HD+    31  PRO  HB+        4.5   (#   345:20 Double)
 &rst
  ixpk= 345, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 463, 464,
 igr2= 469, 470,
 &end
#
#    98  GLY  HA+    99  PRO  HD+       3.5   (#   349:20 Unique)
 &rst
  ixpk= 349, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1477,1478,
 igr2=1483,1484,
 &end
#
#    99  PRO  HG+    99  PRO  HD+       3.5   (#   350:20 Unique)
 &rst
  ixpk= 350, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1486,1487,
 igr2=1483,1484,
 &end
#
#     0  AMB  20-2:351   0  AMB  20-1:351     3.5   (#   351:20 Double)
 &rst
  ixpk= 351, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1486,1487,1489,1490,
 igr2=1483,1484,1483,1484,
 &end
#
#    22  TYR  HA     46  GLY  HA+       4.5   (#   352:20 Unique)
 &rst
  ixpk= 352, nxpk= 20, iat= 311,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 686, 687,
 &end
#
#    56  ILE  QD1    46  GLY  HA+       3.5   (#   354:20 Unique)
 &rst
  ixpk= 354, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 856, 857, 858,
 igr2= 686, 687,
 &end
#
#    47  TYR  HN     46  GLY  HA+       3.5   (#   355:20 Unique)
 &rst
  ixpk= 355, nxpk= 20, iat= 691,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 686, 687,
 &end
#
#    63  ASP  HN     62  GLY  HA+       4.5   (#   356:20 Unique)
 &rst
  ixpk= 356, nxpk= 20, iat= 951,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 946, 947,
 &end
#
#    65  GLN  HB2    62  GLY  HA+       4.5   (#   357:20 Unique)
 &rst
  ixpk= 357, nxpk= 20, iat= 984,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 946, 947,
 &end
#
#    62  GLY  HN     62  GLY  HA+       2.8   (#   358:20 Unique)
 &rst
  ixpk= 358, nxpk= 20, iat= 944,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 946, 947,
 &end
#
#    62  GLY  HN     62  GLY  HA-       2.8   (#   359:20 Unique)
 &rst
  ixpk= 359, nxpk= 20, iat= 944,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 946, 947,
 &end
#
#    65  GLN  HB2    62  GLY  HA-       4.5   (#   360:20 Unique)
 &rst
  ixpk= 360, nxpk= 20, iat= 984,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 946, 947,
 &end
#
#    63  ASP  HN     62  GLY  HA-       4.5   (#   361:20 Unique)
 &rst
  ixpk= 361, nxpk= 20, iat= 951,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 946, 947,
 &end
#
#    78  ARG  HN     77  GLY  HA+       3.5   (#   362:20 Unique)
 &rst
  ixpk= 362, nxpk= 20, iat=1143,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1138,1139,
 &end
#
#    78  ARG  HN     77  GLY  HA-       3.5   (#   363:20 Unique)
 &rst
  ixpk= 363, nxpk= 20, iat=1143,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1138,1139,
 &end
#
#    77  GLY  HA-    22  TYR  HE         4.5   (#   364:20 Single)
 &rst
  ixpk= 364, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1138,1139,
 igr2= 319, 324,
 &end
#
#    77  GLY  HA+    22  TYR  HE         3.5   (#   365:20 Double)
 &rst
  ixpk= 365, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1138,1139,
 igr2= 319, 324,
 &end
#
#    68  GLY  HN     68  GLY  HA+       2.8   (#   366:20 Unique)
 &rst
  ixpk= 366, nxpk= 20, iat=1036,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1038,1039,
 &end
#
#    68  GLY  HN     68  GLY  HA-       2.8   (#   367:20 Unique)
 &rst
  ixpk= 367, nxpk= 20, iat=1036,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1038,1039,
 &end
#
#    92  GLY  HA-    91  TYR  HD         5.5   (#   368:20 Single)
 &rst
  ixpk= 368, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1390,1391,
 igr2=1375,1384,
 &end
#
#     0  AMB  20-2:369   0  AMB  20-1:369     3.5   (#   369:20 Double)
 &rst
  ixpk= 369, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1388,1395,
 igr2=1390,1391,1390,1391,
 &end
#
#     0  AMB  20-2:370  92  GLY  HA-       3.5   (#   370:20 Single)
 &rst
  ixpk= 370, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1388,1395,
 igr2=1390,1391,
 &end
#
#   125  TYR  HN    124  GLY  HA-       2.8   (#   371:20 Unique)
 &rst
  ixpk= 371, nxpk= 20, iat=1884,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1879,1880,
 &end
#
#   124  GLY  HN    124  GLY  HA+       3.5   (#   372:20 Unique)
 &rst
  ixpk= 372, nxpk= 20, iat=1877,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1879,1880,
 &end
#
#   125  TYR  HN    124  GLY  HA+       3.5   (#   373:20 Unique)
 &rst
  ixpk= 373, nxpk= 20, iat=1884,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1879,1880,
 &end
#
#   124  GLY  HA+   125  TYR  HD         5.5   (#   374:20 Double)
 &rst
  ixpk= 374, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1879,1880,
 igr2=1892,1901,
 &end
#
#   124  GLY  HN    124  GLY  HA-       3.5   (#   375:20 Unique)
 &rst
  ixpk= 375, nxpk= 20, iat=1877,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1879,1880,
 &end
#
#   124  GLY  HA-   125  TYR  HD         5.5   (#   376:20 Single)
 &rst
  ixpk= 376, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1879,1880,
 igr2=1892,1901,
 &end
#
#    35  ALA  HN     34  GLY  HA+       4.5   (#   377:20 Unique)
 &rst
  ixpk= 377, nxpk= 20, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 513, 514,
 &end
#
#    35  ALA  HN     34  GLY  HA-       4.5   (#   378:20 Unique)
 &rst
  ixpk= 378, nxpk= 20, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 513, 514,
 &end
#
#    77  GLY  HN     76  GLY  HA-       3.5   (#   379:20 Unique)
 &rst
  ixpk= 379, nxpk= 20, iat=1136,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1131,1132,
 &end
#
#    24  LEU  HN     24  LEU  HB+       4.5   (#   380:20 Unique)
 &rst
  ixpk= 380, nxpk= 20, iat= 346,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 350, 351,
 &end
#
#    24  LEU  HA     24  LEU  HB-       5.5   (#   381:20 Unique)
 &rst
  ixpk= 381, nxpk= 20, iat= 348,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 350, 351,
 &end
#
#   100  ALA  MB     76  GLY  HA+       5.5   (#   382:20 Unique)
 &rst
  ixpk= 382, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1500,1501,1502,
 igr2=1131,1132,
 &end
#
#     0  AMB  20-2:384  76  GLY  HA-       3.5   (#   384:20 Single)
 &rst
  ixpk= 384, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 336, 337, 338, 340, 341, 342, 336, 337, 338, 340,
       341, 342,
 igr2=1131,1132,
 &end
#
#     0  AMB  20-2:386   0  AMB  20-1:386     2.8   (#   386:20 Double)
 &rst
  ixpk= 386, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1500,1501,1502, 355, 356, 357, 359, 360, 361,
 igr2= 350, 351, 350, 351,
 &end
#
#    24  LEU  HN     24  LEU  HB-       5.5   (#   387:20 Unique)
 &rst
  ixpk= 387, nxpk= 20, iat= 346,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 350, 351,
 &end
#
#     0  AMB  20-2:388   0  AMB  20-1:388     3.5   (#   388:20 Double)
 &rst
  ixpk= 388, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 336, 337, 338, 340, 341, 342, 336, 337, 338, 340,
       341, 342,
 igr2=1131,1132,1131,1132,
 &end
#
#    76  GLY  HN     76  GLY  HA-       7.0   (#   390:20 Unique)
 &rst
  ixpk= 390, nxpk= 20, iat=1129,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1131,1132,
 &end
#
#    23  VAL  HA     76  GLY  HA-       3.5   (#   391:20 Unique)
 &rst
  ixpk= 391, nxpk= 20, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1131,1132,
 &end
#
#    79  ILE  QD1    22  TYR  HB+       5.5   (#   392:20 Unique)
 &rst
  ixpk= 392, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1180,1181,1182,
 igr2= 313, 314,
 &end
#
#     0  AMB  20-2:393  22  TYR  HB-       5.5   (#   393:20 Single)
 &rst
  ixpk= 393, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 691,1536,
 igr2= 313, 314,
 &end
#
#    24  LEU  HA     24  LEU  HB+       5.5   (#   394:20 Unique)
 &rst
  ixpk= 394, nxpk= 20, iat= 348,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 350, 351,
 &end
#
#     0  AMB  20-2:396   0  AMB  20-1:396     5.5   (#   396:20 Double)
 &rst
  ixpk= 396, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 196, 197, 198, 650, 651, 652, 654, 655, 656,
 igr2= 313, 314, 313, 314,
 &end
#
#    22  TYR  HA     22  TYR  HB+       4.5   (#   397:20 Unique)
 &rst
  ixpk= 397, nxpk= 20, iat= 311,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 313, 314,
 &end
#
#    22  TYR  HA     22  TYR  HB-       4.5   (#   398:20 Unique)
 &rst
  ixpk= 398, nxpk= 20, iat= 311,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 313, 314,
 &end
#
#    79  ILE  QD1    22  TYR  HB-       4.5   (#   400:20 Unique)
 &rst
  ixpk= 400, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1180,1181,1182,
 igr2= 313, 314,
 &end
#
#    98  GLY  HN     98  GLY  HA+       3.5   (#   401:20 Unique)
 &rst
  ixpk= 401, nxpk= 20, iat=1475,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1477,1478,
 &end
#
#    98  GLY  HN     98  GLY  HA-       3.5   (#   402:20 Unique)
 &rst
  ixpk= 402, nxpk= 20, iat=1475,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1477,1478,
 &end
#
#    99  PRO  HD-    98  GLY  HA+       3.5   (#   403:20 Unique)
 &rst
  ixpk= 403, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1483,1484,
 igr2=1477,1478,
 &end
#
#    99  PRO  HD+    98  GLY  HA+       3.5   (#   404:20 Unique)
 &rst
  ixpk= 404, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1483,1484,
 igr2=1477,1478,
 &end
#
#    70  ASP  HA     70  ASP  HB+       3.5   (#   405:20 Unique)
 &rst
  ixpk= 405, nxpk= 20, iat=1056,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1058,1059,
 &end
#
#    70  ASP  HN     70  ASP  HB+       3.5   (#   406:20 Unique)
 &rst
  ixpk= 406, nxpk= 20, iat=1054,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1058,1059,
 &end
#
#    71  CYS  HN     70  ASP  HB+       3.5   (#   407:20 Unique)
 &rst
  ixpk= 407, nxpk= 20, iat=1066,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1058,1059,
 &end
#
#    70  ASP  HN     70  ASP  HB-       3.5   (#   408:20 Unique)
 &rst
  ixpk= 408, nxpk= 20, iat=1054,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1058,1059,
 &end
#
#    70  ASP  HA     70  ASP  HB-       3.5   (#   409:20 Unique)
 &rst
  ixpk= 409, nxpk= 20, iat=1056,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1058,1059,
 &end
#
#    69  CYS  HA     70  ASP  HB-       4.5   (#   410:20 Unique)
 &rst
  ixpk= 410, nxpk= 20, iat=1045,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1058,1059,
 &end
#
#    78  ARG  HG-    78  ARG  HD-       5.5   (#   411:20 Unique)
 &rst
  ixpk= 411, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1150,1151,
 igr2=1153,1154,
 &end
#
#    78  ARG  HB-    78  ARG  HD-       5.5   (#   412:20 Unique)
 &rst
  ixpk= 412, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1147,1148,
 igr2=1153,1154,
 &end
#
#     0  AMB  20-2:414   0  AMB  20-1:414     3.5   (#   414:20 Double)
 &rst
  ixpk= 414, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1150,1151, 297, 298,
 igr2=1153,1154,1153,1154,
 &end
#
#    78  ARG  HG-    78  ARG  HD+       4.5   (#   415:20 Unique)
 &rst
  ixpk= 415, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1150,1151,
 igr2=1153,1154,
 &end
#
#    19  VAL  MGX    78  ARG  HD+       3.5   (#   416:20 Unique)
 &rst
  ixpk= 416, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 257, 258, 259, 261, 262, 263,
 igr2=1153,1154,
 &end
#
#    78  ARG  HA     78  ARG  HD-       5.5   (#   417:20 Unique)
 &rst
  ixpk= 417, nxpk= 20, iat=1145,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1153,1154,
 &end
#
#    19  VAL  MGX    78  ARG  HD-       3.5   (#   418:20 Unique)
 &rst
  ixpk= 418, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 257, 258, 259, 261, 262, 263,
 igr2=1153,1154,
 &end
#
#     0  AMB  20-2:419  78  ARG  HD-       4.5   (#   419:20 Single)
 &rst
  ixpk= 419, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1150,1151, 297, 298,
 igr2=1153,1154,
 &end
#
#     0  AMB  20-2:421   0  AMB  20-1:421     4.5   (#   421:20 Double)
 &rst
  ixpk= 421, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1122,1475,
 igr2=1124,1125,1124,1125,
 &end
#
#     0  AMB  20-2:422  75  GLY  HA-       4.5   (#   422:20 Single)
 &rst
  ixpk= 422, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1122,1475,
 igr2=1124,1125,
 &end
#
#    76  GLY  HN     75  GLY  HA+       4.5   (#   426:20 Unique)
 &rst
  ixpk= 426, nxpk= 20, iat=1129,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1124,1125,
 &end
#
#     0  AMB  20-2:427   0  AMB  20-1:427     4.5   (#   427:20 Double)
 &rst
  ixpk= 427, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1500,1501,1502, 355, 356, 357, 359, 360, 361,
 igr2=1124,1125,1124,1125,
 &end
#
#   100  ALA  HA     75  GLY  HA-       4.5   (#   428:20 Unique)
 &rst
  ixpk= 428, nxpk= 20, iat=1498,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1124,1125,
 &end
#
#    76  GLY  HN     75  GLY  HA-       3.5   (#   429:20 Unique)
 &rst
  ixpk= 429, nxpk= 20, iat=1129,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1124,1125,
 &end
#
#    26  ARG  HG+    26  ARG  HD+       3.5   (#   430:20 Unique)
 &rst
  ixpk= 430, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 391, 392,
 igr2= 394, 395,
 &end
#
#    26  ARG  HG-    26  ARG  HD-       5.5   (#   431:20 Unique)
 &rst
  ixpk= 431, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 391, 392,
 igr2= 394, 395,
 &end
#
#     0  AMB  20-2:433  25  ILE  HB        2.8   (#   433:20 Single)
 &rst
  ixpk= 433, nxpk= 20, iat=  -1, 369, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 371, 372, 373, 414, 415, 416, 418, 419, 420,
 &end
#
#     0  AMB  20-2:434  75  GLY  HA-       4.5   (#   434:20 Single)
 &rst
  ixpk= 434, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1500,1501,1502, 355, 356, 357, 359, 360, 361,
 igr2=1124,1125,
 &end
#
#    43  ILE  QD1    25  ILE  HB        4.5   (#   435:20 Unique)
 &rst
  ixpk= 435, nxpk= 20, iat=  -1, 369, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 638, 639, 640,
 &end
#
#    12  VAL  MGY   108  LYS  HE+       5.5   (#   439:20 Unique)
 &rst
  ixpk= 439, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 168, 169, 170, 172, 173, 174,
 igr2=1622,1623,
 &end
#
#     0  AMB  20-2:440   0  AMB  20-1:440     2.8   (#   440:20 Double)
 &rst
  ixpk= 440, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 297, 298,1692,1693,
 igr2= 300, 301,1695,1696,
 &end
#
#     0  AMB  20-2:441   0  AMB  20-1:441     3.5   (#   441:20 Double)
 &rst
  ixpk= 441, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 297, 298,1692,1693,
 igr2= 300, 301,1695,1696,
 &end
#
#   112  LYS  HG+   112  LYS  HE+       2.8   (#   442:20 Unique)
 &rst
  ixpk= 442, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1689,1690,
 igr2=1695,1696,
 &end
#
#   104  ILE  QG2   108  LYS  HE-       3.5   (#   443:20 Unique)
 &rst
  ixpk= 443, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1556,1557,1558,
 igr2=1622,1623,
 &end
#
#     0  AMB  20-2:444   0  AMB  20-1:444     3.5   (#   444:20 Double)
 &rst
  ixpk= 444, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1616,1617, 297, 298,1692,1693,
 igr2=1622,1623, 300, 301,1695,1696,
 &end
#
#   124  GLY  HN    123  ASP  HB+       3.5   (#   445:20 Unique)
 &rst
  ixpk= 445, nxpk= 20, iat=1877,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1869,1870,
 &end
#
#   110  LYS  HG+   110  LYS  HE+       3.5   (#   446:20 Unique)
 &rst
  ixpk= 446, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1657,1658,
 igr2=1663,1664,
 &end
#
#   118  VAL  HB    110  LYS  HE+       4.5   (#   447:20 Unique)
 &rst
  ixpk= 447, nxpk= 20, iat=1791,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1663,1664,
 &end
#
#     0  AMB  20-2:448   0  AMB  20-1:448     2.8   (#   448:20 Double)
 &rst
  ixpk= 448, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1657,1658,1660,1661,
 igr2=1663,1664,1663,1664,
 &end
#
#     0  AMB  20-2:449 110  LYS  HE-       3.5   (#   449:20 Single)
 &rst
  ixpk= 449, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1654,1655,1660,1661,
 igr2=1663,1664,
 &end
#
#     0  AMB  20-2:450 110  LYS  HE-       3.5   (#   450:20 Single)
 &rst
  ixpk= 450, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1657,1658,1660,1661,
 igr2=1663,1664,
 &end
#
#   110  LYS  HG+   110  LYS  HE-       3.5   (#   451:20 Unique)
 &rst
  ixpk= 451, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1657,1658,
 igr2=1663,1664,
 &end
#
#     0  AMB  20-2:452   0  AMB  20-1:452     3.5   (#   452:20 Double)
 &rst
  ixpk= 452, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 614, 615,1613,
 igr2=1622,1623,1622,1623,
 &end
#
#   108  LYS  HD+   108  LYS  HE+       3.5   (#   453:20 Unique)
 &rst
  ixpk= 453, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1619,1620,
 igr2=1622,1623,
 &end
#
#   104  ILE  QG2   108  LYS  HE+       3.5   (#   454:20 Unique)
 &rst
  ixpk= 454, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1556,1557,1558,
 igr2=1622,1623,
 &end
#
#    42  GLU  HN    108  LYS  HE+       5.5   (#   455:20 Unique)
 &rst
  ixpk= 455, nxpk= 20, iat= 610,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1622,1623,
 &end
#
#     0  AMB  20-2:456   0  AMB  20-1:456     4.5   (#   456:20 Double)
 &rst
  ixpk= 456, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 614, 615, 166,1613,
 igr2=1622,1623,1695,1696,
 &end
#
#     0  AMB  20-2:457   0  AMB  20-1:457     3.5   (#   457:20 Double)
 &rst
  ixpk= 457, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 631, 632, 633, 123, 124, 125,
 igr2= 601, 602, 601, 602,
 &end
#
#   123  ASP  HN    123  ASP  HB+       3.5   (#   458:20 Unique)
 &rst
  ixpk= 458, nxpk= 20, iat=1865,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1869,1870,
 &end
#
#   123  ASP  HA    123  ASP  HB+       2.8   (#   459:20 Unique)
 &rst
  ixpk= 459, nxpk= 20, iat=1867,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1869,1870,
 &end
#
#   121  ALA  MB    123  ASP  HB+       3.5   (#   460:20 Unique)
 &rst
  ixpk= 460, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1845,1846,1847,
 igr2=1869,1870,
 &end
#
#    41  LYS  HD-    41  LYS  HE-       4.5   (#   461:20 Unique)
 &rst
  ixpk= 461, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 598, 599,
 igr2= 601, 602,
 &end
#
#    41  LYS  HE-     9  ILE  HB         5.5   (#   462:20 Single)
 &rst
  ixpk= 462, nxpk= 20, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 601, 602,
 &end
#
#     0  AMB  20-2:463  41  LYS  HE-       3.5   (#   463:20 Single)
 &rst
  ixpk= 463, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 595, 596, 414, 415, 416, 418, 419, 420,
 igr2= 601, 602,
 &end
#
#   110  LYS  HB-   110  LYS  HE+       5.5   (#   464:20 Unique)
 &rst
  ixpk= 464, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1654,1655,
 igr2=1663,1664,
 &end
#
#    66  LYS  HE+    63  ASP  HA         4.5   (#   465:20 Unique)
 &rst
  ixpk= 465, nxpk= 20, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1010,1011,
 &end
#
#    66  LYS  HB+    66  LYS  HE+       3.5   (#   466:20 Unique)
 &rst
  ixpk= 466, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1001,1002,
 igr2=1010,1011,
 &end
#
#     0  AMB  20-2:467   0  AMB  20-1:467     2.8   (#   467:20 Double)
 &rst
  ixpk= 467, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1007,1008,1004,1005,
 igr2=1010,1011,1010,1011,
 &end
#
#    87  LYS  HB+    87  LYS  HE+       4.5   (#   468:20 Unique)
 &rst
  ixpk= 468, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1297,1298,
 igr2=1306,1307,
 &end
#
#    87  LYS  HG+    87  LYS  HE+       3.5   (#   469:20 Unique)
 &rst
  ixpk= 469, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1300,1301,
 igr2=1306,1307,
 &end
#
#     0  AMB  20-2:470   0  AMB  20-1:470     2.8   (#   470:20 Double)
 &rst
  ixpk= 470, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr1=1619,1620, 905, 906, 905, 906,1614,1616,1617,1692,
      1693,
 igr2=1622,1623, 908, 909, 908, 909,1695,1696,
 &end
#
#    59  LYS  HG+    59  LYS  HE+       2.8   (#   471:20 Unique)
 &rst
  ixpk= 471, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 902, 903,
 igr2= 908, 909,
 &end
#
#    41  LYS  HE+     9  ILE  HB         3.5   (#   472:20 Double)
 &rst
  ixpk= 472, nxpk= 20, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 601, 602,
 &end
#
#    41  LYS  HG+    41  LYS  HE+       5.5   (#   473:20 Unique)
 &rst
  ixpk= 473, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 595, 596,
 igr2= 601, 602,
 &end
#
#    13  ASP  HN     13  ASP  HB3       5.5   (#   474:20 Unique)
 &rst
  ixpk= 474, nxpk= 20, iat= 178, 183, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    41  LYS  HG+    41  LYS  HE-       5.5   (#   475:20 Unique)
 &rst
  ixpk= 475, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 595, 596,
 igr2= 601, 602,
 &end
#
#    41  LYS  HD+    41  LYS  HE-       4.5   (#   476:20 Unique)
 &rst
  ixpk= 476, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 598, 599,
 igr2= 601, 602,
 &end
#
#     0  AMB  20-2:477  41  LYS  HE-       3.5   (#   477:20 Single)
 &rst
  ixpk= 477, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 631, 632, 633, 123, 124, 125,
 igr2= 601, 602,
 &end
#
#    66  LYS  HN     66  LYS  HE+       5.5   (#   478:20 Unique)
 &rst
  ixpk= 478, nxpk= 20, iat= 997,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1010,1011,
 &end
#
#   117  GLU  HG+    87  LYS  HE+       5.5   (#   479:20 Unique)
 &rst
  ixpk= 479, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1779,1780,
 igr2=1306,1307,
 &end
#
#   117  GLU  HB+    87  LYS  HE+       7.0   (#   480:20 Unique)
 &rst
  ixpk= 480, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1776,1777,
 igr2=1306,1307,
 &end
#
#     0  AMB  20-2:481   0  AMB  20-1:481     2.8   (#   481:20 Double)
 &rst
  ixpk= 481, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1303,1304,1303,1304,
 igr2=1306,1307,1306,1307,
 &end
#
#    87  LYS  HG-    87  LYS  HE+       2.8   (#   482:20 Unique)
 &rst
  ixpk= 482, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1300,1301,
 igr2=1306,1307,
 &end
#
#    49  TRP  HZ2    59  LYS  HE+       5.5   (#   483:20 Unique)
 &rst
  ixpk= 483, nxpk= 20, iat= 747,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 908, 909,
 &end
#
#     0  AMB  20-2:484  13  ASP  HB2       5.5   (#   484:20 Single)
 &rst
  ixpk= 484, nxpk= 20, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 162, 190,
 &end
#
#     0  AMB  20-2:485   0  AMB  20-1:485     4.5   (#   485:20 Double)
 &rst
  ixpk= 485, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 895, 749,
 igr2= 908, 909, 908, 909,
 &end
#
#    13  ASP  HA     13  ASP  HB2       3.5   (#   486:20 Unique)
 &rst
  ixpk= 486, nxpk= 20, iat= 180, 182, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  20-2:488   0  AMB  20-1:488     3.5   (#   488:20 Double)
 &rst
  ixpk= 488, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=  98, 117,
 igr2= 102, 103, 102, 103,
 &end
#
#     8  LEU  MDX     8  LEU  HB+       2.8   (#   489:20 Unique)
 &rst
  ixpk= 489, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 107, 108, 109, 111, 112, 113,
 igr2= 102, 103,
 &end
#
#     8  LEU  HA      8  LEU  HB+       3.5   (#   490:20 Unique)
 &rst
  ixpk= 490, nxpk= 20, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 102, 103,
 &end
#
#     8  LEU  HB+     8  LEU  MDY        3.5   (#   491:20 Unique)
 &rst
  ixpk= 491, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 102, 103,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#     0  AMB  20-2:492   8  LEU  HB-       3.5   (#   492:20 Single)
 &rst
  ixpk= 492, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  98, 117,
 igr2= 102, 103,
 &end
#
#     8  LEU  HA      8  LEU  HB-       3.5   (#   493:20 Unique)
 &rst
  ixpk= 493, nxpk= 20, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 102, 103,
 &end
#
#     8  LEU  MDX     8  LEU  HB-       3.5   (#   494:20 Unique)
 &rst
  ixpk= 494, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 107, 108, 109, 111, 112, 113,
 igr2= 102, 103,
 &end
#
#    49  TRP  HZ3    55  ASP  HB2       4.5   (#   495:20 Unique)
 &rst
  ixpk= 495, nxpk= 20, iat= 751, 835, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    50  ALA  HA     55  ASP  HB2       5.5   (#   496:20 Unique)
 &rst
  ixpk= 496, nxpk= 20, iat= 760, 835, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    50  ALA  MB     55  ASP  HB2       3.5   (#   497:20 Unique)
 &rst
  ixpk= 497, nxpk= 20, iat=  -1, 835, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 762, 763, 764,
 &end
#
#    55  ASP  HA     55  ASP  HB3       3.5   (#   498:20 Unique)
 &rst
  ixpk= 498, nxpk= 20, iat= 833, 836, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    56  ILE  HN     55  ASP  HB2       5.5   (#   499:20 Unique)
 &rst
  ixpk= 499, nxpk= 20, iat= 843, 835, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    55  ASP  HA     55  ASP  HB2       3.5   (#   500:20 Unique)
 &rst
  ixpk= 500, nxpk= 20, iat= 833, 835, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    56  ILE  HN     55  ASP  HB3       7.0   (#   501:20 Unique)
 &rst
  ixpk= 501, nxpk= 20, iat= 843, 836, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    50  ALA  HA     55  ASP  HB3       5.5   (#   502:20 Unique)
 &rst
  ixpk= 502, nxpk= 20, iat= 760, 836, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    55  ASP  HN     55  ASP  HB3       4.5   (#   503:20 Unique)
 &rst
  ixpk= 503, nxpk= 20, iat= 831, 836, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    49  TRP  HZ3    55  ASP  HB3       4.5   (#   504:20 Unique)
 &rst
  ixpk= 504, nxpk= 20, iat= 751, 836, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    50  ALA  MB     55  ASP  HB3       4.5   (#   505:20 Unique)
 &rst
  ixpk= 505, nxpk= 20, iat=  -1, 836, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 762, 763, 764,
 &end
#
#     6  LEU  HN      6  LEU  HB2       4.5   (#   506:20 Unique)
 &rst
  ixpk= 506, nxpk= 20, iat=  69,  73, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     6  LEU  HB3     6  LEU  HA         3.5   (#   507:20 Unique)
 &rst
  ixpk= 507, nxpk= 20, iat=  74,  71, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     6  LEU  HB3     6  LEU  HN         5.5   (#   508:20 Unique)
 &rst
  ixpk= 508, nxpk= 20, iat=  74,  69, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    12  VAL  HN     11  ASP  HB+       3.5   (#   509:20 Unique)
 &rst
  ixpk= 509, nxpk= 20, iat= 162,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 154, 155,
 &end
#
#    11  ASP  HB+    12  VAL  MGX        3.5   (#   510:20 Double)
 &rst
  ixpk= 510, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 154, 155,
 igr2= 168, 169, 170, 172, 173, 174,
 &end
#
#     5  ASP  HN      5  ASP  HB+       3.5   (#   511:20 Unique)
 &rst
  ixpk= 511, nxpk= 20, iat=  57,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  61,  62,
 &end
#
#     5  ASP  HA      5  ASP  HB+       3.5   (#   512:20 Unique)
 &rst
  ixpk= 512, nxpk= 20, iat=  59,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  61,  62,
 &end
#
#     0  AMB  20-2:513   0  AMB  20-1:513     3.5   (#   513:20 Double)
 &rst
  ixpk= 513, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 107, 108, 109, 111, 112, 113,  37,  38,  39,  41,
        42,  43,  37,  38,  39,  41,  42,  43,
 igr2=  61,  62,  61,  62,  61,  62,
 &end
#
#     5  ASP  HN      5  ASP  HB-       3.5   (#   514:20 Unique)
 &rst
  ixpk= 514, nxpk= 20, iat=  57,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  61,  62,
 &end
#
#    12  VAL  HN     11  ASP  HB-       5.5   (#   515:20 Unique)
 &rst
  ixpk= 515, nxpk= 20, iat= 162,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 154, 155,
 &end
#
#     5  ASP  HA      5  ASP  HB-       2.8   (#   516:20 Unique)
 &rst
  ixpk= 516, nxpk= 20, iat=  59,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=  61,  62,
 &end
#
#    11  ASP  HA     11  ASP  HB-       3.5   (#   517:20 Unique)
 &rst
  ixpk= 517, nxpk= 20, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 154, 155,
 &end
#
#     6  LEU  HN      5  ASP  HB-       5.5   (#   518:20 Unique)
 &rst
  ixpk= 518, nxpk= 20, iat=  69,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  61,  62,
 &end
#
#    43  ILE  QG2    11  ASP  HB-       5.5   (#   519:20 Unique)
 &rst
  ixpk= 519, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 631, 632, 633,
 igr2= 154, 155,
 &end
#
#     6  LEU  HB2     6  LEU  HA         4.5   (#   520:20 Unique)
 &rst
  ixpk= 520, nxpk= 20, iat=  73,  71, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     6  LEU  MDX     6  LEU  HB2       2.8   (#   521:20 Unique)
 &rst
  ixpk= 521, nxpk= 20, iat=  -1,  73, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=  78,  79,  80,  82,  83,  84,
 &end
#
#     6  LEU  HB2     7  ALA  HN         5.5   (#   522:20 Unique)
 &rst
  ixpk= 522, nxpk= 20, iat=  73,  88, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    11  ASP  HA     11  ASP  HB+       3.5   (#   523:20 Unique)
 &rst
  ixpk= 523, nxpk= 20, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 154, 155,
 &end
#
#     8  LEU  HG      5  ASP  HB+       4.5   (#   524:20 Unique)
 &rst
  ixpk= 524, nxpk= 20, iat= 105,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  61,  62,
 &end
#
#     5  ASP  HB-     8  LEU  HG         3.5   (#   525:20 Double)
 &rst
  ixpk= 525, nxpk= 20, iat=  -1, 105, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  61,  62,
 &end
#
#     5  ASP  HB-     8  LEU  MDX        4.5   (#   526:20 Single)
 &rst
  ixpk= 526, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=  61,  62,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#    11  ASP  HB-    12  VAL  MGX        4.5   (#   527:20 Single)
 &rst
  ixpk= 527, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 154, 155,
 igr2= 168, 169, 170, 172, 173, 174,
 &end
#
#    74  LEU  HA     74  LEU  HB3       3.5   (#   528:20 Unique)
 &rst
  ixpk= 528, nxpk= 20, iat=1105,1108, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    74  LEU  HA     74  LEU  HB2       4.5   (#   529:20 Unique)
 &rst
  ixpk= 529, nxpk= 20, iat=1105,1107, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    11  ASP  HA     43  ILE  HB        5.5   (#   530:20 Unique)
 &rst
  ixpk= 530, nxpk= 20, iat= 152, 629, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    45  ARG  HE     43  ILE  HB        5.5   (#   531:20 Unique)
 &rst
  ixpk= 531, nxpk= 20, iat= 673, 629, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    44  VAL  HN     43  ILE  HB        3.5   (#   532:20 Unique)
 &rst
  ixpk= 532, nxpk= 20, iat= 644, 629, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    43  ILE  HA     43  ILE  HB        3.5   (#   533:20 Unique)
 &rst
  ixpk= 533, nxpk= 20, iat= 627, 629, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    43  ILE  QG2    43  ILE  HB        2.8   (#   534:20 Unique)
 &rst
  ixpk= 534, nxpk= 20, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 631, 632, 633,
 &end
#
#    43  ILE  QD1    43  ILE  HB        3.5   (#   535:20 Unique)
 &rst
  ixpk= 535, nxpk= 20, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 638, 639, 640,
 &end
#
#    43  ILE  HG1-   43  ILE  HB        5.5   (#   536:20 Unique)
 &rst
  ixpk= 536, nxpk= 20, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 635, 636,
 &end
#
#    93  TYR  HD     93  TYR  HB+       3.5   (#   538:20 Unique)
 &rst
  ixpk= 538, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1403,1412,
 igr2=1399,1400,
 &end
#
#    93  TYR  HD     93  TYR  HB-       4.5   (#   539:20 Unique)
 &rst
  ixpk= 539, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1403,1412,
 igr2=1399,1400,
 &end
#
#    93  TYR  HA     93  TYR  HB-       4.5   (#   540:20 Unique)
 &rst
  ixpk= 540, nxpk= 20, iat=1397,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1399,1400,
 &end
#
#    97  TYR  HD     97  TYR  HB-       4.5   (#   542:20 Unique)
 &rst
  ixpk= 542, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1462,1471,
 igr2=1458,1459,
 &end
#
#    97  TYR  HA     97  TYR  HB+       3.5   (#   544:20 Unique)
 &rst
  ixpk= 544, nxpk= 20, iat=1456,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1458,1459,
 &end
#
#    97  TYR  HD     97  TYR  HB+       3.5   (#   545:20 Unique)
 &rst
  ixpk= 545, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1462,1471,
 igr2=1458,1459,
 &end
#
#     0  AMB  20-2:546  52  TYR  HB-       2.8   (#   546:20 Single)
 &rst
  ixpk= 546, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 791, 800, 831,
 igr2= 787, 788,
 &end
#
#    58  ASP  HN     58  ASP  HB+       2.8   (#   549:20 Unique)
 &rst
  ixpk= 549, nxpk= 20, iat= 883,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 887, 888,
 &end
#
#    20  PHE  HA     20  PHE  HB-       4.5   (#   550:20 Unique)
 &rst
  ixpk= 550, nxpk= 20, iat= 269,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 271, 272,
 &end
#
#    58  ASP  HN     58  ASP  HB-       3.5   (#   551:20 Unique)
 &rst
  ixpk= 551, nxpk= 20, iat= 883,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 887, 888,
 &end
#
#     0  AMB  20-2:552   0  AMB  20-1:552     4.5   (#   552:20 Double)
 &rst
  ixpk= 552, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 919, 946, 947, 845,
 igr2= 955, 887, 888,
 &end
#
#    63  ASP  HA     63  ASP  HB3       3.5   (#   553:20 Unique)
 &rst
  ixpk= 553, nxpk= 20, iat= 953, 956, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    64  MET  HN     63  ASP  HB3       4.5   (#   554:20 Unique)
 &rst
  ixpk= 554, nxpk= 20, iat= 963, 956, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    59  LYS  HN     58  ASP  HB+       3.5   (#   555:20 Unique)
 &rst
  ixpk= 555, nxpk= 20, iat= 895,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 887, 888,
 &end
#
#    58  ASP  HA     58  ASP  HB+       3.5   (#   556:20 Unique)
 &rst
  ixpk= 556, nxpk= 20, iat= 885,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 887, 888,
 &end
#
#    59  LYS  HN     58  ASP  HB-       3.5   (#   557:20 Unique)
 &rst
  ixpk= 557, nxpk= 20, iat= 895,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 887, 888,
 &end
#
#    58  ASP  HA     58  ASP  HB-       3.5   (#   558:20 Unique)
 &rst
  ixpk= 558, nxpk= 20, iat= 885,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 887, 888,
 &end
#
#    63  ASP  HA     63  ASP  HB2       2.8   (#   559:20 Unique)
 &rst
  ixpk= 559, nxpk= 20, iat= 953, 955, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    64  MET  HN     63  ASP  HB2       4.5   (#   560:20 Unique)
 &rst
  ixpk= 560, nxpk= 20, iat= 963, 955, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    63  ASP  HN     63  ASP  HB2       3.5   (#   561:20 Unique)
 &rst
  ixpk= 561, nxpk= 20, iat= 951, 955, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    63  ASP  HN     63  ASP  HB3       2.8   (#   562:20 Unique)
 &rst
  ixpk= 562, nxpk= 20, iat= 951, 956, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    60  VAL  HA     63  ASP  HB3       3.5   (#   563:20 Unique)
 &rst
  ixpk= 563, nxpk= 20, iat= 919, 956, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    55  ASP  HA     58  ASP  HB+       4.5   (#   564:20 Unique)
 &rst
  ixpk= 564, nxpk= 20, iat= 833,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 887, 888,
 &end
#
#   125  TYR  HA    125  TYR  HB+       3.5   (#   565:20 Unique)
 &rst
  ixpk= 565, nxpk= 20, iat=1886,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1888,1889,
 &end
#
#   125  TYR  HN    125  TYR  HB+       4.5   (#   566:20 Unique)
 &rst
  ixpk= 566, nxpk= 20, iat=1884,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1888,1889,
 &end
#
#   125  TYR  HD    125  TYR  HB+       2.8   (#   567:20 Unique)
 &rst
  ixpk= 567, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1892,1901,
 igr2=1888,1889,
 &end
#
#   125  TYR  HN    125  TYR  HB-       4.5   (#   568:20 Unique)
 &rst
  ixpk= 568, nxpk= 20, iat=1884,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1888,1889,
 &end
#
#   125  TYR  HD    125  TYR  HB-       2.8   (#   569:20 Unique)
 &rst
  ixpk= 569, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1892,1901,
 igr2=1888,1889,
 &end
#
#   125  TYR  HA    125  TYR  HB-       3.5   (#   570:20 Unique)
 &rst
  ixpk= 570, nxpk= 20, iat=1886,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1888,1889,
 &end
#
#     9  ILE  HA      9  ILE  HB        4.5   (#   571:20 Unique)
 &rst
  ixpk= 571, nxpk= 20, iat= 119, 121, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     0  AMB  20-2:574   9  ILE  HB        2.8   (#   574:20 Single)
 &rst
  ixpk= 574, nxpk= 20, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 123, 124, 125, 130, 131, 132,
 &end
#
#     9  ILE  HN      9  ILE  HB        2.8   (#   575:20 Unique)
 &rst
  ixpk= 575, nxpk= 20, iat= 117, 121, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    41  LYS  HE+     9  ILE  HB        5.5   (#   576:20 Unique)
 &rst
  ixpk= 576, nxpk= 20, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 601, 602,
 &end
#
#     9  ILE  HG1+    9  ILE  HB        4.5   (#   577:20 Unique)
 &rst
  ixpk= 577, nxpk= 20, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 127, 128,
 &end
#
#   122  ASN  HD2-  122  ASN  HB-       5.5   (#   578:20 Unique)
 &rst
  ixpk= 578, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1860,1861,
 igr2=1855,1856,
 &end
#
#    57  TYR  HN     56  ILE  HB        4.5   (#   579:20 Unique)
 &rst
  ixpk= 579, nxpk= 20, iat= 862, 847, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     0  AMB  20-2:580  56  ILE  HB        2.8   (#   580:20 Single)
 &rst
  ixpk= 580, nxpk= 20, iat=  -1, 847, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 336, 337, 338, 340, 341, 342, 336, 337, 338, 340,
       341, 342, 856, 857, 858,
 &end
#
#    56  ILE  HN     56  ILE  HB        3.5   (#   581:20 Unique)
 &rst
  ixpk= 581, nxpk= 20, iat= 843, 847, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    56  ILE  HA     56  ILE  HB        4.5   (#   582:20 Unique)
 &rst
  ixpk= 582, nxpk= 20, iat= 845, 847, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   122  ASN  HA    122  ASN  HB+       3.5   (#   583:20 Unique)
 &rst
  ixpk= 583, nxpk= 20, iat=1853,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1855,1856,
 &end
#
#   122  ASN  HA    122  ASN  HB-       3.5   (#   584:20 Unique)
 &rst
  ixpk= 584, nxpk= 20, iat=1853,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1855,1856,
 &end
#
#   122  ASN  HN    122  ASN  HB-       4.5   (#   585:20 Unique)
 &rst
  ixpk= 585, nxpk= 20, iat=1851,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1855,1856,
 &end
#
#   122  ASN  HD2+  122  ASN  HB-       5.5   (#   586:20 Unique)
 &rst
  ixpk= 586, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1860,1861,
 igr2=1855,1856,
 &end
#
#    56  ILE  HG1+   56  ILE  HB        5.5   (#   587:20 Unique)
 &rst
  ixpk= 587, nxpk= 20, iat=  -1, 847, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 853, 854,
 &end
#
#   122  ASN  HD2+  122  ASN  HB+       5.5   (#   588:20 Unique)
 &rst
  ixpk= 588, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1860,1861,
 igr2=1855,1856,
 &end
#
#    57  TYR  HN     57  TYR  HB3       4.5   (#   589:20 Unique)
 &rst
  ixpk= 589, nxpk= 20, iat= 862, 867, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   109  ILE  HN    109  ILE  HB        4.5   (#   590:20 Unique)
 &rst
  ixpk= 590, nxpk= 20, iat=1631,1635, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   118  VAL  MGY   109  ILE  HB        3.5   (#   591:20 Unique)
 &rst
  ixpk= 591, nxpk= 20, iat=  -1,1635, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1793,1794,1795,1797,1798,1799,
 &end
#
#   109  ILE  QD1   109  ILE  HB        4.5   (#   592:20 Unique)
 &rst
  ixpk= 592, nxpk= 20, iat=  -1,1635, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1644,1645,1646,
 &end
#
#     0  AMB  20-2:593 109  ILE  HB        3.5   (#   593:20 Single)
 &rst
  ixpk= 593, nxpk= 20, iat=  -1,1635, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1582,1633,
 &end
#
#    57  TYR  HD     57  TYR  HB3       3.5   (#   594:20 Unique)
 &rst
  ixpk= 594, nxpk= 20, iat=  -1, 867, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 870, 879,
 &end
#
#     0  AMB  20-2:595  57  TYR  HB3       3.5   (#   595:20 Single)
 &rst
  ixpk= 595, nxpk= 20, iat=  -1, 867, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 336, 337, 338, 340, 341, 342, 336, 337, 338, 340,
       341, 342, 378, 379, 380,
 &end
#
#    91  TYR  HA     91  TYR  HB+       5.5   (#   596:20 Unique)
 &rst
  ixpk= 596, nxpk= 20, iat=1369,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1371,1372,
 &end
#
#    92  GLY  HN     91  TYR  HB+       4.5   (#   597:20 Unique)
 &rst
  ixpk= 597, nxpk= 20, iat=1388,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1371,1372,
 &end
#
#    91  TYR  HB+    91  TYR  HD         4.5   (#   598:20 Unique)
 &rst
  ixpk= 598, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1371,1372,
 igr2=1375,1384,
 &end
#
#    57  TYR  HN     57  TYR  HB2       3.5   (#   599:20 Unique)
 &rst
  ixpk= 599, nxpk= 20, iat= 862, 866, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  20-2:600  57  TYR  HB2       3.5   (#   600:20 Single)
 &rst
  ixpk= 600, nxpk= 20, iat=  -1, 866, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 336, 337, 338, 340, 341, 342, 336, 337, 338, 340,
       341, 342,
 &end
#
#    57  TYR  HD     57  TYR  HB2       3.5   (#   601:20 Unique)
 &rst
  ixpk= 601, nxpk= 20, iat=  -1, 866, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 870, 879,
 &end
#
#    54  ALA  HA     57  TYR  HB2       5.5   (#   602:20 Unique)
 &rst
  ixpk= 602, nxpk= 20, iat= 823, 866, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    57  TYR  HA     57  TYR  HB2       3.5   (#   603:20 Unique)
 &rst
  ixpk= 603, nxpk= 20, iat= 864, 866, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    91  TYR  HA     91  TYR  HB-       4.5   (#   604:20 Unique)
 &rst
  ixpk= 604, nxpk= 20, iat=1369,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1371,1372,
 &end
#
#   121  ALA  MB     91  TYR  HB-       5.5   (#   605:20 Unique)
 &rst
  ixpk= 605, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1845,1846,1847,
 igr2=1371,1372,
 &end
#
#    92  GLY  HN     91  TYR  HB-       5.5   (#   606:20 Unique)
 &rst
  ixpk= 606, nxpk= 20, iat=1388,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1371,1372,
 &end
#
#   109  ILE  QG2   109  ILE  HB        3.5   (#   607:20 Unique)
 &rst
  ixpk= 607, nxpk= 20, iat=  -1,1635, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1637,1638,1639,
 &end
#
#    58  ASP  HN     57  TYR  HB3       4.5   (#   608:20 Unique)
 &rst
  ixpk= 608, nxpk= 20, iat= 883, 867, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    54  ALA  HA     57  TYR  HB3       4.5   (#   609:20 Unique)
 &rst
  ixpk= 609, nxpk= 20, iat= 823, 867, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    57  TYR  HA     57  TYR  HB3       4.5   (#   610:20 Unique)
 &rst
  ixpk= 610, nxpk= 20, iat= 864, 867, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    91  TYR  HB-    91  TYR  HD         3.5   (#   611:20 Unique)
 &rst
  ixpk= 611, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1371,1372,
 igr2=1375,1384,
 &end
#
#     0  AMB  20-2:612   0  AMB  20-1:612     5.5   (#   612:20 Double)
 &rst
  ixpk= 612, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 391, 392, 353,
 igr2= 617, 618, 617, 618,
 &end
#
#    42  GLU  HN     42  GLU  HG+       4.5   (#   614:20 Unique)
 &rst
  ixpk= 614, nxpk= 20, iat= 610,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 617, 618,
 &end
#
#    42  GLU  HA     42  GLU  HG+       3.5   (#   615:20 Unique)
 &rst
  ixpk= 615, nxpk= 20, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 617, 618,
 &end
#
#    26  ARG  HA     42  GLU  HG+       5.5   (#   616:20 Unique)
 &rst
  ixpk= 616, nxpk= 20, iat= 386,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 617, 618,
 &end
#
#     0  AMB  20-2:617   0  AMB  20-1:617     2.8   (#   617:20 Double)
 &rst
  ixpk= 617, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1=1112,1113,1114,1116,1117,1118, 355, 356, 357, 359,
       360, 361,1556,1557,1558,
 igr2= 617, 618, 617, 618, 617, 618,
 &end
#
#     0  AMB  20-2:618  42  GLU  HG-       4.5   (#   618:20 Single)
 &rst
  ixpk= 618, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 391, 392, 353,
 igr2= 617, 618,
 &end
#
#    42  GLU  HA     42  GLU  HG-       3.5   (#   619:20 Unique)
 &rst
  ixpk= 619, nxpk= 20, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 617, 618,
 &end
#
#    26  ARG  HA     42  GLU  HG-       4.5   (#   620:20 Unique)
 &rst
  ixpk= 620, nxpk= 20, iat= 386,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 617, 618,
 &end
#
#   117  GLU  HG+    87  LYS  HB-       4.5   (#   621:20 Unique)
 &rst
  ixpk= 621, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1779,1780,
 igr2=1297,1298,
 &end
#
#   105  SER  HN    104  ILE  HB        3.5   (#   622:20 Unique)
 &rst
  ixpk= 622, nxpk= 20, iat=1569,1554, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   104  ILE  HN    104  ILE  HB        3.5   (#   623:20 Unique)
 &rst
  ixpk= 623, nxpk= 20, iat=1550,1554, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   104  ILE  HA    104  ILE  HB        3.5   (#   624:20 Unique)
 &rst
  ixpk= 624, nxpk= 20, iat=1552,1554, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   104  ILE  HG1+  104  ILE  HB        3.5   (#   625:20 Unique)
 &rst
  ixpk= 625, nxpk= 20, iat=  -1,1554, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1560,1561,
 &end
#
#     0  AMB  20-2:626 104  ILE  HB        2.8   (#   626:20 Single)
 &rst
  ixpk= 626, nxpk= 20, iat=  -1,1554, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 355, 356, 357, 359, 360, 361,1556,1557,1558,1563,
      1564,1565,
 &end
#
#    87  LYS  HA     87  LYS  HB+       3.5   (#   627:20 Unique)
 &rst
  ixpk= 627, nxpk= 20, iat=1295,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1297,1298,
 &end
#
#    87  LYS  HA     87  LYS  HB-       4.5   (#   628:20 Unique)
 &rst
  ixpk= 628, nxpk= 20, iat=1295,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1297,1298,
 &end
#
#    72  GLU  HN     72  GLU  HG+       5.5   (#   629:20 Unique)
 &rst
  ixpk= 629, nxpk= 20, iat=1077,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1084,1085,
 &end
#
#    72  GLU  HA     72  GLU  HG+       3.5   (#   630:20 Unique)
 &rst
  ixpk= 630, nxpk= 20, iat=1079,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1084,1085,
 &end
#
#    74  LEU  MDY    72  GLU  HG-       5.5   (#   631:20 Unique)
 &rst
  ixpk= 631, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1112,1113,1114,1116,1117,1118,
 igr2=1084,1085,
 &end
#
#    74  LEU  MDY    72  GLU  HG+       4.5   (#   632:20 Unique)
 &rst
  ixpk= 632, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1112,1113,1114,1116,1117,1118,
 igr2=1084,1085,
 &end
#
#    72  GLU  HN     72  GLU  HG-       5.5   (#   633:20 Unique)
 &rst
  ixpk= 633, nxpk= 20, iat=1077,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1084,1085,
 &end
#
#    72  GLU  HA     72  GLU  HG-       3.5   (#   634:20 Unique)
 &rst
  ixpk= 634, nxpk= 20, iat=1079,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1084,1085,
 &end
#
#    39  GLU  HA     39  GLU  HG-       3.5   (#   635:20 Unique)
 &rst
  ixpk= 635, nxpk= 20, iat= 564,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 569, 570,
 &end
#
#    87  LYS  HB-   117  GLU  HG+       5.5   (#   636:20 Unique)
 &rst
  ixpk= 636, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1297,1298,
 igr2=1779,1780,
 &end
#
#   118  VAL  HN    117  GLU  HG+       4.5   (#   637:20 Unique)
 &rst
  ixpk= 637, nxpk= 20, iat=1787,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1779,1780,
 &end
#
#     0  AMB  20-2:638   0  AMB  20-1:638     4.5   (#   638:20 Double)
 &rst
  ixpk= 638, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 562, 552,
 igr2= 569, 570, 569, 570,
 &end
#
#    39  GLU  HA     39  GLU  HG+       3.5   (#   639:20 Unique)
 &rst
  ixpk= 639, nxpk= 20, iat= 564,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 569, 570,
 &end
#
#     0  AMB  20-2:640  39  GLU  HG-       3.5   (#   640:20 Single)
 &rst
  ixpk= 640, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 562, 552,
 igr2= 569, 570,
 &end
#
#   117  GLU  HA    117  GLU  HG+       3.5   (#   641:20 Unique)
 &rst
  ixpk= 641, nxpk= 20, iat=1774,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1779,1780,
 &end
#
#   117  GLU  HG+   119  THR  MG2        3.5   (#   642:20 Unique)
 &rst
  ixpk= 642, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1779,1780,
 igr2=1809,1810,1811,
 &end
#
#     6  LEU  MDX    39  GLU  HG+       4.5   (#   643:20 Unique)
 &rst
  ixpk= 643, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=  78,  79,  80,  82,  83,  84,
 igr2= 569, 570,
 &end
#
#   117  GLU  HA    117  GLU  HG-       3.5   (#   644:20 Unique)
 &rst
  ixpk= 644, nxpk= 20, iat=1774,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1779,1780,
 &end
#
#   119  THR  MG2   117  GLU  HG-       3.5   (#   645:20 Unique)
 &rst
  ixpk= 645, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1809,1810,1811,
 igr2=1779,1780,
 &end
#
#   118  VAL  HN    117  GLU  HG-       4.5   (#   646:20 Unique)
 &rst
  ixpk= 646, nxpk= 20, iat=1787,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1779,1780,
 &end
#
#    39  GLU  HG+    38  ALA  MB         5.5   (#   647:20 Unique)
 &rst
  ixpk= 647, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 569, 570,
 igr2= 556, 557, 558,
 &end
#
#    51  GLU  HA     51  GLU  HG-       3.5   (#   648:20 Unique)
 &rst
  ixpk= 648, nxpk= 20, iat= 770,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 775, 776,
 &end
#
#    51  GLU  HN     51  GLU  HG-       4.5   (#   649:20 Unique)
 &rst
  ixpk= 649, nxpk= 20, iat= 768,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 775, 776,
 &end
#
#    51  GLU  HN     51  GLU  HG+       4.5   (#   650:20 Unique)
 &rst
  ixpk= 650, nxpk= 20, iat= 768,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 775, 776,
 &end
#
#    51  GLU  HA     51  GLU  HG+       3.5   (#   651:20 Unique)
 &rst
  ixpk= 651, nxpk= 20, iat= 770,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 775, 776,
 &end
#
#   107  GLU  HN    107  GLU  HG+       3.5   (#   652:20 Unique)
 &rst
  ixpk= 652, nxpk= 20, iat=1594,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1601,1602,
 &end
#
#   107  GLU  HA    107  GLU  HG+       3.5   (#   653:20 Unique)
 &rst
  ixpk= 653, nxpk= 20, iat=1596,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1601,1602,
 &end
#
#   107  GLU  HA    107  GLU  HG-       3.5   (#   654:20 Unique)
 &rst
  ixpk= 654, nxpk= 20, iat=1596,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1601,1602,
 &end
#
#   107  GLU  HN    107  GLU  HG-       3.5   (#   655:20 Unique)
 &rst
  ixpk= 655, nxpk= 20, iat=1594,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1601,1602,
 &end
#
#    12  VAL  HA     12  VAL  HB        4.5   (#   656:20 Unique)
 &rst
  ixpk= 656, nxpk= 20, iat= 164, 166, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    52  TYR  HD     51  GLU  HG+       5.5   (#   657:20 Unique)
 &rst
  ixpk= 657, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 791, 800,
 igr2= 775, 776,
 &end
#
#    12  VAL  HB     12  VAL  HN         3.5   (#   658:20 Unique)
 &rst
  ixpk= 658, nxpk= 20, iat= 166, 162, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    12  VAL  HB     12  VAL  MGY        2.8   (#   659:20 Double)
 &rst
  ixpk= 659, nxpk= 20, iat= 166,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 168, 169, 170, 172, 173, 174,
 &end
#
#     0  AMB  20-2:660   0  AMB  20-1:660     2.8   (#   660:20 Double)
 &rst
  ixpk= 660, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1=1689,1690, 168, 169, 170, 172, 173, 174,  78,  79,
        80,  82,  83,  84,
 igr2= 166, 592, 593, 592, 593,
 &end
#
#    23  VAL  HA     23  VAL  HB        3.5   (#   661:20 Unique)
 &rst
  ixpk= 661, nxpk= 20, iat= 332, 334, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    24  LEU  HN     23  VAL  HB        4.5   (#   662:20 Unique)
 &rst
  ixpk= 662, nxpk= 20, iat= 346, 334, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     0  AMB  20-2:663  23  VAL  HB        2.8   (#   663:20 Single)
 &rst
  ixpk= 663, nxpk= 20, iat=  -1, 334, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 378, 379, 380, 336, 337, 338, 340, 341, 342, 336,
       337, 338, 340, 341, 342,
 &end
#
#    42  GLU  HN     41  LYS  HB+       4.5   (#   664:20 Unique)
 &rst
  ixpk= 664, nxpk= 20, iat= 610,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 592, 593,
 &end
#
#    41  LYS  HA     41  LYS  HB+       3.5   (#   665:20 Unique)
 &rst
  ixpk= 665, nxpk= 20, iat= 590,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 592, 593,
 &end
#
#    41  LYS  HA     41  LYS  HB-       3.5   (#   666:20 Unique)
 &rst
  ixpk= 666, nxpk= 20, iat= 590,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 592, 593,
 &end
#
#    42  GLU  HN     41  LYS  HB-       4.5   (#   667:20 Unique)
 &rst
  ixpk= 667, nxpk= 20, iat= 610,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 592, 593,
 &end
#
#    44  VAL  MGY    44  VAL  HB        2.8   (#   668:20 Unique)
 &rst
  ixpk= 668, nxpk= 20, iat=  -1, 648, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 650, 651, 652, 654, 655, 656,
 &end
#
#    44  VAL  HN     44  VAL  HB        3.5   (#   669:20 Unique)
 &rst
  ixpk= 669, nxpk= 20, iat= 644, 648, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  20-2:670  44  VAL  HB        2.8   (#   670:20 Single)
 &rst
  ixpk= 670, nxpk= 20, iat=  -1, 648, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 168, 169, 170, 172, 173, 174, 650, 651, 652, 654,
       655, 656,
 &end
#
#    12  VAL  HA     44  VAL  HB        3.5   (#   671:20 Unique)
 &rst
  ixpk= 671, nxpk= 20, iat= 164, 648, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  20-2:672  45  ARG  HB2       4.5   (#   672:20 Single)
 &rst
  ixpk= 672, nxpk= 20, iat=  -1, 664, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 336, 337, 338, 340, 341, 342, 849, 850, 851, 923,
       924, 925, 927, 928, 929,
 &end
#
#     0  AMB  20-2:673  45  ARG  HB3       4.5   (#   673:20 Single)
 &rst
  ixpk= 673, nxpk= 20, iat=  -1, 665, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 849, 850, 851, 923, 924, 925, 927, 928, 929,
 &end
#
#    89  HIS  HA     89  HIS  HB+       5.5   (#   674:20 Unique)
 &rst
  ixpk= 674, nxpk= 20, iat=1336,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1338,1339,
 &end
#
#    65  GLN  HN     65  GLN  HG-       3.5   (#   676:20 Unique)
 &rst
  ixpk= 676, nxpk= 20, iat= 980,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 987, 988,
 &end
#
#    65  GLN  HN     65  GLN  HG+       3.5   (#   677:20 Unique)
 &rst
  ixpk= 677, nxpk= 20, iat= 980,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 987, 988,
 &end
#
#    65  GLN  HE2+   65  GLN  HG+       4.5   (#   678:20 Unique)
 &rst
  ixpk= 678, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 992, 993,
 igr2= 987, 988,
 &end
#
#    65  GLN  HA     65  GLN  HG+       3.5   (#   679:20 Unique)
 &rst
  ixpk= 679, nxpk= 20, iat= 982,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 987, 988,
 &end
#
#    65  GLN  HE2-   65  GLN  HG+       5.5   (#   680:20 Unique)
 &rst
  ixpk= 680, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 992, 993,
 igr2= 987, 988,
 &end
#
#    65  GLN  HA     65  GLN  HG-       3.5   (#   681:20 Unique)
 &rst
  ixpk= 681, nxpk= 20, iat= 982,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 987, 988,
 &end
#
#    65  GLN  HE2+   65  GLN  HG-       4.5   (#   682:20 Unique)
 &rst
  ixpk= 682, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 992, 993,
 igr2= 987, 988,
 &end
#
#     0  AMB  20-2:684  27  VAL  HB        5.5   (#   684:20 Single)
 &rst
  ixpk= 684, nxpk= 20, iat=  -1, 412, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 386, 426,
 &end
#
#     6  LEU  MDY    27  VAL  HB        4.5   (#   685:20 Unique)
 &rst
  ixpk= 685, nxpk= 20, iat=  -1, 412, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  78,  79,  80,  82,  83,  84,
 &end
#
#    41  LYS  HN     27  VAL  HB        5.5   (#   686:20 Unique)
 &rst
  ixpk= 686, nxpk= 20, iat= 588, 412, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    27  VAL  HN     27  VAL  HB        3.5   (#   687:20 Unique)
 &rst
  ixpk= 687, nxpk= 20, iat= 408, 412, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    27  VAL  HA     27  VAL  HB        3.5   (#   688:20 Unique)
 &rst
  ixpk= 688, nxpk= 20, iat= 410, 412, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  20-2:689  27  VAL  HB        2.8   (#   689:20 Single)
 &rst
  ixpk= 689, nxpk= 20, iat=  -1, 412, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 414, 415, 416, 418, 419, 420, 595, 596,
 &end
#
#     0  AMB  20-2:690  27  VAL  HB        4.5   (#   690:20 Single)
 &rst
  ixpk= 690, nxpk= 20, iat=  -1, 412, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 424,1077,
 &end
#
#    67  GLN  HE2+   67  GLN  HG+       3.5   (#   691:20 Unique)
 &rst
  ixpk= 691, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1031,1032,
 igr2=1026,1027,
 &end
#
#     9  ILE  QD1    67  GLN  HG+       5.5   (#   692:20 Unique)
 &rst
  ixpk= 692, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 130, 131, 132,
 igr2=1026,1027,
 &end
#
#    67  GLN  HN     67  GLN  HG+       2.8   (#   693:20 Unique)
 &rst
  ixpk= 693, nxpk= 20, iat=1019,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1026,1027,
 &end
#
#    67  GLN  HA     67  GLN  HG+       3.5   (#   694:20 Unique)
 &rst
  ixpk= 694, nxpk= 20, iat=1021,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1026,1027,
 &end
#
#    64  MET  HA     67  GLN  HG+       3.5   (#   695:20 Unique)
 &rst
  ixpk= 695, nxpk= 20, iat= 965,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1026,1027,
 &end
#
#     9  ILE  HB     67  GLN  HG+       5.5   (#   696:20 Unique)
 &rst
  ixpk= 696, nxpk= 20, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1026,1027,
 &end
#
#     4  ALA  MB     67  GLN  HG+       4.5   (#   697:20 Unique)
 &rst
  ixpk= 697, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  51,  52,  53,
 igr2=1026,1027,
 &end
#
#     0  AMB  20-2:698  27  VAL  HB        4.5   (#   698:20 Single)
 &rst
  ixpk= 698, nxpk= 20, iat=  -1, 412, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 631, 632, 633, 123, 124, 125,
 &end
#
#     0  AMB  20-2:699   0  AMB  20-1:699     5.5   (#   699:20 Double)
 &rst
  ixpk= 699, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 968,1004,1005,
 igr2=1026,1027,1026,1027,
 &end
#
#    82  GLN  HN     82  GLN  HG+       4.5   (#   700:20 Unique)
 &rst
  ixpk= 700, nxpk= 20, iat=1214,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1221,1222,
 &end
#
#    68  GLY  HN     67  GLN  HG+       4.5   (#   701:20 Unique)
 &rst
  ixpk= 701, nxpk= 20, iat=1036,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1026,1027,
 &end
#
#    66  LYS  HN     67  GLN  HG+       5.5   (#   702:20 Unique)
 &rst
  ixpk= 702, nxpk= 20, iat= 997,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1026,1027,
 &end
#
#    67  GLN  HE2-   67  GLN  HG+       4.5   (#   703:20 Unique)
 &rst
  ixpk= 703, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1031,1032,
 igr2=1026,1027,
 &end
#
#    82  GLN  HA     82  GLN  HG+       3.5   (#   704:20 Unique)
 &rst
  ixpk= 704, nxpk= 20, iat=1216,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1221,1222,
 &end
#
#     8  LEU  HB-    67  GLN  HG+       5.5   (#   705:20 Unique)
 &rst
  ixpk= 705, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 102, 103,
 igr2=1026,1027,
 &end
#
#    82  GLN  HE2-   82  GLN  HG+       5.5   (#   706:20 Unique)
 &rst
  ixpk= 706, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1226,1227,
 igr2=1221,1222,
 &end
#
#   101  GLN  HE2+  101  GLN  HG+       4.5   (#   707:20 Unique)
 &rst
  ixpk= 707, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1518,1519,
 igr2=1513,1514,
 &end
#
#   101  GLN  HN    101  GLN  HG+       3.5   (#   708:20 Unique)
 &rst
  ixpk= 708, nxpk= 20, iat=1506,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1513,1514,
 &end
#
#    74  LEU  MDY    72  GLU  HB+       4.5   (#   709:20 Unique)
 &rst
  ixpk= 709, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1112,1113,1114,1116,1117,1118,
 igr2=1081,1082,
 &end
#
#     0  AMB  20-2:710   0  AMB  20-1:710     5.5   (#   710:20 Double)
 &rst
  ixpk= 710, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 384,1092,
 igr2=1081,1082,1081,1082,
 &end
#
#    72  GLU  HN     72  GLU  HB+       5.5   (#   711:20 Unique)
 &rst
  ixpk= 711, nxpk= 20, iat=1077,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1081,1082,
 &end
#
#    72  GLU  HA     72  GLU  HB+       3.5   (#   712:20 Unique)
 &rst
  ixpk= 712, nxpk= 20, iat=1079,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1081,1082,
 &end
#
#    72  GLU  HN     72  GLU  HB-       4.5   (#   713:20 Unique)
 &rst
  ixpk= 713, nxpk= 20, iat=1077,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1081,1082,
 &end
#
#    26  ARG  HN     72  GLU  HB-       5.5   (#   714:20 Unique)
 &rst
  ixpk= 714, nxpk= 20, iat= 384,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1081,1082,
 &end
#
#    72  GLU  HA     72  GLU  HB-       3.5   (#   715:20 Unique)
 &rst
  ixpk= 715, nxpk= 20, iat=1079,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1081,1082,
 &end
#
#    74  LEU  MDY    72  GLU  HB-       4.5   (#   716:20 Unique)
 &rst
  ixpk= 716, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1112,1113,1114,1116,1117,1118,
 igr2=1081,1082,
 &end
#
#     0  AMB  20-2:717  21  LYS  HB2       5.5   (#   717:20 Single)
 &rst
  ixpk= 717, nxpk= 20, iat=  -1, 291, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 289, 686, 687,
 &end
#
#    21  LYS  HN     21  LYS  HB2       5.5   (#   718:20 Unique)
 &rst
  ixpk= 718, nxpk= 20, iat= 287, 291, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    82  GLN  HE2+   82  GLN  HG+       4.5   (#   719:20 Unique)
 &rst
  ixpk= 719, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1226,1227,
 igr2=1221,1222,
 &end
#
#   101  GLN  HA    101  GLN  HG+       3.5   (#   720:20 Unique)
 &rst
  ixpk= 720, nxpk= 20, iat=1508,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1513,1514,
 &end
#
#     0  AMB  20-2:721   0  AMB  20-1:721     5.5   (#   721:20 Double)
 &rst
  ixpk= 721, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 355, 356, 357, 359, 360, 361,1544,1545,1546,
 igr2=1513,1514,1513,1514,
 &end
#
#     0  AMB  20-2:722   0  AMB  20-1:722     3.5   (#   722:20 Double)
 &rst
  ixpk= 722, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 355, 356, 357, 359, 360, 361,1563,1564,1565,1112,
      1113,1114,1116,1117,1118,
 igr2=1513,1514,1513,1514,1513,1514,
 &end
#
#   104  ILE  HG1-  101  GLN  HG-       4.5   (#   723:20 Unique)
 &rst
  ixpk= 723, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1560,1561,
 igr2=1513,1514,
 &end
#
#   101  GLN  HN    101  GLN  HG-       4.5   (#   724:20 Unique)
 &rst
  ixpk= 724, nxpk= 20, iat=1506,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1513,1514,
 &end
#
#   101  GLN  HE2+  101  GLN  HG-       4.5   (#   725:20 Unique)
 &rst
  ixpk= 725, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1518,1519,
 igr2=1513,1514,
 &end
#
#     0  AMB  20-2:726 101  GLN  HG-       3.5   (#   726:20 Single)
 &rst
  ixpk= 726, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 355, 356, 357, 359, 360, 361,1563,1564,1565,1112,
      1113,1114,1116,1117,1118,
 igr2=1513,1514,
 &end
#
#   101  GLN  HA    101  GLN  HG-       3.5   (#   727:20 Unique)
 &rst
  ixpk= 727, nxpk= 20, iat=1508,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1513,1514,
 &end
#
#     0  AMB  20-2:728 101  GLN  HG-       5.5   (#   728:20 Single)
 &rst
  ixpk= 728, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 355, 356, 357, 359, 360, 361,1544,1545,1546,
 igr2=1513,1514,
 &end
#
#    19  VAL  HN     19  VAL  HB        2.8   (#   730:20 Unique)
 &rst
  ixpk= 730, nxpk= 20, iat= 251, 255, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    19  VAL  HA     19  VAL  HB        4.5   (#   731:20 Unique)
 &rst
  ixpk= 731, nxpk= 20, iat= 253, 255, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    19  VAL  MGY    19  VAL  HB        2.8   (#   732:20 Unique)
 &rst
  ixpk= 732, nxpk= 20, iat=  -1, 255, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 257, 258, 259, 261, 262, 263,
 &end
#
#    19  VAL  MGX    19  VAL  HB        2.8   (#   733:20 Unique)
 &rst
  ixpk= 733, nxpk= 20, iat=  -1, 255, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 257, 258, 259, 261, 262, 263,
 &end
#
#    20  PHE  HN     19  VAL  HB        5.5   (#   735:20 Unique)
 &rst
  ixpk= 735, nxpk= 20, iat= 267, 255, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    64  MET  ME     64  MET  HG+       4.5   (#   736:20 Unique)
 &rst
  ixpk= 736, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 974, 975, 976,
 igr2= 970, 971,
 &end
#
#    64  MET  HA     64  MET  HG+       5.5   (#   737:20 Unique)
 &rst
  ixpk= 737, nxpk= 20, iat= 965,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 970, 971,
 &end
#
#    64  MET  HN     64  MET  HG-       4.5   (#   738:20 Unique)
 &rst
  ixpk= 738, nxpk= 20, iat= 963,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 970, 971,
 &end
#
#    64  MET  HA     64  MET  HG-       4.5   (#   739:20 Unique)
 &rst
  ixpk= 739, nxpk= 20, iat= 965,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 970, 971,
 &end
#
#    28  HIS  HN     28  HIS  HB2       5.5   (#   741:20 Unique)
 &rst
  ixpk= 741, nxpk= 20, iat= 424, 428, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    60  VAL  MGX    64  MET  HG+       3.5   (#   742:20 Unique)
 &rst
  ixpk= 742, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 923, 924, 925, 927, 928, 929,
 igr2= 970, 971,
 &end
#
#    64  MET  HN     64  MET  HG+       3.5   (#   743:20 Unique)
 &rst
  ixpk= 743, nxpk= 20, iat= 963,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 970, 971,
 &end
#
#    64  MET  HB3    64  MET  HG+       5.5   (#   744:20 Unique)
 &rst
  ixpk= 744, nxpk= 20, iat= 968,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 970, 971,
 &end
#
#    64  MET  HB3    64  MET  HG-       4.5   (#   745:20 Unique)
 &rst
  ixpk= 745, nxpk= 20, iat= 968,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 970, 971,
 &end
#
#    60  VAL  MGX    64  MET  HG-       3.5   (#   746:20 Unique)
 &rst
  ixpk= 746, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 923, 924, 925, 927, 928, 929,
 igr2= 970, 971,
 &end
#
#    60  VAL  HN      0  AMB  20-1:747     3.5   (#   747:20 Single)
 &rst
  ixpk= 747, nxpk= 20, iat= 917,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 899, 900, 899, 900,
 &end
#
#     4  ALA  HN      3  VAL  HB        4.5   (#   748:20 Unique)
 &rst
  ixpk= 748, nxpk= 20, iat=  47,  35, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     3  VAL  HN      3  VAL  HB        3.5   (#   749:20 Unique)
 &rst
  ixpk= 749, nxpk= 20, iat=  31,  35, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     1  MET  HB+     1  MET  HA         4.5   (#   750:20 Double)
 &rst
  ixpk= 750, nxpk= 20, iat=  -1,   6, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=   8,   9,
 &end
#
#     1  MET  HA      1  MET  HB-       4.5   (#   751:20 Unique)
 &rst
  ixpk= 751, nxpk= 20, iat=   6,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=   8,   9,
 &end
#
#   120  TRP  HB+    90  VAL  HB        4.5   (#   752:20 Unique)
 &rst
  ixpk= 752, nxpk= 20, iat=  -1,1355, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1821,1822,
 &end
#
#    28  HIS  HA     28  HIS  HB3       4.5   (#   753:20 Unique)
 &rst
  ixpk= 753, nxpk= 20, iat= 426, 429, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    59  LYS  HA     59  LYS  HB+       3.5   (#   754:20 Unique)
 &rst
  ixpk= 754, nxpk= 20, iat= 897,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 899, 900,
 &end
#
#    59  LYS  HG+    59  LYS  HB+       3.5   (#   755:20 Unique)
 &rst
  ixpk= 755, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 902, 903,
 igr2= 899, 900,
 &end
#
#     0  AMB  20-2:756   0  AMB  20-1:756     2.8   (#   756:20 Double)
 &rst
  ixpk= 756, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 895, 749,
 igr2= 899, 900, 899, 900, 899, 900,
 &end
#
#     3  VAL  HB      3  VAL  HA         3.5   (#   757:20 Unique)
 &rst
  ixpk= 757, nxpk= 20, iat=  35,  33, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  20-2:758   3  VAL  HB        2.8   (#   758:20 Single)
 &rst
  ixpk= 758, nxpk= 20, iat=  -1,  35, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=  37,  38,  39,  41,  42,  43,  37,  38,  39,  41,
        42,  43,
 &end
#
#   120  TRP  HA     90  VAL  HB        5.5   (#   759:20 Unique)
 &rst
  ixpk= 759, nxpk= 20, iat=1819,1355, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    90  VAL  MGY    90  VAL  HB        3.5   (#   760:20 Unique)
 &rst
  ixpk= 760, nxpk= 20, iat=  -1,1355, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1357,1358,1359,1361,1362,1363,
 &end
#
#    90  VAL  MGX    90  VAL  HB        3.5   (#   761:20 Unique)
 &rst
  ixpk= 761, nxpk= 20, iat=  -1,1355, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1357,1358,1359,1361,1362,1363,
 &end
#
#     0  AMB  20-2:762   0  AMB  20-1:762     4.5   (#   762:20 Double)
 &rst
  ixpk= 762, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1841, 441,
 igr2=1821,1822, 429,
 &end
#
#   106  THR  MG2   120  TRP  HB+       3.5   (#   763:20 Unique)
 &rst
  ixpk= 763, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1586,1587,1588,
 igr2=1821,1822,
 &end
#
#   120  TRP  HA    120  TRP  HB+       3.5   (#   764:20 Unique)
 &rst
  ixpk= 764, nxpk= 20, iat=1819,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1821,1822,
 &end
#
#    72  GLU  HN     71  CYS  HB2       4.5   (#   765:20 Unique)
 &rst
  ixpk= 765, nxpk= 20, iat=1077,1070, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     0  AMB  20-2:766  71  CYS  HB2       3.5   (#   766:20 Single)
 &rst
  ixpk= 766, nxpk= 20, iat=  -1,1070, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 371, 372, 373, 414, 415, 416, 418, 419, 420, 923,
       924, 925, 927, 928, 929,
 &end
#
#     0  AMB  20-2:767   0  AMB  20-1:767     3.5   (#   767:20 Double)
 &rst
  ixpk= 767, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1= 168, 169, 170, 172, 173, 174,1689,1690,
 igr2=1686,1687,1686,1687,
 &end
#
#   112  LYS  HN    112  LYS  HB+       3.5   (#   768:20 Unique)
 &rst
  ixpk= 768, nxpk= 20, iat=1682,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1686,1687,
 &end
#
#   112  LYS  HA    112  LYS  HB+       4.5   (#   769:20 Unique)
 &rst
  ixpk= 769, nxpk= 20, iat=1684,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1686,1687,
 &end
#
#   112  LYS  HA    112  LYS  HB-       3.5   (#   770:20 Unique)
 &rst
  ixpk= 770, nxpk= 20, iat=1684,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1686,1687,
 &end
#
#   112  LYS  HN    112  LYS  HB-       3.5   (#   771:20 Unique)
 &rst
  ixpk= 771, nxpk= 20, iat=1682,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1686,1687,
 &end
#
#     0  AMB  20-2:772 112  LYS  HB-       3.5   (#   772:20 Single)
 &rst
  ixpk= 772, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 168, 169, 170, 172, 173, 174,1689,1690,
 igr2=1686,1687,
 &end
#
#    71  CYS  HA     71  CYS  HB2       3.5   (#   773:20 Unique)
 &rst
  ixpk= 773, nxpk= 20, iat=1068,1070, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    72  GLU  HN     71  CYS  HB3       4.5   (#   774:20 Unique)
 &rst
  ixpk= 774, nxpk= 20, iat=1077,1071, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    71  CYS  HA     71  CYS  HB3       3.5   (#   775:20 Unique)
 &rst
  ixpk= 775, nxpk= 20, iat=1068,1071, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    25  ILE  QG2    71  CYS  HB3       3.5   (#   776:20 Unique)
 &rst
  ixpk= 776, nxpk= 20, iat=  -1,1071, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 371, 372, 373,
 &end
#
#    71  CYS  HN     71  CYS  HB3       4.5   (#   777:20 Unique)
 &rst
  ixpk= 777, nxpk= 20, iat=1066,1071, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   110  LYS  HN    110  LYS  HB-       3.5   (#   778:20 Unique)
 &rst
  ixpk= 778, nxpk= 20, iat=1650,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1654,1655,
 &end
#
#     0  AMB  20-2:779 110  LYS  HB-       3.5   (#   779:20 Single)
 &rst
  ixpk= 779, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1652,1596,
 igr2=1654,1655,
 &end
#
#    71  CYS  HN     71  CYS  HB2       3.5   (#   780:20 Unique)
 &rst
  ixpk= 780, nxpk= 20, iat=1066,1070, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    57  TYR  HE     71  CYS  HB3       4.5   (#   781:20 Unique)
 &rst
  ixpk= 781, nxpk= 20, iat=  -1,1071, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 872, 877,
 &end
#
#   111  ALA  HN    110  LYS  HB-       4.5   (#   782:20 Unique)
 &rst
  ixpk= 782, nxpk= 20, iat=1672,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1654,1655,
 &end
#
#     0  AMB  20-2:783   0  AMB  20-1:783     5.5   (#   783:20 Double)
 &rst
  ixpk= 783, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=1405,1410,1403,1412,
 igr2=1434,1435,1434,1435,
 &end
#
#   118  VAL  HN    118  VAL  HB        4.5   (#   784:20 Unique)
 &rst
  ixpk= 784, nxpk= 20, iat=1787,1791, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     0  AMB  20-2:785 118  VAL  HB        3.5   (#   785:20 Single)
 &rst
  ixpk= 785, nxpk= 20, iat=  -1,1791, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1793,1794,1795,1797,1798,1799,1793,1794,1795,1797,
      1798,1799,
 &end
#
#    95  MET  HA     95  MET  HG+       5.5   (#   786:20 Unique)
 &rst
  ixpk= 786, nxpk= 20, iat=1429,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1434,1435,
 &end
#
#     0  AMB  20-2:787  95  MET  HG-       5.5   (#   787:20 Single)
 &rst
  ixpk= 787, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1405,1410,1403,1412,
 igr2=1434,1435,
 &end
#
#    95  MET  HA     95  MET  HG-       5.5   (#   788:20 Unique)
 &rst
  ixpk= 788, nxpk= 20, iat=1429,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1434,1435,
 &end
#
#    67  GLN  HN     66  LYS  HB+       4.5   (#   789:20 Unique)
 &rst
  ixpk= 789, nxpk= 20, iat=1019,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1001,1002,
 &end
#
#    66  LYS  HN     66  LYS  HB+       2.8   (#   790:20 Unique)
 &rst
  ixpk= 790, nxpk= 20, iat= 997,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1001,1002,
 &end
#
#    66  LYS  HA     66  LYS  HB+       2.8   (#   791:20 Unique)
 &rst
  ixpk= 791, nxpk= 20, iat= 999,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1001,1002,
 &end
#
#    95  MET  HB+    95  MET  HG+       4.5   (#   792:20 Unique)
 &rst
  ixpk= 792, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1431,1432,
 igr2=1434,1435,
 &end
#
#    10  PRO  HA     10  PRO  HB-       2.8   (#   794:20 Unique)
 &rst
  ixpk= 794, nxpk= 20, iat= 146,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 143, 144,
 &end
#
#    63  ASP  HA     66  LYS  HB+       4.5   (#   795:20 Unique)
 &rst
  ixpk= 795, nxpk= 20, iat= 953,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1001,1002,
 &end
#
#    60  VAL  HB     60  VAL  HA         3.5   (#   796:20 Double)
 &rst
  ixpk= 796, nxpk= 20, iat= 921, 919, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    60  VAL  MGY    60  VAL  HB        2.8   (#   797:20 Unique)
 &rst
  ixpk= 797, nxpk= 20, iat=  -1, 921, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 923, 924, 925, 927, 928, 929,
 &end
#
#     0  AMB  20-2:798   0  AMB  20-1:798     2.8   (#   798:20 Double)
 &rst
  ixpk= 798, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 917,  47,
 igr2= 921, 480, 481,
 &end
#
#    60  VAL  MGX    60  VAL  HB        2.8   (#   799:20 Unique)
 &rst
  ixpk= 799, nxpk= 20, iat=  -1, 921, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 923, 924, 925, 927, 928, 929,
 &end
#
#    10  PRO  HA     10  PRO  HB+       3.5   (#   800:20 Unique)
 &rst
  ixpk= 800, nxpk= 20, iat= 146,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 143, 144,
 &end
#
#    10  PRO  HB+    12  VAL  HN         5.5   (#   802:20 Unique)
 &rst
  ixpk= 802, nxpk= 20, iat=  -1, 162, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 143, 144,
 &end
#
#    36  PRO  HB+    36  PRO  HA         2.8   (#   804:20 Double)
 &rst
  ixpk= 804, nxpk= 20, iat=  -1, 538, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 535, 536,
 &end
#
#    95  MET  HA     95  MET  HB-       3.5   (#   805:20 Unique)
 &rst
  ixpk= 805, nxpk= 20, iat=1429,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1431,1432,
 &end
#
#    74  LEU  MDX    26  ARG  HB3       3.5   (#   806:20 Unique)
 &rst
  ixpk= 806, nxpk= 20, iat=  -1, 389, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1112,1113,1114,1116,1117,1118,
 &end
#
#    36  PRO  HD-    36  PRO  HB+       3.5   (#   807:20 Unique)
 &rst
  ixpk= 807, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 529, 530,
 igr2= 535, 536,
 &end
#
#     0  AMB  20-2:808   0  AMB  20-1:808     3.5   (#   808:20 Double)
 &rst
  ixpk= 808, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 577, 562,
 igr2= 566, 567, 566, 567,
 &end
#
#     6  LEU  MDX    39  GLU  HB+       4.5   (#   809:20 Unique)
 &rst
  ixpk= 809, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=  78,  79,  80,  82,  83,  84,
 igr2= 566, 567,
 &end
#
#    39  GLU  HA     39  GLU  HB+       3.5   (#   810:20 Unique)
 &rst
  ixpk= 810, nxpk= 20, iat= 564,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 566, 567,
 &end
#
#     0  AMB  20-2:812   0  AMB  20-1:812     3.5   (#   812:20 Double)
 &rst
  ixpk= 812, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 478, 564,
 igr2= 480, 481, 566, 567,
 &end
#
#    39  GLU  HB-    40  SER  HN         3.5   (#   813:20 Single)
 &rst
  ixpk= 813, nxpk= 20, iat=  -1, 577, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 566, 567,
 &end
#
#    36  PRO  HB-    36  PRO  HA         2.8   (#   814:20 Double)
 &rst
  ixpk= 814, nxpk= 20, iat=  -1, 538, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 535, 536,
 &end
#
#    36  PRO  HB-    36  PRO  HD-        3.5   (#   815:20 Double)
 &rst
  ixpk= 815, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 535, 536,
 igr2= 529, 530,
 &end
#
#    81  HIS  HA     81  HIS  HB+       4.5   (#   816:20 Unique)
 &rst
  ixpk= 816, nxpk= 20, iat=1199,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1201,1202,
 &end
#
#    81  HIS  HA     81  HIS  HB-       4.5   (#   817:20 Unique)
 &rst
  ixpk= 817, nxpk= 20, iat=1199,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1201,1202,
 &end
#
#     6  LEU  MDX    39  GLU  HB-       3.5   (#   818:20 Unique)
 &rst
  ixpk= 818, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=  78,  79,  80,  82,  83,  84,
 igr2= 566, 567,
 &end
#
#     0  AMB  20-2:819   0  AMB  20-1:819     3.5   (#   819:20 Double)
 &rst
  ixpk= 819, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1112,1113,1114,1116,1117,1118, 650, 651, 652, 654,
       655, 656,
 igr2= 388,1613,
 &end
#
#   108  LYS  HA    108  LYS  HB3       3.5   (#   820:20 Unique)
 &rst
  ixpk= 820, nxpk= 20, iat=1611,1614, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  20-2:821 108  LYS  HB3       4.5   (#   821:20 Single)
 &rst
  ixpk= 821, nxpk= 20, iat=  -1,1614, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 168, 169, 170, 172, 173, 174, 650, 651, 652, 654,
       655, 656,
 &end
#
#   108  LYS  HN    108  LYS  HB2       4.5   (#   822:20 Unique)
 &rst
  ixpk= 822, nxpk= 20, iat=1609,1613, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   108  LYS  HN    108  LYS  HB3       4.5   (#   823:20 Unique)
 &rst
  ixpk= 823, nxpk= 20, iat=1609,1614, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   102  HIS  HA    102  HIS  HB3       4.5   (#   824:20 Unique)
 &rst
  ixpk= 824, nxpk= 20, iat=1525,1528, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    90  VAL  MGX   102  HIS  HB3       3.5   (#   825:20 Unique)
 &rst
  ixpk= 825, nxpk= 20, iat=  -1,1528, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1357,1358,1359,1361,1362,1363,
 &end
#
#    99  PRO  HA     99  PRO  HB-       4.5   (#   830:20 Unique)
 &rst
  ixpk= 830, nxpk= 20, iat=1492,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1489,1490,
 &end
#
#    97  TYR  HD     53  HIS  HB+       4.5   (#   833:20 Unique)
 &rst
  ixpk= 833, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1462,1471,
 igr2= 808, 809,
 &end
#
#     0  AMB  20-2:834  53  HIS  HB-       4.5   (#   834:20 Single)
 &rst
  ixpk= 834, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,
 igr1= 336, 337, 338, 340, 341, 342, 336, 337, 338, 340,
       341, 342, 292,
 igr2= 808, 809,
 &end
#
#    53  HIS  HA     53  HIS  HB+       4.5   (#   835:20 Unique)
 &rst
  ixpk= 835, nxpk= 20, iat= 806,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 808, 809,
 &end
#
#     0  AMB  20-2:836   0  AMB  20-1:836     3.5   (#   836:20 Double)
 &rst
  ixpk= 836, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
 igr1= 336, 337, 338, 340, 341, 342, 336, 337, 338, 340,
       341, 342, 292,
 igr2= 808, 809, 808, 809, 808, 809,
 &end
#
#   117  GLU  HA    117  GLU  HB+       3.5   (#   837:20 Unique)
 &rst
  ixpk= 837, nxpk= 20, iat=1774,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1776,1777,
 &end
#
#    87  LYS  HG-   117  GLU  HB-       5.5   (#   839:20 Unique)
 &rst
  ixpk= 839, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1300,1301,
 igr2=1776,1777,
 &end
#
#   109  ILE  HN    109  ILE  HG1+      4.5   (#   840:20 Unique)
 &rst
  ixpk= 840, nxpk= 20, iat=1631,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1641,1642,
 &end
#
#   109  ILE  QD1   109  ILE  HG1+      3.5   (#   842:20 Unique)
 &rst
  ixpk= 842, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1644,1645,1646,
 igr2=1641,1642,
 &end
#
#    50  ALA  HA     51  GLU  HB-       5.5   (#   843:20 Unique)
 &rst
  ixpk= 843, nxpk= 20, iat= 760,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 772, 773,
 &end
#
#    52  TYR  HN     51  GLU  HB-       4.5   (#   844:20 Unique)
 &rst
  ixpk= 844, nxpk= 20, iat= 783,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 772, 773,
 &end
#
#   109  ILE  HA    109  ILE  HG1-      5.5   (#   846:20 Unique)
 &rst
  ixpk= 846, nxpk= 20, iat=1633,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1641,1642,
 &end
#
#   118  VAL  HN    117  GLU  HB+       5.5   (#   847:20 Unique)
 &rst
  ixpk= 847, nxpk= 20, iat=1787,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1776,1777,
 &end
#
#    52  TYR  HD     51  GLU  HB+       5.5   (#   848:20 Unique)
 &rst
  ixpk= 848, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 791, 800,
 igr2= 772, 773,
 &end
#
#    52  TYR  HN     51  GLU  HB+       4.5   (#   849:20 Unique)
 &rst
  ixpk= 849, nxpk= 20, iat= 783,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 772, 773,
 &end
#
#    51  GLU  HA     51  GLU  HB+       2.8   (#   850:20 Unique)
 &rst
  ixpk= 850, nxpk= 20, iat= 770,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 772, 773,
 &end
#
#    51  GLU  HN     51  GLU  HB+       3.5   (#   851:20 Unique)
 &rst
  ixpk= 851, nxpk= 20, iat= 768,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 772, 773,
 &end
#
#   117  GLU  HA    117  GLU  HB-       3.5   (#   852:20 Unique)
 &rst
  ixpk= 852, nxpk= 20, iat=1774,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1776,1777,
 &end
#
#    52  TYR  HD     51  GLU  HB-       4.5   (#   853:20 Unique)
 &rst
  ixpk= 853, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 791, 800,
 igr2= 772, 773,
 &end
#
#    52  TYR  HE     51  GLU  HB-       5.5   (#   854:20 Unique)
 &rst
  ixpk= 854, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 793, 798,
 igr2= 772, 773,
 &end
#
#    51  GLU  HA     51  GLU  HB-       2.8   (#   855:20 Unique)
 &rst
  ixpk= 855, nxpk= 20, iat= 770,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 772, 773,
 &end
#
#    51  GLU  HN     51  GLU  HB-       3.5   (#   856:20 Unique)
 &rst
  ixpk= 856, nxpk= 20, iat= 768,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 772, 773,
 &end
#
#    69  CYS  HN     69  CYS  HB3       4.5   (#   857:20 Unique)
 &rst
  ixpk= 857, nxpk= 20, iat=1043,1048, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    27  VAL  MGY    69  CYS  HB3       3.5   (#   858:20 Unique)
 &rst
  ixpk= 858, nxpk= 20, iat=  -1,1048, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 414, 415, 416, 418, 419, 420,
 &end
#
#    69  CYS  HB3    64  MET  HB3        4.5   (#   859:20 Unique)
 &rst
  ixpk= 859, nxpk= 20, iat=1048, 968, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    69  CYS  HB2    64  MET  HA         5.5   (#   860:20 Unique)
 &rst
  ixpk= 860, nxpk= 20, iat=1047, 965, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    69  CYS  HB2    64  MET  HB3        3.5   (#   861:20 Unique)
 &rst
  ixpk= 861, nxpk= 20, iat=1047, 968, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    69  CYS  HB2    27  VAL  MGY        3.5   (#   862:20 Unique)
 &rst
  ixpk= 862, nxpk= 20, iat=1047,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 414, 415, 416, 418, 419, 420,
 &end
#
#     0  AMB  20-2:863  69  CYS  HB2       5.5   (#   863:20 Single)
 &rst
  ixpk= 863, nxpk= 20, iat=  -1,1047, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1054, 452,
 &end
#
#    69  CYS  HA     69  CYS  HB2       3.5   (#   864:20 Unique)
 &rst
  ixpk= 864, nxpk= 20, iat=1045,1047, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    69  CYS  HN     69  CYS  HB2       3.5   (#   865:20 Unique)
 &rst
  ixpk= 865, nxpk= 20, iat=1043,1047, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    87  LYS  HG-   117  GLU  HB+       4.5   (#   866:20 Unique)
 &rst
  ixpk= 866, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1300,1301,
 igr2=1776,1777,
 &end
#
#    69  CYS  HA     69  CYS  HB3       3.5   (#   867:20 Unique)
 &rst
  ixpk= 867, nxpk= 20, iat=1045,1048, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    70  ASP  HN     69  CYS  HB3       3.5   (#   868:20 Unique)
 &rst
  ixpk= 868, nxpk= 20, iat=1054,1048, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    42  GLU  HB+    24  LEU  MDX        4.5   (#   869:20 Double)
 &rst
  ixpk= 869, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 614, 615,
 igr2= 355, 356, 357, 359, 360, 361,
 &end
#
#    41  LYS  HE-    41  LYS  HD+       5.5   (#   870:20 Unique)
 &rst
  ixpk= 870, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 601, 602,
 igr2= 598, 599,
 &end
#
#     0  AMB  20-2:871   0  AMB  20-1:871     4.5   (#   871:20 Double)
 &rst
  ixpk= 871, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 631, 632, 633, 123, 124, 125,
 igr2= 598, 599, 598, 599,
 &end
#
#    41  LYS  HE+    41  LYS  HD-       4.5   (#   872:20 Unique)
 &rst
  ixpk= 872, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 601, 602,
 igr2= 598, 599,
 &end
#
#    42  GLU  HN     42  GLU  HB+       4.5   (#   874:20 Unique)
 &rst
  ixpk= 874, nxpk= 20, iat= 610,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 614, 615,
 &end
#
#    42  GLU  HA     42  GLU  HB+       4.5   (#   875:20 Unique)
 &rst
  ixpk= 875, nxpk= 20, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 614, 615,
 &end
#
#    41  LYS  HE+    41  LYS  HD+       4.5   (#   876:20 Unique)
 &rst
  ixpk= 876, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 601, 602,
 igr2= 598, 599,
 &end
#
#    41  LYS  HG-    41  LYS  HD+       4.5   (#   877:20 Unique)
 &rst
  ixpk= 877, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 595, 596,
 igr2= 598, 599,
 &end
#
#    43  ILE  HN     42  GLU  HB-       5.5   (#   878:20 Unique)
 &rst
  ixpk= 878, nxpk= 20, iat= 625,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 614, 615,
 &end
#
#    42  GLU  HN     42  GLU  HB-       4.5   (#   879:20 Unique)
 &rst
  ixpk= 879, nxpk= 20, iat= 610,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 614, 615,
 &end
#
#    42  GLU  HA     42  GLU  HB-       4.5   (#   880:20 Unique)
 &rst
  ixpk= 880, nxpk= 20, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 614, 615,
 &end
#
#     0  AMB  20-2:881  42  GLU  HB-       2.8   (#   881:20 Single)
 &rst
  ixpk= 881, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 355, 356, 357, 359, 360, 361, 355, 356, 357, 359,
       360, 361,
 igr2= 614, 615,
 &end
#
#    41  LYS  HE-    41  LYS  HD-       5.5   (#   882:20 Unique)
 &rst
  ixpk= 882, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 601, 602,
 igr2= 598, 599,
 &end
#
#    67  GLN  HN     67  GLN  HB3       4.5   (#   883:20 Unique)
 &rst
  ixpk= 883, nxpk= 20, iat=1019,1024, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    67  GLN  HA     67  GLN  HB3       2.8   (#   884:20 Unique)
 &rst
  ixpk= 884, nxpk= 20, iat=1021,1024, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    67  GLN  HN     67  GLN  HB2       3.5   (#   885:20 Unique)
 &rst
  ixpk= 885, nxpk= 20, iat=1019,1023, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    67  GLN  HB2    64  MET  HA         4.5   (#   886:20 Unique)
 &rst
  ixpk= 886, nxpk= 20, iat=1023, 965, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    67  GLN  HA     67  GLN  HB2       3.5   (#   887:20 Unique)
 &rst
  ixpk= 887, nxpk= 20, iat=1021,1023, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    67  GLN  HB3    64  MET  HA         5.5   (#   888:20 Unique)
 &rst
  ixpk= 888, nxpk= 20, iat=1024, 965, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  20-2:889   0  AMB  20-1:889     3.5   (#   889:20 Double)
 &rst
  ixpk= 889, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1306,1307,1338,1339,
 igr2=1303,1304,1303,1304,
 &end
#
#     0  AMB  20-2:890  87  LYS  HD-       3.5   (#   890:20 Single)
 &rst
  ixpk= 890, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1306,1307,1338,1339,
 igr2=1303,1304,
 &end
#
#   110  LYS  HE+   110  LYS  HD-       3.5   (#   891:20 Unique)
 &rst
  ixpk= 891, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1663,1664,
 igr2=1660,1661,
 &end
#
#   107  GLU  HN    107  GLU  HB+       2.8   (#   892:20 Unique)
 &rst
  ixpk= 892, nxpk= 20, iat=1594,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1598,1599,
 &end
#
#   107  GLU  HA    107  GLU  HB+       2.8   (#   893:20 Unique)
 &rst
  ixpk= 893, nxpk= 20, iat=1596,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1598,1599,
 &end
#
#   104  ILE  HA    107  GLU  HB+       3.5   (#   894:20 Unique)
 &rst
  ixpk= 894, nxpk= 20, iat=1552,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1598,1599,
 &end
#
#    66  LYS  HD+    63  ASP  HA         4.5   (#   895:20 Unique)
 &rst
  ixpk= 895, nxpk= 20, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1007,1008,
 &end
#
#    66  LYS  HE+    66  LYS  HD+       2.8   (#   896:20 Unique)
 &rst
  ixpk= 896, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1010,1011,
 igr2=1007,1008,
 &end
#
#   104  ILE  QG2   107  GLU  HB+       4.5   (#   897:20 Unique)
 &rst
  ixpk= 897, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1556,1557,1558,
 igr2=1598,1599,
 &end
#
#    66  LYS  HN     66  LYS  HD+       4.5   (#   898:20 Unique)
 &rst
  ixpk= 898, nxpk= 20, iat= 997,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1007,1008,
 &end
#
#    66  LYS  HD+    66  LYS  HA         4.5   (#   899:20 Unique)
 &rst
  ixpk= 899, nxpk= 20, iat=  -1, 999, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1007,1008,
 &end
#
#     0  AMB  20-2:900   0  AMB  20-1:900     3.5   (#   900:20 Double)
 &rst
  ixpk= 900, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 908, 909, 300, 301,1695,1696,
 igr2= 905, 906, 297, 298,1692,1693,
 &end
#
#    56  ILE  HA      0  AMB  20-1:901     3.5   (#   901:20 Single)
 &rst
  ixpk= 901, nxpk= 20, iat= 845,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 853, 854, 905, 906,
 &end
#
#     0  AMB  20-2:902   0  AMB  20-1:902     4.5   (#   902:20 Double)
 &rst
  ixpk= 902, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 300, 301,1695,1696,
 igr2= 297, 298,1692,1693,
 &end
#
#     0  AMB  20-2:903   0  AMB  20-1:903     2.8   (#   903:20 Double)
 &rst
  ixpk= 903, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1= 762, 763, 764, 856, 857, 858, 168, 169, 170, 172,
       173, 174, 292,
 igr2= 853, 854,1692,1693, 297, 298,
 &end
#
#    56  ILE  HN     56  ILE  HG1-      3.5   (#   905:20 Unique)
 &rst
  ixpk= 905, nxpk= 20, iat= 843,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 853, 854,
 &end
#
#    56  ILE  HN     56  ILE  HG1+      5.5   (#   906:20 Unique)
 &rst
  ixpk= 906, nxpk= 20, iat= 843,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 853, 854,
 &end
#
#    49  TRP  HD1    49  TRP  HB+       4.5   (#   907:20 Unique)
 &rst
  ixpk= 907, nxpk= 20, iat= 742,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 738, 739,
 &end
#
#    49  TRP  HA     49  TRP  HB+       2.8   (#   908:20 Unique)
 &rst
  ixpk= 908, nxpk= 20, iat= 736,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 738, 739,
 &end
#
#     0  AMB  20-2:909   0  AMB  20-1:909     3.5   (#   909:20 Double)
 &rst
  ixpk= 909, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 897,1684,
 igr2= 905, 906,1692,1693,
 &end
#
#     0  AMB  20-2:910   0  AMB  20-1:910     3.5   (#   910:20 Double)
 &rst
  ixpk= 910, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 749, 895,
 igr2= 853, 854, 905, 906, 905, 906, 905, 906,
 &end
#
#     0  AMB  20-2:911 112  LYS  HD-       4.5   (#   911:20 Single)
 &rst
  ixpk= 911, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1684,1611,
 igr2=1692,1693,
 &end
#
#     0  AMB  20-2:912 112  LYS  HD-       3.5   (#   912:20 Single)
 &rst
  ixpk= 912, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 168, 169, 170, 172, 173, 174,1689,1690,
 igr2=1692,1693,
 &end
#
#    49  TRP  HA     49  TRP  HB-       2.8   (#   914:20 Unique)
 &rst
  ixpk= 914, nxpk= 20, iat= 736,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 738, 739,
 &end
#
#     0  AMB  20-2:915   0  AMB  20-1:915     5.5   (#   915:20 Double)
 &rst
  ixpk= 915, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 300, 301,1695,1696,
 igr2= 297, 298,1692,1693,
 &end
#
#     0  AMB  20-2:916   0  AMB  20-1:916     3.5   (#   916:20 Double)
 &rst
  ixpk= 916, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1= 168, 169, 170, 172, 173, 174,1689,1690,
 igr2=1692,1693,1692,1693,
 &end
#
#     0  AMB  20-2:917   0  AMB  20-1:917     3.5   (#   917:20 Double)
 &rst
  ixpk= 917, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 300, 301,1695,1696,
 igr2= 297, 298,1692,1693,
 &end
#
#   108  LYS  HA    108  LYS  HD-       4.5   (#   922:20 Unique)
 &rst
  ixpk= 922, nxpk= 20, iat=1611,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1619,1620,
 &end
#
#   108  LYS  HE+   108  LYS  HD+       4.5   (#   923:20 Unique)
 &rst
  ixpk= 923, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1622,1623,
 igr2=1619,1620,
 &end
#
#   108  LYS  HA    108  LYS  HD+       4.5   (#   924:20 Unique)
 &rst
  ixpk= 924, nxpk= 20, iat=1611,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1619,1620,
 &end
#
#   108  LYS  HE-   108  LYS  HD+       3.5   (#   925:20 Unique)
 &rst
  ixpk= 925, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1622,1623,
 igr2=1619,1620,
 &end
#
#    79  ILE  QD1    79  ILE  HG1-      4.5   (#   926:20 Unique)
 &rst
  ixpk= 926, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1180,1181,1182,
 igr2=1177,1178,
 &end
#
#   108  LYS  HE+   108  LYS  HD-       4.5   (#   927:20 Unique)
 &rst
  ixpk= 927, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1622,1623,
 igr2=1619,1620,
 &end
#
#    65  GLN  HN     65  GLN  HB3       3.5   (#   928:20 Unique)
 &rst
  ixpk= 928, nxpk= 20, iat= 980, 985, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    66  LYS  HN     65  GLN  HB3       4.5   (#   929:20 Unique)
 &rst
  ixpk= 929, nxpk= 20, iat= 997, 985, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    65  GLN  HA     65  GLN  HB3       2.8   (#   930:20 Unique)
 &rst
  ixpk= 930, nxpk= 20, iat= 982, 985, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    62  GLY  HA-    65  GLN  HB3       5.5   (#   931:20 Unique)
 &rst
  ixpk= 931, nxpk= 20, iat=  -1, 985, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 946, 947,
 &end
#
#    66  LYS  HN     65  GLN  HB2       4.5   (#   932:20 Unique)
 &rst
  ixpk= 932, nxpk= 20, iat= 997, 984, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    62  GLY  HA-    65  GLN  HB2       4.5   (#   933:20 Unique)
 &rst
  ixpk= 933, nxpk= 20, iat=  -1, 984, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 946, 947,
 &end
#
#    65  GLN  HN     65  GLN  HB2       2.8   (#   934:20 Unique)
 &rst
  ixpk= 934, nxpk= 20, iat= 980, 984, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    65  GLN  HA     65  GLN  HB2       3.5   (#   935:20 Unique)
 &rst
  ixpk= 935, nxpk= 20, iat= 982, 984, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  20-2:936  25  ILE  HG1-      2.8   (#   936:20 Single)
 &rst
  ixpk= 936, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 336, 337, 338, 340, 341, 342, 336, 337, 338, 340,
       341, 342, 378, 379, 380,
 igr2= 375, 376,
 &end
#
#    57  TYR  HD     25  ILE  HG1-      7.0   (#   937:20 Unique)
 &rst
  ixpk= 937, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 870, 879,
 igr2= 375, 376,
 &end
#
#   104  ILE  HN    104  ILE  HG1-      3.5   (#   940:20 Unique)
 &rst
  ixpk= 940, nxpk= 20, iat=1550,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1560,1561,
 &end
#
#     0  AMB  20-2:941 104  ILE  HG1-      2.8   (#   941:20 Single)
 &rst
  ixpk= 941, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1563,1564,1565,1556,1557,1558,
 igr2=1560,1561,
 &end
#
#   104  ILE  HA    104  ILE  HG1+      3.5   (#   942:20 Unique)
 &rst
  ixpk= 942, nxpk= 20, iat=1552,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1560,1561,
 &end
#
#     0  AMB  20-2:943   0  AMB  20-1:943     4.5   (#   943:20 Double)
 &rst
  ixpk= 943, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1554,1510,1511,
 igr2=1560,1561,1560,1561,
 &end
#
#    31  PRO  HG+    35  ALA  MB         5.5   (#   944:20 Unique)
 &rst
  ixpk= 944, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 466, 467,
 igr2= 522, 523, 524,
 &end
#
#    82  GLN  HN     82  GLN  HB+       3.5   (#   945:20 Unique)
 &rst
  ixpk= 945, nxpk= 20, iat=1214,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1218,1219,
 &end
#
#   104  ILE  HA    104  ILE  HG1-      3.5   (#   946:20 Unique)
 &rst
  ixpk= 946, nxpk= 20, iat=1552,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1560,1561,
 &end
#
#    78  ARG  HD+    78  ARG  HG-       5.5   (#   947:20 Unique)
 &rst
  ixpk= 947, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1153,1154,
 igr2=1150,1151,
 &end
#
#   104  ILE  HN    104  ILE  HG1+      4.5   (#   948:20 Unique)
 &rst
  ixpk= 948, nxpk= 20, iat=1550,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1560,1561,
 &end
#
#    57  TYR  HD     25  ILE  HG1+      4.5   (#   949:20 Unique)
 &rst
  ixpk= 949, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 870, 879,
 igr2= 375, 376,
 &end
#
#    31  PRO  HG+    31  PRO  HD+        3.5   (#   950:20 Unique)
 &rst
  ixpk= 950, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 466, 467,
 igr2= 463, 464,
 &end
#
#    82  GLN  HB+    82  GLN  HA         2.8   (#   952:20 Double)
 &rst
  ixpk= 952, nxpk= 20, iat=  -1,1216, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1218,1219,
 &end
#
#     0  AMB  20-2:953   0  AMB  20-1:953     4.5   (#   953:20 Double)
 &rst
  ixpk= 953, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 394, 395, 394, 395,
 igr2= 391, 392, 391, 392,
 &end
#
#     0  AMB  20-2:955  26  ARG  HG-       4.5   (#   955:20 Single)
 &rst
  ixpk= 955, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 394, 395, 394, 395,
 igr2= 391, 392,
 &end
#
#    31  PRO  HD-    31  PRO  HG+       2.8   (#   956:20 Unique)
 &rst
  ixpk= 956, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 463, 464,
 igr2= 466, 467,
 &end
#
#    31  PRO  HG+    31  PRO  HA         4.5   (#   957:20 Double)
 &rst
  ixpk= 957, nxpk= 20, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 466, 467,
 &end
#
#    10  PRO  HG+     9  ILE  HA         4.5   (#   958:20 Double)
 &rst
  ixpk= 958, nxpk= 20, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 140, 141,
 &end
#
#    10  PRO  HG+     9  ILE  HA         5.5   (#   959:20 Unique)
 &rst
  ixpk= 959, nxpk= 20, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 140, 141,
 &end
#
#    31  PRO  HG-    31  PRO  HA         4.5   (#   960:20 Unique)
 &rst
  ixpk= 960, nxpk= 20, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 466, 467,
 &end
#
#    31  PRO  HD+    31  PRO  HG-       3.5   (#   961:20 Unique)
 &rst
  ixpk= 961, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 463, 464,
 igr2= 466, 467,
 &end
#
#    26  ARG  HA     26  ARG  HG-       5.5   (#   962:20 Unique)
 &rst
  ixpk= 962, nxpk= 20, iat= 386,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 391, 392,
 &end
#
#    36  PRO  HG+    36  PRO  HA         4.5   (#   963:20 Unique)
 &rst
  ixpk= 963, nxpk= 20, iat=  -1, 538, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 532, 533,
 &end
#
#    35  ALA  HA     36  PRO  HG+       4.5   (#   964:20 Unique)
 &rst
  ixpk= 964, nxpk= 20, iat= 520,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 532, 533,
 &end
#
#    37  ALA  HN     36  PRO  HG+       5.5   (#   967:20 Unique)
 &rst
  ixpk= 967, nxpk= 20, iat= 542,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 532, 533,
 &end
#
#    36  PRO  HD-    36  PRO  HG+       2.8   (#   968:20 Unique)
 &rst
  ixpk= 968, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 529, 530,
 igr2= 532, 533,
 &end
#
#    36  PRO  HG+    37  ALA  MB         4.5   (#   969:20 Double)
 &rst
  ixpk= 969, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 532, 533,
 igr2= 546, 547, 548,
 &end
#
#     6  LEU  HA      9  ILE  HG1-      4.5   (#   970:20 Unique)
 &rst
  ixpk= 970, nxpk= 20, iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 127, 128,
 &end
#
#     9  ILE  HG1+    9  ILE  HB         4.5   (#   971:20 Unique)
 &rst
  ixpk= 971, nxpk= 20, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 127, 128,
 &end
#
#     6  LEU  HG     29  SER  HB-        5.5   (#   972:20 Unique)
 &rst
  ixpk= 972, nxpk= 20, iat=  76,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 445, 446,
 &end
#
#     6  LEU  HG      6  LEU  HN         3.5   (#   973:20 Unique)
 &rst
  ixpk= 973, nxpk= 20, iat=  76,  69, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     6  LEU  MDY     6  LEU  HG        2.8   (#   974:20 Unique)
 &rst
  ixpk= 974, nxpk= 20, iat=  -1,  76, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=  78,  79,  80,  82,  83,  84,
 &end
#
#     8  LEU  HN      8  LEU  HG        3.5   (#   975:20 Unique)
 &rst
  ixpk= 975, nxpk= 20, iat=  98, 105, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     8  LEU  HA      8  LEU  HG        3.5   (#   976:20 Unique)
 &rst
  ixpk= 976, nxpk= 20, iat= 100, 105, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     5  ASP  HB+     8  LEU  HG        5.5   (#   977:20 Unique)
 &rst
  ixpk= 977, nxpk= 20, iat=  -1, 105, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  61,  62,
 &end
#
#     8  LEU  HG      8  LEU  MDY        2.8   (#   978:20 Unique)
 &rst
  ixpk= 978, nxpk= 20, iat= 105,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#     9  ILE  HN      9  ILE  HG1-      3.5   (#   980:20 Unique)
 &rst
  ixpk= 980, nxpk= 20, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 127, 128,
 &end
#
#     9  ILE  HA      9  ILE  HG1-      4.5   (#   981:20 Unique)
 &rst
  ixpk= 981, nxpk= 20, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 127, 128,
 &end
#
#     9  ILE  HG1-    9  ILE  QD1        2.8   (#   982:20 Unique)
 &rst
  ixpk= 982, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 127, 128,
 igr2= 130, 131, 132,
 &end
#
#     9  ILE  HN      9  ILE  HG1+      4.5   (#   983:20 Unique)
 &rst
  ixpk= 983, nxpk= 20, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 127, 128,
 &end
#
#     9  ILE  HA      9  ILE  HG1+      4.5   (#   984:20 Unique)
 &rst
  ixpk= 984, nxpk= 20, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 127, 128,
 &end
#
#    99  PRO  HD+    99  PRO  HG+       4.5   (#   985:20 Unique)
 &rst
  ixpk= 985, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1483,1484,
 igr2=1486,1487,
 &end
#
#    99  PRO  HD-    99  PRO  HG+       4.5   (#   986:20 Unique)
 &rst
  ixpk= 986, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1483,1484,
 igr2=1486,1487,
 &end
#
#    99  PRO  HD+    99  PRO  HG-       4.5   (#   987:20 Unique)
 &rst
  ixpk= 987, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1483,1484,
 igr2=1486,1487,
 &end
#
#    99  PRO  HD-    99  PRO  HG-       4.5   (#   988:20 Unique)
 &rst
  ixpk= 988, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1483,1484,
 igr2=1486,1487,
 &end
#
#     6  LEU  HG     29  SER  HA         5.5   (#   989:20 Unique)
 &rst
  ixpk= 989, nxpk= 20, iat=  76, 443, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     8  LEU  MDX     8  LEU  HG        2.8   (#   990:20 Unique)
 &rst
  ixpk= 990, nxpk= 20, iat=  -1, 105, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 107, 108, 109, 111, 112, 113,
 &end
#
#    73  CYS  HA     73  CYS  HB-       4.5   (#   995:20 Unique)
 &rst
  ixpk= 995, nxpk= 20, iat=1094,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1096,1097,
 &end
#
#    73  CYS  HN     73  CYS  HB-       5.5   (#   996:20 Unique)
 &rst
  ixpk= 996, nxpk= 20, iat=1092,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1096,1097,
 &end
#
#    73  CYS  HN     73  CYS  HB+       5.5   (#   997:20 Unique)
 &rst
  ixpk= 997, nxpk= 20, iat=1092,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1096,1097,
 &end
#
#    26  ARG  HN     74  LEU  HG        5.5   (#   999:20 Unique)
 &rst
  ixpk= 999, nxpk= 20, iat= 384,1110, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    74  LEU  HA     74  LEU  HG        5.5   (#  1000:20 Unique)
 &rst
  ixpk= 1000, nxpk= 20, iat=1105,1110, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    74  LEU  MDY    74  LEU  HG        3.5   (#  1001:20 Unique)
 &rst
  ixpk= 1001, nxpk= 20, iat=  -1,1110, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1112,1113,1114,1116,1117,1118,
 &end
#
#    57  TYR  HD     73  CYS  HB-       5.5   (#  1002:20 Unique)
 &rst
  ixpk= 1002, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 870, 879,
 igr2=1096,1097,
 &end
#
#    74  LEU  HN     74  LEU  HG        4.5   (#  1003:20 Unique)
 &rst
  ixpk= 1003, nxpk= 20, iat=1103,1110, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   102  HIS  HN    101  GLN  HB+       5.5   (#  1004:20 Unique)
 &rst
  ixpk= 1004, nxpk= 20, iat=1523,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1510,1511,
 &end
#
#   104  ILE  HG1+  101  GLN  HB+       4.5   (#  1005:20 Unique)
 &rst
  ixpk= 1005, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1560,1561,
 igr2=1510,1511,
 &end
#
#    43  ILE  HB     43  ILE  HG1-      5.5   (#  1006:20 Unique)
 &rst
  ixpk= 1006, nxpk= 20, iat= 629,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 635, 636,
 &end
#
#   101  GLN  HN    101  GLN  HB+       3.5   (#  1007:20 Unique)
 &rst
  ixpk= 1007, nxpk= 20, iat=1506,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1510,1511,
 &end
#
#   101  GLN  HA    101  GLN  HB+       3.5   (#  1008:20 Unique)
 &rst
  ixpk= 1008, nxpk= 20, iat=1508,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1510,1511,
 &end
#
#     0  AMB  20-2:1009   0  AMB  20-1:1009     2.8   (#  1009:20 Double)
 &rst
  ixpk= 1009, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1563,1564,1565, 355, 356, 357, 359, 360, 361,
 igr2=1510,1511,1510,1511,
 &end
#
#     0  AMB  20-2:1010   0  AMB  20-1:1010     5.5   (#  1010:20 Double)
 &rst
  ixpk= 1010, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1518,1519,1550,
 igr2=1510,1511,1510,1511,
 &end
#
#   101  GLN  HN    101  GLN  HB-       2.8   (#  1011:20 Unique)
 &rst
  ixpk= 1011, nxpk= 20, iat=1506,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1510,1511,
 &end
#
#   104  ILE  HG1+  101  GLN  HB-       7.0   (#  1012:20 Unique)
 &rst
  ixpk= 1012, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1560,1561,
 igr2=1510,1511,
 &end
#
#     0  AMB  20-2:1013 101  GLN  HB-       2.8   (#  1013:20 Single)
 &rst
  ixpk= 1013, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=1563,1564,1565, 355, 356, 357, 359, 360, 361,
 igr2=1510,1511,
 &end
#
#   101  GLN  HA    101  GLN  HB-       3.5   (#  1014:20 Unique)
 &rst
  ixpk= 1014, nxpk= 20, iat=1508,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1510,1511,
 &end
#
#    25  ILE  QD1    45  ARG  HG+       4.5   (#  1015:20 Unique)
 &rst
  ixpk= 1015, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 378, 379, 380,
 igr2= 667, 668,
 &end
#
#     0  AMB  20-2:1016   0  AMB  20-1:1016     4.5   (#  1016:20 Double)
 &rst
  ixpk= 1016, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 923, 924, 925, 927, 928, 929, 849, 850, 851,
 igr2= 667, 668, 667, 668,
 &end
#
#    43  ILE  QD1    43  ILE  HG1-      3.5   (#  1017:20 Unique)
 &rst
  ixpk= 1017, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 638, 639, 640,
 igr2= 635, 636,
 &end
#
#    43  ILE  QD1    43  ILE  HG1+      4.5   (#  1018:20 Unique)
 &rst
  ixpk= 1018, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 638, 639, 640,
 igr2= 635, 636,
 &end
#
#   100  ALA  HA    101  GLN  HB-       5.5   (#  1019:20 Unique)
 &rst
  ixpk= 1019, nxpk= 20, iat=1498,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1510,1511,
 &end
#
#   105  SER  HN     24  LEU  MDX       7.0   (#  1020:20 Unique)
 &rst
  ixpk= 1020, nxpk= 20, iat=1569,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2= 355, 356, 357, 359, 360, 361,
 &end
#
#   101  GLN  HN     24  LEU  MDX       4.5   (#  1021:20 Unique)
 &rst
  ixpk= 1021, nxpk= 20, iat=1506,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 355, 356, 357, 359, 360, 361,
 &end
#
#    24  LEU  HA     24  LEU  MDX       5.5   (#  1022:20 Unique)
 &rst
  ixpk= 1022, nxpk= 20, iat= 348,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 355, 356, 357, 359, 360, 361,
 &end
#
#     0  AMB  20-2:1023  24  LEU  MDX       5.5   (#  1023:20 Single)
 &rst
  ixpk= 1023, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=1525,1508,1124,1125,
 igr2= 355, 356, 357, 359, 360, 361,
 &end
#
#    74  LEU  HN      0  AMB  20-1:1024     4.5   (#  1024:20 Single)
 &rst
  ixpk= 1024, nxpk= 20, iat=1103,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr2=1112,1113,1114,1116,1117,1118, 355, 356, 357, 359,
       360, 361,
 &end
#
#    74  LEU  HA     74  LEU  MDX       4.5   (#  1025:20 Unique)
 &rst
  ixpk= 1025, nxpk= 20, iat=1105,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1112,1113,1114,1116,1117,1118,
 &end
#
#     0  AMB  20-2:1026   0  AMB  20-1:1026     2.8   (#  1026:20 Double)
 &rst
  ixpk= 1026, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 614, 615, 388,1554,1510,1511, 617, 618,
 igr2= 355, 356, 357, 359, 360, 361,1112,1113,1114,1116,
      1117,1118,
 &end
#
#     0  AMB  20-2:1027  74  LEU  MDX       2.8   (#  1027:20 Single)
 &rst
  ixpk= 1027, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1108, 389,
 igr2=1112,1113,1114,1116,1117,1118,
 &end
#
#     0  AMB  20-2:1028   0  AMB  20-1:1028     2.8   (#  1028:20 Double)
 &rst
  ixpk= 1028, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1110, 350, 351,
 igr2=1112,1113,1114,1116,1117,1118, 355, 356, 357, 359,
       360, 361,
 &end
#
#    26  ARG  HN      0  AMB  20-1:1029     4.5   (#  1029:20 Single)
 &rst
  ixpk= 1029, nxpk= 20, iat= 384,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr2=1112,1113,1114,1116,1117,1118, 355, 356, 357, 359,
       360, 361,
 &end
#
#     0  AMB  20-2:1030   0  AMB  20-1:1030     3.5   (#  1030:20 Double)
 &rst
  ixpk= 1030, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 617, 618, 617, 618,
 igr2=1112,1113,1114,1116,1117,1118, 355, 356, 357, 359,
       360, 361,
 &end
#
#     0  AMB  20-2:1031   0  AMB  20-1:1031     5.5   (#  1031:20 Double)
 &rst
  ixpk= 1031, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
 igr1=1084,1085,1513,1514,
 igr2=1112,1113,1114,1116,1117,1118, 355, 356, 357, 359,
       360, 361,
 &end
#
#    66  LYS  HA     66  LYS  HG+       3.5   (#  1032:20 Unique)
 &rst
  ixpk= 1032, nxpk= 20, iat= 999,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1004,1005,
 &end
#
#   110  LYS  HN    110  LYS  HG+       5.5   (#  1033:20 Unique)
 &rst
  ixpk= 1033, nxpk= 20, iat=1650,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1657,1658,
 &end
#
#    66  LYS  HE+    66  LYS  HG+       3.5   (#  1034:20 Unique)
 &rst
  ixpk= 1034, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1010,1011,
 igr2=1004,1005,
 &end
#
#   110  LYS  HE+   110  LYS  HG-       3.5   (#  1035:20 Unique)
 &rst
  ixpk= 1035, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1663,1664,
 igr2=1657,1658,
 &end
#
#   110  LYS  HA    110  LYS  HG-       4.5   (#  1036:20 Unique)
 &rst
  ixpk= 1036, nxpk= 20, iat=1652,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1657,1658,
 &end
#
#     0  AMB  20-2:1037 110  LYS  HG-       3.5   (#  1037:20 Single)
 &rst
  ixpk= 1037, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1793,1794,1795,1797,1798,1799,1793,1794,1795,1797,
      1798,1799,
 igr2=1657,1658,
 &end
#
#   110  LYS  HN    110  LYS  HG-       4.5   (#  1038:20 Unique)
 &rst
  ixpk= 1038, nxpk= 20, iat=1650,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1657,1658,
 &end
#
#    66  LYS  HN     66  LYS  HG-       4.5   (#  1039:20 Unique)
 &rst
  ixpk= 1039, nxpk= 20, iat= 997,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1004,1005,
 &end
#
#     0  AMB  20-2:1040   0  AMB  20-1:1040     3.5   (#  1040:20 Double)
 &rst
  ixpk= 1040, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1663,1664,1010,1011,
 igr2=1657,1658,1004,1005,
 &end
#
#   110  LYS  HE+   110  LYS  HG+       4.5   (#  1041:20 Unique)
 &rst
  ixpk= 1041, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1663,1664,
 igr2=1657,1658,
 &end
#
#     0  AMB  20-2:1042   0  AMB  20-1:1042     4.5   (#  1042:20 Double)
 &rst
  ixpk= 1042, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1=1793,1794,1795,1797,1798,1799,1793,1794,1795,1797,
      1798,1799,
 igr2=1657,1658,1657,1658,
 &end
#
#     5  ASP  HB-     8  LEU  MDX       3.5   (#  1043:20 Unique)
 &rst
  ixpk= 1043, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=  61,  62,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#     5  ASP  HN      8  LEU  MDX       5.5   (#  1044:20 Unique)
 &rst
  ixpk= 1044, nxpk= 20, iat=  57,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#    40  SER  HA      6  LEU  MDX       3.5   (#  1045:20 Unique)
 &rst
  ixpk= 1045, nxpk= 20, iat= 579,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#    28  HIS  HA      6  LEU  MDX       5.5   (#  1046:20 Unique)
 &rst
  ixpk= 1046, nxpk= 20, iat= 426,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#    39  GLU  HB+     6  LEU  MDX       3.5   (#  1047:20 Unique)
 &rst
  ixpk= 1047, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 566, 567,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#     6  LEU  HB3     6  LEU  MDX       2.8   (#  1048:20 Unique)
 &rst
  ixpk= 1048, nxpk= 20, iat=  74,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#     0  AMB  20-2:1049   6  LEU  MDX       3.5   (#  1049:20 Single)
 &rst
  ixpk= 1049, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 441,  69,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#     6  LEU  MDX    40  SER  HN         4.5   (#  1050:20 Single)
 &rst
  ixpk= 1050, nxpk= 20, iat=  -1, 577, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  78,  79,  80,  82,  83,  84,
 &end
#
#     0  AMB  20-2:1051   6  LEU  MDX       4.5   (#  1051:20 Single)
 &rst
  ixpk= 1051, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 443, 564,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#     6  LEU  HA      6  LEU  MDX       4.5   (#  1052:20 Unique)
 &rst
  ixpk= 1052, nxpk= 20, iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#     0  AMB  20-2:1053   6  LEU  MDX       4.5   (#  1053:20 Single)
 &rst
  ixpk= 1053, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 569, 570, 569, 570,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#     0  AMB  20-2:1054   6  LEU  MDX       3.5   (#  1054:20 Single)
 &rst
  ixpk= 1054, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 592, 593, 566, 567,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#     6  LEU  HG      6  LEU  MDX       2.8   (#  1055:20 Unique)
 &rst
  ixpk= 1055, nxpk= 20, iat=  76,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#    66  LYS  HN     66  LYS  HG+       3.5   (#  1056:20 Unique)
 &rst
  ixpk= 1056, nxpk= 20, iat= 997,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1004,1005,
 &end
#
#    63  ASP  HA     66  LYS  HG+       5.5   (#  1057:20 Unique)
 &rst
  ixpk= 1057, nxpk= 20, iat= 953,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1004,1005,
 &end
#
#    66  LYS  HA     66  LYS  HG-       3.5   (#  1058:20 Unique)
 &rst
  ixpk= 1058, nxpk= 20, iat= 999,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1004,1005,
 &end
#
#     8  LEU  HN      8  LEU  MDX       4.5   (#  1059:20 Unique)
 &rst
  ixpk= 1059, nxpk= 20, iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#     8  LEU  HA      8  LEU  MDX       3.5   (#  1060:20 Unique)
 &rst
  ixpk= 1060, nxpk= 20, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#     5  ASP  HB+     8  LEU  MDX       3.5   (#  1061:20 Unique)
 &rst
  ixpk= 1061, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=  61,  62,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#     8  LEU  HB+     8  LEU  MDX       2.8   (#  1062:20 Unique)
 &rst
  ixpk= 1062, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 102, 103,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#     8  LEU  HG      8  LEU  MDX       2.8   (#  1063:20 Unique)
 &rst
  ixpk= 1063, nxpk= 20, iat= 105,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#     6  LEU  MDX    29  SER  HB-        4.5   (#  1064:20 Unique)
 &rst
  ixpk= 1064, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=  78,  79,  80,  82,  83,  84,
 igr2= 445, 446,
 &end
#
#     6  LEU  MDX     6  LEU  HB2        2.8   (#  1065:20 Single)
 &rst
  ixpk= 1065, nxpk= 20, iat=  -1,  73, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=  78,  79,  80,  82,  83,  84,
 &end
#
#    41  LYS  HN      6  LEU  MDX       4.5   (#  1066:20 Unique)
 &rst
  ixpk= 1066, nxpk= 20, iat= 588,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#     6  LEU  MDX    29  SER  HB+        4.5   (#  1067:20 Unique)
 &rst
  ixpk= 1067, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=  78,  79,  80,  82,  83,  84,
 igr2= 445, 446,
 &end
#
#     6  LEU  MDX    41  LYS  HE+        4.5   (#  1068:20 Unique)
 &rst
  ixpk= 1068, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=  78,  79,  80,  82,  83,  84,
 igr2= 601, 602,
 &end
#
#   112  LYS  HE-   112  LYS  HG+       3.5   (#  1069:20 Unique)
 &rst
  ixpk= 1069, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1695,1696,
 igr2=1689,1690,
 &end
#
#   112  LYS  HE+   112  LYS  HG+       3.5   (#  1070:20 Unique)
 &rst
  ixpk= 1070, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1695,1696,
 igr2=1689,1690,
 &end
#
#     0  AMB  20-2:1071   0  AMB  20-1:1071     2.8   (#  1071:20 Double)
 &rst
  ixpk= 1071, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1686,1687,1692,1693,
 igr2=1689,1690,1689,1690,
 &end
#
#   112  LYS  HD-   112  LYS  HG+       4.5   (#  1072:20 Unique)
 &rst
  ixpk= 1072, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1692,1693,
 igr2=1689,1690,
 &end
#
#    87  LYS  HE+    87  LYS  HG-       4.5   (#  1073:20 Unique)
 &rst
  ixpk= 1073, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1306,1307,
 igr2=1300,1301,
 &end
#
#    12  VAL  HB    112  LYS  HG+       4.5   (#  1074:20 Unique)
 &rst
  ixpk= 1074, nxpk= 20, iat= 166,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1689,1690,
 &end
#
#     0  AMB  20-2:1075   0  AMB  20-1:1075     3.5   (#  1075:20 Double)
 &rst
  ixpk= 1075, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1622,1623,1306,1307,
 igr2=1616,1617,1300,1301,
 &end
#
#     0  AMB  20-2:1077  14  ILE  HG1-      5.5   (#  1077:20 Single)
 &rst
  ixpk= 1077, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 168, 169, 170, 172, 173, 174, 196, 197, 198,
 igr2= 200, 201,
 &end
#
#   108  LYS  HA    108  LYS  HG-       4.5   (#  1078:20 Unique)
 &rst
  ixpk= 1078, nxpk= 20, iat=1611,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1616,1617,
 &end
#
#   108  LYS  HN    108  LYS  HG-       3.5   (#  1079:20 Unique)
 &rst
  ixpk= 1079, nxpk= 20, iat=1609,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1616,1617,
 &end
#
#    59  LYS  HA     59  LYS  HG+       3.5   (#  1080:20 Unique)
 &rst
  ixpk= 1080, nxpk= 20, iat= 897,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 902, 903,
 &end
#
#    59  LYS  HE+    59  LYS  HG+       3.5   (#  1081:20 Unique)
 &rst
  ixpk= 1081, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 908, 909,
 igr2= 902, 903,
 &end
#
#     0  AMB  20-2:1082   0  AMB  20-1:1082     2.8   (#  1082:20 Double)
 &rst
  ixpk= 1082, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 899, 900, 899, 900,
 igr2= 902, 903, 902, 903,
 &end
#
#     0  AMB  20-2:1083   0  AMB  20-1:1083     3.5   (#  1083:20 Double)
 &rst
  ixpk= 1083, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 895, 749,
 igr2= 902, 903, 902, 903,
 &end
#
#   108  LYS  HN    108  LYS  HG+       3.5   (#  1084:20 Unique)
 &rst
  ixpk= 1084, nxpk= 20, iat=1609,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1616,1617,
 &end
#
#    14  ILE  QD1    14  ILE  HG1-      4.5   (#  1087:20 Unique)
 &rst
  ixpk= 1087, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 203, 204, 205,
 igr2= 200, 201,
 &end
#
#    49  TRP  HZ2    59  LYS  HG+       4.5   (#  1088:20 Unique)
 &rst
  ixpk= 1088, nxpk= 20, iat= 747,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 902, 903,
 &end
#
#    14  ILE  HN     14  ILE  HG1-      4.5   (#  1089:20 Unique)
 &rst
  ixpk= 1089, nxpk= 20, iat= 190,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 200, 201,
 &end
#
#    40  SER  HA      6  LEU  MDY       5.5   (#  1090:20 Unique)
 &rst
  ixpk= 1090, nxpk= 20, iat= 579,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#    41  LYS  HE+     6  LEU  MDY       5.5   (#  1091:20 Unique)
 &rst
  ixpk= 1091, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 601, 602,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#     0  AMB  20-2:1092  23  VAL  MGY       3.5   (#  1092:20 Single)
 &rst
  ixpk= 1092, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 346, 862,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
#    23  VAL  MGY    75  GLY  HN         3.5   (#  1093:20 Unique)
 &rst
  ixpk= 1093, nxpk= 20, iat=  -1,1122, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 336, 337, 338, 340, 341, 342,
 &end
#
#    97  TYR  HD     23  VAL  MGY       4.5   (#  1094:20 Unique)
 &rst
  ixpk= 1094, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1462,1471,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
#    23  VAL  HA     23  VAL  MGY       3.5   (#  1095:20 Unique)
 &rst
  ixpk= 1095, nxpk= 20, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
#    76  GLY  HA+    23  VAL  MGY       4.5   (#  1096:20 Unique)
 &rst
  ixpk= 1096, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1131,1132,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
#     0  AMB  20-2:1097  23  VAL  MGY       4.5   (#  1097:20 Single)
 &rst
  ixpk= 1097, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 806, 864,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
#    76  GLY  HA-    23  VAL  MGY       3.5   (#  1098:20 Unique)
 &rst
  ixpk= 1098, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1131,1132,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
#    53  HIS  HB+    23  VAL  MGY       3.5   (#  1099:20 Unique)
 &rst
  ixpk= 1099, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 808, 809,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
#     0  AMB  20-2:1100  23  VAL  MGY       2.8   (#  1100:20 Single)
 &rst
  ixpk= 1100, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 847, 334,1096,1097,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
#     6  LEU  MDY    29  SER  HA         4.5   (#  1101:20 Single)
 &rst
  ixpk= 1101, nxpk= 20, iat=  -1, 443, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  78,  79,  80,  82,  83,  84,
 &end
#
#     6  LEU  MDY    29  SER  HB+        4.5   (#  1102:20 Unique)
 &rst
  ixpk= 1102, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=  78,  79,  80,  82,  83,  84,
 igr2= 445, 446,
 &end
#
#     6  LEU  HA      6  LEU  MDY       2.8   (#  1103:20 Unique)
 &rst
  ixpk= 1103, nxpk= 20, iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#     6  LEU  MDY    29  SER  HB-        4.5   (#  1104:20 Unique)
 &rst
  ixpk= 1104, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=  78,  79,  80,  82,  83,  84,
 igr2= 445, 446,
 &end
#
#     6  LEU  MDY     6  LEU  HB2        3.5   (#  1105:20 Single)
 &rst
  ixpk= 1105, nxpk= 20, iat=  -1,  73, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  78,  79,  80,  82,  83,  84,
 &end
#
#     6  LEU  HG      6  LEU  MDY       2.8   (#  1106:20 Unique)
 &rst
  ixpk= 1106, nxpk= 20, iat=  76,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#    41  LYS  HD-     6  LEU  MDY       5.5   (#  1107:20 Unique)
 &rst
  ixpk= 1107, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 598, 599,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#     6  LEU  HB3     6  LEU  MDY       3.5   (#  1108:20 Unique)
 &rst
  ixpk= 1108, nxpk= 20, iat=  74,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#    23  VAL  HN     23  VAL  MGY       4.5   (#  1109:20 Unique)
 &rst
  ixpk= 1109, nxpk= 20, iat= 330,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
#    97  TYR  HE     23  VAL  MGY       4.5   (#  1110:20 Unique)
 &rst
  ixpk= 1110, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1464,1469,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
#    57  TYR  HB2    23  VAL  MGY       4.5   (#  1111:20 Unique)
 &rst
  ixpk= 1111, nxpk= 20, iat= 866,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
#     0  AMB  20-2:1113   6  LEU  MDY       3.5   (#  1113:20 Single)
 &rst
  ixpk= 1113, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 441,  69,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#     0  AMB  20-2:1114   6  LEU  MDY       5.5   (#  1114:20 Single)
 &rst
  ixpk= 1114, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 592, 593, 566, 567,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#    28  HIS  HA      6  LEU  MDY       5.5   (#  1115:20 Unique)
 &rst
  ixpk= 1115, nxpk= 20, iat= 426,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#    41  LYS  HN     41  LYS  HG+       5.5   (#  1116:20 Unique)
 &rst
  ixpk= 1116, nxpk= 20, iat= 588,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 595, 596,
 &end
#
#    41  LYS  HB-    41  LYS  HG+       4.5   (#  1117:20 Unique)
 &rst
  ixpk= 1117, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 592, 593,
 igr2= 595, 596,
 &end
#
#     0  AMB  20-2:1118  12  VAL  MGY       2.8   (#  1118:20 Single)
 &rst
  ixpk= 1118, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1692,1693, 200, 201,
 igr2= 168, 169, 170, 172, 173, 174,
 &end
#
#     0  AMB  20-2:1119  12  VAL  MGY       3.5   (#  1119:20 Single)
 &rst
  ixpk= 1119, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 162,1631,
 igr2= 168, 169, 170, 172, 173, 174,
 &end
#
#    12  VAL  HA     12  VAL  MGY       3.5   (#  1120:20 Unique)
 &rst
  ixpk= 1120, nxpk= 20, iat= 164,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 168, 169, 170, 172, 173, 174,
 &end
#
#     0  AMB  20-2:1121   0  AMB  20-1:1121     2.8   (#  1121:20 Double)
 &rst
  ixpk= 1121, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1=1641,1642, 166, 592, 593, 592, 593,
 igr2= 168, 169, 170, 172, 173, 174, 595, 596,
 &end
#
#     0  AMB  20-2:1122 121  ALA  MB        4.5   (#  1122:20 Single)
 &rst
  ixpk= 1122, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1855,1856,1338,1339,
 igr2=1845,1846,1847,
 &end
#
#   109  ILE  HA     12  VAL  MGY       5.5   (#  1123:20 Unique)
 &rst
  ixpk= 1123, nxpk= 20, iat=1633,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 168, 169, 170, 172, 173, 174,
 &end
#
#   122  ASN  HN    121  ALA  MB        3.5   (#  1124:20 Unique)
 &rst
  ixpk= 1124, nxpk= 20, iat=1851,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1845,1846,1847,
 &end
#
#   121  ALA  HN    121  ALA  MB        3.5   (#  1125:20 Unique)
 &rst
  ixpk= 1125, nxpk= 20, iat=1841,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1845,1846,1847,
 &end
#
#     0  AMB  20-2:1126 121  ALA  MB        5.5   (#  1126:20 Single)
 &rst
  ixpk= 1126, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1817,1388,
 igr2=1845,1846,1847,
 &end
#
#   123  ASP  HN    121  ALA  MB        3.5   (#  1127:20 Unique)
 &rst
  ixpk= 1127, nxpk= 20, iat=1865,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1845,1846,1847,
 &end
#
#    89  HIS  HE1   121  ALA  MB        2.8   (#  1128:20 Unique)
 &rst
  ixpk= 1128, nxpk= 20, iat=1344,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1845,1846,1847,
 &end
#
#   121  ALA  MB     91  TYR  HD         7.0   (#  1129:20 Unique)
 &rst
  ixpk= 1129, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1845,1846,1847,
 igr2=1375,1384,
 &end
#
#     0  AMB  20-2:1130 121  ALA  MB        5.5   (#  1130:20 Single)
 &rst
  ixpk= 1130, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1369,1853,
 igr2=1845,1846,1847,
 &end
#
#   121  ALA  HA    121  ALA  MB        2.8   (#  1131:20 Unique)
 &rst
  ixpk= 1131, nxpk= 20, iat=1843,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1845,1846,1847,
 &end
#
#   123  ASP  HB+   121  ALA  MB        3.5   (#  1132:20 Unique)
 &rst
  ixpk= 1132, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1869,1870,
 igr2=1845,1846,1847,
 &end
#
#   120  TRP  HA    121  ALA  MB        5.5   (#  1133:20 Unique)
 &rst
  ixpk= 1133, nxpk= 20, iat=1819,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1845,1846,1847,
 &end
#
#   102  HIS  HD2    24  LEU  MDY       5.5   (#  1134:20 Unique)
 &rst
  ixpk= 1134, nxpk= 20, iat=1536,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 355, 356, 357, 359, 360, 361,
 &end
#
#    42  GLU  HA     24  LEU  MDY       5.5   (#  1135:20 Unique)
 &rst
  ixpk= 1135, nxpk= 20, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 355, 356, 357, 359, 360, 361,
 &end
#
#     0  AMB  20-2:1136  12  VAL  MGX       3.5   (#  1136:20 Single)
 &rst
  ixpk= 1136, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 162,1631,
 igr2= 168, 169, 170, 172, 173, 174,
 &end
#
#   108  LYS  HN     12  VAL  MGX       7.0   (#  1137:20 Unique)
 &rst
  ixpk= 1137, nxpk= 20, iat=1609,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2= 168, 169, 170, 172, 173, 174,
 &end
#
#    12  VAL  HA     12  VAL  MGX       2.8   (#  1138:20 Unique)
 &rst
  ixpk= 1138, nxpk= 20, iat= 164,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 168, 169, 170, 172, 173, 174,
 &end
#
#     0  AMB  20-2:1139  12  VAL  MGX       4.5   (#  1139:20 Single)
 &rst
  ixpk= 1139, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1611,1684,
 igr2= 168, 169, 170, 172, 173, 174,
 &end
#
#   109  ILE  HA     12  VAL  MGX       2.8   (#  1140:20 Unique)
 &rst
  ixpk= 1140, nxpk= 20, iat=1633,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 168, 169, 170, 172, 173, 174,
 &end
#
#     0  AMB  20-2:1141  12  VAL  MGX       3.5   (#  1141:20 Single)
 &rst
  ixpk= 1141, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 154, 155,1622,1623,
 igr2= 168, 169, 170, 172, 173, 174,
 &end
#
#    11  ASP  HB-    12  VAL  MGX       4.5   (#  1142:20 Unique)
 &rst
  ixpk= 1142, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 154, 155,
 igr2= 168, 169, 170, 172, 173, 174,
 &end
#
#     0  AMB  20-2:1143  12  VAL  MGX       2.8   (#  1143:20 Single)
 &rst
  ixpk= 1143, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=1641,1642, 166,
 igr2= 168, 169, 170, 172, 173, 174,
 &end
#
#     0  AMB  20-2:1144  12  VAL  MGX       2.8   (#  1144:20 Single)
 &rst
  ixpk= 1144, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=1614,1686,1687,1692,1693,
 igr2= 168, 169, 170, 172, 173, 174,
 &end
#
#   112  LYS  HD-    12  VAL  MGX       4.5   (#  1145:20 Unique)
 &rst
  ixpk= 1145, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1692,1693,
 igr2= 168, 169, 170, 172, 173, 174,
 &end
#
#    13  ASP  HN     12  VAL  MGX       5.5   (#  1146:20 Unique)
 &rst
  ixpk= 1146, nxpk= 20, iat= 178,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 168, 169, 170, 172, 173, 174,
 &end
#
#    25  ILE  HN     24  LEU  MDY       3.5   (#  1147:20 Unique)
 &rst
  ixpk= 1147, nxpk= 20, iat= 365,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 355, 356, 357, 359, 360, 361,
 &end
#
#    24  LEU  HA     24  LEU  MDY       2.8   (#  1148:20 Unique)
 &rst
  ixpk= 1148, nxpk= 20, iat= 348,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 355, 356, 357, 359, 360, 361,
 &end
#
#     0  AMB  20-2:1149  24  LEU  MDY       4.5   (#  1149:20 Single)
 &rst
  ixpk= 1149, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 646, 367,
 igr2= 355, 356, 357, 359, 360, 361,
 &end
#
#   105  SER  HA     24  LEU  MDY       4.5   (#  1150:20 Unique)
 &rst
  ixpk= 1150, nxpk= 20, iat=1571,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 355, 356, 357, 359, 360, 361,
 &end
#
#    42  GLU  HG+    24  LEU  MDY       4.5   (#  1151:20 Unique)
 &rst
  ixpk= 1151, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 617, 618,
 igr2= 355, 356, 357, 359, 360, 361,
 &end
#
#     0  AMB  20-2:1152  24  LEU  MDY       2.8   (#  1152:20 Single)
 &rst
  ixpk= 1152, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 614, 615,1554,1510,1511, 617, 618,
 igr2= 355, 356, 357, 359, 360, 361,
 &end
#
#     0  AMB  20-2:1153  24  LEU  MDY       2.8   (#  1153:20 Single)
 &rst
  ixpk= 1153, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 614, 615, 350, 351,
 igr2= 355, 356, 357, 359, 360, 361,
 &end
#
#    43  ILE  HN     24  LEU  MDY       5.5   (#  1154:20 Unique)
 &rst
  ixpk= 1154, nxpk= 20, iat= 625,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 355, 356, 357, 359, 360, 361,
 &end
#
#    12  VAL  MGX    44  VAL  HN         4.5   (#  1155:20 Single)
 &rst
  ixpk= 1155, nxpk= 20, iat=  -1, 644, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 168, 169, 170, 172, 173, 174,
 &end
#
#     0  AMB  20-2:1156  90  VAL  MGX       3.5   (#  1156:20 Single)
 &rst
  ixpk= 1156, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1573,1525,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#    90  VAL  HB     90  VAL  MGX       3.5   (#  1157:20 Unique)
 &rst
  ixpk= 1157, nxpk= 20, iat=1355,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#    90  VAL  HN     90  VAL  MGX       4.5   (#  1158:20 Unique)
 &rst
  ixpk= 1158, nxpk= 20, iat=1351,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#     0  AMB  20-2:1159  90  VAL  MGX       4.5   (#  1159:20 Single)
 &rst
  ixpk= 1159, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1582,1574,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#    91  TYR  HN     90  VAL  MGX       3.5   (#  1160:20 Unique)
 &rst
  ixpk= 1160, nxpk= 20, iat=1367,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#   102  HIS  HD2    90  VAL  MGX       3.5   (#  1161:20 Unique)
 &rst
  ixpk= 1161, nxpk= 20, iat=1536,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#    90  VAL  HA     90  VAL  MGX       3.5   (#  1162:20 Unique)
 &rst
  ixpk= 1162, nxpk= 20, iat=1353,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#   102  HIS  HB3    90  VAL  MGX       4.5   (#  1163:20 Unique)
 &rst
  ixpk= 1163, nxpk= 20, iat=1528,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#     0  AMB  20-2:1164  90  VAL  MGX       5.5   (#  1164:20 Single)
 &rst
  ixpk= 1164, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1527,1371,1372,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#     0  AMB  20-2:1165  90  VAL  MGX       5.5   (#  1165:20 Single)
 &rst
  ixpk= 1165, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=1821,1822, 313, 314,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#    61  SER  HN     60  VAL  MGY       4.5   (#  1166:20 Unique)
 &rst
  ixpk= 1166, nxpk= 20, iat= 933,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 923, 924, 925, 927, 928, 929,
 &end
#
#    60  VAL  HN     60  VAL  MGY       2.8   (#  1167:20 Unique)
 &rst
  ixpk= 1167, nxpk= 20, iat= 917,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 923, 924, 925, 927, 928, 929,
 &end
#
#     0  AMB  20-2:1168  60  VAL  MGY       5.5   (#  1168:20 Single)
 &rst
  ixpk= 1168, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 749, 895,
 igr2= 923, 924, 925, 927, 928, 929,
 &end
#
#    47  TYR  HE     60  VAL  MGY       4.5   (#  1169:20 Unique)
 &rst
  ixpk= 1169, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 701, 706,
 igr2= 923, 924, 925, 927, 928, 929,
 &end
#
#     0  AMB  20-2:1170  60  VAL  MGY       5.5   (#  1170:20 Single)
 &rst
  ixpk= 1170, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 935, 897,
 igr2= 923, 924, 925, 927, 928, 929,
 &end
#
#     0  AMB  20-2:1171  60  VAL  MGY       2.8   (#  1171:20 Single)
 &rst
  ixpk= 1171, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 670, 671, 919,
 igr2= 923, 924, 925, 927, 928, 929,
 &end
#
#    60  VAL  HB     60  VAL  MGY       2.8   (#  1172:20 Unique)
 &rst
  ixpk= 1172, nxpk= 20, iat= 921,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 923, 924, 925, 927, 928, 929,
 &end
#
#   106  THR  HN    106  THR  MG2       3.5   (#  1173:20 Unique)
 &rst
  ixpk= 1173, nxpk= 20, iat=1580,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1586,1587,1588,
 &end
#
#   106  THR  MG2   107  GLU  HN         4.5   (#  1174:20 Single)
 &rst
  ixpk= 1174, nxpk= 20, iat=  -1,1594, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1586,1587,1588,
 &end
#
#   120  TRP  HD1   106  THR  MG2       2.8   (#  1175:20 Unique)
 &rst
  ixpk= 1175, nxpk= 20, iat=1825,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1586,1587,1588,
 &end
#
#   120  TRP  HA    106  THR  MG2       5.5   (#  1176:20 Unique)
 &rst
  ixpk= 1176, nxpk= 20, iat=1819,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1586,1587,1588,
 &end
#
#   106  THR  HB    106  THR  MG2       2.8   (#  1177:20 Unique)
 &rst
  ixpk= 1177, nxpk= 20, iat=1584,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1586,1587,1588,
 &end
#
#   106  THR  HA    106  THR  MG2       2.8   (#  1178:20 Unique)
 &rst
  ixpk= 1178, nxpk= 20, iat=1582,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1586,1587,1588,
 &end
#
#   120  TRP  HB+   106  THR  MG2       2.8   (#  1179:20 Unique)
 &rst
  ixpk= 1179, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1821,1822,
 igr2=1586,1587,1588,
 &end
#
#   118  VAL  HB    106  THR  MG2       4.5   (#  1180:20 Unique)
 &rst
  ixpk= 1180, nxpk= 20, iat=1791,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1586,1587,1588,
 &end
#
#   106  THR  MG2    90  VAL  HB         3.5   (#  1181:20 Unique)
 &rst
  ixpk= 1181, nxpk= 20, iat=  -1,1355, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1586,1587,1588,
 &end
#
#    90  VAL  MGY   106  THR  MG2       3.5   (#  1182:20 Unique)
 &rst
  ixpk= 1182, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1357,1358,1359,1361,1362,1363,
 igr2=1586,1587,1588,
 &end
#
#     8  LEU  HN      8  LEU  MDY       3.5   (#  1183:20 Unique)
 &rst
  ixpk= 1183, nxpk= 20, iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#     8  LEU  HA      8  LEU  MDY       2.8   (#  1184:20 Unique)
 &rst
  ixpk= 1184, nxpk= 20, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#     8  LEU  HG      8  LEU  MDY       2.8   (#  1185:20 Unique)
 &rst
  ixpk= 1185, nxpk= 20, iat= 105,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#    43  ILE  QD1    60  VAL  MGY       5.5   (#  1186:20 Unique)
 &rst
  ixpk= 1186, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 638, 639, 640,
 igr2= 923, 924, 925, 927, 928, 929,
 &end
#
#     5  ASP  HB+     8  LEU  MDY       5.5   (#  1187:20 Unique)
 &rst
  ixpk= 1187, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  61,  62,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#   118  VAL  HA    118  VAL  MGY       3.5   (#  1188:20 Unique)
 &rst
  ixpk= 1188, nxpk= 20, iat=1789,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1793,1794,1795,1797,1798,1799,
 &end
#
#   106  THR  HB    118  VAL  MGY       4.5   (#  1189:20 Unique)
 &rst
  ixpk= 1189, nxpk= 20, iat=1584,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1793,1794,1795,1797,1798,1799,
 &end
#
#   106  THR  HA    118  VAL  MGY       3.5   (#  1190:20 Unique)
 &rst
  ixpk= 1190, nxpk= 20, iat=1582,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1793,1794,1795,1797,1798,1799,
 &end
#
#   118  VAL  HB    118  VAL  MGY       2.8   (#  1191:20 Unique)
 &rst
  ixpk= 1191, nxpk= 20, iat=1791,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1793,1794,1795,1797,1798,1799,
 &end
#
#   110  LYS  HG+   118  VAL  MGY       3.5   (#  1192:20 Unique)
 &rst
  ixpk= 1192, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1657,1658,
 igr2=1793,1794,1795,1797,1798,1799,
 &end
#
#     0  AMB  20-2:1193 118  VAL  MGY       5.5   (#  1193:20 Single)
 &rst
  ixpk= 1193, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1631,1351,
 igr2=1793,1794,1795,1797,1798,1799,
 &end
#
#     0  AMB  20-2:1195   0  AMB  20-1:1195     2.8   (#  1195:20 Double)
 &rst
  ixpk= 1195, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr1=1635,1660,1661,1657,1658, 369,
 igr2=1793,1794,1795,1797,1798,1799, 414, 415, 416, 418,
       419, 420,
 &end
#
#    41  LYS  HN     27  VAL  MGY       4.5   (#  1196:20 Unique)
 &rst
  ixpk= 1196, nxpk= 20, iat= 588,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 414, 415, 416, 418, 419, 420,
 &end
#
#    27  VAL  MGY    70  ASP  HN         5.5   (#  1197:20 Unique)
 &rst
  ixpk= 1197, nxpk= 20, iat=  -1,1054, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 414, 415, 416, 418, 419, 420,
 &end
#
#    27  VAL  MGY    69  CYS  HB3        3.5   (#  1198:20 Unique)
 &rst
  ixpk= 1198, nxpk= 20, iat=  -1,1048, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 414, 415, 416, 418, 419, 420,
 &end
#
#     0  AMB  20-2:1199  27  VAL  MGY       3.5   (#  1199:20 Single)
 &rst
  ixpk= 1199, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1047,1058,1059,
 igr2= 414, 415, 416, 418, 419, 420,
 &end
#
#   119  THR  HN    119  THR  MG2       4.5   (#  1200:20 Unique)
 &rst
  ixpk= 1200, nxpk= 20, iat=1803,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1809,1810,1811,
 &end
#
#   118  VAL  HN    119  THR  MG2       5.5   (#  1201:20 Unique)
 &rst
  ixpk= 1201, nxpk= 20, iat=1787,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1809,1810,1811,
 &end
#
#   120  TRP  HN    119  THR  MG2       3.5   (#  1202:20 Unique)
 &rst
  ixpk= 1202, nxpk= 20, iat=1817,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1809,1810,1811,
 &end
#
#   118  VAL  HA    119  THR  MG2       5.5   (#  1203:20 Unique)
 &rst
  ixpk= 1203, nxpk= 20, iat=1789,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1809,1810,1811,
 &end
#
#   119  THR  HA    119  THR  MG2       2.8   (#  1204:20 Unique)
 &rst
  ixpk= 1204, nxpk= 20, iat=1805,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1809,1810,1811,
 &end
#
#   119  THR  HB    119  THR  MG2       2.8   (#  1205:20 Unique)
 &rst
  ixpk= 1205, nxpk= 20, iat=1807,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1809,1810,1811,
 &end
#
#   117  GLU  HG+   119  THR  MG2       4.5   (#  1206:20 Unique)
 &rst
  ixpk= 1206, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1779,1780,
 igr2=1809,1810,1811,
 &end
#
#   117  GLU  HG-   119  THR  MG2       3.5   (#  1207:20 Unique)
 &rst
  ixpk= 1207, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1779,1780,
 igr2=1809,1810,1811,
 &end
#
#     0  AMB  20-2:1208 119  THR  MG2       4.5   (#  1208:20 Single)
 &rst
  ixpk= 1208, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1776,1777,1791,
 igr2=1809,1810,1811,
 &end
#
#     0  AMB  20-2:1209   0  AMB  20-1:1209     2.8   (#  1209:20 Double)
 &rst
  ixpk= 1209, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 408,1803,
 igr2= 414, 415, 416, 418, 419, 420,1793,1794,1795,1797,
      1798,1799,
 &end
#
#   110  LYS  HB+   118  VAL  MGY       2.8   (#  1210:20 Unique)
 &rst
  ixpk= 1210, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1654,1655,
 igr2=1793,1794,1795,1797,1798,1799,
 &end
#
#     0  AMB  20-2:1211   0  AMB  20-1:1211     2.8   (#  1211:20 Double)
 &rst
  ixpk= 1211, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 424,1650,
 igr2= 414, 415, 416, 418, 419, 420,1793,1794,1795,1797,
      1798,1799,
 &end
#
#   118  VAL  HN    118  VAL  MGY       4.5   (#  1212:20 Unique)
 &rst
  ixpk= 1212, nxpk= 20, iat=1787,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1793,1794,1795,1797,1798,1799,
 &end
#
#    27  VAL  HA     27  VAL  MGY       2.8   (#  1213:20 Unique)
 &rst
  ixpk= 1213, nxpk= 20, iat= 410,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 414, 415, 416, 418, 419, 420,
 &end
#
#     0  AMB  20-2:1214   0  AMB  20-1:1214     2.8   (#  1214:20 Double)
 &rst
  ixpk= 1214, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1654,1655, 412,
 igr2=1793,1794,1795,1797,1798,1799, 414, 415, 416, 418,
       419, 420,
 &end
#
#   118  VAL  HN    118  VAL  MGX       4.5   (#  1215:20 Unique)
 &rst
  ixpk= 1215, nxpk= 20, iat=1787,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1793,1794,1795,1797,1798,1799,
 &end
#
#   118  VAL  HB    118  VAL  MGX       2.8   (#  1216:20 Unique)
 &rst
  ixpk= 1216, nxpk= 20, iat=1791,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1793,1794,1795,1797,1798,1799,
 &end
#
#   118  VAL  HA    118  VAL  MGX       3.5   (#  1217:20 Unique)
 &rst
  ixpk= 1217, nxpk= 20, iat=1789,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1793,1794,1795,1797,1798,1799,
 &end
#
#   117  GLU  HA    119  THR  MG2       5.5   (#  1218:20 Unique)
 &rst
  ixpk= 1218, nxpk= 20, iat=1774,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1809,1810,1811,
 &end
#
#     0  AMB  20-2:1219  44  VAL  MGY       4.5   (#  1219:20 Single)
 &rst
  ixpk= 1219, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 627, 662,
 igr2= 650, 651, 652, 654, 655, 656,
 &end
#
#    61  SER  HN     60  VAL  MGX       4.5   (#  1220:20 Unique)
 &rst
  ixpk= 1220, nxpk= 20, iat= 933,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 923, 924, 925, 927, 928, 929,
 &end
#
#    60  VAL  MGX    60  VAL  HA         2.8   (#  1221:20 Single)
 &rst
  ixpk= 1221, nxpk= 20, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 923, 924, 925, 927, 928, 929,
 &end
#
#    64  MET  HG+    60  VAL  MGX       3.5   (#  1222:20 Unique)
 &rst
  ixpk= 1222, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 970, 971,
 igr2= 923, 924, 925, 927, 928, 929,
 &end
#
#     3  VAL  MGY    32  ARG  HB+        2.8   (#  1223:20 Double)
 &rst
  ixpk= 1223, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=  37,  38,  39,  41,  42,  43,
 igr2= 480, 481,
 &end
#
#    60  VAL  MGX    45  ARG  HG+        2.8   (#  1224:20 Double)
 &rst
  ixpk= 1224, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 923, 924, 925, 927, 928, 929,
 igr2= 667, 668,
 &end
#
#    64  MET  HG-    60  VAL  MGX       3.5   (#  1225:20 Unique)
 &rst
  ixpk= 1225, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 970, 971,
 igr2= 923, 924, 925, 927, 928, 929,
 &end
#
#     0  AMB  20-2:1227  27  VAL  MGY       4.5   (#  1227:20 Single)
 &rst
  ixpk= 1227, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 386, 426,
 igr2= 414, 415, 416, 418, 419, 420,
 &end
#
#    64  MET  HG-    27  VAL  MGY       4.5   (#  1228:20 Unique)
 &rst
  ixpk= 1228, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 970, 971,
 igr2= 414, 415, 416, 418, 419, 420,
 &end
#
#    64  MET  HG+    27  VAL  MGY       4.5   (#  1229:20 Unique)
 &rst
  ixpk= 1229, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 970, 971,
 igr2= 414, 415, 416, 418, 419, 420,
 &end
#
#   118  VAL  MGY    22  TYR  HD         7.0   (#  1230:20 Unique)
 &rst
  ixpk= 1230, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1=1793,1794,1795,1797,1798,1799,
 igr2= 317, 326,
 &end
#
#    44  VAL  HN     44  VAL  MGY       3.5   (#  1231:20 Unique)
 &rst
  ixpk= 1231, nxpk= 20, iat= 644,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 650, 651, 652, 654, 655, 656,
 &end
#
#    45  ARG  HN     44  VAL  MGY       4.5   (#  1232:20 Unique)
 &rst
  ixpk= 1232, nxpk= 20, iat= 660,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 650, 651, 652, 654, 655, 656,
 &end
#
#    44  VAL  HA     44  VAL  MGY       3.5   (#  1233:20 Unique)
 &rst
  ixpk= 1233, nxpk= 20, iat= 646,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 650, 651, 652, 654, 655, 656,
 &end
#
#    12  VAL  HA     44  VAL  MGY       5.5   (#  1234:20 Unique)
 &rst
  ixpk= 1234, nxpk= 20, iat= 164,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 650, 651, 652, 654, 655, 656,
 &end
#
#   105  SER  HA     44  VAL  MGY       3.5   (#  1235:20 Unique)
 &rst
  ixpk= 1235, nxpk= 20, iat=1571,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 650, 651, 652, 654, 655, 656,
 &end
#
#   105  SER  HB3    44  VAL  MGY       3.5   (#  1236:20 Unique)
 &rst
  ixpk= 1236, nxpk= 20, iat=1574,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 650, 651, 652, 654, 655, 656,
 &end
#
#     0  AMB  20-2:1237   0  AMB  20-1:1237     2.8   (#  1237:20 Double)
 &rst
  ixpk= 1237, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 667, 668,1619,1620,1614,
 igr2= 923, 924, 925, 927, 928, 929, 650, 651, 652, 654,
       655, 656,
 &end
#
#    60  VAL  MGX    60  VAL  HN         3.5   (#  1238:20 Unique)
 &rst
  ixpk= 1238, nxpk= 20, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 923, 924, 925, 927, 928, 929,
 &end
#
#    44  VAL  MGY    12  VAL  HA         5.5   (#  1239:20 Double)
 &rst
  ixpk= 1239, nxpk= 20, iat=  -1, 164, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 650, 651, 652, 654, 655, 656,
 &end
#
#    74  LEU  HN     74  LEU  MDY       5.5   (#  1240:20 Unique)
 &rst
  ixpk= 1240, nxpk= 20, iat=1103,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1112,1113,1114,1116,1117,1118,
 &end
#
#    60  VAL  MGX    64  MET  HN         5.5   (#  1241:20 Unique)
 &rst
  ixpk= 1241, nxpk= 20, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 923, 924, 925, 927, 928, 929,
 &end
#
#    78  ARG  HD-    19  VAL  MGX       3.5   (#  1242:20 Unique)
 &rst
  ixpk= 1242, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1153,1154,
 igr2= 257, 258, 259, 261, 262, 263,
 &end
#
#   110  LYS  HG+   118  VAL  MGX       4.5   (#  1243:20 Unique)
 &rst
  ixpk= 1243, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1657,1658,
 igr2=1793,1794,1795,1797,1798,1799,
 &end
#
#     0  AMB  20-2:1244   0  AMB  20-1:1244     3.5   (#  1244:20 Double)
 &rst
  ixpk= 1244, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1190,1191,1652,
 igr2= 257, 258, 259, 261, 262, 263,1793,1794,1795,1797,
      1798,1799,
 &end
#
#    74  LEU  HA     74  LEU  MDY       2.8   (#  1245:20 Unique)
 &rst
  ixpk= 1245, nxpk= 20, iat=1105,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1112,1113,1114,1116,1117,1118,
 &end
#
#     0  AMB  20-2:1246  74  LEU  MDY       4.5   (#  1246:20 Single)
 &rst
  ixpk= 1246, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1084,1085,1084,1085,
 igr2=1112,1113,1114,1116,1117,1118,
 &end
#
#    42  GLU  HG+    74  LEU  MDY       4.5   (#  1247:20 Unique)
 &rst
  ixpk= 1247, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 617, 618,
 igr2=1112,1113,1114,1116,1117,1118,
 &end
#
#     0  AMB  20-2:1248  74  LEU  MDY       2.8   (#  1248:20 Single)
 &rst
  ixpk= 1248, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1108, 389,
 igr2=1112,1113,1114,1116,1117,1118,
 &end
#
#    74  LEU  HG     74  LEU  MDY       2.8   (#  1249:20 Unique)
 &rst
  ixpk= 1249, nxpk= 20, iat=1110,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1112,1113,1114,1116,1117,1118,
 &end
#
#    74  LEU  HB2    74  LEU  MDY       3.5   (#  1250:20 Unique)
 &rst
  ixpk= 1250, nxpk= 20, iat=1107,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1112,1113,1114,1116,1117,1118,
 &end
#
#    90  VAL  HA     90  VAL  MGY       3.5   (#  1251:20 Unique)
 &rst
  ixpk= 1251, nxpk= 20, iat=1353,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#    90  VAL  HN     90  VAL  MGY       3.5   (#  1252:20 Unique)
 &rst
  ixpk= 1252, nxpk= 20, iat=1351,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#    90  VAL  HB     90  VAL  MGY       3.5   (#  1253:20 Unique)
 &rst
  ixpk= 1253, nxpk= 20, iat=1355,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#   106  THR  MG2    90  VAL  MGY       3.5   (#  1254:20 Unique)
 &rst
  ixpk= 1254, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1586,1587,1588,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#    89  HIS  HA     90  VAL  MGY       4.5   (#  1255:20 Unique)
 &rst
  ixpk= 1255, nxpk= 20, iat=1336,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#   106  THR  HA     90  VAL  MGY       4.5   (#  1256:20 Unique)
 &rst
  ixpk= 1256, nxpk= 20, iat=1582,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#     3  VAL  MGY     3  VAL  HA         2.8   (#  1257:20 Unique)
 &rst
  ixpk= 1257, nxpk= 20, iat=  -1,  33, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=  37,  38,  39,  41,  42,  43,
 &end
#
#     3  VAL  MGY     3  VAL  HB         2.8   (#  1258:20 Unique)
 &rst
  ixpk= 1258, nxpk= 20, iat=  -1,  35, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=  37,  38,  39,  41,  42,  43,
 &end
#
#    21  LYS  HN     19  VAL  MGX       4.5   (#  1259:20 Unique)
 &rst
  ixpk= 1259, nxpk= 20, iat= 287,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 257, 258, 259, 261, 262, 263,
 &end
#
#    20  PHE  HN     19  VAL  MGX       3.5   (#  1260:20 Unique)
 &rst
  ixpk= 1260, nxpk= 20, iat= 267,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 257, 258, 259, 261, 262, 263,
 &end
#
#    78  ARG  HA     19  VAL  MGX       5.5   (#  1261:20 Unique)
 &rst
  ixpk= 1261, nxpk= 20, iat=1145,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 257, 258, 259, 261, 262, 263,
 &end
#
#    78  ARG  HD+    19  VAL  MGX       3.5   (#  1262:20 Unique)
 &rst
  ixpk= 1262, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1153,1154,
 igr2= 257, 258, 259, 261, 262, 263,
 &end
#
#    19  VAL  HB     19  VAL  MGX       2.8   (#  1263:20 Unique)
 &rst
  ixpk= 1263, nxpk= 20, iat= 255,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 257, 258, 259, 261, 262, 263,
 &end
#
#    19  VAL  HA     19  VAL  MGX       2.8   (#  1264:20 Unique)
 &rst
  ixpk= 1264, nxpk= 20, iat= 253,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 257, 258, 259, 261, 262, 263,
 &end
#
#     3  VAL  HN      3  VAL  MGY       3.5   (#  1265:20 Unique)
 &rst
  ixpk= 1265, nxpk= 20, iat=  31,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=  37,  38,  39,  41,  42,  43,
 &end
#
#    19  VAL  MGY    19  VAL  HB         2.8   (#  1266:20 Double)
 &rst
  ixpk= 1266, nxpk= 20, iat=  -1, 255, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 257, 258, 259, 261, 262, 263,
 &end
#
#    44  VAL  HN     44  VAL  MGX       4.5   (#  1267:20 Unique)
 &rst
  ixpk= 1267, nxpk= 20, iat= 644,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 650, 651, 652, 654, 655, 656,
 &end
#
#    19  VAL  HN     19  VAL  MGY       3.5   (#  1268:20 Unique)
 &rst
  ixpk= 1268, nxpk= 20, iat= 251,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 257, 258, 259, 261, 262, 263,
 &end
#
#    19  VAL  HA     19  VAL  MGY       2.8   (#  1269:20 Unique)
 &rst
  ixpk= 1269, nxpk= 20, iat= 253,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 257, 258, 259, 261, 262, 263,
 &end
#
#    19  VAL  MGY    80  SER  HB-        3.5   (#  1270:20 Unique)
 &rst
  ixpk= 1270, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 257, 258, 259, 261, 262, 263,
 igr2=1190,1191,
 &end
#
#    45  ARG  HN     44  VAL  MGX       4.5   (#  1272:20 Unique)
 &rst
  ixpk= 1272, nxpk= 20, iat= 660,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 650, 651, 652, 654, 655, 656,
 &end
#
#    44  VAL  HA     44  VAL  MGX       3.5   (#  1273:20 Unique)
 &rst
  ixpk= 1273, nxpk= 20, iat= 646,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 650, 651, 652, 654, 655, 656,
 &end
#
#    44  VAL  HB     44  VAL  MGX       2.8   (#  1274:20 Unique)
 &rst
  ixpk= 1274, nxpk= 20, iat= 648,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 650, 651, 652, 654, 655, 656,
 &end
#
#    79  ILE  QD1    44  VAL  MGX       3.5   (#  1275:20 Unique)
 &rst
  ixpk= 1275, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1180,1181,1182,
 igr2= 650, 651, 652, 654, 655, 656,
 &end
#
#   102  HIS  HD2    44  VAL  MGX       5.5   (#  1276:20 Unique)
 &rst
  ixpk= 1276, nxpk= 20, iat=1536,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 650, 651, 652, 654, 655, 656,
 &end
#
#    20  PHE  HN     19  VAL  MGY       4.5   (#  1277:20 Unique)
 &rst
  ixpk= 1277, nxpk= 20, iat= 267,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 257, 258, 259, 261, 262, 263,
 &end
#
#     4  ALA  HN      3  VAL  MGX       5.5   (#  1278:20 Unique)
 &rst
  ixpk= 1278, nxpk= 20, iat=  47,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=  37,  38,  39,  41,  42,  43,
 &end
#
#     3  VAL  HN      3  VAL  MGX       3.5   (#  1282:20 Unique)
 &rst
  ixpk= 1282, nxpk= 20, iat=  31,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=  37,  38,  39,  41,  42,  43,
 &end
#
#     3  VAL  MGX     3  VAL  HB         2.8   (#  1283:20 Unique)
 &rst
  ixpk= 1283, nxpk= 20, iat=  -1,  35, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=  37,  38,  39,  41,  42,  43,
 &end
#
#     3  VAL  MGX     2  ALA  HA         4.5   (#  1284:20 Unique)
 &rst
  ixpk= 1284, nxpk= 20, iat=  -1,  23, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  37,  38,  39,  41,  42,  43,
 &end
#
#    32  ARG  HG+     3  VAL  MGX       4.5   (#  1286:20 Unique)
 &rst
  ixpk= 1286, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 483, 484,
 igr2=  37,  38,  39,  41,  42,  43,
 &end
#
#   109  ILE  HB    109  ILE  QG2       4.5   (#  1287:20 Unique)
 &rst
  ixpk= 1287, nxpk= 20, iat=1635,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1637,1638,1639,
 &end
#
#    23  VAL  HN     23  VAL  MGX       3.5   (#  1289:20 Unique)
 &rst
  ixpk= 1289, nxpk= 20, iat= 330,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
#    45  ARG  HN     23  VAL  MGX       5.5   (#  1290:20 Unique)
 &rst
  ixpk= 1290, nxpk= 20, iat= 660,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
#     0  AMB  20-2:1291  23  VAL  MGX       4.5   (#  1291:20 Single)
 &rst
  ixpk= 1291, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 346, 862,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
#    57  TYR  HD     23  VAL  MGX       4.5   (#  1292:20 Unique)
 &rst
  ixpk= 1292, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 870, 879,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
#    57  TYR  HE     23  VAL  MGX       7.0   (#  1293:20 Unique)
 &rst
  ixpk= 1293, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1= 872, 877,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
#    22  TYR  HA     23  VAL  MGX       5.5   (#  1294:20 Unique)
 &rst
  ixpk= 1294, nxpk= 20, iat= 311,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
#    25  ILE  HA     23  VAL  MGX       4.5   (#  1295:20 Unique)
 &rst
  ixpk= 1295, nxpk= 20, iat= 367,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
#    23  VAL  HA     23  VAL  MGX       5.5   (#  1296:20 Unique)
 &rst
  ixpk= 1296, nxpk= 20, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
#   109  ILE  HA    109  ILE  QG2       4.5   (#  1298:20 Unique)
 &rst
  ixpk= 1298, nxpk= 20, iat=1633,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1637,1638,1639,
 &end
#
#    57  TYR  HB2    23  VAL  MGX       5.5   (#  1301:20 Unique)
 &rst
  ixpk= 1301, nxpk= 20, iat= 866,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
#     0  AMB  20-2:1302  23  VAL  MGX       2.8   (#  1302:20 Single)
 &rst
  ixpk= 1302, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 847, 334,1096,1097,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
#    25  ILE  HG1-   23  VAL  MGX       2.8   (#  1303:20 Unique)
 &rst
  ixpk= 1303, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 375, 376,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
#    38  ALA  HN     38  ALA  MB        2.8   (#  1304:20 Unique)
 &rst
  ixpk= 1304, nxpk= 20, iat= 552,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 556, 557, 558,
 &end
#
#     0  AMB  20-2:1305  38  ALA  MB        5.5   (#  1305:20 Single)
 &rst
  ixpk= 1305, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 564, 443,
 igr2= 556, 557, 558,
 &end
#
#    38  ALA  HA     38  ALA  MB        2.8   (#  1306:20 Unique)
 &rst
  ixpk= 1306, nxpk= 20, iat= 554,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 556, 557, 558,
 &end
#
#     0  AMB  20-2:1307  38  ALA  MB        4.5   (#  1307:20 Single)
 &rst
  ixpk= 1307, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 569, 570, 569, 570,
 igr2= 556, 557, 558,
 &end
#
#    37  ALA  MB     38  ALA  HN         3.5   (#  1309:20 Unique)
 &rst
  ixpk= 1309, nxpk= 20, iat=  -1, 552, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 546, 547, 548,
 &end
#
#    37  ALA  HN     37  ALA  MB        2.8   (#  1310:20 Unique)
 &rst
  ixpk= 1310, nxpk= 20, iat= 542,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 546, 547, 548,
 &end
#
#    37  ALA  HA     37  ALA  MB        2.8   (#  1311:20 Unique)
 &rst
  ixpk= 1311, nxpk= 20, iat= 544,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 546, 547, 548,
 &end
#
#     0  AMB  20-2:1312  37  ALA  MB        4.5   (#  1312:20 Single)
 &rst
  ixpk= 1312, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 569, 570, 569, 570,
 igr2= 546, 547, 548,
 &end
#
#    37  ALA  MB     36  PRO  HG-        4.5   (#  1313:20 Single)
 &rst
  ixpk= 1313, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 546, 547, 548,
 igr2= 532, 533,
 &end
#
#     4  ALA  HN      4  ALA  MB        2.8   (#  1314:20 Unique)
 &rst
  ixpk= 1314, nxpk= 20, iat=  47,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=  51,  52,  53,
 &end
#
#    30  ALA  HN      4  ALA  MB        5.5   (#  1315:20 Unique)
 &rst
  ixpk= 1315, nxpk= 20, iat= 452,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  51,  52,  53,
 &end
#
#     5  ASP  HN      4  ALA  MB        3.5   (#  1316:20 Unique)
 &rst
  ixpk= 1316, nxpk= 20, iat=  57,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  51,  52,  53,
 &end
#
#     4  ALA  HA      4  ALA  MB        2.8   (#  1317:20 Unique)
 &rst
  ixpk= 1317, nxpk= 20, iat=  49,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=  51,  52,  53,
 &end
#
#     4  ALA  MB      3  VAL  HA         4.5   (#  1318:20 Unique)
 &rst
  ixpk= 1318, nxpk= 20, iat=  -1,  33, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  51,  52,  53,
 &end
#
#     4  ALA  MB     68  GLY  HA-        5.5   (#  1319:20 Unique)
 &rst
  ixpk= 1319, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  51,  52,  53,
 igr2=1038,1039,
 &end
#
#     4  ALA  MB     31  PRO  HG+        4.5   (#  1320:20 Single)
 &rst
  ixpk= 1320, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  51,  52,  53,
 igr2= 466, 467,
 &end
#
#     4  ALA  MB      6  LEU  HN         5.5   (#  1321:20 Unique)
 &rst
  ixpk= 1321, nxpk= 20, iat=  -1,  69, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  51,  52,  53,
 &end
#
#    67  GLN  HA      4  ALA  MB        3.5   (#  1322:20 Unique)
 &rst
  ixpk= 1322, nxpk= 20, iat=1021,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  51,  52,  53,
 &end
#
#     4  ALA  MB      5  ASP  HB+        7.0   (#  1323:20 Single)
 &rst
  ixpk= 1323, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=  51,  52,  53,
 igr2=  61,  62,
 &end
#
#    67  GLN  HB3     4  ALA  MB        3.5   (#  1324:20 Unique)
 &rst
  ixpk= 1324, nxpk= 20, iat=1024,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  51,  52,  53,
 &end
#
#    29  SER  HN     38  ALA  MB        5.5   (#  1325:20 Unique)
 &rst
  ixpk= 1325, nxpk= 20, iat= 441,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 556, 557, 558,
 &end
#
#    63  ASP  HN     64  MET  ME        7.0   (#  1328:20 Unique)
 &rst
  ixpk= 1328, nxpk= 20, iat= 951,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 974, 975, 976,
 &end
#
#    67  GLN  HE2-   64  MET  ME        4.5   (#  1329:20 Unique)
 &rst
  ixpk= 1329, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1031,1032,
 igr2= 974, 975, 976,
 &end
#
#    64  MET  HA     64  MET  ME        2.8   (#  1333:20 Unique)
 &rst
  ixpk= 1333, nxpk= 20, iat= 965,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 974, 975, 976,
 &end
#
#     0  AMB  20-2:1335  64  MET  ME        5.5   (#  1335:20 Single)
 &rst
  ixpk= 1335, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1048, 601, 602,
 igr2= 974, 975, 976,
 &end
#
#    64  MET  HG+    64  MET  ME        2.8   (#  1336:20 Unique)
 &rst
  ixpk= 1336, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 970, 971,
 igr2= 974, 975, 976,
 &end
#
#    60  VAL  MGY    64  MET  ME        4.5   (#  1337:20 Unique)
 &rst
  ixpk= 1337, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 923, 924, 925, 927, 928, 929,
 igr2= 974, 975, 976,
 &end
#
#     9  ILE  HG1+   64  MET  ME        3.5   (#  1338:20 Unique)
 &rst
  ixpk= 1338, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 127, 128,
 igr2= 974, 975, 976,
 &end
#
#    60  VAL  MGX    64  MET  ME        2.8   (#  1339:20 Unique)
 &rst
  ixpk= 1339, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 923, 924, 925, 927, 928, 929,
 igr2= 974, 975, 976,
 &end
#
#     0  AMB  20-2:1340  64  MET  ME        2.8   (#  1340:20 Single)
 &rst
  ixpk= 1340, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 123, 124, 125, 130, 131, 132,
 igr2= 974, 975, 976,
 &end
#
#    43  ILE  QD1    64  MET  ME        2.8   (#  1341:20 Unique)
 &rst
  ixpk= 1341, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 638, 639, 640,
 igr2= 974, 975, 976,
 &end
#
#    64  MET  HN     64  MET  ME        4.5   (#  1342:20 Unique)
 &rst
  ixpk= 1342, nxpk= 20, iat= 963,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 974, 975, 976,
 &end
#
#    67  GLN  HN     64  MET  ME        5.5   (#  1343:20 Unique)
 &rst
  ixpk= 1343, nxpk= 20, iat=1019,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 974, 975, 976,
 &end
#
#    67  GLN  HE2+   64  MET  ME        5.5   (#  1344:20 Unique)
 &rst
  ixpk= 1344, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1031,1032,
 igr2= 974, 975, 976,
 &end
#
#    64  MET  ME     60  VAL  HA         5.5   (#  1345:20 Single)
 &rst
  ixpk= 1345, nxpk= 20, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 974, 975, 976,
 &end
#
#    63  ASP  HB3    64  MET  ME        3.5   (#  1346:20 Unique)
 &rst
  ixpk= 1346, nxpk= 20, iat= 956,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 974, 975, 976,
 &end
#
#     3  VAL  HN      2  ALA  MB        3.5   (#  1348:20 Unique)
 &rst
  ixpk= 1348, nxpk= 20, iat=  31,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  25,  26,  27,
 &end
#
#     2  ALA  HA      2  ALA  MB        2.8   (#  1349:20 Unique)
 &rst
  ixpk= 1349, nxpk= 20, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=  25,  26,  27,
 &end
#
#    47  TYR  HD     50  ALA  MB        5.5   (#  1350:20 Unique)
 &rst
  ixpk= 1350, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 699, 708,
 igr2= 762, 763, 764,
 &end
#
#    56  ILE  HA     50  ALA  MB        5.5   (#  1351:20 Unique)
 &rst
  ixpk= 1351, nxpk= 20, iat= 845,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 762, 763, 764,
 &end
#
#     2  ALA  HA      2  ALA  MB        3.5   (#  1353:20 Unique)
 &rst
  ixpk= 1353, nxpk= 20, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  25,  26,  27,
 &end
#
#    51  GLU  HA     50  ALA  MB        5.5   (#  1354:20 Unique)
 &rst
  ixpk= 1354, nxpk= 20, iat= 770,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 762, 763, 764,
 &end
#
#    55  ASP  HB2    50  ALA  MB        3.5   (#  1355:20 Unique)
 &rst
  ixpk= 1355, nxpk= 20, iat= 835,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 762, 763, 764,
 &end
#
#     0  AMB  20-2:1356  50  ALA  MB        5.5   (#  1356:20 Single)
 &rst
  ixpk= 1356, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 902, 903, 665,
 igr2= 762, 763, 764,
 &end
#
#    51  GLU  HN     50  ALA  MB        3.5   (#  1357:20 Unique)
 &rst
  ixpk= 1357, nxpk= 20, iat= 768,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 762, 763, 764,
 &end
#
#    52  TYR  HN     50  ALA  MB        4.5   (#  1358:20 Unique)
 &rst
  ixpk= 1358, nxpk= 20, iat= 783,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 762, 763, 764,
 &end
#
#    56  ILE  HN     50  ALA  MB        3.5   (#  1359:20 Unique)
 &rst
  ixpk= 1359, nxpk= 20, iat= 843,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 762, 763, 764,
 &end
#
#    49  TRP  HZ3    50  ALA  MB        4.5   (#  1360:20 Unique)
 &rst
  ixpk= 1360, nxpk= 20, iat= 751,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 762, 763, 764,
 &end
#
#    50  ALA  HN     50  ALA  MB        2.8   (#  1361:20 Unique)
 &rst
  ixpk= 1361, nxpk= 20, iat= 758,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 762, 763, 764,
 &end
#
#    50  ALA  HA     50  ALA  MB        2.8   (#  1362:20 Unique)
 &rst
  ixpk= 1362, nxpk= 20, iat= 760,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 762, 763, 764,
 &end
#
#    55  ASP  HB3    50  ALA  MB        3.5   (#  1363:20 Unique)
 &rst
  ixpk= 1363, nxpk= 20, iat= 836,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 762, 763, 764,
 &end
#
#    56  ILE  HG1-   50  ALA  MB        2.8   (#  1364:20 Unique)
 &rst
  ixpk= 1364, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 853, 854,
 igr2= 762, 763, 764,
 &end
#
#    46  GLY  HA+    56  ILE  QG2       5.5   (#  1366:20 Unique)
 &rst
  ixpk= 1366, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 686, 687,
 igr2= 849, 850, 851,
 &end
#
#    45  ARG  HN     56  ILE  QG2       7.0   (#  1367:20 Unique)
 &rst
  ixpk= 1367, nxpk= 20, iat= 660,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 849, 850, 851,
 &end
#
#    57  TYR  HN     56  ILE  QG2       5.5   (#  1368:20 Unique)
 &rst
  ixpk= 1368, nxpk= 20, iat= 862,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 849, 850, 851,
 &end
#
#    49  TRP  HH2    56  ILE  QG2       5.5   (#  1369:20 Unique)
 &rst
  ixpk= 1369, nxpk= 20, iat= 749,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 849, 850, 851,
 &end
#
#    47  TYR  HE     56  ILE  QG2       3.5   (#  1370:20 Unique)
 &rst
  ixpk= 1370, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 701, 706,
 igr2= 849, 850, 851,
 &end
#
#    56  ILE  HA     56  ILE  QG2       2.8   (#  1371:20 Unique)
 &rst
  ixpk= 1371, nxpk= 20, iat= 845,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 849, 850, 851,
 &end
#
#     0  AMB  20-2:1372  56  ILE  QG2       2.8   (#  1372:20 Single)
 &rst
  ixpk= 1372, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 847, 334,
 igr2= 849, 850, 851,
 &end
#
#    60  VAL  HB     56  ILE  QG2       5.5   (#  1373:20 Unique)
 &rst
  ixpk= 1373, nxpk= 20, iat= 921,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 849, 850, 851,
 &end
#
#    56  ILE  HG1-   56  ILE  QG2       3.5   (#  1374:20 Unique)
 &rst
  ixpk= 1374, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 853, 854,
 igr2= 849, 850, 851,
 &end
#
#    45  ARG  HB3    56  ILE  QG2       3.5   (#  1375:20 Unique)
 &rst
  ixpk= 1375, nxpk= 20, iat= 665,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 849, 850, 851,
 &end
#
#     0  AMB  20-2:1376 100  ALA  MB        4.5   (#  1376:20 Single)
 &rst
  ixpk= 1376, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 348,1397,
 igr2=1500,1501,1502,
 &end
#
#    99  PRO  HA    100  ALA  MB        5.5   (#  1377:20 Unique)
 &rst
  ixpk= 1377, nxpk= 20, iat=1492,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1500,1501,1502,
 &end
#
#    56  ILE  HN     56  ILE  QG2       4.5   (#  1379:20 Unique)
 &rst
  ixpk= 1379, nxpk= 20, iat= 843,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 849, 850, 851,
 &end
#
#    47  TYR  HD     56  ILE  QG2       3.5   (#  1380:20 Unique)
 &rst
  ixpk= 1380, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 699, 708,
 igr2= 849, 850, 851,
 &end
#
#    47  TYR  HN     56  ILE  QG2       5.5   (#  1381:20 Unique)
 &rst
  ixpk= 1381, nxpk= 20, iat= 691,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 849, 850, 851,
 &end
#
#    24  LEU  HN    100  ALA  MB        4.5   (#  1382:20 Unique)
 &rst
  ixpk= 1382, nxpk= 20, iat= 346,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1500,1501,1502,
 &end
#
#   101  GLN  HN    100  ALA  MB        3.5   (#  1383:20 Unique)
 &rst
  ixpk= 1383, nxpk= 20, iat=1506,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1500,1501,1502,
 &end
#
#     0  AMB  20-2:1384 100  ALA  MB        3.5   (#  1384:20 Single)
 &rst
  ixpk= 1384, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 319, 324,1136,1533,
 igr2=1500,1501,1502,
 &end
#
#   100  ALA  HN    100  ALA  MB        2.8   (#  1385:20 Unique)
 &rst
  ixpk= 1385, nxpk= 20, iat=1496,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1500,1501,1502,
 &end
#
#   102  HIS  HD2   100  ALA  MB        4.5   (#  1386:20 Unique)
 &rst
  ixpk= 1386, nxpk= 20, iat=1536,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1500,1501,1502,
 &end
#
#    23  VAL  HA    100  ALA  MB        5.5   (#  1387:20 Unique)
 &rst
  ixpk= 1387, nxpk= 20, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1500,1501,1502,
 &end
#
#   100  ALA  HA    100  ALA  MB        2.8   (#  1388:20 Unique)
 &rst
  ixpk= 1388, nxpk= 20, iat=1498,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1500,1501,1502,
 &end
#
#     0  AMB  20-2:1389 100  ALA  MB        3.5   (#  1389:20 Single)
 &rst
  ixpk= 1389, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1525,1124,1125,1508,
 igr2=1500,1501,1502,
 &end
#
#    76  GLY  HA-   100  ALA  MB        4.5   (#  1390:20 Unique)
 &rst
  ixpk= 1390, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1131,1132,
 igr2=1500,1501,1502,
 &end
#
#     0  AMB  20-2:1391 100  ALA  MB        4.5   (#  1391:20 Single)
 &rst
  ixpk= 1391, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1510,1511,1554,
 igr2=1500,1501,1502,
 &end
#
#   101  GLN  HB-   100  ALA  MB        5.5   (#  1392:20 Unique)
 &rst
  ixpk= 1392, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1510,1511,
 igr2=1500,1501,1502,
 &end
#
#    24  LEU  HB+   100  ALA  MB        3.5   (#  1393:20 Unique)
 &rst
  ixpk= 1393, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 350, 351,
 igr2=1500,1501,1502,
 &end
#
#    55  ASP  HN     54  ALA  MB        3.5   (#  1394:20 Unique)
 &rst
  ixpk= 1394, nxpk= 20, iat= 831,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 825, 826, 827,
 &end
#
#    96  ALA  MB     54  ALA  MB        4.5   (#  1395:20 Unique)
 &rst
  ixpk= 1395, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1448,1449,1450,
 igr2= 825, 826, 827,
 &end
#
#    54  ALA  HN     54  ALA  MB        2.8   (#  1396:20 Unique)
 &rst
  ixpk= 1396, nxpk= 20, iat= 821,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 825, 826, 827,
 &end
#
#    57  TYR  HD     54  ALA  MB        7.0   (#  1397:20 Unique)
 &rst
  ixpk= 1397, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 870, 879,
 igr2= 825, 826, 827,
 &end
#
#    97  TYR  HE     54  ALA  MB        4.5   (#  1398:20 Unique)
 &rst
  ixpk= 1398, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1464,1469,
 igr2= 825, 826, 827,
 &end
#
#    55  ASP  HA     54  ALA  MB        5.5   (#  1399:20 Unique)
 &rst
  ixpk= 1399, nxpk= 20, iat= 833,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 825, 826, 827,
 &end
#
#    30  ALA  MB     33  SER  HA         4.5   (#  1401:20 Double)
 &rst
  ixpk= 1401, nxpk= 20, iat=  -1, 502, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 456, 457, 458,
 &end
#
#    57  TYR  HN     54  ALA  MB        7.0   (#  1402:20 Unique)
 &rst
  ixpk= 1402, nxpk= 20, iat= 862,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 825, 826, 827,
 &end
#
#    54  ALA  HA     54  ALA  MB        2.8   (#  1403:20 Unique)
 &rst
  ixpk= 1403, nxpk= 20, iat= 823,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 825, 826, 827,
 &end
#
#    52  TYR  HB+    54  ALA  MB        4.5   (#  1404:20 Unique)
 &rst
  ixpk= 1404, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 787, 788,
 igr2= 825, 826, 827,
 &end
#
#     0  AMB  20-2:1405  54  ALA  MB        4.5   (#  1405:20 Single)
 &rst
  ixpk= 1405, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 867, 836,
 igr2= 825, 826, 827,
 &end
#
#    52  TYR  HB-    54  ALA  MB        3.5   (#  1406:20 Unique)
 &rst
  ixpk= 1406, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 787, 788,
 igr2= 825, 826, 827,
 &end
#
#    58  ASP  HB+    54  ALA  MB        7.0   (#  1407:20 Unique)
 &rst
  ixpk= 1407, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 887, 888,
 igr2= 825, 826, 827,
 &end
#
#    30  ALA  HA     30  ALA  MB        2.8   (#  1408:20 Unique)
 &rst
  ixpk= 1408, nxpk= 20, iat= 454,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 456, 457, 458,
 &end
#
#    30  ALA  MB     29  SER  HA         4.5   (#  1409:20 Single)
 &rst
  ixpk= 1409, nxpk= 20, iat=  -1, 443, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 456, 457, 458,
 &end
#
#    35  ALA  HN     35  ALA  MB        3.5   (#  1410:20 Unique)
 &rst
  ixpk= 1410, nxpk= 20, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 522, 523, 524,
 &end
#
#    35  ALA  HA     35  ALA  MB        2.8   (#  1411:20 Unique)
 &rst
  ixpk= 1411, nxpk= 20, iat= 520,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 522, 523, 524,
 &end
#
#     0  AMB  20-2:1412  35  ALA  MB        3.5   (#  1412:20 Single)
 &rst
  ixpk= 1412, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 529, 530, 463, 464,
 igr2= 522, 523, 524,
 &end
#
#    88  ILE  HA     88  ILE  QG2       5.5   (#  1413:20 Unique)
 &rst
  ixpk= 1413, nxpk= 20, iat=1317,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1321,1322,1323,
 &end
#
#    30  ALA  MB     30  ALA  HN         3.5   (#  1415:20 Single)
 &rst
  ixpk= 1415, nxpk= 20, iat=  -1, 452, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 456, 457, 458,
 &end
#
#    30  ALA  MB     31  PRO  HD+        3.5   (#  1416:20 Unique)
 &rst
  ixpk= 1416, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 456, 457, 458,
 igr2= 463, 464,
 &end
#
#    31  PRO  HD-    30  ALA  MB        3.5   (#  1417:20 Unique)
 &rst
  ixpk= 1417, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 463, 464,
 igr2= 456, 457, 458,
 &end
#
#    41  LYS  HE+    43  ILE  QG2       4.5   (#  1418:20 Unique)
 &rst
  ixpk= 1418, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 601, 602,
 igr2= 631, 632, 633,
 &end
#
#     0  AMB  20-2:1419  43  ILE  QG2       4.5   (#  1419:20 Single)
 &rst
  ixpk= 1419, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 412, 121,
 igr2= 631, 632, 633,
 &end
#
#    43  ILE  HN     43  ILE  QG2       4.5   (#  1420:20 Unique)
 &rst
  ixpk= 1420, nxpk= 20, iat= 625,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 631, 632, 633,
 &end
#
#     0  AMB  20-2:1421  43  ILE  QG2       4.5   (#  1421:20 Single)
 &rst
  ixpk= 1421, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 644, 150,
 igr2= 631, 632, 633,
 &end
#
#    43  ILE  HA     43  ILE  QG2       2.8   (#  1422:20 Unique)
 &rst
  ixpk= 1422, nxpk= 20, iat= 627,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 631, 632, 633,
 &end
#
#     0  AMB  20-2:1423   0  AMB  20-1:1423     7.0   (#  1423:20 Double)
 &rst
  ixpk= 1423, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1=1418, 590,
 igr2=1448,1449,1450, 631, 632, 633,
 &end
#
#    11  ASP  HA     43  ILE  QG2       2.8   (#  1424:20 Unique)
 &rst
  ixpk= 1424, nxpk= 20, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 631, 632, 633,
 &end
#
#     0  AMB  20-2:1425  43  ILE  QG2       3.5   (#  1425:20 Single)
 &rst
  ixpk= 1425, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 601, 602, 154, 155,
 igr2= 631, 632, 633,
 &end
#
#    43  ILE  HB     43  ILE  QG2       2.8   (#  1426:20 Unique)
 &rst
  ixpk= 1426, nxpk= 20, iat= 629,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 631, 632, 633,
 &end
#
#     0  AMB  20-2:1427  43  ILE  QG2       3.5   (#  1427:20 Single)
 &rst
  ixpk= 1427, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 598, 599,1619,1620, 667, 668, 369,
 igr2= 631, 632, 633,
 &end
#
#    45  ARG  HE     43  ILE  QG2       5.5   (#  1428:20 Unique)
 &rst
  ixpk= 1428, nxpk= 20, iat= 673,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 631, 632, 633,
 &end
#
#    97  TYR  HD     96  ALA  MB        5.5   (#  1429:20 Unique)
 &rst
  ixpk= 1429, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1462,1471,
 igr2=1448,1449,1450,
 &end
#
#    96  ALA  HA     96  ALA  MB        2.8   (#  1430:20 Unique)
 &rst
  ixpk= 1430, nxpk= 20, iat=1446,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1448,1449,1450,
 &end
#
#    43  ILE  QG2    41  LYS  HD-        4.5   (#  1431:20 Double)
 &rst
  ixpk= 1431, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 631, 632, 633,
 igr2= 598, 599,
 &end
#
#     6  LEU  HN      7  ALA  MB        5.5   (#  1432:20 Unique)
 &rst
  ixpk= 1432, nxpk= 20, iat=  69,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  92,  93,  94,
 &end
#
#    97  TYR  HN     96  ALA  MB        5.5   (#  1433:20 Unique)
 &rst
  ixpk= 1433, nxpk= 20, iat=1454,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1448,1449,1450,
 &end
#
#     0  AMB  20-2:1434 103  ALA  MB        4.5   (#  1434:20 Single)
 &rst
  ixpk= 1434, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1508,1525,1584,
 igr2=1544,1545,1546,
 &end
#
#     7  ALA  HN      7  ALA  MB        2.8   (#  1435:20 Unique)
 &rst
  ixpk= 1435, nxpk= 20, iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=  92,  93,  94,
 &end
#
#     8  LEU  HN      7  ALA  MB        3.5   (#  1436:20 Unique)
 &rst
  ixpk= 1436, nxpk= 20, iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  92,  93,  94,
 &end
#
#     7  ALA  HA      7  ALA  MB        2.8   (#  1437:20 Unique)
 &rst
  ixpk= 1437, nxpk= 20, iat=  90,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=  92,  93,  94,
 &end
#
#   104  ILE  HN    103  ALA  MB        3.5   (#  1438:20 Unique)
 &rst
  ixpk= 1438, nxpk= 20, iat=1550,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1544,1545,1546,
 &end
#
#     0  AMB  20-2:1439 103  ALA  MB        5.5   (#  1439:20 Single)
 &rst
  ixpk= 1439, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1832,1594,
 igr2=1544,1545,1546,
 &end
#
#   103  ALA  HN    103  ALA  MB        2.8   (#  1440:20 Unique)
 &rst
  ixpk= 1440, nxpk= 20, iat=1540,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1544,1545,1546,
 &end
#
#   120  TRP  HZ2   103  ALA  MB        3.5   (#  1441:20 Unique)
 &rst
  ixpk= 1441, nxpk= 20, iat=1830,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1544,1545,1546,
 &end
#
#   120  TRP  HD1   103  ALA  MB        4.5   (#  1442:20 Unique)
 &rst
  ixpk= 1442, nxpk= 20, iat=1825,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1544,1545,1546,
 &end
#
#   103  ALA  HA    103  ALA  MB        2.8   (#  1443:20 Unique)
 &rst
  ixpk= 1443, nxpk= 20, iat=1542,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1544,1545,1546,
 &end
#
#     0  AMB  20-2:1444 103  ALA  MB        5.5   (#  1444:20 Single)
 &rst
  ixpk= 1444, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1513,1514,1598,1599,
 igr2=1544,1545,1546,
 &end
#
#     0  AMB  20-2:1445 103  ALA  MB        4.5   (#  1445:20 Single)
 &rst
  ixpk= 1445, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1510,1511,1554,
 igr2=1544,1545,1546,
 &end
#
#   112  LYS  HN    111  ALA  MB        3.5   (#  1446:20 Unique)
 &rst
  ixpk= 1446, nxpk= 20, iat=1682,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1676,1677,1678,
 &end
#
#   111  ALA  HN    111  ALA  MB        2.8   (#  1447:20 Unique)
 &rst
  ixpk= 1447, nxpk= 20, iat=1672,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1676,1677,1678,
 &end
#
#     0  AMB  20-2:1448 111  ALA  MB        2.8   (#  1448:20 Single)
 &rst
  ixpk= 1448, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1674,1611,
 igr2=1676,1677,1678,
 &end
#
#    79  ILE  HG1-   79  ILE  QG2       4.5   (#  1449:20 Unique)
 &rst
  ixpk= 1449, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1177,1178,
 igr2=1173,1174,1175,
 &end
#
#    79  ILE  HA     79  ILE  QG2       4.5   (#  1451:20 Unique)
 &rst
  ixpk= 1451, nxpk= 20, iat=1169,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1173,1174,1175,
 &end
#
#    80  SER  HN     79  ILE  QG2       5.5   (#  1452:20 Unique)
 &rst
  ixpk= 1452, nxpk= 20, iat=1186,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1173,1174,1175,
 &end
#
#    14  ILE  HN     14  ILE  QG2       5.5   (#  1453:20 Unique)
 &rst
  ixpk= 1453, nxpk= 20, iat= 190,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 196, 197, 198,
 &end
#
#    46  GLY  HN     14  ILE  QG2       3.5   (#  1454:20 Unique)
 &rst
  ixpk= 1454, nxpk= 20, iat= 684,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 196, 197, 198,
 &end
#
#    14  ILE  HA     14  ILE  QG2       2.8   (#  1455:20 Unique)
 &rst
  ixpk= 1455, nxpk= 20, iat= 192,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 196, 197, 198,
 &end
#
#    46  GLY  HA-    14  ILE  QG2       5.5   (#  1456:20 Unique)
 &rst
  ixpk= 1456, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 686, 687,
 igr2= 196, 197, 198,
 &end
#
#    14  ILE  HB     14  ILE  QG2       3.5   (#  1457:20 Unique)
 &rst
  ixpk= 1457, nxpk= 20, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 196, 197, 198,
 &end
#
#    14  ILE  HG1-   14  ILE  QG2       3.5   (#  1458:20 Unique)
 &rst
  ixpk= 1458, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 200, 201,
 igr2= 196, 197, 198,
 &end
#
#    79  ILE  QD1    14  ILE  QG2       2.8   (#  1459:20 Unique)
 &rst
  ixpk= 1459, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1180,1181,1182,
 igr2= 196, 197, 198,
 &end
#
#    13  ASP  HN     14  ILE  QG2       4.5   (#  1460:20 Unique)
 &rst
  ixpk= 1460, nxpk= 20, iat= 178,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 196, 197, 198,
 &end
#
#    47  TYR  HD     14  ILE  QG2       5.5   (#  1461:20 Unique)
 &rst
  ixpk= 1461, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 699, 708,
 igr2= 196, 197, 198,
 &end
#
#     0  AMB  20-2:1462  25  ILE  QG2       5.5   (#  1462:20 Single)
 &rst
  ixpk= 1462, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
 igr1=1096,1097,1081,1082, 334,
 igr2= 371, 372, 373,
 &end
#
#    26  ARG  HN     25  ILE  QG2       3.5   (#  1463:20 Unique)
 &rst
  ixpk= 1463, nxpk= 20, iat= 384,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 371, 372, 373,
 &end
#
#    25  ILE  HN     25  ILE  QG2       4.5   (#  1464:20 Unique)
 &rst
  ixpk= 1464, nxpk= 20, iat= 365,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 371, 372, 373,
 &end
#
#    72  GLU  HN     25  ILE  QG2       3.5   (#  1465:20 Unique)
 &rst
  ixpk= 1465, nxpk= 20, iat=1077,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 371, 372, 373,
 &end
#
#    57  TYR  HE     25  ILE  QG2       3.5   (#  1466:20 Unique)
 &rst
  ixpk= 1466, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 872, 877,
 igr2= 371, 372, 373,
 &end
#
#    25  ILE  HA     25  ILE  QG2       2.8   (#  1467:20 Unique)
 &rst
  ixpk= 1467, nxpk= 20, iat= 367,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 371, 372, 373,
 &end
#
#    71  CYS  HB2    25  ILE  QG2       3.5   (#  1468:20 Unique)
 &rst
  ixpk= 1468, nxpk= 20, iat=1070,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 371, 372, 373,
 &end
#
#    71  CYS  HB3    25  ILE  QG2       3.5   (#  1469:20 Unique)
 &rst
  ixpk= 1469, nxpk= 20, iat=1071,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 371, 372, 373,
 &end
#
#    26  ARG  HB2    25  ILE  QG2       5.5   (#  1470:20 Unique)
 &rst
  ixpk= 1470, nxpk= 20, iat= 388,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 371, 372, 373,
 &end
#
#     0  AMB  20-2:1471  25  ILE  QG2       2.8   (#  1471:20 Single)
 &rst
  ixpk= 1471, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 369, 375, 376,
 igr2= 371, 372, 373,
 &end
#
#    57  TYR  HD     25  ILE  QG2       4.5   (#  1472:20 Unique)
 &rst
  ixpk= 1472, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 870, 879,
 igr2= 371, 372, 373,
 &end
#
#    27  VAL  HB     25  ILE  QG2       5.5   (#  1473:20 Unique)
 &rst
  ixpk= 1473, nxpk= 20, iat= 412,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 371, 372, 373,
 &end
#
#    73  CYS  HA     25  ILE  QG2       4.5   (#  1474:20 Unique)
 &rst
  ixpk= 1474, nxpk= 20, iat=1094,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 371, 372, 373,
 &end
#
#     9  ILE  HN      9  ILE  QG2       4.5   (#  1475:20 Unique)
 &rst
  ixpk= 1475, nxpk= 20, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 123, 124, 125,
 &end
#
#    10  PRO  HD-     9  ILE  QG2       4.5   (#  1477:20 Unique)
 &rst
  ixpk= 1477, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 137, 138,
 igr2= 123, 124, 125,
 &end
#
#    10  PRO  HD+     9  ILE  QG2       4.5   (#  1478:20 Unique)
 &rst
  ixpk= 1478, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 137, 138,
 igr2= 123, 124, 125,
 &end
#
#    41  LYS  HE+     9  ILE  QG2       7.0   (#  1479:20 Unique)
 &rst
  ixpk= 1479, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 601, 602,
 igr2= 123, 124, 125,
 &end
#
#     9  ILE  HB      9  ILE  QG2       2.8   (#  1480:20 Unique)
 &rst
  ixpk= 1480, nxpk= 20, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 123, 124, 125,
 &end
#
#     9  ILE  HA      9  ILE  QG2       3.5   (#  1482:20 Unique)
 &rst
  ixpk= 1482, nxpk= 20, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 123, 124, 125,
 &end
#
#     9  ILE  HG1-    9  ILE  QG2       3.5   (#  1483:20 Unique)
 &rst
  ixpk= 1483, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 127, 128,
 igr2= 123, 124, 125,
 &end
#
#     9  ILE  QG2    10  PRO  HB+        5.5   (#  1484:20 Single)
 &rst
  ixpk= 1484, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 123, 124, 125,
 igr2= 143, 144,
 &end
#
#     0  AMB  20-2:1485   0  AMB  20-1:1485     3.5   (#  1485:20 Double)
 &rst
  ixpk= 1485, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 117,1550,
 igr2= 123, 124, 125,1556,1557,1558,
 &end
#
#   104  ILE  HA    104  ILE  QG2       2.8   (#  1486:20 Unique)
 &rst
  ixpk= 1486, nxpk= 20, iat=1552,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1556,1557,1558,
 &end
#
#   108  LYS  HE+   104  ILE  QG2       5.5   (#  1487:20 Unique)
 &rst
  ixpk= 1487, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1622,1623,
 igr2=1556,1557,1558,
 &end
#
#   108  LYS  HE-   104  ILE  QG2       3.5   (#  1488:20 Unique)
 &rst
  ixpk= 1488, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1622,1623,
 igr2=1556,1557,1558,
 &end
#
#     0  AMB  20-2:1489   0  AMB  20-1:1489     2.8   (#  1489:20 Double)
 &rst
  ixpk= 1489, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 974, 975, 976,1554, 617, 618,
 igr2= 123, 124, 125,1556,1557,1558,
 &end
#
#   108  LYS  HD-   104  ILE  QG2       4.5   (#  1490:20 Unique)
 &rst
  ixpk= 1490, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1619,1620,
 igr2=1556,1557,1558,
 &end
#
#     0  AMB  20-2:1491 104  ILE  QG2       3.5   (#  1491:20 Single)
 &rst
  ixpk= 1491, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1619,1620,1560,1561,
 igr2=1556,1557,1558,
 &end
#
#   105  SER  HN    104  ILE  QG2       4.5   (#  1492:20 Unique)
 &rst
  ixpk= 1492, nxpk= 20, iat=1569,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1556,1557,1558,
 &end
#
#     6  LEU  HA      9  ILE  QG2       5.5   (#  1495:20 Unique)
 &rst
  ixpk= 1495, nxpk= 20, iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 123, 124, 125,
 &end
#
#    57  TYR  HD     25  ILE  QD1       3.5   (#  1496:20 Unique)
 &rst
  ixpk= 1496, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 870, 879,
 igr2= 378, 379, 380,
 &end
#
#     0  AMB  20-2:1497  25  ILE  QD1       5.5   (#  1497:20 Single)
 &rst
  ixpk= 1497, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1094, 935,
 igr2= 378, 379, 380,
 &end
#
#    25  ILE  HN     25  ILE  QD1       5.5   (#  1498:20 Unique)
 &rst
  ixpk= 1498, nxpk= 20, iat= 365,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 378, 379, 380,
 &end
#
#    57  TYR  HE     25  ILE  QD1       4.5   (#  1499:20 Unique)
 &rst
  ixpk= 1499, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 872, 877,
 igr2= 378, 379, 380,
 &end
#
#    57  TYR  HA     25  ILE  QD1       3.5   (#  1501:20 Unique)
 &rst
  ixpk= 1501, nxpk= 20, iat= 864,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 378, 379, 380,
 &end
#
#    23  VAL  HB     25  ILE  QD1       4.5   (#  1502:20 Unique)
 &rst
  ixpk= 1502, nxpk= 20, iat= 334,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 378, 379, 380,
 &end
#
#     0  AMB  20-2:1503  25  ILE  QD1       2.8   (#  1503:20 Single)
 &rst
  ixpk= 1503, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 667, 668, 375, 376, 369,
 igr2= 378, 379, 380,
 &end
#
#    47  TYR  HD     56  ILE  QD1       5.5   (#  1504:20 Unique)
 &rst
  ixpk= 1504, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 699, 708,
 igr2= 856, 857, 858,
 &end
#
#    23  VAL  HN     56  ILE  QD1       5.5   (#  1505:20 Unique)
 &rst
  ixpk= 1505, nxpk= 20, iat= 330,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 856, 857, 858,
 &end
#
#    57  TYR  HN     56  ILE  QD1       7.0   (#  1506:20 Unique)
 &rst
  ixpk= 1506, nxpk= 20, iat= 862,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 856, 857, 858,
 &end
#
#    56  ILE  HN     56  ILE  QD1       5.5   (#  1507:20 Unique)
 &rst
  ixpk= 1507, nxpk= 20, iat= 843,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 856, 857, 858,
 &end
#
#    47  TYR  HN     56  ILE  QD1       3.5   (#  1508:20 Unique)
 &rst
  ixpk= 1508, nxpk= 20, iat= 691,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 856, 857, 858,
 &end
#
#    22  TYR  HA     56  ILE  QD1       3.5   (#  1509:20 Unique)
 &rst
  ixpk= 1509, nxpk= 20, iat= 311,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 856, 857, 858,
 &end
#
#    46  GLY  HA+    56  ILE  QD1       3.5   (#  1510:20 Unique)
 &rst
  ixpk= 1510, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 686, 687,
 igr2= 856, 857, 858,
 &end
#
#     0  AMB  20-2:1511  56  ILE  QD1       3.5   (#  1511:20 Single)
 &rst
  ixpk= 1511, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 847, 334,
 igr2= 856, 857, 858,
 &end
#
#     0  AMB  20-2:1512  56  ILE  QD1       5.5   (#  1512:20 Single)
 &rst
  ixpk= 1512, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 808, 809, 313, 314, 271, 272,
 igr2= 856, 857, 858,
 &end
#
#     9  ILE  QD1    10  PRO  HD-        7.0   (#  1513:20 Single)
 &rst
  ixpk= 1513, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 130, 131, 132,
 igr2= 137, 138,
 &end
#
#     9  ILE  QD1     6  LEU  HG         4.5   (#  1514:20 Single)
 &rst
  ixpk= 1514, nxpk= 20, iat=  -1,  76, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 130, 131, 132,
 &end
#
#     0  AMB  20-2:1515   0  AMB  20-1:1515     3.5   (#  1515:20 Double)
 &rst
  ixpk= 1515, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 117,  98, 831,
 igr2= 130, 131, 132, 856, 857, 858,
 &end
#
#     0  AMB  20-2:1516   9  ILE  QD1       4.5   (#  1516:20 Single)
 &rst
  ixpk= 1516, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 119,  49,
 igr2= 130, 131, 132,
 &end
#
#     6  LEU  HA      9  ILE  QD1       3.5   (#  1517:20 Unique)
 &rst
  ixpk= 1517, nxpk= 20, iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 130, 131, 132,
 &end
#
#     0  AMB  20-2:1518   9  ILE  QD1       5.5   (#  1518:20 Single)
 &rst
  ixpk= 1518, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1024,1026,1027,1047,
 igr2= 130, 131, 132,
 &end
#
#     9  ILE  HB      9  ILE  QD1       2.8   (#  1519:20 Unique)
 &rst
  ixpk= 1519, nxpk= 20, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 130, 131, 132,
 &end
#
#     9  ILE  HG1-    9  ILE  QD1       2.8   (#  1520:20 Unique)
 &rst
  ixpk= 1520, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 127, 128,
 igr2= 130, 131, 132,
 &end
#
#     9  ILE  QD1    41  LYS  HE+        5.5   (#  1521:20 Single)
 &rst
  ixpk= 1521, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 130, 131, 132,
 igr2= 601, 602,
 &end
#
#     9  ILE  QD1     6  LEU  HG         4.5   (#  1522:20 Single)
 &rst
  ixpk= 1522, nxpk= 20, iat=  -1,  76, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 130, 131, 132,
 &end
#
#    64  MET  ME      9  ILE  QD1       3.5   (#  1523:20 Unique)
 &rst
  ixpk= 1523, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 974, 975, 976,
 igr2= 130, 131, 132,
 &end
#
#   106  THR  HA    109  ILE  QD1       3.5   (#  1524:20 Unique)
 &rst
  ixpk= 1524, nxpk= 20, iat=1582,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1644,1645,1646,
 &end
#
#   109  ILE  HN    109  ILE  QD1       4.5   (#  1525:20 Unique)
 &rst
  ixpk= 1525, nxpk= 20, iat=1631,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1644,1645,1646,
 &end
#
#   109  ILE  HG1+  109  ILE  QD1       3.5   (#  1526:20 Unique)
 &rst
  ixpk= 1526, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1641,1642,
 igr2=1644,1645,1646,
 &end
#
#   109  ILE  HB    109  ILE  QD1       3.5   (#  1527:20 Unique)
 &rst
  ixpk= 1527, nxpk= 20, iat=1635,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1644,1645,1646,
 &end
#
#    14  ILE  HG1-   14  ILE  QD1       4.5   (#  1528:20 Unique)
 &rst
  ixpk= 1528, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 200, 201,
 igr2= 203, 204, 205,
 &end
#
#    22  TYR  HB+    79  ILE  QD1       4.5   (#  1529:20 Unique)
 &rst
  ixpk= 1529, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 313, 314,
 igr2=1180,1181,1182,
 &end
#
#    22  TYR  HB-    79  ILE  QD1       4.5   (#  1530:20 Unique)
 &rst
  ixpk= 1530, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 313, 314,
 igr2=1180,1181,1182,
 &end
#
#    79  ILE  HG1-   79  ILE  QD1       3.5   (#  1531:20 Unique)
 &rst
  ixpk= 1531, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1177,1178,
 igr2=1180,1181,1182,
 &end
#
#    46  GLY  HA+    79  ILE  QD1       5.5   (#  1532:20 Unique)
 &rst
  ixpk= 1532, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 686, 687,
 igr2=1180,1181,1182,
 &end
#
#     0  AMB  20-2:1533  79  ILE  QD1       4.5   (#  1533:20 Single)
 &rst
  ixpk= 1533, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 200, 201, 168, 169, 170, 172, 173, 174,
 igr2=1180,1181,1182,
 &end
#
#     0  AMB  20-2:1534  79  ILE  QD1       2.8   (#  1534:20 Single)
 &rst
  ixpk= 1534, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 196, 197, 198,1357,1358,1359,1361,1362,1363,
 igr2=1180,1181,1182,
 &end
#
#    45  ARG  HE     43  ILE  QD1       5.5   (#  1535:20 Unique)
 &rst
  ixpk= 1535, nxpk= 20, iat= 673,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 638, 639, 640,
 &end
#
#     0  AMB  20-2:1536  43  ILE  QD1       3.5   (#  1536:20 Single)
 &rst
  ixpk= 1536, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 629, 974, 975, 976,
 igr2= 638, 639, 640,
 &end
#
#    43  ILE  HG1+   43  ILE  QD1       3.5   (#  1537:20 Unique)
 &rst
  ixpk= 1537, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 635, 636,
 igr2= 638, 639, 640,
 &end
#
#    27  VAL  HB     43  ILE  QD1       5.5   (#  1538:20 Unique)
 &rst
  ixpk= 1538, nxpk= 20, iat= 412,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 638, 639, 640,
 &end
#
#     0  AMB  20-2:1539  43  ILE  QD1       5.5   (#  1539:20 Single)
 &rst
  ixpk= 1539, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 627, 662,
 igr2= 638, 639, 640,
 &end
#
#     0  AMB  20-2:1540  43  ILE  QD1       3.5   (#  1540:20 Single)
 &rst
  ixpk= 1540, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 667, 668, 369,
 igr2= 638, 639, 640,
 &end
#
#    43  ILE  HG1-   43  ILE  QD1       3.5   (#  1541:20 Unique)
 &rst
  ixpk= 1541, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 635, 636,
 igr2= 638, 639, 640,
 &end
#
#   104  ILE  HA    104  ILE  QD1       4.5   (#  1542:20 Unique)
 &rst
  ixpk= 1542, nxpk= 20, iat=1552,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1563,1564,1565,
 &end
#
#     0  AMB  20-2:1543 104  ILE  QD1       4.5   (#  1543:20 Single)
 &rst
  ixpk= 1543, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 614, 615, 350, 351,1619,1620,
 igr2=1563,1564,1565,
 &end
#
#   104  ILE  HG1-  104  ILE  QD1       2.8   (#  1544:20 Unique)
 &rst
  ixpk= 1544, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1560,1561,
 igr2=1563,1564,1565,
 &end
#
#     0  AMB  20-2:1545 104  ILE  QD1       3.5   (#  1545:20 Single)
 &rst
  ixpk= 1545, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1518,1519,1550,
 igr2=1563,1564,1565,
 &end
#
#     0  AMB  20-2:1546 104  ILE  QD1       5.5   (#  1546:20 Single)
 &rst
  ixpk= 1546, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1508,1525,
 igr2=1563,1564,1565,
 &end
#
#     0  AMB  20-2:1547 104  ILE  QD1       3.5   (#  1547:20 Single)
 &rst
  ixpk= 1547, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1513,1514,1513,1514,
 igr2=1563,1564,1565,
 &end
#
#     0  AMB  20-2:1548 104  ILE  QD1       2.8   (#  1548:20 Single)
 &rst
  ixpk= 1548, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1510,1511,1554,
 igr2=1563,1564,1565,
 &end
#
#   101  GLN  HB-   104  ILE  QD1       3.5   (#  1549:20 Unique)
 &rst
  ixpk= 1549, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1510,1511,
 igr2=1563,1564,1565,
 &end
#
#   105  SER  HN    104  ILE  QD1       5.5   (#  1550:20 Unique)
 &rst
  ixpk= 1550, nxpk= 20, iat=1569,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1563,1564,1565,
 &end
#
#   119  THR  HN    118  VAL  HA        2.8   (#  1551:20 Unique)
 &rst
  ixpk= 1551, nxpk= 20, iat=1803,1789, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   118  VAL  HN    118  VAL  HA        4.5   (#  1552:20 Unique)
 &rst
  ixpk= 1552, nxpk= 20, iat=1787,1789, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   118  VAL  HB    118  VAL  HA        4.5   (#  1553:20 Unique)
 &rst
  ixpk= 1553, nxpk= 20, iat=1791,1789, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   118  VAL  MGY   118  VAL  HA        2.8   (#  1554:20 Unique)
 &rst
  ixpk= 1554, nxpk= 20, iat=  -1,1789, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1793,1794,1795,1797,1798,1799,
 &end
#
#    43  ILE  QG2    43  ILE  HA        2.8   (#  1555:20 Unique)
 &rst
  ixpk= 1555, nxpk= 20, iat=  -1, 627, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 631, 632, 633,
 &end
#
#    44  VAL  HN     43  ILE  HA        2.8   (#  1556:20 Unique)
 &rst
  ixpk= 1556, nxpk= 20, iat= 644, 627, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    11  ASP  HA     43  ILE  HA        4.5   (#  1557:20 Unique)
 &rst
  ixpk= 1557, nxpk= 20, iat= 152, 627, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    44  VAL  MGY    43  ILE  HA        5.5   (#  1558:20 Unique)
 &rst
  ixpk= 1558, nxpk= 20, iat=  -1, 627, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 650, 651, 652, 654, 655, 656,
 &end
#
#    43  ILE  HN     43  ILE  HA        4.5   (#  1559:20 Unique)
 &rst
  ixpk= 1559, nxpk= 20, iat= 625, 627, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    72  GLU  HN     71  CYS  HA        2.8   (#  1560:20 Unique)
 &rst
  ixpk= 1560, nxpk= 20, iat=1077,1068, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    71  CYS  HN     71  CYS  HA        4.5   (#  1561:20 Unique)
 &rst
  ixpk= 1561, nxpk= 20, iat=1066,1068, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    27  VAL  HA     71  CYS  HA        2.8   (#  1562:20 Unique)
 &rst
  ixpk= 1562, nxpk= 20, iat= 410,1068, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    71  CYS  HB2    71  CYS  HA        3.5   (#  1563:20 Unique)
 &rst
  ixpk= 1563, nxpk= 20, iat=1070,1068, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    71  CYS  HB3    71  CYS  HA        3.5   (#  1564:20 Unique)
 &rst
  ixpk= 1564, nxpk= 20, iat=1071,1068, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  20-2:1565  71  CYS  HA        3.5   (#  1565:20 Single)
 &rst
  ixpk= 1565, nxpk= 20, iat=  -1,1068, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 414, 415, 416, 418, 419, 420, 371, 372, 373,
 &end
#
#    14  ILE  HN     14  ILE  HA        5.5   (#  1566:20 Unique)
 &rst
  ixpk= 1566, nxpk= 20, iat= 190, 192, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    46  GLY  HN     14  ILE  HA        4.5   (#  1567:20 Unique)
 &rst
  ixpk= 1567, nxpk= 20, iat= 684, 192, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    14  ILE  HA     14  ILE  HB         4.5   (#  1568:20 Unique)
 &rst
  ixpk= 1568, nxpk= 20, iat= 192, 194, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     0  AMB  20-2:1569   0  AMB  20-1:1569     2.8   (#  1569:20 Double)
 &rst
  ixpk= 1569, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=  78,  79,  80,  82,  83,  84, 196, 197, 198,
 igr2= 579, 192,
 &end
#
#     0  AMB  20-2:1570   0  AMB  20-1:1570     3.5   (#  1570:20 Double)
 &rst
  ixpk= 1570, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 200, 201, 595, 596, 414, 415, 416, 418, 419, 420,
       391, 392,
 igr2= 192, 579,
 &end
#
#    41  LYS  HN     40  SER  HA        2.8   (#  1571:20 Unique)
 &rst
  ixpk= 1571, nxpk= 20, iat= 588, 579, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    40  SER  HA     40  SER  HN         4.5   (#  1572:20 Unique)
 &rst
  ixpk= 1572, nxpk= 20, iat= 579, 577, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    40  SER  HB3    40  SER  HA        3.5   (#  1573:20 Unique)
 &rst
  ixpk= 1573, nxpk= 20, iat= 582, 579, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    40  SER  HB2    40  SER  HA        3.5   (#  1574:20 Unique)
 &rst
  ixpk= 1574, nxpk= 20, iat= 581, 579, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    29  SER  HN     40  SER  HA        5.5   (#  1575:20 Unique)
 &rst
  ixpk= 1575, nxpk= 20, iat= 441, 579, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    91  TYR  HN     91  TYR  HA        4.5   (#  1577:20 Unique)
 &rst
  ixpk= 1577, nxpk= 20, iat=1367,1369, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    91  TYR  HB+    91  TYR  HA        4.5   (#  1578:20 Unique)
 &rst
  ixpk= 1578, nxpk= 20, iat=  -1,1369, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1371,1372,
 &end
#
#    91  TYR  HB-    91  TYR  HA        4.5   (#  1579:20 Unique)
 &rst
  ixpk= 1579, nxpk= 20, iat=  -1,1369, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1371,1372,
 &end
#
#    27  VAL  HN     42  GLU  HA        4.5   (#  1580:20 Unique)
 &rst
  ixpk= 1580, nxpk= 20, iat= 408, 612, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    42  GLU  HB-    42  GLU  HA        3.5   (#  1581:20 Unique)
 &rst
  ixpk= 1581, nxpk= 20, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 614, 615,
 &end
#
#    43  ILE  HN     42  GLU  HA        2.8   (#  1582:20 Unique)
 &rst
  ixpk= 1582, nxpk= 20, iat= 625, 612, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     0  AMB  20-2:1583  42  GLU  HA        3.5   (#  1583:20 Single)
 &rst
  ixpk= 1583, nxpk= 20, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 617, 618, 614, 615,
 &end
#
#    42  GLU  HA     24  LEU  MDY        4.5   (#  1584:20 Single)
 &rst
  ixpk= 1584, nxpk= 20, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 355, 356, 357, 359, 360, 361,
 &end
#
#     0  AMB  20-2:1585  42  GLU  HA        4.5   (#  1585:20 Single)
 &rst
  ixpk= 1585, nxpk= 20, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 631, 632, 633, 355, 356, 357, 359, 360, 361,1112,
      1113,1114,1116,1117,1118,
 &end
#
#    42  GLU  HN     42  GLU  HA        3.5   (#  1586:20 Unique)
 &rst
  ixpk= 1586, nxpk= 20, iat= 610, 612, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    42  GLU  HG+    42  GLU  HA        4.5   (#  1587:20 Unique)
 &rst
  ixpk= 1587, nxpk= 20, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 617, 618,
 &end
#
#    42  GLU  HA     26  ARG  HG+        5.5   (#  1588:20 Single)
 &rst
  ixpk= 1588, nxpk= 20, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 391, 392,
 &end
#
#    90  VAL  HN    120  TRP  HA        4.5   (#  1589:20 Unique)
 &rst
  ixpk= 1589, nxpk= 20, iat=1351,1819, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    88  ILE  HN     87  LYS  HA        4.5   (#  1590:20 Unique)
 &rst
  ixpk= 1590, nxpk= 20, iat=1315,1295, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   121  ALA  HN    120  TRP  HA        3.5   (#  1591:20 Unique)
 &rst
  ixpk= 1591, nxpk= 20, iat=1841,1819, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   120  TRP  HB+   120  TRP  HA        2.8   (#  1592:20 Unique)
 &rst
  ixpk= 1592, nxpk= 20, iat=  -1,1819, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1821,1822,
 &end
#
#    90  VAL  HB    120  TRP  HA        3.5   (#  1593:20 Unique)
 &rst
  ixpk= 1593, nxpk= 20, iat=1355,1819, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    22  TYR  HB+    22  TYR  HA        3.5   (#  1594:20 Unique)
 &rst
  ixpk= 1594, nxpk= 20, iat=  -1, 311, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 313, 314,
 &end
#
#    46  GLY  HA+    22  TYR  HA        3.5   (#  1595:20 Unique)
 &rst
  ixpk= 1595, nxpk= 20, iat=  -1, 311, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 686, 687,
 &end
#
#     0  AMB  20-2:1596  22  TYR  HA        3.5   (#  1596:20 Single)
 &rst
  ixpk= 1596, nxpk= 20, iat=  -1, 311, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 856, 857, 858, 336, 337, 338, 340, 341, 342, 336,
       337, 338, 340, 341, 342,
 &end
#
#    23  VAL  HN     22  TYR  HA        3.5   (#  1597:20 Unique)
 &rst
  ixpk= 1597, nxpk= 20, iat= 330, 311, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    89  HIS  HB+    89  HIS  HA        3.5   (#  1598:20 Unique)
 &rst
  ixpk= 1598, nxpk= 20, iat=  -1,1336, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1338,1339,
 &end
#
#    90  VAL  HN     89  HIS  HA        2.8   (#  1599:20 Unique)
 &rst
  ixpk= 1599, nxpk= 20, iat=1351,1336, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    89  HIS  HB-    89  HIS  HA        4.5   (#  1600:20 Unique)
 &rst
  ixpk= 1600, nxpk= 20, iat=  -1,1336, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1338,1339,
 &end
#
#   122  ASN  HB+   122  ASN  HA        3.5   (#  1601:20 Unique)
 &rst
  ixpk= 1601, nxpk= 20, iat=  -1,1853, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1855,1856,
 &end
#
#   122  ASN  HB-   122  ASN  HA        3.5   (#  1602:20 Unique)
 &rst
  ixpk= 1602, nxpk= 20, iat=  -1,1853, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1855,1856,
 &end
#
#   122  ASN  HN    122  ASN  HA        5.5   (#  1603:20 Unique)
 &rst
  ixpk= 1603, nxpk= 20, iat=1851,1853, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   123  ASP  HN    122  ASN  HA        4.5   (#  1604:20 Unique)
 &rst
  ixpk= 1604, nxpk= 20, iat=1865,1853, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   120  TRP  HE3   122  ASN  HA        4.5   (#  1605:20 Unique)
 &rst
  ixpk= 1605, nxpk= 20, iat=1836,1853, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    45  ARG  HD+    45  ARG  HA        5.5   (#  1606:20 Unique)
 &rst
  ixpk= 1606, nxpk= 20, iat=  -1, 662, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 670, 671,
 &end
#
#    45  ARG  HD-    45  ARG  HA        4.5   (#  1607:20 Unique)
 &rst
  ixpk= 1607, nxpk= 20, iat=  -1, 662, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 670, 671,
 &end
#
#    14  ILE  QG2    45  ARG  HA        5.5   (#  1608:20 Unique)
 &rst
  ixpk= 1608, nxpk= 20, iat=  -1, 662, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 196, 197, 198,
 &end
#
#    46  GLY  HN     45  ARG  HA        3.5   (#  1609:20 Unique)
 &rst
  ixpk= 1609, nxpk= 20, iat= 684, 662, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    45  ARG  HB3    45  ARG  HA        4.5   (#  1610:20 Unique)
 &rst
  ixpk= 1610, nxpk= 20, iat= 665, 662, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    98  GLY  HA+    99  PRO  HD-       3.5   (#  1611:20 Unique)
 &rst
  ixpk= 1611, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1477,1478,
 igr2=1483,1484,
 &end
#
#    99  PRO  HG+    99  PRO  HD-       4.5   (#  1612:20 Unique)
 &rst
  ixpk= 1612, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1486,1487,
 igr2=1483,1484,
 &end
#
#     0  AMB  20-2:1613  99  PRO  HD-       3.5   (#  1613:20 Single)
 &rst
  ixpk= 1613, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1486,1487,1489,1490,
 igr2=1483,1484,
 &end
#
#   104  ILE  HG1-  101  GLN  HG+       4.5   (#  1614:20 Unique)
 &rst
  ixpk= 1614, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1560,1561,
 igr2=1513,1514,
 &end
#
#   100  ALA  HA     24  LEU  MDX       7.0   (#  1615:20 Unique)
 &rst
  ixpk= 1615, nxpk= 20, iat=1498,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2= 355, 356, 357, 359, 360, 361,
 &end
#
#    97  TYR  HE     96  ALA  MB        5.5   (#  1616:20 Unique)
 &rst
  ixpk= 1616, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1464,1469,
 igr2=1448,1449,1450,
 &end
#
#    12  VAL  MGY   109  ILE  HG1-      5.5   (#  1618:20 Unique)
 &rst
  ixpk= 1618, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 168, 169, 170, 172, 173, 174,
 igr2=1641,1642,
 &end
#
#   109  ILE  QD1   109  ILE  HG1-      3.5   (#  1619:20 Unique)
 &rst
  ixpk= 1619, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1644,1645,1646,
 igr2=1641,1642,
 &end
#
#     0  AMB  20-2:1620 109  ILE  HG1-      4.5   (#  1620:20 Single)
 &rst
  ixpk= 1620, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 168, 169, 170, 172, 173, 174,1637,1638,1639, 650,
       651, 652, 654, 655, 656,
 igr2=1641,1642,
 &end
#
#    90  VAL  MGX   105  SER  HB2       4.5   (#  1623:20 Unique)
 &rst
  ixpk= 1623, nxpk= 20, iat=  -1,1573, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1357,1358,1359,1361,1362,1363,
 &end
#
#    53  HIS  HA     53  HIS  HB-       4.5   (#  1626:20 Unique)
 &rst
  ixpk= 1626, nxpk= 20, iat= 806,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 808, 809,
 &end
#
#    89  HIS  HA     89  HIS  HB-       5.5   (#  1628:20 Unique)
 &rst
  ixpk= 1628, nxpk= 20, iat=1336,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1338,1339,
 &end
#
#    80  SER  HB+    89  HIS  HB-       5.5   (#  1630:20 Unique)
 &rst
  ixpk= 1630, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1190,1191,
 igr2=1338,1339,
 &end
#
#    80  SER  HB-    89  HIS  HB+       7.0   (#  1631:20 Unique)
 &rst
  ixpk= 1631, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1190,1191,
 igr2=1338,1339,
 &end
#
#    64  MET  HB2    64  MET  HG+       4.5   (#  1637:20 Unique)
 &rst
  ixpk= 1637, nxpk= 20, iat= 967,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 970, 971,
 &end
#
#    46  GLY  HA+    22  TYR  HB-       5.5   (#  1640:20 Unique)
 &rst
  ixpk= 1640, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 686, 687,
 igr2= 313, 314,
 &end
#
#     0  AMB  20-2:1642  24  LEU  HB-       5.5   (#  1642:20 Single)
 &rst
  ixpk= 1642, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 353,1107,
 igr2= 350, 351,
 &end
#
#     0  AMB  20-2:1643  24  LEU  HB-       2.8   (#  1643:20 Single)
 &rst
  ixpk= 1643, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=1500,1501,1502, 355, 356, 357, 359, 360, 361,
 igr2= 350, 351,
 &end
#
#     0  AMB  20-2:1644   0  AMB  20-1:1644     4.5   (#  1644:20 Double)
 &rst
  ixpk= 1644, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 353,1107,
 igr2= 350, 351, 350, 351,
 &end
#
#   109  ILE  HG1+  109  ILE  HB        3.5   (#  1647:20 Unique)
 &rst
  ixpk= 1647, nxpk= 20, iat=  -1,1635, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1641,1642,
 &end
#
#     0  AMB  20-2:1650   0  AMB  20-1:1650     3.5   (#  1650:20 Double)
 &rst
  ixpk= 1650, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 791, 800, 831,
 igr2= 787, 788, 787, 788,
 &end
#
#    52  TYR  HN     52  TYR  HB+       5.5   (#  1651:20 Unique)
 &rst
  ixpk= 1651, nxpk= 20, iat= 783,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 787, 788,
 &end
#
#    54  ALA  HN     52  TYR  HB+       5.5   (#  1652:20 Unique)
 &rst
  ixpk= 1652, nxpk= 20, iat= 821,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 787, 788,
 &end
#
#     0  AMB  20-2:1653  43  ILE  HG1-      4.5   (#  1653:20 Single)
 &rst
  ixpk= 1653, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 369, 667, 668,
 igr2= 635, 636,
 &end
#
#     0  AMB  20-2:1654   0  AMB  20-1:1654     4.5   (#  1654:20 Double)
 &rst
  ixpk= 1654, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 369, 667, 668,
 igr2= 635, 636, 635, 636,
 &end
#
#    27  VAL  MGY    43  ILE  HG1+      3.5   (#  1655:20 Unique)
 &rst
  ixpk= 1655, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 414, 415, 416, 418, 419, 420,
 igr2= 635, 636,
 &end
#
#     0  AMB  20-2:1656  43  ILE  HG1-      3.5   (#  1656:20 Single)
 &rst
  ixpk= 1656, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 414, 415, 416, 418, 419, 420, 378, 379, 380,
 igr2= 635, 636,
 &end
#
#     0  AMB  20-2:1659 106  THR  HB        4.5   (#  1659:20 Single)
 &rst
  ixpk= 1659, nxpk= 20, iat=  -1,1584, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1663,1664,1663,1664,
 &end
#
#   106  THR  HA    106  THR  HB        4.5   (#  1660:20 Unique)
 &rst
  ixpk= 1660, nxpk= 20, iat=1582,1584, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   109  ILE  QD1   105  SER  HB3       5.5   (#  1663:20 Unique)
 &rst
  ixpk= 1663, nxpk= 20, iat=  -1,1574, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1644,1645,1646,
 &end
#
#   100  ALA  MB     76  GLY  HA-       5.5   (#  1665:20 Unique)
 &rst
  ixpk= 1665, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1500,1501,1502,
 igr2=1131,1132,
 &end
#
#    23  VAL  HN     22  TYR  HB+       5.5   (#  1666:20 Unique)
 &rst
  ixpk= 1666, nxpk= 20, iat= 330,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 313, 314,
 &end
#
#    78  ARG  HA     21  LYS  HA        4.5   (#  1667:20 Unique)
 &rst
  ixpk= 1667, nxpk= 20, iat=1145, 289, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    78  ARG  HG-    21  LYS  HA        5.5   (#  1668:20 Unique)
 &rst
  ixpk= 1668, nxpk= 20, iat=  -1, 289, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1150,1151,
 &end
#
#    79  ILE  QD1    79  ILE  HG1+      3.5   (#  1669:20 Unique)
 &rst
  ixpk= 1669, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1180,1181,1182,
 igr2=1177,1178,
 &end
#
#     0  AMB  20-2:1670   0  AMB  20-1:1670     4.5   (#  1670:20 Double)
 &rst
  ixpk= 1670, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
 igr1=1357,1358,1359,1361,1362,1363,1171,
 igr2=1177,1178,1177,1178,
 &end
#
#    90  VAL  MGY    79  ILE  HG1+      4.5   (#  1671:20 Unique)
 &rst
  ixpk= 1671, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1357,1358,1359,1361,1362,1363,
 igr2=1177,1178,
 &end
#
#     0  AMB  20-2:1672  79  ILE  HB        3.5   (#  1672:20 Single)
 &rst
  ixpk= 1672, nxpk= 20, iat=  -1,1171, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1=1173,1174,1175,1177,1178,
 &end
#
#    79  ILE  QD1    79  ILE  HB        4.5   (#  1673:20 Unique)
 &rst
  ixpk= 1673, nxpk= 20, iat=  -1,1171, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1180,1181,1182,
 &end
#
#     0  AMB  20-2:1674  45  ARG  HG-       5.5   (#  1674:20 Single)
 &rst
  ixpk= 1674, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 923, 924, 925, 927, 928, 929, 849, 850, 851,
 igr2= 667, 668,
 &end
#
#   100  ALA  HA     75  GLY  HA+       4.5   (#  1677:20 Unique)
 &rst
  ixpk= 1677, nxpk= 20, iat=1498,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1124,1125,
 &end
#
#     0  AMB  20-2:1679   0  AMB  20-1:1679     5.5   (#  1679:20 Double)
 &rst
  ixpk= 1679, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.76, r4=11.26,
 igr1= 598, 599,1686,1687,1614,1616,1617,
 igr2= 154, 155, 154, 155, 154, 155, 154, 155,
 &end
#
#     9  ILE  HA     10  PRO  HD-       2.8   (#  1681:20 Unique)
 &rst
  ixpk= 1681, nxpk= 20, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 137, 138,
 &end
#
#     0  AMB  20-2:1682  10  PRO  HD-       5.5   (#  1682:20 Single)
 &rst
  ixpk= 1682, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 117,  98,
 igr2= 137, 138,
 &end
#
#     0  AMB  20-2:1683   0  AMB  20-1:1683     2.8   (#  1683:20 Double)
 &rst
  ixpk= 1683, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 762, 763, 764, 856, 857, 858,
 igr2= 853, 854, 853, 854,
 &end
#
#     0  AMB  20-2:1687   0  AMB  20-1:1687     2.8   (#  1687:20 Double)
 &rst
  ixpk= 1687, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 336, 337, 338, 340, 341, 342, 336, 337, 338, 340,
       341, 342, 378, 379, 380,
 igr2= 375, 376, 375, 376, 375, 376,
 &end
#
#    60  VAL  HN     60  VAL  HA        3.5   (#  1692:20 Unique)
 &rst
  ixpk= 1692, nxpk= 20, iat= 917, 919, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    62  GLY  HN     61  SER  HB+       5.5   (#  1696:20 Unique)
 &rst
  ixpk= 1696, nxpk= 20, iat= 944,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 937, 938,
 &end
#
#    62  GLY  HN     61  SER  HB-       5.5   (#  1697:20 Unique)
 &rst
  ixpk= 1697, nxpk= 20, iat= 944,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 937, 938,
 &end
#
#    75  GLY  HA+   100  ALA  HA        3.5   (#  1698:20 Unique)
 &rst
  ixpk= 1698, nxpk= 20, iat=  -1,1498, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1124,1125,
 &end
#
#   120  TRP  HD1   103  ALA  HA        5.5   (#  1699:20 Unique)
 &rst
  ixpk= 1699, nxpk= 20, iat=1825,1542, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    41  LYS  HA     41  LYS  HG+       7.0   (#  1700:20 Unique)
 &rst
  ixpk= 1700, nxpk= 20, iat= 590,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 595, 596,
 &end
#
#    74  LEU  HB-    74  LEU  MDX        2.8   (#  1703:20 Double)
 &rst
  ixpk= 1703, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1107,1108,
 igr2=1112,1113,1114,1116,1117,1118,
 &end
#
#     0  AMB  20-2:1704   0  AMB  20-1:1704     3.5   (#  1704:20 Double)
 &rst
  ixpk= 1704, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 598, 599,1110, 350, 351,
 igr2=  74,1107,
 &end
#
#    74  LEU  HG     74  LEU  HB3       3.5   (#  1708:20 Unique)
 &rst
  ixpk= 1708, nxpk= 20, iat=1110,1108, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    56  ILE  HG1-   56  ILE  HB        4.5   (#  1710:20 Unique)
 &rst
  ixpk= 1710, nxpk= 20, iat=  -1, 847, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 853, 854,
 &end
#
#     0  AMB  20-2:1714   0  AMB  20-1:1714     2.8   (#  1714:20 Double)
 &rst
  ixpk= 1714, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 520, 454,
 igr2= 529, 530, 463, 464,
 &end
#
#    36  PRO  HD-    36  PRO  HB+        4.5   (#  1715:20 Double)
 &rst
  ixpk= 1715, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 529, 530,
 igr2= 535, 536,
 &end
#
#    35  ALA  MB      0  AMB  20-1:1716     2.8   (#  1716:20 Single)
 &rst
  ixpk= 1716, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 522, 523, 524,
 igr2= 529, 530, 463, 464,
 &end
#
#    43  ILE  HB     43  ILE  HA        2.8   (#  1717:20 Unique)
 &rst
  ixpk= 1717, nxpk= 20, iat= 629, 627, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   106  THR  HN    105  SER  HA        5.5   (#  1718:20 Unique)
 &rst
  ixpk= 1718, nxpk= 20, iat=1580,1571, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   105  SER  HN    105  SER  HA        4.5   (#  1719:20 Unique)
 &rst
  ixpk= 1719, nxpk= 20, iat=1569,1571, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   108  LYS  HN    105  SER  HA        5.5   (#  1720:20 Unique)
 &rst
  ixpk= 1720, nxpk= 20, iat=1609,1571, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   105  SER  HB2   105  SER  HA        3.5   (#  1722:20 Unique)
 &rst
  ixpk= 1722, nxpk= 20, iat=1573,1571, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   105  SER  HB3   105  SER  HA        3.5   (#  1723:20 Unique)
 &rst
  ixpk= 1723, nxpk= 20, iat=1574,1571, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    44  VAL  MGY   105  SER  HA        2.8   (#  1724:20 Unique)
 &rst
  ixpk= 1724, nxpk= 20, iat=  -1,1571, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 650, 651, 652, 654, 655, 656,
 &end
#
#     0  AMB  20-2:1725 105  SER  HA        4.5   (#  1725:20 Single)
 &rst
  ixpk= 1725, nxpk= 20, iat=  -1,1571, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 355, 356, 357, 359, 360, 361, 168, 169, 170, 172,
       173, 174,
 &end
#
#    44  VAL  MGX   105  SER  HA        3.5   (#  1726:20 Unique)
 &rst
  ixpk= 1726, nxpk= 20, iat=  -1,1571, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 650, 651, 652, 654, 655, 656,
 &end
#
#    57  TYR  HE     71  CYS  HB2       4.5   (#  1730:20 Unique)
 &rst
  ixpk= 1730, nxpk= 20, iat=  -1,1070, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 872, 877,
 &end
#
#    99  PRO  HB+    99  PRO  HG+       3.5   (#  1732:20 Unique)
 &rst
  ixpk= 1732, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1489,1490,
 igr2=1486,1487,
 &end
#
#    99  PRO  HB+    99  PRO  HG-       5.5   (#  1735:20 Unique)
 &rst
  ixpk= 1735, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1489,1490,
 igr2=1486,1487,
 &end
#
#    98  GLY  HA-    99  PRO  HD+       3.5   (#  1738:20 Unique)
 &rst
  ixpk= 1738, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1477,1478,
 igr2=1483,1484,
 &end
#
#    98  GLY  HA-    99  PRO  HD-       4.5   (#  1739:20 Unique)
 &rst
  ixpk= 1739, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1477,1478,
 igr2=1483,1484,
 &end
#
#     0  AMB  20-2:1741  14  ILE  QD1       3.5   (#  1741:20 Single)
 &rst
  ixpk= 1741, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 200, 201, 168, 169, 170, 172, 173, 174,
 igr2= 203, 204, 205,
 &end
#
#   109  ILE  QG2    14  ILE  QD1       2.8   (#  1742:20 Unique)
 &rst
  ixpk= 1742, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1637,1638,1639,
 igr2= 203, 204, 205,
 &end
#
#     9  ILE  HG1+    9  ILE  QD1        2.8   (#  1743:20 Unique)
 &rst
  ixpk= 1743, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 127, 128,
 igr2= 130, 131, 132,
 &end
#
#     0  AMB  20-2:1746   0  AMB  20-1:1746     2.8   (#  1746:20 Double)
 &rst
  ixpk= 1746, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1563,1564,1565,1556,1557,1558,
 igr2=1560,1561,1560,1561,
 &end
#
#    64  MET  HB2    64  MET  HG-       3.5   (#  1747:20 Unique)
 &rst
  ixpk= 1747, nxpk= 20, iat= 967,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 970, 971,
 &end
#
#    28  HIS  HA     28  HIS  HB2       4.5   (#  1748:20 Unique)
 &rst
  ixpk= 1748, nxpk= 20, iat= 426, 428, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    26  ARG  HA     42  GLU  HA        3.5   (#  1751:20 Unique)
 &rst
  ixpk= 1751, nxpk= 20, iat= 386, 612, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   106  THR  HB    106  THR  HA        3.5   (#  1753:20 Unique)
 &rst
  ixpk= 1753, nxpk= 20, iat=1584,1582, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    36  PRO  HD-    36  PRO  HG-        3.5   (#  1755:20 Double)
 &rst
  ixpk= 1755, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 529, 530,
 igr2= 532, 533,
 &end
#
#     0  AMB  20-2:1757   0  AMB  20-1:1757     2.8   (#  1757:20 Double)
 &rst
  ixpk= 1757, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1081,1082, 140, 141,
 igr2= 389, 143, 144,
 &end
#
#    71  CYS  HN     70  ASP  HB-       4.5   (#  1758:20 Unique)
 &rst
  ixpk= 1758, nxpk= 20, iat=1066,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1058,1059,
 &end
#
#    28  HIS  HB2    70  ASP  HB-       4.5   (#  1760:20 Unique)
 &rst
  ixpk= 1760, nxpk= 20, iat= 428,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1058,1059,
 &end
#
#    28  HIS  HB3    70  ASP  HB-       5.5   (#  1761:20 Unique)
 &rst
  ixpk= 1761, nxpk= 20, iat= 429,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1058,1059,
 &end
#
#    28  HIS  HB3    70  ASP  HB+       5.5   (#  1762:20 Unique)
 &rst
  ixpk= 1762, nxpk= 20, iat= 429,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1058,1059,
 &end
#
#    28  HIS  HB2    70  ASP  HB+       3.5   (#  1763:20 Unique)
 &rst
  ixpk= 1763, nxpk= 20, iat= 428,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1058,1059,
 &end
#
#    42  GLU  HB-    42  GLU  HG+       2.8   (#  1764:20 Unique)
 &rst
  ixpk= 1764, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 614, 615,
 igr2= 617, 618,
 &end
#
#    42  GLU  HB-    42  GLU  HG-       2.8   (#  1767:20 Unique)
 &rst
  ixpk= 1767, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 614, 615,
 igr2= 617, 618,
 &end
#
#     0  AMB  20-2:1768  42  GLU  HG-       2.8   (#  1768:20 Single)
 &rst
  ixpk= 1768, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=1112,1113,1114,1116,1117,1118, 355, 356, 357, 359,
       360, 361,1556,1557,1558,
 igr2= 617, 618,
 &end
#
#     0  AMB  20-2:1773   0  AMB  20-1:1773     2.8   (#  1773:20 Double)
 &rst
  ixpk= 1773, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1=1112,1113,1114,1116,1117,1118,1147,1148, 355, 356,
       357, 359, 360, 361,
 igr2= 353,1150,1151,
 &end
#
#    28  HIS  HA     40  SER  HA        3.5   (#  1775:20 Unique)
 &rst
  ixpk= 1775, nxpk= 20, iat= 426, 579, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    44  VAL  HA     44  VAL  HB        5.5   (#  1779:20 Unique)
 &rst
  ixpk= 1779, nxpk= 20, iat= 646, 648, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    12  VAL  MGY    44  VAL  HB        5.5   (#  1780:20 Unique)
 &rst
  ixpk= 1780, nxpk= 20, iat=  -1, 648, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 168, 169, 170, 172, 173, 174,
 &end
#
#   101  GLN  HG+   101  GLN  HB+       2.8   (#  1781:20 Unique)
 &rst
  ixpk= 1781, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1513,1514,
 igr2=1510,1511,
 &end
#
#   101  GLN  HG+   101  GLN  HB-       2.8   (#  1782:20 Unique)
 &rst
  ixpk= 1782, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1513,1514,
 igr2=1510,1511,
 &end
#
#   104  ILE  HG1-  101  GLN  HB+       4.5   (#  1785:20 Unique)
 &rst
  ixpk= 1785, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1560,1561,
 igr2=1510,1511,
 &end
#
#   104  ILE  HG1-  101  GLN  HB-       4.5   (#  1786:20 Unique)
 &rst
  ixpk= 1786, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1560,1561,
 igr2=1510,1511,
 &end
#
#    87  LYS  HD-    87  LYS  HG-       3.5   (#  1792:20 Unique)
 &rst
  ixpk= 1792, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1303,1304,
 igr2=1300,1301,
 &end
#
#   109  ILE  QD1   109  ILE  QG2       3.5   (#  1798:20 Unique)
 &rst
  ixpk= 1798, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1644,1645,1646,
 igr2=1637,1638,1639,
 &end
#
#     0  AMB  20-2:1799 109  ILE  QG2       2.8   (#  1799:20 Single)
 &rst
  ixpk= 1799, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1793,1794,1795,1797,1798,1799, 168, 169, 170, 172,
       173, 174,
 igr2=1637,1638,1639,
 &end
#
#     0  AMB  20-2:1800  79  ILE  QD1       2.8   (#  1800:20 Single)
 &rst
  ixpk= 1800, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1=1173,1174,1175,1177,1178,
 igr2=1180,1181,1182,
 &end
#
#     0  AMB  20-2:1801  79  ILE  QD1       2.8   (#  1801:20 Single)
 &rst
  ixpk= 1801, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 203, 204, 205,1357,1358,1359,1361,1362,1363,
 igr2=1180,1181,1182,
 &end
#
#   107  GLU  HG+   107  GLU  HB+       2.8   (#  1803:20 Unique)
 &rst
  ixpk= 1803, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1601,1602,
 igr2=1598,1599,
 &end
#
#     8  LEU  HB-     8  LEU  MDY        2.8   (#  1804:20 Unique)
 &rst
  ixpk= 1804, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 102, 103,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#   110  LYS  HG+   110  LYS  HB-       3.5   (#  1805:20 Unique)
 &rst
  ixpk= 1805, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1657,1658,
 igr2=1654,1655,
 &end
#
#     0  AMB  20-2:1807 110  LYS  HB-       2.8   (#  1807:20 Single)
 &rst
  ixpk= 1807, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=1657,1658,1660,1661,
 igr2=1654,1655,
 &end
#
#   108  LYS  HB2   108  LYS  HG-       3.5   (#  1809:20 Unique)
 &rst
  ixpk= 1809, nxpk= 20, iat=1613,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1616,1617,
 &end
#
#     0  AMB  20-2:1811 101  GLN  HB-       5.5   (#  1811:20 Single)
 &rst
  ixpk= 1811, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1518,1519,1550,
 igr2=1510,1511,
 &end
#
#   102  HIS  HN    101  GLN  HB-       7.0   (#  1812:20 Unique)
 &rst
  ixpk= 1812, nxpk= 20, iat=1523,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1510,1511,
 &end
#
#    80  SER  HN     80  SER  HB-       4.5   (#  1814:20 Unique)
 &rst
  ixpk= 1814, nxpk= 20, iat=1186,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1190,1191,
 &end
#
#    29  SER  HB+    29  SER  HA        3.5   (#  1815:20 Unique)
 &rst
  ixpk= 1815, nxpk= 20, iat=  -1, 443, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 445, 446,
 &end
#
#     0  AMB  20-2:1816 109  ILE  QD1       3.5   (#  1816:20 Single)
 &rst
  ixpk= 1816, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1793,1794,1795,1797,1798,1799,1793,1794,1795,1797,
      1798,1799,
 igr2=1644,1645,1646,
 &end
#
#    79  ILE  QD1   109  ILE  QD1       3.5   (#  1817:20 Unique)
 &rst
  ixpk= 1817, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1180,1181,1182,
 igr2=1644,1645,1646,
 &end
#
#     0  AMB  20-2:1818  43  ILE  QD1       2.8   (#  1818:20 Single)
 &rst
  ixpk= 1818, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 631, 632, 633, 123, 124, 125,
 igr2= 638, 639, 640,
 &end
#
#     0  AMB  20-2:1819  43  ILE  QD1       2.8   (#  1819:20 Single)
 &rst
  ixpk= 1819, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 414, 415, 416, 418, 419, 420, 371, 372, 373,
 igr2= 638, 639, 640,
 &end
#
#     0  AMB  20-2:1820  43  ILE  QD1       7.0   (#  1820:20 Single)
 &rst
  ixpk= 1820, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 365, 408,
 igr2= 638, 639, 640,
 &end
#
#    43  ILE  HN     43  ILE  QD1       5.5   (#  1821:20 Unique)
 &rst
  ixpk= 1821, nxpk= 20, iat= 625,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 638, 639, 640,
 &end
#
#   106  THR  MG2   107  GLU  HA        5.5   (#  1822:20 Unique)
 &rst
  ixpk= 1822, nxpk= 20, iat=  -1,1596, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1586,1587,1588,
 &end
#
#    41  LYS  HG+    41  LYS  HD+       4.5   (#  1826:20 Unique)
 &rst
  ixpk= 1826, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 595, 596,
 igr2= 598, 599,
 &end
#
#    41  LYS  HG+    41  LYS  HD-       4.5   (#  1827:20 Unique)
 &rst
  ixpk= 1827, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 595, 596,
 igr2= 598, 599,
 &end
#
#     0  AMB  20-2:1828   0  AMB  20-1:1828     2.8   (#  1828:20 Double)
 &rst
  ixpk= 1828, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 592, 593, 592, 593,
 igr2= 598, 599, 598, 599,
 &end
#
#    42  GLU  HG+    42  GLU  HB-       3.5   (#  1830:20 Unique)
 &rst
  ixpk= 1830, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 617, 618,
 igr2= 614, 615,
 &end
#
#    68  GLY  HN     67  GLN  HB2       5.5   (#  1831:20 Unique)
 &rst
  ixpk= 1831, nxpk= 20, iat=1036,1023, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    12  VAL  MGY   112  LYS  HD-       5.5   (#  1833:20 Unique)
 &rst
  ixpk= 1833, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 168, 169, 170, 172, 173, 174,
 igr2=1692,1693,
 &end
#
#     0  AMB  20-2:1834 104  ILE  HG1-      3.5   (#  1834:20 Single)
 &rst
  ixpk= 1834, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1554,1510,1511,
 igr2=1560,1561,
 &end
#
#     0  AMB  20-2:1836 104  ILE  HG1-      4.5   (#  1836:20 Single)
 &rst
  ixpk= 1836, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1544,1545,1546, 355, 356, 357, 359, 360, 361,
 igr2=1560,1561,
 &end
#
#     0  AMB  20-2:1837   0  AMB  20-1:1837     4.5   (#  1837:20 Double)
 &rst
  ixpk= 1837, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1544,1545,1546, 355, 356, 357, 359, 360, 361,
 igr2=1560,1561,1560,1561,
 &end
#
#     0  AMB  20-2:1840 110  LYS  HG-       3.5   (#  1840:20 Single)
 &rst
  ixpk= 1840, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1654,1655,1660,1661,
 igr2=1657,1658,
 &end
#
#     0  AMB  20-2:1841   0  AMB  20-1:1841     3.5   (#  1841:20 Double)
 &rst
  ixpk= 1841, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1654,1655,1660,1661,
 igr2=1657,1658,1657,1658,
 &end
#
#    63  ASP  HA     66  LYS  HG-       5.5   (#  1842:20 Unique)
 &rst
  ixpk= 1842, nxpk= 20, iat= 953,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1004,1005,
 &end
#
#    66  LYS  HB+    66  LYS  HG-       2.8   (#  1843:20 Unique)
 &rst
  ixpk= 1843, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1001,1002,
 igr2=1004,1005,
 &end
#
#    66  LYS  HB+    66  LYS  HG+       2.8   (#  1844:20 Unique)
 &rst
  ixpk= 1844, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1001,1002,
 igr2=1004,1005,
 &end
#
#   110  LYS  HA    110  LYS  HG+       5.5   (#  1846:20 Unique)
 &rst
  ixpk= 1846, nxpk= 20, iat=1652,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1657,1658,
 &end
#
#    79  ILE  QD1    90  VAL  MGY       4.5   (#  1848:20 Unique)
 &rst
  ixpk= 1848, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1180,1181,1182,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#    91  TYR  HN     90  VAL  MGY       5.5   (#  1849:20 Unique)
 &rst
  ixpk= 1849, nxpk= 20, iat=1367,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#    79  ILE  HA     90  VAL  MGY       5.5   (#  1850:20 Unique)
 &rst
  ixpk= 1850, nxpk= 20, iat=1169,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#     0  AMB  20-2:1851  90  VAL  MGY       5.5   (#  1851:20 Single)
 &rst
  ixpk= 1851, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1573,1525,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#    79  ILE  QD1    79  ILE  QG2       2.8   (#  1852:20 Unique)
 &rst
  ixpk= 1852, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1180,1181,1182,
 igr2=1173,1174,1175,
 &end
#
#     0  AMB  20-2:1853  79  ILE  QG2       2.8   (#  1853:20 Single)
 &rst
  ixpk= 1853, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=1357,1358,1359,1361,1362,1363,1171,1321,1322,1323,
      
 igr2=1173,1174,1175,
 &end
#
#    88  ILE  HA     79  ILE  QG2       5.5   (#  1854:20 Unique)
 &rst
  ixpk= 1854, nxpk= 20, iat=1317,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1173,1174,1175,
 &end
#
#    87  LYS  HA     87  LYS  HG+       5.5   (#  1856:20 Unique)
 &rst
  ixpk= 1856, nxpk= 20, iat=1295,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1300,1301,
 &end
#
#    92  GLY  HA-   125  TYR  HA        4.5   (#  1857:20 Unique)
 &rst
  ixpk= 1857, nxpk= 20, iat=  -1,1886, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1390,1391,
 &end
#
#    29  SER  HB+    29  SER  HA         2.8   (#  1858:20 Unique)
 &rst
  ixpk= 1858, nxpk= 20, iat=  -1, 443, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 445, 446,
 &end
#
#   104  ILE  QG2   104  ILE  HA        2.8   (#  1860:20 Unique)
 &rst
  ixpk= 1860, nxpk= 20, iat=  -1,1552, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1556,1557,1558,
 &end
#
#   104  ILE  HG1+  104  ILE  HA        3.5   (#  1861:20 Unique)
 &rst
  ixpk= 1861, nxpk= 20, iat=  -1,1552, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1560,1561,
 &end
#
#   104  ILE  HG1-  104  ILE  HA        4.5   (#  1862:20 Unique)
 &rst
  ixpk= 1862, nxpk= 20, iat=  -1,1552, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1560,1561,
 &end
#
#   107  GLU  HB+   104  ILE  HA        4.5   (#  1863:20 Unique)
 &rst
  ixpk= 1863, nxpk= 20, iat=  -1,1552, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1598,1599,
 &end
#
#   104  ILE  HB    104  ILE  HA        4.5   (#  1864:20 Unique)
 &rst
  ixpk= 1864, nxpk= 20, iat=1554,1552, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   104  ILE  HN    104  ILE  HA        4.5   (#  1866:20 Unique)
 &rst
  ixpk= 1866, nxpk= 20, iat=1550,1552, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    11  ASP  HN     11  ASP  HB-       5.5   (#  1868:20 Unique)
 &rst
  ixpk= 1868, nxpk= 20, iat= 150,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 154, 155,
 &end
#
#    24  LEU  MDY    42  GLU  HB+       5.5   (#  1870:20 Unique)
 &rst
  ixpk= 1870, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 355, 356, 357, 359, 360, 361,
 igr2= 614, 615,
 &end
#
#   107  GLU  HB+   107  GLU  HG+       2.8   (#  1872:20 Unique)
 &rst
  ixpk= 1872, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1598,1599,
 igr2=1601,1602,
 &end
#
#    38  ALA  MB     39  GLU  HA        5.5   (#  1873:20 Unique)
 &rst
  ixpk= 1873, nxpk= 20, iat=  -1, 564, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 556, 557, 558,
 &end
#
#     0  AMB  20-2:1874  74  LEU  HG        3.5   (#  1874:20 Single)
 &rst
  ixpk= 1874, nxpk= 20, iat=  -1,1110, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1108, 389,
 &end
#
#    74  LEU  HB2    74  LEU  HG        5.5   (#  1875:20 Unique)
 &rst
  ixpk= 1875, nxpk= 20, iat=1107,1110, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    74  LEU  MDX    74  LEU  HG        4.5   (#  1876:20 Unique)
 &rst
  ixpk= 1876, nxpk= 20, iat=  -1,1110, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1112,1113,1114,1116,1117,1118,
 &end
#
#    10  PRO  HD+    10  PRO  HB-       4.5   (#  1877:20 Unique)
 &rst
  ixpk= 1877, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 137, 138,
 igr2= 143, 144,
 &end
#
#    40  SER  HB2    39  GLU  HB+       5.5   (#  1879:20 Unique)
 &rst
  ixpk= 1879, nxpk= 20, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 566, 567,
 &end
#
#    10  PRO  HG+    10  PRO  HB-       2.8   (#  1880:20 Unique)
 &rst
  ixpk= 1880, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 140, 141,
 igr2= 143, 144,
 &end
#
#    65  GLN  HB3    65  GLN  HG-       2.8   (#  1882:20 Unique)
 &rst
  ixpk= 1882, nxpk= 20, iat= 985,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 987, 988,
 &end
#
#    65  GLN  HB3    65  GLN  HG+       2.8   (#  1883:20 Unique)
 &rst
  ixpk= 1883, nxpk= 20, iat= 985,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 987, 988,
 &end
#
#    31  PRO  HB+     5  ASP  HA        4.5   (#  1884:20 Unique)
 &rst
  ixpk= 1884, nxpk= 20, iat=  -1,  59, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 469, 470,
 &end
#
#     5  ASP  HA      4  ALA  HA         5.5   (#  1885:20 Unique)
 &rst
  ixpk= 1885, nxpk= 20, iat=  59,  49, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   107  GLU  HG-   107  GLU  HB+       2.8   (#  1886:20 Unique)
 &rst
  ixpk= 1886, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1601,1602,
 igr2=1598,1599,
 &end
#
#     0  AMB  20-2:1887   0  AMB  20-1:1887     3.5   (#  1887:20 Double)
 &rst
  ixpk= 1887, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1654,1655,1554,
 igr2=1598,1599,1598,1599,
 &end
#
#   108  LYS  HB2   107  GLU  HB+       4.5   (#  1888:20 Unique)
 &rst
  ixpk= 1888, nxpk= 20, iat=1613,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1598,1599,
 &end
#
#     0  AMB  20-2:1889   0  AMB  20-1:1889     4.5   (#  1889:20 Double)
 &rst
  ixpk= 1889, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.00, r4= 9.50,
 igr1=1616,1617,1660,1661,1619,1620,1657,1658,
 igr2=1598,1599,1598,1599,1598,1599,1598,1599,
 &end
#
#     0  AMB  20-2:1891  95  MET  HB-       2.8   (#  1891:20 Single)
 &rst
  ixpk= 1891, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=1434,1435,1434,1435,
 igr2=1431,1432,
 &end
#
#   101  GLN  HB+   101  GLN  HG+       2.8   (#  1893:20 Unique)
 &rst
  ixpk= 1893, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1510,1511,
 igr2=1513,1514,
 &end
#
#   101  GLN  HB-   101  GLN  HG+       2.8   (#  1894:20 Unique)
 &rst
  ixpk= 1894, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1510,1511,
 igr2=1513,1514,
 &end
#
#   101  GLN  HB-   101  GLN  HG-       2.8   (#  1895:20 Unique)
 &rst
  ixpk= 1895, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1510,1511,
 igr2=1513,1514,
 &end
#
#   101  GLN  HB+   101  GLN  HG-       2.8   (#  1896:20 Unique)
 &rst
  ixpk= 1896, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1510,1511,
 igr2=1513,1514,
 &end
#
#     0  AMB  20-2:1899  72  GLU  HB-       2.8   (#  1899:20 Single)
 &rst
  ixpk= 1899, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=1084,1085,1084,1085,
 igr2=1081,1082,
 &end
#
#    72  GLU  HG+    72  GLU  HB+       2.8   (#  1900:20 Unique)
 &rst
  ixpk= 1900, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1084,1085,
 igr2=1081,1082,
 &end
#
#     0  AMB  20-2:1901   0  AMB  20-1:1901     3.5   (#  1901:20 Double)
 &rst
  ixpk= 1901, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1434,1435,1434,1435,
 igr2=1431,1432,1431,1432,
 &end
#
#    31  PRO  HA     31  PRO  HD-        4.5   (#  1904:20 Double)
 &rst
  ixpk= 1904, nxpk= 20, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 463, 464,
 &end
#
#    55  ASP  HA     58  ASP  HB-       5.5   (#  1905:20 Unique)
 &rst
  ixpk= 1905, nxpk= 20, iat= 833,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 887, 888,
 &end
#
#    83  SER  HB+    83  SER  HA        2.8   (#  1911:20 Unique)
 &rst
  ixpk= 1911, nxpk= 20, iat=  -1,1233, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1235,1236,
 &end
#
#     0  AMB  20-2:1912  59  LYS  HA        5.5   (#  1912:20 Single)
 &rst
  ixpk= 1912, nxpk= 20, iat=  -1, 897, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 946, 947, 919, 845,
 &end
#
#    41  LYS  HG+     6  LEU  MDY       4.5   (#  1913:20 Unique)
 &rst
  ixpk= 1913, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 595, 596,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#     6  LEU  MDY    27  VAL  MGY        2.8   (#  1914:20 Single)
 &rst
  ixpk= 1914, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=  78,  79,  80,  82,  83,  84,
 igr2= 414, 415, 416, 418, 419, 420,
 &end
#
#    74  LEU  HG     74  LEU  HA        4.5   (#  1915:20 Unique)
 &rst
  ixpk= 1915, nxpk= 20, iat=1110,1105, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    75  GLY  HN     74  LEU  HA        4.5   (#  1916:20 Unique)
 &rst
  ixpk= 1916, nxpk= 20, iat=1122,1105, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     6  LEU  MDX     6  LEU  HG        3.5   (#  1918:20 Unique)
 &rst
  ixpk= 1918, nxpk= 20, iat=  -1,  76, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  78,  79,  80,  82,  83,  84,
 &end
#
#     6  LEU  HG      6  LEU  HB3        4.5   (#  1919:20 Double)
 &rst
  ixpk= 1919, nxpk= 20, iat=  76,  74, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     0  AMB  20-2:1922   0  AMB  20-1:1922     3.5   (#  1922:20 Double)
 &rst
  ixpk= 1922, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 569, 570, 569, 570,
 igr2= 566, 567, 566, 567,
 &end
#
#     0  AMB  20-2:1924   0  AMB  20-1:1924     2.8   (#  1924:20 Double)
 &rst
  ixpk= 1924, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1007,1008,1004,1005,
 igr2=1001,1002,1001,1002,
 &end
#
#    66  LYS  HG-    66  LYS  HB+       2.8   (#  1925:20 Unique)
 &rst
  ixpk= 1925, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1004,1005,
 igr2=1001,1002,
 &end
#
#   109  ILE  QD1    14  ILE  QG2       5.5   (#  1926:20 Unique)
 &rst
  ixpk= 1926, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1644,1645,1646,
 igr2= 196, 197, 198,
 &end
#
#     0  AMB  20-2:1927  14  ILE  QG2       5.5   (#  1927:20 Single)
 &rst
  ixpk= 1927, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
 igr1=1173,1174,1175,1177,1178,
 igr2= 196, 197, 198,
 &end
#
#     0  AMB  20-2:1928  14  ILE  QG2       3.5   (#  1928:20 Single)
 &rst
  ixpk= 1928, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 200, 201, 168, 169, 170, 172, 173, 174,
 igr2= 196, 197, 198,
 &end
#
#     0  AMB  20-2:1929   0  AMB  20-1:1929     5.5   (#  1929:20 Double)
 &rst
  ixpk= 1929, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 845, 919,
 igr2= 902, 903, 902, 903,
 &end
#
#     0  AMB  20-2:1930   0  AMB  20-1:1930     2.8   (#  1930:20 Double)
 &rst
  ixpk= 1930, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 905, 906, 905, 906,
 igr2= 902, 903, 902, 903,
 &end
#
#     7  ALA  MB      8  LEU  MDX       4.5   (#  1932:20 Unique)
 &rst
  ixpk= 1932, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=  92,  93,  94,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#     0  AMB  20-2:1935   0  AMB  20-1:1935     2.8   (#  1935:20 Double)
 &rst
  ixpk= 1935, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 353,1107,
 igr2=1112,1113,1114,1116,1117,1118, 355, 356, 357, 359,
       360, 361,
 &end
#
#     0  AMB  20-2:1936  24  LEU  MDX       2.8   (#  1936:20 Single)
 &rst
  ixpk= 1936, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 350, 351, 650, 651, 652, 654, 655, 656,
 igr2= 355, 356, 357, 359, 360, 361,
 &end
#
#     0  AMB  20-2:1937   0  AMB  20-1:1937     4.5   (#  1937:20 Double)
 &rst
  ixpk= 1937, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1= 635, 636,1096,1097,
 igr2= 355, 356, 357, 359, 360, 361,1112,1113,1114,1116,
      1117,1118,
 &end
#
#    41  LYS  HG+     6  LEU  MDX       3.5   (#  1938:20 Unique)
 &rst
  ixpk= 1938, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 595, 596,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#     0  AMB  20-2:1939  99  PRO  HB-       4.5   (#  1939:20 Single)
 &rst
  ixpk= 1939, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1513,1514,1513,1514,
 igr2=1489,1490,
 &end
#
#    91  TYR  HB+   121  ALA  MB        5.5   (#  1940:20 Unique)
 &rst
  ixpk= 1940, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1371,1372,
 igr2=1845,1846,1847,
 &end
#
#    58  ASP  HN     57  TYR  HA        5.5   (#  1941:20 Unique)
 &rst
  ixpk= 1941, nxpk= 20, iat= 883, 864, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    83  SER  HA     83  SER  HB+       2.8   (#  1942:20 Unique)
 &rst
  ixpk= 1942, nxpk= 20, iat=1233,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1235,1236,
 &end
#
#     0  AMB  20-2:1943   0  AMB  20-1:1943     4.5   (#  1943:20 Double)
 &rst
  ixpk= 1943, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1216,1094,
 igr2=1235,1236, 864,
 &end
#
#     0  AMB  20-2:1945  90  VAL  MGX       3.5   (#  1945:20 Single)
 &rst
  ixpk= 1945, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1177,1178,1644,1645,1646,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#    79  ILE  QD1    90  VAL  MGX       4.5   (#  1946:20 Unique)
 &rst
  ixpk= 1946, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1180,1181,1182,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#    56  ILE  HN     54  ALA  MB        5.5   (#  1951:20 Unique)
 &rst
  ixpk= 1951, nxpk= 20, iat= 843,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 825, 826, 827,
 &end
#
#    26  ARG  HB2    74  LEU  MDY       4.5   (#  1952:20 Unique)
 &rst
  ixpk= 1952, nxpk= 20, iat= 388,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1112,1113,1114,1116,1117,1118,
 &end
#
#    66  LYS  HB+    66  LYS  HD+       2.8   (#  1954:20 Unique)
 &rst
  ixpk= 1954, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1001,1002,
 igr2=1007,1008,
 &end
#
#    66  LYS  HG-    66  LYS  HD+       2.8   (#  1955:20 Unique)
 &rst
  ixpk= 1955, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1004,1005,
 igr2=1007,1008,
 &end
#
#     0  AMB  20-2:1957   0  AMB  20-1:1957     3.5   (#  1957:20 Double)
 &rst
  ixpk= 1957, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 899, 900, 899, 900, 899, 900,
 igr2= 905, 906, 905, 906, 905, 906,
 &end
#
#     0  AMB  20-2:1958   0  AMB  20-1:1958     4.5   (#  1958:20 Double)
 &rst
  ixpk= 1958, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 897,1611,
 igr2= 905, 906,1692,1693,
 &end
#
#    49  TRP  HZ2     0  AMB  20-1:1959     5.5   (#  1959:20 Single)
 &rst
  ixpk= 1959, nxpk= 20, iat= 747,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 853, 854, 905, 906, 905, 906,
 &end
#
#    51  GLU  HG+    51  GLU  HB+       2.8   (#  1961:20 Unique)
 &rst
  ixpk= 1961, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 775, 776,
 igr2= 772, 773,
 &end
#
#   117  GLU  HG+   117  GLU  HB-       3.5   (#  1962:20 Unique)
 &rst
  ixpk= 1962, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1779,1780,
 igr2=1776,1777,
 &end
#
#   117  GLU  HG+   117  GLU  HB+       2.8   (#  1963:20 Unique)
 &rst
  ixpk= 1963, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1779,1780,
 igr2=1776,1777,
 &end
#
#     0  AMB  20-2:1965  25  ILE  QG2       4.5   (#  1965:20 Single)
 &rst
  ixpk= 1965, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 635, 636, 391, 392,
 igr2= 371, 372, 373,
 &end
#
#     0  AMB  20-2:1966  25  ILE  QG2       4.5   (#  1966:20 Single)
 &rst
  ixpk= 1966, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 923, 924, 925, 927, 928, 929, 635, 636,1096,1097,
      
 igr2= 371, 372, 373,
 &end
#
#    43  ILE  QD1    25  ILE  QG2       4.5   (#  1967:20 Unique)
 &rst
  ixpk= 1967, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 638, 639, 640,
 igr2= 371, 372, 373,
 &end
#
#    26  ARG  HA     25  ILE  QG2       7.0   (#  1968:20 Unique)
 &rst
  ixpk= 1968, nxpk= 20, iat= 386,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 371, 372, 373,
 &end
#
#    76  GLY  HN    100  ALA  MB        5.5   (#  1969:20 Unique)
 &rst
  ixpk= 1969, nxpk= 20, iat=1129,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1500,1501,1502,
 &end
#
#     0  AMB  20-2:1970 100  ALA  MB        5.5   (#  1970:20 Single)
 &rst
  ixpk= 1970, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 353,1107,
 igr2=1500,1501,1502,
 &end
#
#    24  LEU  HB-   100  ALA  MB        3.5   (#  1971:20 Unique)
 &rst
  ixpk= 1971, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 350, 351,
 igr2=1500,1501,1502,
 &end
#
#     0  AMB  20-2:1972  43  ILE  QG2       3.5   (#  1972:20 Single)
 &rst
  ixpk= 1972, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 635, 636, 595, 596,
 igr2= 631, 632, 633,
 &end
#
#    43  ILE  HG1-   43  ILE  QG2       4.5   (#  1973:20 Unique)
 &rst
  ixpk= 1973, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 635, 636,
 igr2= 631, 632, 633,
 &end
#
#    43  ILE  QD1    43  ILE  QG2       2.8   (#  1974:20 Unique)
 &rst
  ixpk= 1974, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 638, 639, 640,
 igr2= 631, 632, 633,
 &end
#
#    79  ILE  QG2    88  ILE  QG2       3.5   (#  1975:20 Unique)
 &rst
  ixpk= 1975, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1173,1174,1175,
 igr2=1321,1322,1323,
 &end
#
#    56  ILE  HG1+   56  ILE  QG2       4.5   (#  1976:20 Unique)
 &rst
  ixpk= 1976, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 853, 854,
 igr2= 849, 850, 851,
 &end
#
#    60  VAL  MGY    56  ILE  QG2       3.5   (#  1977:20 Unique)
 &rst
  ixpk= 1977, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 923, 924, 925, 927, 928, 929,
 igr2= 849, 850, 851,
 &end
#
#    56  ILE  HG1+   50  ALA  MB        3.5   (#  1978:20 Unique)
 &rst
  ixpk= 1978, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 853, 854,
 igr2= 762, 763, 764,
 &end
#
#     0  AMB  20-2:1979  50  ALA  MB        5.5   (#  1979:20 Single)
 &rst
  ixpk= 1979, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
 igr1= 775, 776, 847, 772, 773,
 igr2= 762, 763, 764,
 &end
#
#    60  VAL  HB     25  ILE  QD1       4.5   (#  1980:20 Unique)
 &rst
  ixpk= 1980, nxpk= 20, iat= 921,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 378, 379, 380,
 &end
#
#    60  VAL  MGY    25  ILE  QD1       3.5   (#  1981:20 Unique)
 &rst
  ixpk= 1981, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 923, 924, 925, 927, 928, 929,
 igr2= 378, 379, 380,
 &end
#
#    45  ARG  HG-    25  ILE  QD1       5.5   (#  1982:20 Unique)
 &rst
  ixpk= 1982, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 667, 668,
 igr2= 378, 379, 380,
 &end
#
#    56  ILE  HG1+   56  ILE  QD1       4.5   (#  1983:20 Unique)
 &rst
  ixpk= 1983, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 853, 854,
 igr2= 856, 857, 858,
 &end
#
#    21  LYS  HB2    56  ILE  QD1       7.0   (#  1984:20 Unique)
 &rst
  ixpk= 1984, nxpk= 20, iat= 291,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 856, 857, 858,
 &end
#
#    56  ILE  QD1    56  ILE  HG1-       5.5   (#  1985:20 Unique)
 &rst
  ixpk= 1985, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 856, 857, 858,
 igr2= 853, 854,
 &end
#
#    53  HIS  HA     56  ILE  QD1       4.5   (#  1986:20 Unique)
 &rst
  ixpk= 1986, nxpk= 20, iat= 806,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 856, 857, 858,
 &end
#
#    43  ILE  QD1    25  ILE  QD1       4.5   (#  1987:20 Unique)
 &rst
  ixpk= 1987, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 638, 639, 640,
 igr2= 378, 379, 380,
 &end
#
#     9  ILE  QD1     4  ALA  MB         4.5   (#  1988:20 Unique)
 &rst
  ixpk= 1988, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 130, 131, 132,
 igr2=  51,  52,  53,
 &end
#
#     9  ILE  HG1+    9  ILE  QD1       2.8   (#  1990:20 Unique)
 &rst
  ixpk= 1990, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 127, 128,
 igr2= 130, 131, 132,
 &end
#
#     6  LEU  MDY     9  ILE  QD1       3.5   (#  1991:20 Unique)
 &rst
  ixpk= 1991, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  78,  79,  80,  82,  83,  84,
 igr2= 130, 131, 132,
 &end
#
#     0  AMB  20-2:1993   0  AMB  20-1:1993     3.5   (#  1993:20 Double)
 &rst
  ixpk= 1993, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 127, 128,1560,1561,
 igr2= 123, 124, 125,1556,1557,1558,
 &end
#
#     9  ILE  HG1+    9  ILE  QG2       3.5   (#  1994:20 Unique)
 &rst
  ixpk= 1994, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 127, 128,
 igr2= 123, 124, 125,
 &end
#
#    43  ILE  QD1     9  ILE  QG2       3.5   (#  1995:20 Unique)
 &rst
  ixpk= 1995, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 638, 639, 640,
 igr2= 123, 124, 125,
 &end
#
#    64  MET  ME      9  ILE  QG2       3.5   (#  1996:20 Unique)
 &rst
  ixpk= 1996, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 974, 975, 976,
 igr2= 123, 124, 125,
 &end
#
#   104  ILE  HG1+  104  ILE  QD1       2.8   (#  1997:20 Unique)
 &rst
  ixpk= 1997, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1560,1561,
 igr2=1563,1564,1565,
 &end
#
#     0  AMB  20-2:1999 104  ILE  QD1       7.0   (#  1999:20 Single)
 &rst
  ixpk= 1999, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 353,1107,
 igr2=1563,1564,1565,
 &end
#
#   101  GLN  HN    104  ILE  QD1       5.5   (#  2000:20 Unique)
 &rst
  ixpk= 2000, nxpk= 20, iat=1506,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1563,1564,1565,
 &end
#
#    23  VAL  HN     56  ILE  QG2       5.5   (#  2001:20 Unique)
 &rst
  ixpk= 2001, nxpk= 20, iat= 330,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 849, 850, 851,
 &end
#
#    45  ARG  HB2    56  ILE  QG2       4.5   (#  2002:20 Unique)
 &rst
  ixpk= 2002, nxpk= 20, iat= 664,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 849, 850, 851,
 &end
#
#     0  AMB  20-2:2003  64  MET  ME        3.5   (#  2003:20 Single)
 &rst
  ixpk= 2003, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1026,1027,1047,
 igr2= 974, 975, 976,
 &end
#
#    64  MET  HG-    64  MET  ME        3.5   (#  2004:20 Unique)
 &rst
  ixpk= 2004, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 970, 971,
 igr2= 974, 975, 976,
 &end
#
#   120  TRP  HE1   103  ALA  MB        3.5   (#  2005:20 Unique)
 &rst
  ixpk= 2005, nxpk= 20, iat=1827,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1544,1545,1546,
 &end
#
#   105  SER  HN    103  ALA  MB        7.0   (#  2006:20 Unique)
 &rst
  ixpk= 2006, nxpk= 20, iat=1569,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1544,1545,1546,
 &end
#
#     0  AMB  20-2:2007 103  ALA  MB        5.5   (#  2007:20 Single)
 &rst
  ixpk= 2007, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1513,1514,1601,1602,
 igr2=1544,1545,1546,
 &end
#
#   104  ILE  HG1-  103  ALA  MB        5.5   (#  2008:20 Unique)
 &rst
  ixpk= 2008, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1560,1561,
 igr2=1544,1545,1546,
 &end
#
#   113  TYR  HN    111  ALA  MB        5.5   (#  2009:20 Unique)
 &rst
  ixpk= 2009, nxpk= 20, iat=1704,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1676,1677,1678,
 &end
#
#     0  AMB  20-2:2010 111  ALA  MB        5.5   (#  2010:20 Single)
 &rst
  ixpk= 2010, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=1689,1690, 168, 169, 170, 172, 173, 174,
 igr2=1676,1677,1678,
 &end
#
#     8  LEU  HG      7  ALA  MB         3.5   (#  2011:20 Unique)
 &rst
  ixpk= 2011, nxpk= 20, iat= 105,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  92,  93,  94,
 &end
#
#   120  TRP  HE1   106  THR  MG2       5.5   (#  2014:20 Unique)
 &rst
  ixpk= 2014, nxpk= 20, iat=1827,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1586,1587,1588,
 &end
#
#   109  ILE  HB    106  THR  MG2       4.5   (#  2015:20 Unique)
 &rst
  ixpk= 2015, nxpk= 20, iat=1635,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1586,1587,1588,
 &end
#
#    87  LYS  HD-   119  THR  MG2       4.5   (#  2016:20 Unique)
 &rst
  ixpk= 2016, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1303,1304,
 igr2=1809,1810,1811,
 &end
#
#   118  VAL  MGY   106  THR  MG2       2.8   (#  2017:20 Unique)
 &rst
  ixpk= 2017, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=1793,1794,1795,1797,1798,1799,
 igr2=1586,1587,1588,
 &end
#
#    90  VAL  MGX   106  THR  MG2       4.5   (#  2018:20 Unique)
 &rst
  ixpk= 2018, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1357,1358,1359,1361,1362,1363,
 igr2=1586,1587,1588,
 &end
#
#    45  ARG  HG+    60  VAL  MGY       2.8   (#  2019:20 Unique)
 &rst
  ixpk= 2019, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 667, 668,
 igr2= 923, 924, 925, 927, 928, 929,
 &end
#
#    45  ARG  HB3    60  VAL  MGY       3.5   (#  2020:20 Unique)
 &rst
  ixpk= 2020, nxpk= 20, iat= 665,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 923, 924, 925, 927, 928, 929,
 &end
#
#    45  ARG  HG-    60  VAL  MGY       3.5   (#  2021:20 Unique)
 &rst
  ixpk= 2021, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 667, 668,
 igr2= 923, 924, 925, 927, 928, 929,
 &end
#
#    45  ARG  HB2    60  VAL  MGY       4.5   (#  2023:20 Unique)
 &rst
  ixpk= 2023, nxpk= 20, iat= 664,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 923, 924, 925, 927, 928, 929,
 &end
#
#     5  ASP  HB+     4  ALA  HA        5.5   (#  2024:20 Unique)
 &rst
  ixpk= 2024, nxpk= 20, iat=  -1,  49, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  61,  62,
 &end
#
#     4  ALA  HA      5  ASP  HA         5.5   (#  2025:20 Single)
 &rst
  ixpk= 2025, nxpk= 20, iat=  49,  59, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    41  LYS  HD-     6  LEU  MDX       4.5   (#  2027:20 Unique)
 &rst
  ixpk= 2027, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 598, 599,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#     6  LEU  MDX    29  SER  HB-       5.5   (#  2028:20 Unique)
 &rst
  ixpk= 2028, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  78,  79,  80,  82,  83,  84,
 igr2= 445, 446,
 &end
#
#    38  ALA  HA     29  SER  HB-       4.5   (#  2031:20 Unique)
 &rst
  ixpk= 2031, nxpk= 20, iat= 554,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 445, 446,
 &end
#
#    53  HIS  HB-    53  HIS  HA        5.5   (#  2032:20 Unique)
 &rst
  ixpk= 2032, nxpk= 20, iat=  -1, 806, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 808, 809,
 &end
#
#     6  LEU  MDY    29  SER  HB+       5.5   (#  2033:20 Unique)
 &rst
  ixpk= 2033, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  78,  79,  80,  82,  83,  84,
 igr2= 445, 446,
 &end
#
#   114  PRO  HG+   114  PRO  HB+        2.8   (#  2034:20 Double)
 &rst
  ixpk= 2034, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1729,1730,
 igr2=1732,1733,
 &end
#
#    10  PRO  HB+    10  PRO  HG+       3.5   (#  2035:20 Unique)
 &rst
  ixpk= 2035, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 143, 144,
 igr2= 140, 141,
 &end
#
#    65  GLN  HG-    65  GLN  HB3       2.8   (#  2036:20 Unique)
 &rst
  ixpk= 2036, nxpk= 20, iat=  -1, 985, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 987, 988,
 &end
#
#    65  GLN  HG+    65  GLN  HB3       4.5   (#  2037:20 Unique)
 &rst
  ixpk= 2037, nxpk= 20, iat=  -1, 985, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 987, 988,
 &end
#
#    65  GLN  HG+    65  GLN  HB2       4.5   (#  2038:20 Unique)
 &rst
  ixpk= 2038, nxpk= 20, iat=  -1, 984, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 987, 988,
 &end
#
#    65  GLN  HG-    65  GLN  HB2       2.8   (#  2039:20 Unique)
 &rst
  ixpk= 2039, nxpk= 20, iat=  -1, 984, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 987, 988,
 &end
#
#     0  AMB  20-2:2040   0  AMB  20-1:2040     2.8   (#  2040:20 Double)
 &rst
  ixpk= 2040, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 143, 144,1221,1222,
 igr2= 140, 141,1218,1219,
 &end
#
#    10  PRO  HG+    10  PRO  HB+        3.5   (#  2041:20 Unique)
 &rst
  ixpk= 2041, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 140, 141,
 igr2= 143, 144,
 &end
#
#    31  PRO  HB+    31  PRO  HG+       2.8   (#  2042:20 Unique)
 &rst
  ixpk= 2042, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 469, 470,
 igr2= 466, 467,
 &end
#
#    31  PRO  HB+    31  PRO  HG-       3.5   (#  2043:20 Unique)
 &rst
  ixpk= 2043, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 469, 470,
 igr2= 466, 467,
 &end
#
#    10  PRO  HD+    10  PRO  HG+       3.5   (#  2044:20 Unique)
 &rst
  ixpk= 2044, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 137, 138,
 igr2= 140, 141,
 &end
#
#     3  VAL  MGX    32  ARG  HB+        5.5   (#  2047:20 Single)
 &rst
  ixpk= 2047, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  37,  38,  39,  41,  42,  43,
 igr2= 480, 481,
 &end
#
#     3  VAL  MGX    35  ALA  MB         3.5   (#  2049:20 Single)
 &rst
  ixpk= 2049, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  37,  38,  39,  41,  42,  43,
 igr2= 522, 523, 524,
 &end
#
#     0  AMB  20-2:2051   0  AMB  20-1:2051     2.8   (#  2051:20 Double)
 &rst
  ixpk= 2051, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 614, 615,1619,1620,1004,1005,
 igr2=1622,1623,1622,1623,1010,1011,
 &end
#
#     0  AMB  20-2:2054   0  AMB  20-1:2054     2.8   (#  2054:20 Double)
 &rst
  ixpk= 2054, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1023,1218,1219,
 igr2=1026,1027,1221,1222,
 &end
#
#     0  AMB  20-2:2055  24  LEU  MDY       2.8   (#  2055:20 Single)
 &rst
  ixpk= 2055, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 353,1107,
 igr2= 355, 356, 357, 359, 360, 361,
 &end
#
#     0  AMB  20-2:2056  24  LEU  MDY       5.5   (#  2056:20 Single)
 &rst
  ixpk= 2056, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1108,1616,1617,
 igr2= 355, 356, 357, 359, 360, 361,
 &end
#
#     8  LEU  HB+     8  LEU  MDY       2.8   (#  2057:20 Unique)
 &rst
  ixpk= 2057, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 102, 103,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#     7  ALA  MB      8  LEU  MDY       4.5   (#  2058:20 Unique)
 &rst
  ixpk= 2058, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=  92,  93,  94,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#     0  AMB  20-2:2061   0  AMB  20-1:2061     3.5   (#  2061:20 Double)
 &rst
  ixpk= 2061, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr1=1689,1690, 168, 169, 170, 172, 173, 174, 650, 651,
       652, 654, 655, 656,
 igr2=1695,1696,1622,1623,
 &end
#
#     8  LEU  MDX     4  ALA  MB        5.5   (#  2063:20 Unique)
 &rst
  ixpk= 2063, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 107, 108, 109, 111, 112, 113,
 igr2=  51,  52,  53,
 &end
#
#     0  AMB  20-2:2064   4  ALA  MB        4.5   (#  2064:20 Single)
 &rst
  ixpk= 2064, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
 igr1= 107, 108, 109, 111, 112, 113, 130, 131, 132,
 igr2=  51,  52,  53,
 &end
#
#    60  VAL  MGX    45  ARG  HG-        2.8   (#  2065:20 Double)
 &rst
  ixpk= 2065, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 923, 924, 925, 927, 928, 929,
 igr2= 667, 668,
 &end
#
#     0  AMB  20-2:2067   0  AMB  20-1:2067     4.5   (#  2067:20 Double)
 &rst
  ixpk= 2067, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 638, 639, 640,1641,1642,
 igr2= 923, 924, 925, 927, 928, 929, 650, 651, 652, 654,
       655, 656,
 &end
#
#    45  ARG  HG-    60  VAL  MGX       4.5   (#  2069:20 Unique)
 &rst
  ixpk= 2069, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 667, 668,
 igr2= 923, 924, 925, 927, 928, 929,
 &end
#
#     0  AMB  20-2:2070   0  AMB  20-1:2070     3.5   (#  2070:20 Double)
 &rst
  ixpk= 2070, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 648, 974, 975, 976,
 igr2= 650, 651, 652, 654, 655, 656, 923, 924, 925, 927,
       928, 929,
 &end
#
#    24  LEU  HA     44  VAL  MGY       5.5   (#  2071:20 Unique)
 &rst
  ixpk= 2071, nxpk= 20, iat= 348,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 650, 651, 652, 654, 655, 656,
 &end
#
#    78  ARG  HG-    19  VAL  MGX       3.5   (#  2072:20 Unique)
 &rst
  ixpk= 2072, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1150,1151,
 igr2= 257, 258, 259, 261, 262, 263,
 &end
#
#     0  AMB  20-2:2073  19  VAL  MGX       5.5   (#  2073:20 Single)
 &rst
  ixpk= 2073, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=1150,1151, 297, 298,
 igr2= 257, 258, 259, 261, 262, 263,
 &end
#
#     0  AMB  20-2:2075   0  AMB  20-1:2075     2.8   (#  2075:20 Double)
 &rst
  ixpk= 2075, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1=1586,1587,1588, 635, 636, 595, 596,
 igr2=1793,1794,1795,1797,1798,1799, 414, 415, 416, 418,
       419, 420,
 &end
#
#    43  ILE  HG1-   27  VAL  MGY       3.5   (#  2076:20 Unique)
 &rst
  ixpk= 2076, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 635, 636,
 igr2= 414, 415, 416, 418, 419, 420,
 &end
#
#     0  AMB  20-2:2077   0  AMB  20-1:2077     2.8   (#  2077:20 Double)
 &rst
  ixpk= 2077, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr1=1321,1322,1323, 638, 639, 640,
 igr2=1793,1794,1795,1797,1798,1799, 414, 415, 416, 418,
       419, 420,
 &end
#
#    78  ARG  HG-    19  VAL  MGX       4.5   (#  2078:20 Unique)
 &rst
  ixpk= 2078, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1150,1151,
 igr2= 257, 258, 259, 261, 262, 263,
 &end
#
#     0  AMB  20-2:2079 118  VAL  MGX       3.5   (#  2079:20 Single)
 &rst
  ixpk= 2079, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1635,1660,1661,1657,1658,
 igr2=1793,1794,1795,1797,1798,1799,
 &end
#
#     2  ALA  HN      2  ALA  MB        4.5   (#  2080:20 Unique)
 &rst
  ixpk= 2080, nxpk= 20, iat=  21,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  25,  26,  27,
 &end
#
#    74  LEU  MDY    74  LEU  HB3       3.5   (#  2081:20 Unique)
 &rst
  ixpk= 2081, nxpk= 20, iat=  -1,1108, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1112,1113,1114,1116,1117,1118,
 &end
#
#   112  LYS  HD+   112  LYS  HA        2.8   (#  2082:20 Unique)
 &rst
  ixpk= 2082, nxpk= 20, iat=  -1,1684, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1692,1693,
 &end
#
#   117  GLU  HB+    87  LYS  HB-       3.5   (#  2085:20 Unique)
 &rst
  ixpk= 2085, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1776,1777,
 igr2=1297,1298,
 &end
#
#    87  LYS  HG-    87  LYS  HB+       3.5   (#  2087:20 Unique)
 &rst
  ixpk= 2087, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1300,1301,
 igr2=1297,1298,
 &end
#
#    87  LYS  HG-    87  LYS  HB-       3.5   (#  2089:20 Unique)
 &rst
  ixpk= 2089, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1300,1301,
 igr2=1297,1298,
 &end
#
#   102  HIS  HN    101  GLN  HG+       5.5   (#  2091:20 Unique)
 &rst
  ixpk= 2091, nxpk= 20, iat=1523,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1513,1514,
 &end
#
#   102  HIS  HN    101  GLN  HG-       5.5   (#  2092:20 Unique)
 &rst
  ixpk= 2092, nxpk= 20, iat=1523,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1513,1514,
 &end
#
#    90  VAL  HN     90  VAL  HB        4.5   (#  2094:20 Unique)
 &rst
  ixpk= 2094, nxpk= 20, iat=1351,1355, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    95  MET  HB+    95  MET  HG-       3.5   (#  2095:20 Unique)
 &rst
  ixpk= 2095, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1431,1432,
 igr2=1434,1435,
 &end
#
#    95  MET  HB-    95  MET  HG+       3.5   (#  2096:20 Unique)
 &rst
  ixpk= 2096, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1431,1432,
 igr2=1434,1435,
 &end
#
#    95  MET  HB-    95  MET  HG-       3.5   (#  2097:20 Unique)
 &rst
  ixpk= 2097, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1431,1432,
 igr2=1434,1435,
 &end
#
#     0  AMB  20-2:2098   0  AMB  20-1:2098     3.5   (#  2098:20 Double)
 &rst
  ixpk= 2098, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 168, 169, 170, 172, 173, 174,1637,1638,1639, 650,
       651, 652, 654, 655, 656,
 igr2=1641,1642,1641,1642,1641,1642,
 &end
#
#    50  ALA  HA     51  GLU  HB+       5.5   (#  2099:20 Unique)
 &rst
  ixpk= 2099, nxpk= 20, iat= 760,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 772, 773,
 &end
#
#     0  AMB  20-2:2100 109  ILE  HG1-      7.0   (#  2100:20 Single)
 &rst
  ixpk= 2100, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1635, 200, 201,
 igr2=1641,1642,
 &end
#
#    64  MET  HB2    69  CYS  HB3       4.5   (#  2102:20 Unique)
 &rst
  ixpk= 2102, nxpk= 20, iat= 967,1048, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     0  AMB  20-2:2103  74  LEU  HB3       3.5   (#  2103:20 Single)
 &rst
  ixpk= 2103, nxpk= 20, iat=  -1,1108, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1112,1113,1114,1116,1117,1118, 355, 356, 357, 359,
       360, 361,
 &end
#
#     6  LEU  HA      6  LEU  HG        5.5   (#  2104:20 Unique)
 &rst
  ixpk= 2104, nxpk= 20, iat=  71,  76, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     8  LEU  MDY     7  ALA  MB        4.5   (#  2105:20 Unique)
 &rst
  ixpk= 2105, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 107, 108, 109, 111, 112, 113,
 igr2=  92,  93,  94,
 &end
#
#    10  PRO  HD-     9  ILE  HA        3.5   (#  2107:20 Unique)
 &rst
  ixpk= 2107, nxpk= 20, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 137, 138,
 &end
#
#     9  ILE  HB      9  ILE  HA        4.5   (#  2108:20 Unique)
 &rst
  ixpk= 2108, nxpk= 20, iat= 121, 119, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     9  ILE  HA     10  PRO  HG+        4.5   (#  2109:20 Unique)
 &rst
  ixpk= 2109, nxpk= 20, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 140, 141,
 &end
#
#     9  ILE  HG1-    9  ILE  HB        3.5   (#  2110:20 Unique)
 &rst
  ixpk= 2110, nxpk= 20, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 127, 128,
 &end
#
#    10  PRO  HD+    10  PRO  HB+       4.5   (#  2111:20 Unique)
 &rst
  ixpk= 2111, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 137, 138,
 igr2= 143, 144,
 &end
#
#    10  PRO  HB-    12  VAL  HN         5.5   (#  2112:20 Unique)
 &rst
  ixpk= 2112, nxpk= 20, iat=  -1, 162, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 143, 144,
 &end
#
#     0  AMB  20-2:2113   0  AMB  20-1:2113     5.5   (#  2113:20 Double)
 &rst
  ixpk= 2113, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 117,  98,
 igr2= 137, 138, 137, 138,
 &end
#
#    45  ARG  HD-    13  ASP  HB3       4.5   (#  2114:20 Unique)
 &rst
  ixpk= 2114, nxpk= 20, iat=  -1, 183, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 670, 671,
 &end
#
#    45  ARG  HD+    13  ASP  HB2       5.5   (#  2115:20 Unique)
 &rst
  ixpk= 2115, nxpk= 20, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 670, 671,
 &end
#
#    13  ASP  HN     13  ASP  HB2       5.5   (#  2116:20 Unique)
 &rst
  ixpk= 2116, nxpk= 20, iat= 178, 182, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     6  LEU  MDX    40  SER  HA        3.5   (#  2117:20 Unique)
 &rst
  ixpk= 2117, nxpk= 20, iat=  -1, 579, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  78,  79,  80,  82,  83,  84,
 &end
#
#     0  AMB  20-2:2118   0  AMB  20-1:2118     5.5   (#  2118:20 Double)
 &rst
  ixpk= 2118, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 686, 687, 564,
 igr2= 192, 579,
 &end
#
#    14  ILE  QG2    14  ILE  HB        4.5   (#  2120:20 Unique)
 &rst
  ixpk= 2120, nxpk= 20, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 196, 197, 198,
 &end
#
#    14  ILE  HN     14  ILE  HG1+      5.5   (#  2121:20 Unique)
 &rst
  ixpk= 2121, nxpk= 20, iat= 190,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 200, 201,
 &end
#
#    20  PHE  HN     19  VAL  HA        2.8   (#  2122:20 Unique)
 &rst
  ixpk= 2122, nxpk= 20, iat= 267, 253, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    19  VAL  HB     19  VAL  HA        5.5   (#  2125:20 Unique)
 &rst
  ixpk= 2125, nxpk= 20, iat= 255, 253, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    19  VAL  MGY    19  VAL  HA        3.5   (#  2126:20 Unique)
 &rst
  ixpk= 2126, nxpk= 20, iat=  -1, 253, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 257, 258, 259, 261, 262, 263,
 &end
#
#    19  VAL  MGX    19  VAL  HA        3.5   (#  2127:20 Unique)
 &rst
  ixpk= 2127, nxpk= 20, iat=  -1, 253, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 257, 258, 259, 261, 262, 263,
 &end
#
#   109  ILE  QD1    44  VAL  MGY       4.5   (#  2128:20 Unique)
 &rst
  ixpk= 2128, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1644,1645,1646,
 igr2= 650, 651, 652, 654, 655, 656,
 &end
#
#    21  LYS  HA     21  LYS  HB3       5.5   (#  2129:20 Unique)
 &rst
  ixpk= 2129, nxpk= 20, iat= 289, 292, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    21  LYS  HN     21  LYS  HB3       5.5   (#  2130:20 Unique)
 &rst
  ixpk= 2130, nxpk= 20, iat= 287, 292, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    22  TYR  HB-    22  TYR  HA        4.5   (#  2132:20 Unique)
 &rst
  ixpk= 2132, nxpk= 20, iat=  -1, 311, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 313, 314,
 &end
#
#    46  GLY  HA-    22  TYR  HA        4.5   (#  2133:20 Unique)
 &rst
  ixpk= 2133, nxpk= 20, iat=  -1, 311, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 686, 687,
 &end
#
#    76  GLY  HA+    23  VAL  HA        3.5   (#  2134:20 Unique)
 &rst
  ixpk= 2134, nxpk= 20, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1131,1132,
 &end
#
#    57  TYR  HD     23  VAL  MGY       5.5   (#  2136:20 Unique)
 &rst
  ixpk= 2136, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 870, 879,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
#    45  ARG  HB2    23  VAL  MGX       5.5   (#  2137:20 Unique)
 &rst
  ixpk= 2137, nxpk= 20, iat= 664,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
#    24  LEU  MDY    24  LEU  HA        2.8   (#  2138:20 Unique)
 &rst
  ixpk= 2138, nxpk= 20, iat=  -1, 348, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 355, 356, 357, 359, 360, 361,
 &end
#
#     0  AMB  20-2:2139  24  LEU  HA        3.5   (#  2139:20 Single)
 &rst
  ixpk= 2139, nxpk= 20, iat=  -1, 348, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 350, 351, 375, 376,
 &end
#
#    24  LEU  HG     24  LEU  HA        5.5   (#  2140:20 Unique)
 &rst
  ixpk= 2140, nxpk= 20, iat= 353, 348, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    24  LEU  HB+    24  LEU  HA        3.5   (#  2141:20 Unique)
 &rst
  ixpk= 2141, nxpk= 20, iat=  -1, 348, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 350, 351,
 &end
#
#    44  VAL  HA     24  LEU  HA        4.5   (#  2142:20 Unique)
 &rst
  ixpk= 2142, nxpk= 20, iat= 646, 348, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    24  LEU  HN     24  LEU  HA        5.5   (#  2143:20 Unique)
 &rst
  ixpk= 2143, nxpk= 20, iat= 346, 348, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    25  ILE  HN     24  LEU  HA        2.8   (#  2144:20 Unique)
 &rst
  ixpk= 2144, nxpk= 20, iat= 365, 348, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   102  HIS  HD2    24  LEU  HB-       5.5   (#  2145:20 Unique)
 &rst
  ixpk= 2145, nxpk= 20, iat=1536,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 350, 351,
 &end
#
#    24  LEU  HB+    24  LEU  HG        4.5   (#  2146:20 Unique)
 &rst
  ixpk= 2146, nxpk= 20, iat=  -1, 353, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 350, 351,
 &end
#
#     0  AMB  20-2:2147  24  LEU  MDX       5.5   (#  2147:20 Single)
 &rst
  ixpk= 2147, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1518,1519,1550,
 igr2= 355, 356, 357, 359, 360, 361,
 &end
#
#    25  ILE  QG2    25  ILE  HA        3.5   (#  2148:20 Unique)
 &rst
  ixpk= 2148, nxpk= 20, iat=  -1, 367, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 371, 372, 373,
 &end
#
#    26  ARG  HN     25  ILE  HA        3.5   (#  2149:20 Unique)
 &rst
  ixpk= 2149, nxpk= 20, iat= 384, 367, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    25  ILE  HN     25  ILE  HB        4.5   (#  2150:20 Unique)
 &rst
  ixpk= 2150, nxpk= 20, iat= 365, 369, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    25  ILE  HA     25  ILE  HG1+      4.5   (#  2151:20 Unique)
 &rst
  ixpk= 2151, nxpk= 20, iat= 367,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 375, 376,
 &end
#
#    42  GLU  HA     26  ARG  HA        3.5   (#  2153:20 Unique)
 &rst
  ixpk= 2153, nxpk= 20, iat= 612, 386, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    27  VAL  HN     26  ARG  HA        2.8   (#  2154:20 Unique)
 &rst
  ixpk= 2154, nxpk= 20, iat= 408, 386, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     0  AMB  20-2:2155  26  ARG  HA        3.5   (#  2155:20 Single)
 &rst
  ixpk= 2155, nxpk= 20, iat=  -1, 386, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 391, 392, 414, 415, 416, 418, 419, 420,
 &end
#
#    26  ARG  HA     26  ARG  HG+       5.5   (#  2156:20 Unique)
 &rst
  ixpk= 2156, nxpk= 20, iat= 386,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 391, 392,
 &end
#
#    26  ARG  HD-    26  ARG  HG-        4.5   (#  2157:20 Unique)
 &rst
  ixpk= 2157, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 394, 395,
 igr2= 391, 392,
 &end
#
#    40  SER  HA     28  HIS  HA        2.8   (#  2158:20 Unique)
 &rst
  ixpk= 2158, nxpk= 20, iat= 579, 426, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    29  SER  HN     28  HIS  HA        2.8   (#  2159:20 Unique)
 &rst
  ixpk= 2159, nxpk= 20, iat= 441, 426, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    30  ALA  HA     30  ALA  MB         2.8   (#  2160:20 Single)
 &rst
  ixpk= 2160, nxpk= 20, iat= 454,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 456, 457, 458,
 &end
#
#    31  PRO  HD-    30  ALA  HA        2.8   (#  2161:20 Unique)
 &rst
  ixpk= 2161, nxpk= 20, iat=  -1, 454, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 463, 464,
 &end
#
#    30  ALA  HA     31  PRO  HD+        2.8   (#  2162:20 Unique)
 &rst
  ixpk= 2162, nxpk= 20, iat= 454,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 463, 464,
 &end
#
#    30  ALA  HN     30  ALA  HA        3.5   (#  2163:20 Unique)
 &rst
  ixpk= 2163, nxpk= 20, iat= 452, 454, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    36  PRO  HD-    35  ALA  HA        2.8   (#  2164:20 Unique)
 &rst
  ixpk= 2164, nxpk= 20, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 529, 530,
 &end
#
#    35  ALA  HA     36  PRO  HG+        4.5   (#  2165:20 Single)
 &rst
  ixpk= 2165, nxpk= 20, iat= 520,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 532, 533,
 &end
#
#    35  ALA  MB     35  ALA  HA        2.8   (#  2166:20 Unique)
 &rst
  ixpk= 2166, nxpk= 20, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 522, 523, 524,
 &end
#
#    35  ALA  HN     35  ALA  HA        4.5   (#  2167:20 Unique)
 &rst
  ixpk= 2167, nxpk= 20, iat= 518, 520, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    31  PRO  HA     31  PRO  HB-        3.5   (#  2168:20 Double)
 &rst
  ixpk= 2168, nxpk= 20, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 469, 470,
 &end
#
#    31  PRO  HD-    31  PRO  HA         4.5   (#  2169:20 Double)
 &rst
  ixpk= 2169, nxpk= 20, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 463, 464,
 &end
#
#    31  PRO  HD+    31  PRO  HA         4.5   (#  2170:20 Double)
 &rst
  ixpk= 2170, nxpk= 20, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 463, 464,
 &end
#
#    37  ALA  HN     36  PRO  HB+       5.5   (#  2173:20 Unique)
 &rst
  ixpk= 2173, nxpk= 20, iat= 542,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 535, 536,
 &end
#
#    36  PRO  HB-    37  ALA  HN         5.5   (#  2174:20 Single)
 &rst
  ixpk= 2174, nxpk= 20, iat=  -1, 542, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 535, 536,
 &end
#
#    44  VAL  MGY    44  VAL  HA        3.5   (#  2175:20 Unique)
 &rst
  ixpk= 2175, nxpk= 20, iat=  -1, 646, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 650, 651, 652, 654, 655, 656,
 &end
#
#     0  AMB  20-2:2176  44  VAL  HA        3.5   (#  2176:20 Single)
 &rst
  ixpk= 2176, nxpk= 20, iat=  -1, 646, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 355, 356, 357, 359, 360, 361, 168, 169, 170, 172,
       173, 174, 336, 337, 338, 340, 341, 342,
 &end
#
#    44  VAL  MGX    44  VAL  HA        3.5   (#  2177:20 Unique)
 &rst
  ixpk= 2177, nxpk= 20, iat=  -1, 646, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 650, 651, 652, 654, 655, 656,
 &end
#
#     0  AMB  20-2:2178  44  VAL  HA        4.5   (#  2178:20 Single)
 &rst
  ixpk= 2178, nxpk= 20, iat=  -1, 646, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 648, 629,
 &end
#
#    24  LEU  HA     44  VAL  HA        4.5   (#  2179:20 Unique)
 &rst
  ixpk= 2179, nxpk= 20, iat= 348, 646, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    45  ARG  HN     44  VAL  HA        2.8   (#  2180:20 Unique)
 &rst
  ixpk= 2180, nxpk= 20, iat= 660, 646, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    60  VAL  MGY    45  ARG  HB2       5.5   (#  2181:20 Unique)
 &rst
  ixpk= 2181, nxpk= 20, iat=  -1, 664, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 923, 924, 925, 927, 928, 929,
 &end
#
#    45  ARG  HG-    45  ARG  HB2       5.5   (#  2182:20 Unique)
 &rst
  ixpk= 2182, nxpk= 20, iat=  -1, 664, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 667, 668,
 &end
#
#    45  ARG  HG-    45  ARG  HB3       4.5   (#  2183:20 Unique)
 &rst
  ixpk= 2183, nxpk= 20, iat=  -1, 665, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 667, 668,
 &end
#
#    60  VAL  MGY    45  ARG  HB3       5.5   (#  2184:20 Unique)
 &rst
  ixpk= 2184, nxpk= 20, iat=  -1, 665, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 923, 924, 925, 927, 928, 929,
 &end
#
#    52  TYR  HN     52  TYR  HB-       4.5   (#  2185:20 Unique)
 &rst
  ixpk= 2185, nxpk= 20, iat= 783,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 787, 788,
 &end
#
#    55  ASP  HN     55  ASP  HB2       4.5   (#  2187:20 Unique)
 &rst
  ixpk= 2187, nxpk= 20, iat= 831, 835, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    56  ILE  HB     56  ILE  HA        5.5   (#  2190:20 Unique)
 &rst
  ixpk= 2190, nxpk= 20, iat= 847, 845, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    57  TYR  HN     56  ILE  HA        7.0   (#  2191:20 Unique)
 &rst
  ixpk= 2191, nxpk= 20, iat= 862, 845, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    56  ILE  HA     56  ILE  HG1+      5.5   (#  2192:20 Unique)
 &rst
  ixpk= 2192, nxpk= 20, iat= 845,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 853, 854,
 &end
#
#    57  TYR  HE     57  TYR  HA        5.5   (#  2193:20 Unique)
 &rst
  ixpk= 2193, nxpk= 20, iat=  -1, 864, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 872, 877,
 &end
#
#     0  AMB  20-2:2194   0  AMB  20-1:2194     5.5   (#  2194:20 Double)
 &rst
  ixpk= 2194, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 905, 906, 905, 906,
 igr2= 899, 900, 899, 900,
 &end
#
#     0  AMB  20-2:2195  59  LYS  HB-       5.5   (#  2195:20 Single)
 &rst
  ixpk= 2195, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 905, 906, 905, 906,
 igr2= 899, 900,
 &end
#
#    59  LYS  HG+    59  LYS  HB-       3.5   (#  2196:20 Unique)
 &rst
  ixpk= 2196, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 902, 903,
 igr2= 899, 900,
 &end
#
#    59  LYS  HA     59  LYS  HB-       3.5   (#  2197:20 Unique)
 &rst
  ixpk= 2197, nxpk= 20, iat= 897,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 899, 900,
 &end
#
#    59  LYS  HA     59  LYS  HD-       5.5   (#  2198:20 Unique)
 &rst
  ixpk= 2198, nxpk= 20, iat= 897,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 905, 906,
 &end
#
#    64  MET  HG+    64  MET  HB3       4.5   (#  2200:20 Unique)
 &rst
  ixpk= 2200, nxpk= 20, iat=  -1, 968, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 970, 971,
 &end
#
#    64  MET  HG-    64  MET  HB3       5.5   (#  2201:20 Unique)
 &rst
  ixpk= 2201, nxpk= 20, iat=  -1, 968, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 970, 971,
 &end
#
#    64  MET  HG-    64  MET  HB2       4.5   (#  2202:20 Unique)
 &rst
  ixpk= 2202, nxpk= 20, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 970, 971,
 &end
#
#    64  MET  HA     64  MET  HB3       4.5   (#  2203:20 Unique)
 &rst
  ixpk= 2203, nxpk= 20, iat= 965, 968, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    74  LEU  MDX    74  LEU  HA        3.5   (#  2204:20 Unique)
 &rst
  ixpk= 2204, nxpk= 20, iat=  -1,1105, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1112,1113,1114,1116,1117,1118,
 &end
#
#    23  VAL  HA     76  GLY  HA+       4.5   (#  2205:20 Unique)
 &rst
  ixpk= 2205, nxpk= 20, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1131,1132,
 &end
#
#    99  PRO  HD+    98  GLY  HA-       4.5   (#  2208:20 Unique)
 &rst
  ixpk= 2208, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1483,1484,
 igr2=1477,1478,
 &end
#
#    99  PRO  HD-    98  GLY  HA-       4.5   (#  2209:20 Unique)
 &rst
  ixpk= 2209, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1483,1484,
 igr2=1477,1478,
 &end
#
#    78  ARG  HD+    78  ARG  HG+       4.5   (#  2210:20 Unique)
 &rst
  ixpk= 2210, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1153,1154,
 igr2=1150,1151,
 &end
#
#    78  ARG  HD-    78  ARG  HG+       5.5   (#  2211:20 Unique)
 &rst
  ixpk= 2211, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1153,1154,
 igr2=1150,1151,
 &end
#
#    78  ARG  HD-    78  ARG  HG-       5.5   (#  2212:20 Unique)
 &rst
  ixpk= 2212, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1153,1154,
 igr2=1150,1151,
 &end
#
#    60  VAL  MGY    45  ARG  HG+       4.5   (#  2213:20 Unique)
 &rst
  ixpk= 2213, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 923, 924, 925, 927, 928, 929,
 igr2= 667, 668,
 &end
#
#    60  VAL  MGY    45  ARG  HG-       5.5   (#  2215:20 Unique)
 &rst
  ixpk= 2215, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 923, 924, 925, 927, 928, 929,
 igr2= 667, 668,
 &end
#
#    25  ILE  QD1    45  ARG  HG-       7.0   (#  2216:20 Unique)
 &rst
  ixpk= 2216, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 378, 379, 380,
 igr2= 667, 668,
 &end
#
#    79  ILE  HG1-   79  ILE  HA        5.5   (#  2217:20 Unique)
 &rst
  ixpk= 2217, nxpk= 20, iat=  -1,1169, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1177,1178,
 &end
#
#     0  AMB  20-2:2218  79  ILE  HA        5.5   (#  2218:20 Single)
 &rst
  ixpk= 2218, nxpk= 20, iat=  -1,1169, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1=1357,1358,1359,1361,1362,1363,1171,
 &end
#
#     0  AMB  20-2:2219  93  TYR  HA        3.5   (#  2219:20 Single)
 &rst
  ixpk= 2219, nxpk= 20, iat=  -1,1397, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1399,1400,1489,1490,
 &end
#
#    93  TYR  HB+    93  TYR  HA        3.5   (#  2220:20 Unique)
 &rst
  ixpk= 2220, nxpk= 20, iat=  -1,1397, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1399,1400,
 &end
#
#    99  PRO  HA     93  TYR  HA        3.5   (#  2222:20 Unique)
 &rst
  ixpk= 2222, nxpk= 20, iat=1492,1397, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    94  SER  HN     93  TYR  HA        4.5   (#  2223:20 Unique)
 &rst
  ixpk= 2223, nxpk= 20, iat=1416,1397, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   100  ALA  HN     93  TYR  HA        5.5   (#  2224:20 Unique)
 &rst
  ixpk= 2224, nxpk= 20, iat=1496,1397, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    93  TYR  HD     93  TYR  HA        5.5   (#  2225:20 Unique)
 &rst
  ixpk= 2225, nxpk= 20, iat=  -1,1397, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1403,1412,
 &end
#
#    97  TYR  HD     97  TYR  HA        3.5   (#  2226:20 Unique)
 &rst
  ixpk= 2226, nxpk= 20, iat=  -1,1456, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1462,1471,
 &end
#
#    97  TYR  HB+    97  TYR  HA        3.5   (#  2227:20 Unique)
 &rst
  ixpk= 2227, nxpk= 20, iat=  -1,1456, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1458,1459,
 &end
#
#    97  TYR  HB-    97  TYR  HA        5.5   (#  2228:20 Unique)
 &rst
  ixpk= 2228, nxpk= 20, iat=  -1,1456, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1458,1459,
 &end
#
#    49  TRP  HE3    49  TRP  HA        5.5   (#  2229:20 Unique)
 &rst
  ixpk= 2229, nxpk= 20, iat= 753, 736, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    97  TYR  HA     97  TYR  HB-       4.5   (#  2230:20 Unique)
 &rst
  ixpk= 2230, nxpk= 20, iat=1456,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1458,1459,
 &end
#
#    11  ASP  HA     43  ILE  QD1       5.5   (#  2231:20 Unique)
 &rst
  ixpk= 2231, nxpk= 20, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 638, 639, 640,
 &end
#
#   102  HIS  HD2    79  ILE  QD1       5.5   (#  2232:20 Unique)
 &rst
  ixpk= 2232, nxpk= 20, iat=1536,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1180,1181,1182,
 &end
#
#    22  TYR  HD     79  ILE  QD1       5.5   (#  2234:20 Unique)
 &rst
  ixpk= 2234, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 317, 326,
 igr2=1180,1181,1182,
 &end
#
#    44  VAL  HN     43  ILE  QD1       5.5   (#  2235:20 Unique)
 &rst
  ixpk= 2235, nxpk= 20, iat= 644,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 638, 639, 640,
 &end
#
#    76  GLY  HN     94  SER  HB+       5.5   (#  2236:20 Unique)
 &rst
  ixpk= 2236, nxpk= 20, iat=1129,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1420,1421,
 &end
#
#   107  GLU  HN    104  ILE  HA        5.5   (#  2237:20 Unique)
 &rst
  ixpk= 2237, nxpk= 20, iat=1594,1552, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   105  SER  HN    104  ILE  HA        5.5   (#  2238:20 Unique)
 &rst
  ixpk= 2238, nxpk= 20, iat=1569,1552, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    87  LYS  HG-   118  VAL  HA        5.5   (#  2239:20 Unique)
 &rst
  ixpk= 2239, nxpk= 20, iat=  -1,1789, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1300,1301,
 &end
#
#     0  AMB  20-2:2240 118  VAL  HA        5.5   (#  2240:20 Single)
 &rst
  ixpk= 2240, nxpk= 20, iat=  -1,1789, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1809,1810,1811,1586,1587,1588,
 &end
#
#    25  ILE  HN     25  ILE  HA        5.5   (#  2241:20 Unique)
 &rst
  ixpk= 2241, nxpk= 20, iat= 365, 367, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  20-2:2242  25  ILE  HA        4.5   (#  2242:20 Single)
 &rst
  ixpk= 2242, nxpk= 20, iat=  -1, 367, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 375, 376, 369,
 &end
#
#     0  AMB  20-2:2243 119  THR  HA        2.8   (#  2243:20 Single)
 &rst
  ixpk= 2243, nxpk= 20, iat=  -1,1805, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1809,1810,1811,1586,1587,1588,
 &end
#
#   119  THR  HB    119  THR  HA        3.5   (#  2244:20 Unique)
 &rst
  ixpk= 2244, nxpk= 20, iat=1807,1805, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   120  TRP  HN    119  THR  HA        2.8   (#  2245:20 Unique)
 &rst
  ixpk= 2245, nxpk= 20, iat=1817,1805, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     0  AMB  20-2:2246  11  ASP  HA        5.5   (#  2246:20 Single)
 &rst
  ixpk= 2246, nxpk= 20, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 150, 644,
 &end
#
#    58  ASP  HN     55  ASP  HA        5.5   (#  2247:20 Unique)
 &rst
  ixpk= 2247, nxpk= 20, iat= 883, 833, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  20-2:2248  55  ASP  HA        5.5   (#  2248:20 Single)
 &rst
  ixpk= 2248, nxpk= 20, iat=  -1, 833, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 895, 749,
 &end
#
#     0  AMB  20-2:2249  55  ASP  HA        5.5   (#  2249:20 Single)
 &rst
  ixpk= 2249, nxpk= 20, iat=  -1, 833, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 762, 763, 764, 856, 857, 858,
 &end
#
#     0  AMB  20-2:2250 108  LYS  HA        5.5   (#  2250:20 Single)
 &rst
  ixpk= 2250, nxpk= 20, iat=  -1,1611, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
 igr1= 168, 169, 170, 172, 173, 174,1689,1690, 650, 651,
       652, 654, 655, 656,
 &end
#
#    61  SER  HB-    58  ASP  HA        5.5   (#  2251:20 Unique)
 &rst
  ixpk= 2251, nxpk= 20, iat=  -1, 885, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 937, 938,
 &end
#
#     0  AMB  20-2:2252   0  AMB  20-1:2252     5.5   (#  2252:20 Double)
 &rst
  ixpk= 2252, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1631, 917,
 igr2=1611, 885,
 &end
#
#     0  AMB  20-2:2253   0  AMB  20-1:2253     5.5   (#  2253:20 Double)
 &rst
  ixpk= 2253, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 933,1650,
 igr2= 885,1611,
 &end
#
#    21  LYS  HN     21  LYS  HA        5.5   (#  2254:20 Unique)
 &rst
  ixpk= 2254, nxpk= 20, iat= 287, 289, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    64  MET  HN     63  ASP  HA        5.5   (#  2255:20 Unique)
 &rst
  ixpk= 2255, nxpk= 20, iat= 963, 953, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    67  GLN  HE2+   64  MET  HA        5.5   (#  2256:20 Unique)
 &rst
  ixpk= 2256, nxpk= 20, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1031,1032,
 &end
#
#    66  LYS  HN     64  MET  HA        7.0   (#  2257:20 Unique)
 &rst
  ixpk= 2257, nxpk= 20, iat= 997, 965, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   105  SER  HN    102  HIS  HA        4.5   (#  2258:20 Unique)
 &rst
  ixpk= 2258, nxpk= 20, iat=1569,1525, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     0  AMB  20-2:2259   0  AMB  20-1:2259     5.5   (#  2259:20 Double)
 &rst
  ixpk= 2259, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1550, 791, 800,1496,
 igr2=1525, 770,
 &end
#
#    98  GLY  HN     97  TYR  HA        5.5   (#  2260:20 Unique)
 &rst
  ixpk= 2260, nxpk= 20, iat=1475,1456, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    26  ARG  HA     26  ARG  HB2        4.5   (#  2261:20 Single)
 &rst
  ixpk= 2261, nxpk= 20, iat= 386, 388, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    26  ARG  HB3    26  ARG  HA        4.5   (#  2262:20 Unique)
 &rst
  ixpk= 2262, nxpk= 20, iat= 389, 386, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    26  ARG  HG+    26  ARG  HA        5.5   (#  2263:20 Unique)
 &rst
  ixpk= 2263, nxpk= 20, iat=  -1, 386, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 391, 392,
 &end
#
#    54  ALA  MB     54  ALA  HA        2.8   (#  2264:20 Unique)
 &rst
  ixpk= 2264, nxpk= 20, iat=  -1, 823, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 825, 826, 827,
 &end
#
#    97  TYR  HE     54  ALA  HA        4.5   (#  2265:20 Unique)
 &rst
  ixpk= 2265, nxpk= 20, iat=  -1, 823, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1464,1469,
 &end
#
#    14  ILE  HN     13  ASP  HA        2.8   (#  2266:20 Unique)
 &rst
  ixpk= 2266, nxpk= 20, iat= 190, 180, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     0  AMB  20-2:2267  54  ALA  HA        5.5   (#  2267:20 Single)
 &rst
  ixpk= 2267, nxpk= 20, iat=  -1, 823, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 821, 883,
 &end
#
#     8  LEU  HA      7  ALA  MB         5.5   (#  2268:20 Unique)
 &rst
  ixpk= 2268, nxpk= 20, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  92,  93,  94,
 &end
#
#    48  LYS  HN     48  LYS  HA        4.5   (#  2269:20 Unique)
 &rst
  ixpk= 2269, nxpk= 20, iat= 712, 714, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    47  TYR  HN      0  AMB  20-1:2270     5.5   (#  2270:20 Single)
 &rst
  ixpk= 2270, nxpk= 20, iat= 691,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 693, 311,
 &end
#
#    22  TYR  HN     22  TYR  HA        5.5   (#  2271:20 Unique)
 &rst
  ixpk= 2271, nxpk= 20, iat= 309, 311, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   119  THR  HN     89  HIS  HA        4.5   (#  2272:20 Unique)
 &rst
  ixpk= 2272, nxpk= 20, iat=1803,1336, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    40  SER  HB3    28  HIS  HA        4.5   (#  2273:20 Unique)
 &rst
  ixpk= 2273, nxpk= 20, iat= 582, 426, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    69  CYS  HA     28  HIS  HA        7.0   (#  2274:20 Unique)
 &rst
  ixpk= 2274, nxpk= 20, iat=1045, 426, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    28  HIS  HA     40  SER  HN         5.5   (#  2275:20 Single)
 &rst
  ixpk= 2275, nxpk= 20, iat= 426, 577, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    28  HIS  HN     28  HIS  HA        3.5   (#  2276:20 Unique)
 &rst
  ixpk= 2276, nxpk= 20, iat= 424, 426, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    79  ILE  HN     78  ARG  HA        3.5   (#  2277:20 Unique)
 &rst
  ixpk= 2277, nxpk= 20, iat=1167,1145, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    21  LYS  HA     78  ARG  HA        5.5   (#  2278:20 Unique)
 &rst
  ixpk= 2278, nxpk= 20, iat= 289,1145, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    78  ARG  HG-    78  ARG  HA        7.0   (#  2279:20 Unique)
 &rst
  ixpk= 2279, nxpk= 20, iat=  -1,1145, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1150,1151,
 &end
#
#    78  ARG  HG+    78  ARG  HA        7.0   (#  2280:20 Unique)
 &rst
  ixpk= 2280, nxpk= 20, iat=  -1,1145, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1150,1151,
 &end
#
#    28  HIS  HB2    28  HIS  HA        3.5   (#  2282:20 Unique)
 &rst
  ixpk= 2282, nxpk= 20, iat= 428, 426, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    28  HIS  HB3    28  HIS  HA        2.8   (#  2283:20 Unique)
 &rst
  ixpk= 2283, nxpk= 20, iat= 429, 426, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    20  PHE  HB-    20  PHE  HA        3.5   (#  2284:20 Unique)
 &rst
  ixpk= 2284, nxpk= 20, iat=  -1, 269, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 271, 272,
 &end
#
#     6  LEU  MDX    28  HIS  HA        4.5   (#  2285:20 Unique)
 &rst
  ixpk= 2285, nxpk= 20, iat=  -1, 426, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  78,  79,  80,  82,  83,  84,
 &end
#
#     0  AMB  20-2:2286   0  AMB  20-1:2286     4.5   (#  2286:20 Double)
 &rst
  ixpk= 2286, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
 igr1= 257, 258, 259, 261, 262, 263, 414, 415, 416, 418,
       419, 420, 391, 392,
 igr2= 269, 426,
 &end
#
#     0  AMB  20-2:2287  26  ARG  HA        5.5   (#  2287:20 Single)
 &rst
  ixpk= 2287, nxpk= 20, iat=  -1, 386, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
 igr1=1112,1113,1114,1116,1117,1118, 631, 632, 633, 355,
       356, 357, 359, 360, 361,
 &end
#
#    43  ILE  HN     26  ARG  HA        5.5   (#  2288:20 Unique)
 &rst
  ixpk= 2288, nxpk= 20, iat= 625, 386, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  20-2:2289 120  TRP  HA        5.5   (#  2289:20 Single)
 &rst
  ixpk= 2289, nxpk= 20, iat=  -1,1819, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1528,1338,1339,
 &end
#
#     0  AMB  20-2:2290 120  TRP  HA        5.5   (#  2290:20 Single)
 &rst
  ixpk= 2290, nxpk= 20, iat=  -1,1819, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1371,1372,1527,
 &end
#
#     0  AMB  20-2:2291 120  TRP  HA        5.5   (#  2291:20 Single)
 &rst
  ixpk= 2291, nxpk= 20, iat=  -1,1819, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1845,1846,1847,1303,1304,
 &end
#
#   106  THR  MG2   120  TRP  HA        5.5   (#  2292:20 Unique)
 &rst
  ixpk= 2292, nxpk= 20, iat=  -1,1819, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1586,1587,1588,
 &end
#
#    90  VAL  MGX   120  TRP  HA        5.5   (#  2293:20 Unique)
 &rst
  ixpk= 2293, nxpk= 20, iat=  -1,1819, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1357,1358,1359,1361,1362,1363,
 &end
#
#    90  VAL  MGY   120  TRP  HA        7.0   (#  2294:20 Unique)
 &rst
  ixpk= 2294, nxpk= 20, iat=  -1,1819, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1357,1358,1359,1361,1362,1363,
 &end
#
#    89  HIS  HE1   120  TRP  HA        5.5   (#  2295:20 Unique)
 &rst
  ixpk= 2295, nxpk= 20, iat=1344,1819, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   120  TRP  HN    120  TRP  HA        5.5   (#  2296:20 Unique)
 &rst
  ixpk= 2296, nxpk= 20, iat=1817,1819, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   120  TRP  HA    120  TRP  HZ3        7.0   (#  2297:20 Unique)
 &rst
  ixpk= 2297, nxpk= 20, iat=1819,1834, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    82  GLN  HN     87  LYS  HA        5.5   (#  2298:20 Unique)
 &rst
  ixpk= 2298, nxpk= 20, iat=1214,1295, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    87  LYS  HG-    87  LYS  HA        5.5   (#  2299:20 Unique)
 &rst
  ixpk= 2299, nxpk= 20, iat=  -1,1295, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1300,1301,
 &end
#
#    87  LYS  HB-    87  LYS  HA        4.5   (#  2300:20 Unique)
 &rst
  ixpk= 2300, nxpk= 20, iat=  -1,1295, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1297,1298,
 &end
#
#    87  LYS  HB+    87  LYS  HA        5.5   (#  2301:20 Unique)
 &rst
  ixpk= 2301, nxpk= 20, iat=  -1,1295, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1297,1298,
 &end
#
#   106  THR  MG2   103  ALA  HA        5.5   (#  2302:20 Unique)
 &rst
  ixpk= 2302, nxpk= 20, iat=  -1,1542, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1586,1587,1588,
 &end
#
#   104  ILE  HN    103  ALA  HA        5.5   (#  2303:20 Unique)
 &rst
  ixpk= 2303, nxpk= 20, iat=1550,1542, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   103  ALA  HN    103  ALA  HA        4.5   (#  2304:20 Unique)
 &rst
  ixpk= 2304, nxpk= 20, iat=1540,1542, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   106  THR  HN    103  ALA  HA        5.5   (#  2305:20 Unique)
 &rst
  ixpk= 2305, nxpk= 20, iat=1580,1542, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    47  TYR  HD     48  LYS  HA        7.0   (#  2306:20 Unique)
 &rst
  ixpk= 2306, nxpk= 20, iat=  -1, 714, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 699, 708,
 &end
#
#   112  LYS  HN    111  ALA  HA        4.5   (#  2307:20 Unique)
 &rst
  ixpk= 2307, nxpk= 20, iat=1682,1674, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     7  ALA  HA      8  LEU  MDY        5.5   (#  2308:20 Single)
 &rst
  ixpk= 2308, nxpk= 20, iat=  90,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#     0  AMB  20-2:2309   0  AMB  20-1:2309     4.5   (#  2309:20 Double)
 &rst
  ixpk= 2309, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1657,1658, 598, 599,1660,1661,
 igr2=1674,  90,
 &end
#
#     0  AMB  20-2:2310   7  ALA  HA        5.5   (#  2310:20 Single)
 &rst
  ixpk= 2310, nxpk= 20, iat=  -1,  90, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  73, 102, 103,
 &end
#
#   110  LYS  HB+   111  ALA  HA        5.5   (#  2312:20 Unique)
 &rst
  ixpk= 2312, nxpk= 20, iat=  -1,1674, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1654,1655,
 &end
#
#     7  ALA  HA      6  LEU  HB2        7.0   (#  2313:20 Double)
 &rst
  ixpk= 2313, nxpk= 20, iat=  90,  73, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    32  ARG  HB+    32  ARG  HA        5.5   (#  2314:20 Unique)
 &rst
  ixpk= 2314, nxpk= 20, iat=  -1, 478, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 480, 481,
 &end
#
#    70  ASP  HB-    70  ASP  HA        3.5   (#  2315:20 Unique)
 &rst
  ixpk= 2315, nxpk= 20, iat=  -1,1056, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1058,1059,
 &end
#
#    70  ASP  HA     70  ASP  HB+        2.8   (#  2316:20 Single)
 &rst
  ixpk= 2316, nxpk= 20, iat=1056,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1058,1059,
 &end
#
#    70  ASP  HN     70  ASP  HA        3.5   (#  2317:20 Unique)
 &rst
  ixpk= 2317, nxpk= 20, iat=1054,1056, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    71  CYS  HN     70  ASP  HA        2.8   (#  2318:20 Unique)
 &rst
  ixpk= 2318, nxpk= 20, iat=1066,1056, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     5  ASP  HA      8  LEU  MDY        5.5   (#  2321:20 Single)
 &rst
  ixpk= 2321, nxpk= 20, iat=  59,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#     5  ASP  HA      4  ALA  MB         5.5   (#  2322:20 Single)
 &rst
  ixpk= 2322, nxpk= 20, iat=  59,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  51,  52,  53,
 &end
#
#     0  AMB  20-2:2323   5  ASP  HA        5.5   (#  2323:20 Single)
 &rst
  ixpk= 2323, nxpk= 20, iat=  -1,  59, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 463, 464,  71,
 &end
#
#     0  AMB  20-2:2324  24  LEU  HA        4.5   (#  2324:20 Single)
 &rst
  ixpk= 2324, nxpk= 20, iat=  -1, 348, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 650, 651, 652, 654, 655, 656,1500,1501,1502,1112,
      1113,1114,1116,1117,1118,
 &end
#
#    51  GLU  HB-    50  ALA  HA        5.5   (#  2325:20 Unique)
 &rst
  ixpk= 2325, nxpk= 20, iat=  -1, 760, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 772, 773,
 &end
#
#    76  GLY  HN    100  ALA  HA        5.5   (#  2326:20 Unique)
 &rst
  ixpk= 2326, nxpk= 20, iat=1129,1498, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   101  GLN  HB-   100  ALA  HA        5.5   (#  2327:20 Unique)
 &rst
  ixpk= 2327, nxpk= 20, iat=  -1,1498, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1510,1511,
 &end
#
#    10  PRO  HD-    10  PRO  HB+        4.5   (#  2328:20 Unique)
 &rst
  ixpk= 2328, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 137, 138,
 igr2= 143, 144,
 &end
#
#    10  PRO  HD+    10  PRO  HB+        5.5   (#  2329:20 Unique)
 &rst
  ixpk= 2329, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 137, 138,
 igr2= 143, 144,
 &end
#
#    10  PRO  HB-    10  PRO  HD+       5.5   (#  2330:20 Unique)
 &rst
  ixpk= 2330, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 143, 144,
 igr2= 137, 138,
 &end
#
#    47  TYR  HN     46  GLY  HA-       4.5   (#  2334:20 Unique)
 &rst
  ixpk= 2334, nxpk= 20, iat= 691,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 686, 687,
 &end
#
#    22  TYR  HA     46  GLY  HA-       5.5   (#  2335:20 Unique)
 &rst
  ixpk= 2335, nxpk= 20, iat= 311,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 686, 687,
 &end
#
#    56  ILE  QD1    46  GLY  HA-       4.5   (#  2336:20 Unique)
 &rst
  ixpk= 2336, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 856, 857, 858,
 igr2= 686, 687,
 &end
#
#    14  ILE  QG2    46  GLY  HA-       7.0   (#  2337:20 Unique)
 &rst
  ixpk= 2337, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 196, 197, 198,
 igr2= 686, 687,
 &end
#
#   102  HIS  HD2    77  GLY  HA+       7.0   (#  2338:20 Unique)
 &rst
  ixpk= 2338, nxpk= 20, iat=1536,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1138,1139,
 &end
#
#   102  HIS  HD2    77  GLY  HA-       5.5   (#  2339:20 Unique)
 &rst
  ixpk= 2339, nxpk= 20, iat=1536,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1138,1139,
 &end
#
#     0  AMB  20-2:2340   0  AMB  20-1:2340     5.5   (#  2340:20 Double)
 &rst
  ixpk= 2340, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 691,1536,
 igr2= 313, 314, 313, 314,
 &end
#
#     0  AMB  20-2:2341   0  AMB  20-1:2341     4.5   (#  2341:20 Double)
 &rst
  ixpk= 2341, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.10, r4=10.60,
 igr1= 856, 857, 858, 336, 337, 338, 340, 341, 342, 336,
       337, 338, 340, 341, 342, 292,
 igr2= 313, 314, 313, 314, 313, 314, 313, 314,
 &end
#
#    78  ARG  HA     78  ARG  HD+       5.5   (#  2342:20 Unique)
 &rst
  ixpk= 2342, nxpk= 20, iat=1145,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1153,1154,
 &end
#
#    78  ARG  HB+    78  ARG  HD+       5.5   (#  2344:20 Unique)
 &rst
  ixpk= 2344, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1147,1148,
 igr2=1153,1154,
 &end
#
#    91  TYR  HE     78  ARG  HD+       5.5   (#  2345:20 Unique)
 &rst
  ixpk= 2345, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1377,1382,
 igr2=1153,1154,
 &end
#
#    26  ARG  HE     26  ARG  HD+       5.5   (#  2347:20 Unique)
 &rst
  ixpk= 2347, nxpk= 20, iat= 397,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 394, 395,
 &end
#
#    28  HIS  HE1    26  ARG  HD+       5.5   (#  2348:20 Unique)
 &rst
  ixpk= 2348, nxpk= 20, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 394, 395,
 &end
#
#     0  AMB  20-2:2349   0  AMB  20-1:2349     5.5   (#  2349:20 Double)
 &rst
  ixpk= 2349, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1611, 999,
 igr2=1622,1623,1010,1011,
 &end
#
#     0  AMB  20-2:2350   0  AMB  20-1:2350     5.5   (#  2350:20 Double)
 &rst
  ixpk= 2350, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1684, 897,
 igr2=1695,1696, 908, 909,
 &end
#
#     0  AMB  20-2:2351   0  AMB  20-1:2351     5.5   (#  2351:20 Double)
 &rst
  ixpk= 2351, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=1809,1810,1811,1586,1587,1588,
 igr2=1663,1664,1663,1664,
 &end
#
#     0  AMB  20-2:2352   0  AMB  20-1:2352     5.5   (#  2352:20 Double)
 &rst
  ixpk= 2352, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
 igr1=1793,1794,1795,1797,1798,1799,1793,1794,1795,1797,
      1798,1799,
 igr2=1663,1664,1663,1664,
 &end
#
#   118  VAL  MGY   110  LYS  HE-       5.5   (#  2353:20 Unique)
 &rst
  ixpk= 2353, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1793,1794,1795,1797,1798,1799,
 igr2=1663,1664,
 &end
#
#     0  AMB  20-2:2354 110  LYS  HE-       5.5   (#  2354:20 Single)
 &rst
  ixpk= 2354, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1809,1810,1811,1586,1587,1588,
 igr2=1663,1664,
 &end
#
#   117  GLU  HA    110  LYS  HE+       5.5   (#  2355:20 Unique)
 &rst
  ixpk= 2355, nxpk= 20, iat=1774,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1663,1664,
 &end
#
#   117  GLU  HA    110  LYS  HE-       5.5   (#  2356:20 Unique)
 &rst
  ixpk= 2356, nxpk= 20, iat=1774,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1663,1664,
 &end
#
#   107  GLU  HA    110  LYS  HE+       7.0   (#  2357:20 Unique)
 &rst
  ixpk= 2357, nxpk= 20, iat=1596,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1663,1664,
 &end
#
#     0  AMB  20-2:2358   0  AMB  20-1:2358     7.0   (#  2358:20 Double)
 &rst
  ixpk= 2358, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
 igr1=1609,1019,
 igr2=1622,1623,1010,1011,
 &end
#
#    45  ARG  HD-    13  ASP  HB2       5.5   (#  2360:20 Unique)
 &rst
  ixpk= 2360, nxpk= 20, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 670, 671,
 &end
#
#     6  LEU  HN      5  ASP  HB+       5.5   (#  2361:20 Unique)
 &rst
  ixpk= 2361, nxpk= 20, iat=  69,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  61,  62,
 &end
#
#     0  AMB  20-2:2362   0  AMB  20-1:2362     5.5   (#  2362:20 Double)
 &rst
  ixpk= 2362, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
 igr1= 166, 592, 593, 592, 593,
 igr2= 154, 155, 154, 155, 154, 155,
 &end
#
#    74  LEU  HN     74  LEU  HB3       5.5   (#  2363:20 Unique)
 &rst
  ixpk= 2363, nxpk= 20, iat=1103,1108, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    43  ILE  HG1+   43  ILE  HB        5.5   (#  2364:20 Unique)
 &rst
  ixpk= 2364, nxpk= 20, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 635, 636,
 &end
#
#    75  GLY  HA+    97  TYR  HB+       5.5   (#  2365:20 Unique)
 &rst
  ixpk= 2365, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1124,1125,
 igr2=1458,1459,
 &end
#
#    75  GLY  HA-    97  TYR  HB+       5.5   (#  2366:20 Unique)
 &rst
  ixpk= 2366, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1124,1125,
 igr2=1458,1459,
 &end
#
#    54  ALA  MB     52  TYR  HB-       4.5   (#  2367:20 Unique)
 &rst
  ixpk= 2367, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 825, 826, 827,
 igr2= 787, 788,
 &end
#
#    64  MET  ME     63  ASP  HB3       5.5   (#  2368:20 Unique)
 &rst
  ixpk= 2368, nxpk= 20, iat=  -1, 956, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 974, 975, 976,
 &end
#
#    64  MET  ME     63  ASP  HB2       4.5   (#  2369:20 Unique)
 &rst
  ixpk= 2369, nxpk= 20, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 974, 975, 976,
 &end
#
#    54  ALA  MB     52  TYR  HB+       4.5   (#  2370:20 Unique)
 &rst
  ixpk= 2370, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 825, 826, 827,
 igr2= 787, 788,
 &end
#
#    93  TYR  HA     93  TYR  HB+       5.5   (#  2371:20 Unique)
 &rst
  ixpk= 2371, nxpk= 20, iat=1397,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1399,1400,
 &end
#
#    99  PRO  HG-    93  TYR  HB+       7.0   (#  2372:20 Unique)
 &rst
  ixpk= 2372, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1486,1487,
 igr2=1399,1400,
 &end
#
#    99  PRO  HA     93  TYR  HB+       5.5   (#  2373:20 Unique)
 &rst
  ixpk= 2373, nxpk= 20, iat=1492,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1399,1400,
 &end
#
#    98  GLY  HN     97  TYR  HB+       5.5   (#  2374:20 Unique)
 &rst
  ixpk= 2374, nxpk= 20, iat=1475,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1458,1459,
 &end
#
#    21  LYS  HN     20  PHE  HB-       5.5   (#  2375:20 Unique)
 &rst
  ixpk= 2375, nxpk= 20, iat= 287,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 271, 272,
 &end
#
#    60  VAL  MGX    63  ASP  HB3       5.5   (#  2376:20 Unique)
 &rst
  ixpk= 2376, nxpk= 20, iat=  -1, 956, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 923, 924, 925, 927, 928, 929,
 &end
#
#     6  LEU  HA      9  ILE  HB        5.5   (#  2377:20 Unique)
 &rst
  ixpk= 2377, nxpk= 20, iat=  71, 121, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   122  ASN  HN    122  ASN  HB+       7.0   (#  2378:20 Unique)
 &rst
  ixpk= 2378, nxpk= 20, iat=1851,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1855,1856,
 &end
#
#   122  ASN  HD2-  122  ASN  HB+       5.5   (#  2379:20 Unique)
 &rst
  ixpk= 2379, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1860,1861,
 igr2=1855,1856,
 &end
#
#   123  ASP  HN    122  ASN  HB-       7.0   (#  2382:20 Unique)
 &rst
  ixpk= 2382, nxpk= 20, iat=1865,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1855,1856,
 &end
#
#    91  TYR  HN     91  TYR  HB-       5.5   (#  2383:20 Unique)
 &rst
  ixpk= 2383, nxpk= 20, iat=1367,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1371,1372,
 &end
#
#     0  AMB  20-2:2384  57  TYR  HB2       4.5   (#  2384:20 Single)
 &rst
  ixpk= 2384, nxpk= 20, iat=  -1, 866, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 883, 821,
 &end
#
#    91  TYR  HN     91  TYR  HB+       5.5   (#  2385:20 Unique)
 &rst
  ixpk= 2385, nxpk= 20, iat=1367,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1371,1372,
 &end
#
#   110  LYS  HN    109  ILE  HB        5.5   (#  2386:20 Unique)
 &rst
  ixpk= 2386, nxpk= 20, iat=1650,1635, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    43  ILE  HN     42  GLU  HG+       5.5   (#  2387:20 Unique)
 &rst
  ixpk= 2387, nxpk= 20, iat= 625,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 617, 618,
 &end
#
#    27  VAL  HN     42  GLU  HG-       5.5   (#  2388:20 Unique)
 &rst
  ixpk= 2388, nxpk= 20, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 617, 618,
 &end
#
#    42  GLU  HG-    41  LYS  HA         7.0   (#  2390:20 Unique)
 &rst
  ixpk= 2390, nxpk= 20, iat=  -1, 590, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 617, 618,
 &end
#
#    87  LYS  HE+    87  LYS  HB-       5.5   (#  2392:20 Unique)
 &rst
  ixpk= 2392, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1306,1307,
 igr2=1297,1298,
 &end
#
#     0  AMB  20-2:2393   0  AMB  20-1:2393     5.5   (#  2393:20 Double)
 &rst
  ixpk= 2393, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 793, 798, 751,
 igr2= 775, 776, 775, 776,
 &end
#
#    52  TYR  HD     51  GLU  HG-       5.5   (#  2394:20 Unique)
 &rst
  ixpk= 2394, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 791, 800,
 igr2= 775, 776,
 &end
#
#    50  ALA  HA     51  GLU  HG-       7.0   (#  2398:20 Unique)
 &rst
  ixpk= 2398, nxpk= 20, iat= 760,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 775, 776,
 &end
#
#     0  AMB  20-2:2399  51  GLU  HG-       7.0   (#  2399:20 Single)
 &rst
  ixpk= 2399, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 793, 798, 751,
 igr2= 775, 776,
 &end
#
#    41  LYS  HG+    41  LYS  HB+       5.5   (#  2400:20 Unique)
 &rst
  ixpk= 2400, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 595, 596,
 igr2= 592, 593,
 &end
#
#    70  ASP  HA     65  GLN  HG+       7.0   (#  2401:20 Unique)
 &rst
  ixpk= 2401, nxpk= 20, iat=1056,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 987, 988,
 &end
#
#    70  ASP  HA     65  GLN  HG-       7.0   (#  2402:20 Unique)
 &rst
  ixpk= 2402, nxpk= 20, iat=1056,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 987, 988,
 &end
#
#    65  GLN  HE2-   65  GLN  HG-       5.5   (#  2403:20 Unique)
 &rst
  ixpk= 2403, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 992, 993,
 igr2= 987, 988,
 &end
#
#    71  CYS  HA     72  GLU  HB+       7.0   (#  2404:20 Unique)
 &rst
  ixpk= 2404, nxpk= 20, iat=1068,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1081,1082,
 &end
#
#    71  CYS  HA     72  GLU  HB-       5.5   (#  2405:20 Unique)
 &rst
  ixpk= 2405, nxpk= 20, iat=1068,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1081,1082,
 &end
#
#    56  ILE  HG1+   21  LYS  HB2       5.5   (#  2406:20 Unique)
 &rst
  ixpk= 2406, nxpk= 20, iat=  -1, 291, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 853, 854,
 &end
#
#    22  TYR  HN     21  LYS  HB2       7.0   (#  2408:20 Unique)
 &rst
  ixpk= 2408, nxpk= 20, iat= 309, 291, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   104  ILE  HG1+  101  GLN  HG-       5.5   (#  2410:20 Unique)
 &rst
  ixpk= 2410, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1560,1561,
 igr2=1513,1514,
 &end
#
#   104  ILE  HG1+  101  GLN  HG+       5.5   (#  2411:20 Unique)
 &rst
  ixpk= 2411, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1560,1561,
 igr2=1513,1514,
 &end
#
#    28  HIS  HN     28  HIS  HB3       5.5   (#  2412:20 Unique)
 &rst
  ixpk= 2412, nxpk= 20, iat= 424, 429, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    70  ASP  HN     28  HIS  HB2       5.5   (#  2413:20 Unique)
 &rst
  ixpk= 2413, nxpk= 20, iat=1054, 428, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  20-2:2414  28  HIS  HB3       5.5   (#  2414:20 Single)
 &rst
  ixpk= 2414, nxpk= 20, iat=  -1, 429, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1054, 452,
 &end
#
#   120  TRP  HB+   120  TRP  HZ3        5.5   (#  2415:20 Unique)
 &rst
  ixpk= 2415, nxpk= 20, iat=  -1,1834, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1821,1822,
 &end
#
#   120  TRP  HD1   120  TRP  HB+       5.5   (#  2416:20 Unique)
 &rst
  ixpk= 2416, nxpk= 20, iat=1825,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1821,1822,
 &end
#
#    61  SER  HN     60  VAL  HB        3.5   (#  2417:20 Unique)
 &rst
  ixpk= 2417, nxpk= 20, iat= 933, 921, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   110  LYS  HN    110  LYS  HB+       4.5   (#  2418:20 Unique)
 &rst
  ixpk= 2418, nxpk= 20, iat=1650,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1654,1655,
 &end
#
#   111  ALA  HN    110  LYS  HB+       5.5   (#  2419:20 Unique)
 &rst
  ixpk= 2419, nxpk= 20, iat=1672,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1654,1655,
 &end
#
#     0  AMB  20-2:2420   0  AMB  20-1:2420     3.5   (#  2420:20 Double)
 &rst
  ixpk= 2420, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1652,1596,
 igr2=1654,1655,1654,1655,
 &end
#
#   107  GLU  HG+   110  LYS  HB+       7.0   (#  2421:20 Unique)
 &rst
  ixpk= 2421, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1601,1602,
 igr2=1654,1655,
 &end
#
#     0  AMB  20-2:2422   0  AMB  20-1:2422     3.5   (#  2422:20 Double)
 &rst
  ixpk= 2422, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1657,1658,1660,1661,
 igr2=1654,1655,1654,1655,
 &end
#
#    56  ILE  HA     59  LYS  HB-       7.0   (#  2424:20 Unique)
 &rst
  ixpk= 2424, nxpk= 20, iat= 845,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 899, 900,
 &end
#
#    56  ILE  HA      0  AMB  20-1:2425     5.5   (#  2425:20 Single)
 &rst
  ixpk= 2425, nxpk= 20, iat= 845,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 899, 900, 899, 900,
 &end
#
#     0  AMB  20-2:2426   0  AMB  20-1:2426     5.5   (#  2426:20 Double)
 &rst
  ixpk= 2426, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1584,1525,
 igr2=1821,1822,1821,1822,
 &end
#
#    69  CYS  HB2    64  MET  HB3       4.5   (#  2427:20 Unique)
 &rst
  ixpk= 2427, nxpk= 20, iat=1047, 968, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    27  VAL  MGY    64  MET  HB3       3.5   (#  2428:20 Unique)
 &rst
  ixpk= 2428, nxpk= 20, iat=  -1, 968, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 414, 415, 416, 418, 419, 420,
 &end
#
#    26  ARG  HA     26  ARG  HB3       5.5   (#  2429:20 Unique)
 &rst
  ixpk= 2429, nxpk= 20, iat= 386, 389, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    10  PRO  HB+    10  PRO  HD-        5.5   (#  2430:20 Unique)
 &rst
  ixpk= 2430, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 143, 144,
 igr2= 137, 138,
 &end
#
#    26  ARG  HN     26  ARG  HB3       5.5   (#  2431:20 Unique)
 &rst
  ixpk= 2431, nxpk= 20, iat= 384, 389, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   109  ILE  HN    108  LYS  HB3       5.5   (#  2432:20 Unique)
 &rst
  ixpk= 2432, nxpk= 20, iat=1631,1614, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    64  MET  HN     64  MET  HB3       7.0   (#  2433:20 Unique)
 &rst
  ixpk= 2433, nxpk= 20, iat= 963, 968, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    65  GLN  HN     64  MET  HB3       5.5   (#  2434:20 Unique)
 &rst
  ixpk= 2434, nxpk= 20, iat= 980, 968, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    65  GLN  HN     64  MET  HB2       5.5   (#  2435:20 Unique)
 &rst
  ixpk= 2435, nxpk= 20, iat= 980, 967, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    64  MET  HN     64  MET  HB2       5.5   (#  2436:20 Unique)
 &rst
  ixpk= 2436, nxpk= 20, iat= 963, 967, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    35  ALA  MB     31  PRO  HB+       5.5   (#  2437:20 Unique)
 &rst
  ixpk= 2437, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 522, 523, 524,
 igr2= 469, 470,
 &end
#
#    36  PRO  HB+    36  PRO  HD+        4.5   (#  2438:20 Double)
 &rst
  ixpk= 2438, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 535, 536,
 igr2= 529, 530,
 &end
#
#     4  ALA  HN     31  PRO  HB+       5.5   (#  2439:20 Unique)
 &rst
  ixpk= 2439, nxpk= 20, iat=  47,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 469, 470,
 &end
#
#    10  PRO  HB-    10  PRO  HD-        5.5   (#  2440:20 Unique)
 &rst
  ixpk= 2440, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 143, 144,
 igr2= 137, 138,
 &end
#
#    61  SER  HA     64  MET  HB2       5.5   (#  2443:20 Unique)
 &rst
  ixpk= 2443, nxpk= 20, iat= 935, 967, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    26  ARG  HN     26  ARG  HB2       5.5   (#  2444:20 Unique)
 &rst
  ixpk= 2444, nxpk= 20, iat= 384, 388, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   120  TRP  HZ3   102  HIS  HB2       5.5   (#  2445:20 Unique)
 &rst
  ixpk= 2445, nxpk= 20, iat=1834,1527, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   102  HIS  HN    102  HIS  HB2       5.5   (#  2446:20 Unique)
 &rst
  ixpk= 2446, nxpk= 20, iat=1523,1527, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   102  HIS  HA    102  HIS  HB2       5.5   (#  2447:20 Unique)
 &rst
  ixpk= 2447, nxpk= 20, iat=1525,1527, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   120  TRP  HB+   102  HIS  HB2       4.5   (#  2448:20 Unique)
 &rst
  ixpk= 2448, nxpk= 20, iat=  -1,1527, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1821,1822,
 &end
#
#    90  VAL  MGX   102  HIS  HB2       5.5   (#  2449:20 Unique)
 &rst
  ixpk= 2449, nxpk= 20, iat=  -1,1527, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1357,1358,1359,1361,1362,1363,
 &end
#
#    97  TYR  HE     53  HIS  HB-       5.5   (#  2450:20 Unique)
 &rst
  ixpk= 2450, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1464,1469,
 igr2= 808, 809,
 &end
#
#    97  TYR  HD     53  HIS  HB-       7.0   (#  2451:20 Unique)
 &rst
  ixpk= 2451, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1462,1471,
 igr2= 808, 809,
 &end
#
#    97  TYR  HE     53  HIS  HB+       5.5   (#  2452:20 Unique)
 &rst
  ixpk= 2452, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1464,1469,
 igr2= 808, 809,
 &end
#
#    87  LYS  HA    117  GLU  HB+       5.5   (#  2453:20 Unique)
 &rst
  ixpk= 2453, nxpk= 20, iat=1295,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1776,1777,
 &end
#
#    12  VAL  MGY   109  ILE  HG1+      5.5   (#  2454:20 Unique)
 &rst
  ixpk= 2454, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 168, 169, 170, 172, 173, 174,
 igr2=1641,1642,
 &end
#
#    87  LYS  HD-   117  GLU  HB-       5.5   (#  2455:20 Unique)
 &rst
  ixpk= 2455, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1303,1304,
 igr2=1776,1777,
 &end
#
#    87  LYS  HD+   117  GLU  HB-       5.5   (#  2456:20 Unique)
 &rst
  ixpk= 2456, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1303,1304,
 igr2=1776,1777,
 &end
#
#   119  THR  MG2   117  GLU  HB-       5.5   (#  2457:20 Unique)
 &rst
  ixpk= 2457, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1809,1810,1811,
 igr2=1776,1777,
 &end
#
#     0  AMB  20-2:2458   0  AMB  20-1:2458     5.5   (#  2458:20 Double)
 &rst
  ixpk= 2458, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 762, 763, 764,1793,1794,1795,1797,1798,1799,
 igr2= 772, 773,1776,1777,
 &end
#
#   109  ILE  HN    109  ILE  HG1-      5.5   (#  2459:20 Unique)
 &rst
  ixpk= 2459, nxpk= 20, iat=1631,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1641,1642,
 &end
#
#   109  ILE  HA    109  ILE  HG1+      5.5   (#  2460:20 Unique)
 &rst
  ixpk= 2460, nxpk= 20, iat=1633,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1641,1642,
 &end
#
#    90  VAL  MGX    79  ILE  HG1-      5.5   (#  2461:20 Unique)
 &rst
  ixpk= 2461, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1357,1358,1359,1361,1362,1363,
 igr2=1177,1178,
 &end
#
#    90  VAL  MGY    79  ILE  HG1-      7.0   (#  2462:20 Unique)
 &rst
  ixpk= 2462, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1=1357,1358,1359,1361,1362,1363,
 igr2=1177,1178,
 &end
#
#    56  ILE  HB     56  ILE  HG1+      5.5   (#  2463:20 Unique)
 &rst
  ixpk= 2463, nxpk= 20, iat= 847,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 853, 854,
 &end
#
#    79  ILE  HA     79  ILE  HG1+      5.5   (#  2464:20 Unique)
 &rst
  ixpk= 2464, nxpk= 20, iat=1169,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1177,1178,
 &end
#
#    49  TRP  HD1    49  TRP  HB-       4.5   (#  2465:20 Unique)
 &rst
  ixpk= 2465, nxpk= 20, iat= 742,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 738, 739,
 &end
#
#    49  TRP  HE3    49  TRP  HB-       5.5   (#  2466:20 Unique)
 &rst
  ixpk= 2466, nxpk= 20, iat= 753,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 738, 739,
 &end
#
#     0  AMB  20-2:2468   0  AMB  20-1:2468     5.5   (#  2468:20 Double)
 &rst
  ixpk= 2468, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.25, r4=10.75,
 igr1=1676,1677,1678,1560,1561,1619,1620,
 igr2=1598,1599,1598,1599,1598,1599,
 &end
#
#    49  TRP  HE3    49  TRP  HB+       4.5   (#  2469:20 Unique)
 &rst
  ixpk= 2469, nxpk= 20, iat= 753,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 738, 739,
 &end
#
#     0  AMB  20-2:2470  65  GLN  HB3       5.5   (#  2470:20 Single)
 &rst
  ixpk= 2470, nxpk= 20, iat=  -1, 985, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 999,1038,1039,
 &end
#
#    62  GLY  HA+    65  GLN  HB3       5.5   (#  2471:20 Unique)
 &rst
  ixpk= 2471, nxpk= 20, iat=  -1, 985, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 946, 947,
 &end
#
#    62  GLY  HA+    65  GLN  HB2       5.5   (#  2472:20 Unique)
 &rst
  ixpk= 2472, nxpk= 20, iat=  -1, 984, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 946, 947,
 &end
#
#     0  AMB  20-2:2473  65  GLN  HB2       5.5   (#  2473:20 Single)
 &rst
  ixpk= 2473, nxpk= 20, iat=  -1, 984, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 999, 935,
 &end
#
#    65  GLN  HB2    66  LYS  HB+        5.5   (#  2475:20 Unique)
 &rst
  ixpk= 2475, nxpk= 20, iat= 984,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1001,1002,
 &end
#
#    64  MET  HN     65  GLN  HB3       7.0   (#  2476:20 Unique)
 &rst
  ixpk= 2476, nxpk= 20, iat= 963, 985, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    64  MET  HN     65  GLN  HB2       5.5   (#  2477:20 Unique)
 &rst
  ixpk= 2477, nxpk= 20, iat= 963, 984, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    57  TYR  HE     25  ILE  HG1+      7.0   (#  2478:20 Unique)
 &rst
  ixpk= 2478, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 872, 877,
 igr2= 375, 376,
 &end
#
#    78  ARG  HA     78  ARG  HG+       7.0   (#  2479:20 Unique)
 &rst
  ixpk= 2479, nxpk= 20, iat=1145,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1150,1151,
 &end
#
#    78  ARG  HA     78  ARG  HG-       5.5   (#  2480:20 Unique)
 &rst
  ixpk= 2480, nxpk= 20, iat=1145,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1150,1151,
 &end
#
#   108  LYS  HE-   108  LYS  HD-       3.5   (#  2481:20 Unique)
 &rst
  ixpk= 2481, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1622,1623,
 igr2=1619,1620,
 &end
#
#    89  HIS  HB+    87  LYS  HD-       5.5   (#  2482:20 Unique)
 &rst
  ixpk= 2482, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1338,1339,
 igr2=1303,1304,
 &end
#
#    87  LYS  HG+    87  LYS  HD+       3.5   (#  2483:20 Unique)
 &rst
  ixpk= 2483, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1300,1301,
 igr2=1303,1304,
 &end
#
#    87  LYS  HG+    87  LYS  HD-       2.8   (#  2484:20 Unique)
 &rst
  ixpk= 2484, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1300,1301,
 igr2=1303,1304,
 &end
#
#    87  LYS  HG-    87  LYS  HD+       3.5   (#  2485:20 Unique)
 &rst
  ixpk= 2485, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1300,1301,
 igr2=1303,1304,
 &end
#
#    87  LYS  HG-    87  LYS  HD-       2.8   (#  2486:20 Unique)
 &rst
  ixpk= 2486, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1300,1301,
 igr2=1303,1304,
 &end
#
#   106  THR  HN    107  GLU  HB+       5.5   (#  2487:20 Unique)
 &rst
  ixpk= 2487, nxpk= 20, iat=1580,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1598,1599,
 &end
#
#    57  TYR  HE     73  CYS  HB-       5.5   (#  2488:20 Unique)
 &rst
  ixpk= 2488, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 872, 877,
 igr2=1096,1097,
 &end
#
#    74  LEU  HN     73  CYS  HB+       5.5   (#  2489:20 Unique)
 &rst
  ixpk= 2489, nxpk= 20, iat=1103,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1096,1097,
 &end
#
#    97  TYR  HD     73  CYS  HB+       5.5   (#  2490:20 Unique)
 &rst
  ixpk= 2490, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1462,1471,
 igr2=1096,1097,
 &end
#
#    57  TYR  HE     73  CYS  HB+       7.0   (#  2491:20 Unique)
 &rst
  ixpk= 2491, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 872, 877,
 igr2=1096,1097,
 &end
#
#    99  PRO  HA     99  PRO  HG-       7.0   (#  2492:20 Unique)
 &rst
  ixpk= 2492, nxpk= 20, iat=1492,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1486,1487,
 &end
#
#     5  ASP  HB-     8  LEU  HG        5.5   (#  2493:20 Unique)
 &rst
  ixpk= 2493, nxpk= 20, iat=  -1, 105, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  61,  62,
 &end
#
#    43  ILE  HN     43  ILE  HG1-      5.5   (#  2494:20 Unique)
 &rst
  ixpk= 2494, nxpk= 20, iat= 625,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 635, 636,
 &end
#
#    43  ILE  HN     43  ILE  HG1+      5.5   (#  2495:20 Unique)
 &rst
  ixpk= 2495, nxpk= 20, iat= 625,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 635, 636,
 &end
#
#    26  ARG  HA      0  AMB  20-1:2496     5.5   (#  2496:20 Single)
 &rst
  ixpk= 2496, nxpk= 20, iat= 386,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr2=1112,1113,1114,1116,1117,1118, 355, 356, 357, 359,
       360, 361,
 &end
#
#   108  LYS  HB2   108  LYS  HG+       3.5   (#  2497:20 Unique)
 &rst
  ixpk= 2497, nxpk= 20, iat=1613,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1616,1617,
 &end
#
#   104  ILE  QG2   108  LYS  HG+       4.5   (#  2498:20 Unique)
 &rst
  ixpk= 2498, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1556,1557,1558,
 igr2=1616,1617,
 &end
#
#   117  GLU  HB+    87  LYS  HG-       4.5   (#  2500:20 Unique)
 &rst
  ixpk= 2500, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1776,1777,
 igr2=1300,1301,
 &end
#
#    87  LYS  HB+    87  LYS  HG-       4.5   (#  2503:20 Unique)
 &rst
  ixpk= 2503, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1297,1298,
 igr2=1300,1301,
 &end
#
#    60  VAL  MGY    59  LYS  HG+       4.5   (#  2504:20 Unique)
 &rst
  ixpk= 2504, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 923, 924, 925, 927, 928, 929,
 igr2= 902, 903,
 &end
#
#   108  LYS  HE-   108  LYS  HG-       5.5   (#  2505:20 Unique)
 &rst
  ixpk= 2505, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1622,1623,
 igr2=1616,1617,
 &end
#
#     0  AMB  20-2:2506 108  LYS  HG-       4.5   (#  2506:20 Single)
 &rst
  ixpk= 2506, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1556,1557,1558, 650, 651, 652, 654, 655, 656,
 igr2=1616,1617,
 &end
#
#    60  VAL  HN     59  LYS  HG+       5.5   (#  2507:20 Unique)
 &rst
  ixpk= 2507, nxpk= 20, iat= 917,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 902, 903,
 &end
#
#    26  ARG  HD+    74  LEU  MDX       5.5   (#  2509:20 Unique)
 &rst
  ixpk= 2509, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 394, 395,
 igr2=1112,1113,1114,1116,1117,1118,
 &end
#
#   102  HIS  HD2    24  LEU  MDX       5.5   (#  2510:20 Unique)
 &rst
  ixpk= 2510, nxpk= 20, iat=1536,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 355, 356, 357, 359, 360, 361,
 &end
#
#   112  LYS  HN    112  LYS  HG+       7.0   (#  2511:20 Unique)
 &rst
  ixpk= 2511, nxpk= 20, iat=1682,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1689,1690,
 &end
#
#    87  LYS  HA     87  LYS  HG-       5.5   (#  2512:20 Unique)
 &rst
  ixpk= 2512, nxpk= 20, iat=1295,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1300,1301,
 &end
#
#    39  GLU  HB+     6  LEU  MDY       5.5   (#  2513:20 Unique)
 &rst
  ixpk= 2513, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 566, 567,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#    41  LYS  HN      6  LEU  MDY       5.5   (#  2514:20 Unique)
 &rst
  ixpk= 2514, nxpk= 20, iat= 588,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#     6  LEU  MDY    40  SER  HN         7.0   (#  2515:20 Single)
 &rst
  ixpk= 2515, nxpk= 20, iat=  -1, 577, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=  78,  79,  80,  82,  83,  84,
 &end
#
#     6  LEU  MDY     7  ALA  HN         7.0   (#  2516:20 Single)
 &rst
  ixpk= 2516, nxpk= 20, iat=  -1,  88, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=  78,  79,  80,  82,  83,  84,
 &end
#
#   112  LYS  HD-    12  VAL  MGY       4.5   (#  2517:20 Unique)
 &rst
  ixpk= 2517, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1692,1693,
 igr2= 168, 169, 170, 172, 173, 174,
 &end
#
#    41  LYS  HD+    41  LYS  HG+       4.5   (#  2518:20 Unique)
 &rst
  ixpk= 2518, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 598, 599,
 igr2= 595, 596,
 &end
#
#     6  LEU  MDX    41  LYS  HG+       3.5   (#  2519:20 Unique)
 &rst
  ixpk= 2519, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=  78,  79,  80,  82,  83,  84,
 igr2= 595, 596,
 &end
#
#   105  SER  HN     24  LEU  MDY       7.0   (#  2521:20 Unique)
 &rst
  ixpk= 2521, nxpk= 20, iat=1569,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2= 355, 356, 357, 359, 360, 361,
 &end
#
#     0  AMB  20-2:2522  60  VAL  MGX       5.5   (#  2522:20 Single)
 &rst
  ixpk= 2522, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 956,1070,
 igr2= 923, 924, 925, 927, 928, 929,
 &end
#
#    60  VAL  MGX    57  TYR  HB-        5.5   (#  2523:20 Unique)
 &rst
  ixpk= 2523, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 923, 924, 925, 927, 928, 929,
 igr2= 866, 867,
 &end
#
#     0  AMB  20-2:2524  74  LEU  MDY       5.5   (#  2524:20 Single)
 &rst
  ixpk= 2524, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 394, 395, 394, 395,
 igr2=1112,1113,1114,1116,1117,1118,
 &end
#
#     0  AMB  20-2:2525  90  VAL  MGY       5.5   (#  2525:20 Single)
 &rst
  ixpk= 2525, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=1821,1822, 313, 314,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#     0  AMB  20-2:2526  44  VAL  MGX       5.5   (#  2526:20 Single)
 &rst
  ixpk= 2526, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 627, 662,
 igr2= 650, 651, 652, 654, 655, 656,
 &end
#
#   105  SER  HB3    44  VAL  MGX       5.5   (#  2527:20 Unique)
 &rst
  ixpk= 2527, nxpk= 20, iat=1574,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 650, 651, 652, 654, 655, 656,
 &end
#
#   105  SER  HA     44  VAL  MGX       7.0   (#  2528:20 Unique)
 &rst
  ixpk= 2528, nxpk= 20, iat=1571,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2= 650, 651, 652, 654, 655, 656,
 &end
#
#   109  ILE  QD1    44  VAL  MGX       3.5   (#  2529:20 Unique)
 &rst
  ixpk= 2529, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1644,1645,1646,
 igr2= 650, 651, 652, 654, 655, 656,
 &end
#
#    26  ARG  HN     74  LEU  MDY       5.5   (#  2531:20 Unique)
 &rst
  ixpk= 2531, nxpk= 20, iat= 384,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1112,1113,1114,1116,1117,1118,
 &end
#
#   102  HIS  HD2    44  VAL  MGY       5.5   (#  2532:20 Unique)
 &rst
  ixpk= 2532, nxpk= 20, iat=1536,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 650, 651, 652, 654, 655, 656,
 &end
#
#   108  LYS  HN     44  VAL  MGY       5.5   (#  2533:20 Unique)
 &rst
  ixpk= 2533, nxpk= 20, iat=1609,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 650, 651, 652, 654, 655, 656,
 &end
#
#    91  TYR  HE     19  VAL  MGX       5.5   (#  2534:20 Unique)
 &rst
  ixpk= 2534, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1377,1382,
 igr2= 257, 258, 259, 261, 262, 263,
 &end
#
#    91  TYR  HD     19  VAL  MGY       7.0   (#  2535:20 Unique)
 &rst
  ixpk= 2535, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1=1375,1384,
 igr2= 257, 258, 259, 261, 262, 263,
 &end
#
#    91  TYR  HE     19  VAL  MGY       7.0   (#  2536:20 Unique)
 &rst
  ixpk= 2536, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1=1377,1382,
 igr2= 257, 258, 259, 261, 262, 263,
 &end
#
#    22  TYR  HD     44  VAL  MGX       5.5   (#  2537:20 Unique)
 &rst
  ixpk= 2537, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 317, 326,
 igr2= 650, 651, 652, 654, 655, 656,
 &end
#
#    22  TYR  HE     44  VAL  MGX       5.5   (#  2538:20 Unique)
 &rst
  ixpk= 2538, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 319, 324,
 igr2= 650, 651, 652, 654, 655, 656,
 &end
#
#    12  VAL  HA     44  VAL  MGX       4.5   (#  2539:20 Unique)
 &rst
  ixpk= 2539, nxpk= 20, iat= 164,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 650, 651, 652, 654, 655, 656,
 &end
#
#    47  TYR  HN     50  ALA  MB        5.5   (#  2541:20 Unique)
 &rst
  ixpk= 2541, nxpk= 20, iat= 691,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 762, 763, 764,
 &end
#
#     0  AMB  20-2:2542  50  ALA  MB        4.5   (#  2542:20 Single)
 &rst
  ixpk= 2542, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 753, 831,
 igr2= 762, 763, 764,
 &end
#
#    60  VAL  HN     56  ILE  QG2       7.0   (#  2543:20 Unique)
 &rst
  ixpk= 2543, nxpk= 20, iat= 917,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 849, 850, 851,
 &end
#
#    22  TYR  HA     56  ILE  QG2       5.5   (#  2544:20 Unique)
 &rst
  ixpk= 2544, nxpk= 20, iat= 311,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 849, 850, 851,
 &end
#
#     0  AMB  20-2:2545  56  ILE  QG2       7.0   (#  2545:20 Single)
 &rst
  ixpk= 2545, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 867, 836,
 igr2= 849, 850, 851,
 &end
#
#     0  AMB  20-2:2546 100  ALA  MB        7.0   (#  2546:20 Single)
 &rst
  ixpk= 2546, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.33, r4=11.83,
 igr1=1513,1514,1486,1487, 313, 314,
 igr2=1500,1501,1502,
 &end
#
#    74  LEU  HB3   100  ALA  MB        7.0   (#  2547:20 Unique)
 &rst
  ixpk= 2547, nxpk= 20, iat=1108,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1500,1501,1502,
 &end
#
#    31  PRO  HB+    35  ALA  MB        4.5   (#  2550:20 Unique)
 &rst
  ixpk= 2550, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 469, 470,
 igr2= 522, 523, 524,
 &end
#
#    37  ALA  HN     35  ALA  MB        5.5   (#  2553:20 Unique)
 &rst
  ixpk= 2553, nxpk= 20, iat= 542,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 522, 523, 524,
 &end
#
#   110  LYS  HN    111  ALA  MB        5.5   (#  2554:20 Unique)
 &rst
  ixpk= 2554, nxpk= 20, iat=1650,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1676,1677,1678,
 &end
#
#     0  AMB  20-2:2555  43  ILE  QG2       5.5   (#  2555:20 Single)
 &rst
  ixpk= 2555, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 408, 365,
 igr2= 631, 632, 633,
 &end
#
#    42  GLU  HN     43  ILE  QG2       7.0   (#  2556:20 Unique)
 &rst
  ixpk= 2556, nxpk= 20, iat= 610,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 631, 632, 633,
 &end
#
#     0  AMB  20-2:2557  96  ALA  MB        5.5   (#  2557:20 Single)
 &rst
  ixpk= 2557, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1431,1432,1458,1459,
 igr2=1448,1449,1450,
 &end
#
#   104  ILE  HA    103  ALA  MB        5.5   (#  2558:20 Unique)
 &rst
  ixpk= 2558, nxpk= 20, iat=1552,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1544,1545,1546,
 &end
#
#    46  GLY  HA+    14  ILE  QG2       5.5   (#  2561:20 Unique)
 &rst
  ixpk= 2561, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 686, 687,
 igr2= 196, 197, 198,
 &end
#
#    12  VAL  HA     14  ILE  QG2       7.0   (#  2562:20 Unique)
 &rst
  ixpk= 2562, nxpk= 20, iat= 164,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 196, 197, 198,
 &end
#
#    41  LYS  HE-     9  ILE  QG2       5.5   (#  2563:20 Unique)
 &rst
  ixpk= 2563, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 601, 602,
 igr2= 123, 124, 125,
 &end
#
#     0  AMB  20-2:2564   9  ILE  QG2       5.5   (#  2564:20 Single)
 &rst
  ixpk= 2564, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 635, 636,  74,
 igr2= 123, 124, 125,
 &end
#
#     0  AMB  20-2:2565   0  AMB  20-1:2565     4.5   (#  2565:20 Double)
 &rst
  ixpk= 2565, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 353, 635, 636,  74,1107,
 igr2=1556,1557,1558, 123, 124, 125,
 &end
#
#     0  AMB  20-2:2566  79  ILE  QG2       7.0   (#  2566:20 Single)
 &rst
  ixpk= 2566, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1167,1367,
 igr2=1173,1174,1175,
 &end
#
#    71  CYS  HN     25  ILE  QG2       5.5   (#  2567:20 Unique)
 &rst
  ixpk= 2567, nxpk= 20, iat=1066,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 371, 372, 373,
 &end
#
#    43  ILE  HN     25  ILE  QG2       5.5   (#  2568:20 Unique)
 &rst
  ixpk= 2568, nxpk= 20, iat= 625,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 371, 372, 373,
 &end
#
#    42  GLU  HG+   104  ILE  QG2       4.5   (#  2569:20 Unique)
 &rst
  ixpk= 2569, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 617, 618,
 igr2=1556,1557,1558,
 &end
#
#    37  ALA  MB     29  SER  HN         5.5   (#  2571:20 Single)
 &rst
  ixpk= 2571, nxpk= 20, iat=  -1, 441, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 546, 547, 548,
 &end
#
#    31  PRO  HG-    35  ALA  MB         7.0   (#  2574:20 Single)
 &rst
  ixpk= 2574, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 466, 467,
 igr2= 522, 523, 524,
 &end
#
#    68  GLY  HN     67  GLN  HB3       7.0   (#  2575:20 Unique)
 &rst
  ixpk= 2575, nxpk= 20, iat=1036,1024, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    90  VAL  HB    120  TRP  HB+       5.5   (#  2576:20 Unique)
 &rst
  ixpk= 2576, nxpk= 20, iat=1355,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1821,1822,
 &end
#
#     0  AMB  20-2:2577   0  AMB  20-1:2577     5.5   (#  2577:20 Double)
 &rst
  ixpk= 2577, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1527,1058,1059,
 igr2=1821,1822, 429,
 &end
#
#    28  HIS  HD2    28  HIS  HB2       7.0   (#  2578:20 Unique)
 &rst
  ixpk= 2578, nxpk= 20, iat= 437, 428, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   106  THR  MG2    90  VAL  HB        5.5   (#  2579:20 Unique)
 &rst
  ixpk= 2579, nxpk= 20, iat=  -1,1355, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1586,1587,1588,
 &end
#
#     3  VAL  HB      4  ALA  MB         5.5   (#  2580:20 Unique)
 &rst
  ixpk= 2580, nxpk= 20, iat=  35,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  51,  52,  53,
 &end
#
#     2  ALA  MB      0  AMB  20-1:2581     5.5   (#  2581:20 Single)
 &rst
  ixpk= 2581, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=  25,  26,  27,
 igr2=   8,   9,  35,
 &end
#
#   104  ILE  HA    107  GLU  HG+       5.5   (#  2582:20 Unique)
 &rst
  ixpk= 2582, nxpk= 20, iat=1552,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1601,1602,
 &end
#
#   104  ILE  HA    107  GLU  HG-       5.5   (#  2583:20 Unique)
 &rst
  ixpk= 2583, nxpk= 20, iat=1552,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1601,1602,
 &end
#
#   121  ALA  MB     91  TYR  HB+       5.5   (#  2584:20 Unique)
 &rst
  ixpk= 2584, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1845,1846,1847,
 igr2=1371,1372,
 &end
#
#    94  SER  HN     93  TYR  HB-       5.5   (#  2585:20 Unique)
 &rst
  ixpk= 2585, nxpk= 20, iat=1416,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1399,1400,
 &end
#
#    11  ASP  HN     11  ASP  HB+       5.5   (#  2586:20 Unique)
 &rst
  ixpk= 2586, nxpk= 20, iat= 150,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 154, 155,
 &end
#
#    43  ILE  HN     25  ILE  HB        5.5   (#  2587:20 Unique)
 &rst
  ixpk= 2587, nxpk= 20, iat= 625, 369, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    43  ILE  HG1+   25  ILE  HB        3.5   (#  2588:20 Unique)
 &rst
  ixpk= 2588, nxpk= 20, iat=  -1, 369, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 635, 636,
 &end
#
#    43  ILE  HG1-   25  ILE  HB        3.5   (#  2589:20 Unique)
 &rst
  ixpk= 2589, nxpk= 20, iat=  -1, 369, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 635, 636,
 &end
#
#    97  TYR  HB-    75  GLY  HA-       5.5   (#  2590:20 Unique)
 &rst
  ixpk= 2590, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1458,1459,
 igr2=1124,1125,
 &end
#
#    97  TYR  HB-    75  GLY  HA+       5.5   (#  2591:20 Unique)
 &rst
  ixpk= 2591, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1458,1459,
 igr2=1124,1125,
 &end
#
#    71  CYS  HB2    70  ASP  HB-       5.5   (#  2593:20 Unique)
 &rst
  ixpk= 2593, nxpk= 20, iat=1070,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1058,1059,
 &end
#
#    28  HIS  HD2    70  ASP  HB+       5.5   (#  2598:20 Unique)
 &rst
  ixpk= 2598, nxpk= 20, iat= 437,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1058,1059,
 &end
#
#    28  HIS  HD2    70  ASP  HB-       5.5   (#  2599:20 Unique)
 &rst
  ixpk= 2599, nxpk= 20, iat= 437,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1058,1059,
 &end
#
#    70  ASP  HB-    28  HIS  HN         5.5   (#  2600:20 Unique)
 &rst
  ixpk= 2600, nxpk= 20, iat=  -1, 424, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1058,1059,
 &end
#
#    78  ARG  HB+    78  ARG  HD-       5.5   (#  2602:20 Unique)
 &rst
  ixpk= 2602, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1147,1148,
 igr2=1153,1154,
 &end
#
#    25  ILE  HA     25  ILE  HB        7.0   (#  2603:20 Unique)
 &rst
  ixpk= 2603, nxpk= 20, iat= 367, 369, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    34  GLY  HA+    35  ALA  MB         5.5   (#  2605:20 Double)
 &rst
  ixpk= 2605, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 513, 514,
 igr2= 522, 523, 524,
 &end
#
#    34  GLY  HA-    35  ALA  MB         5.5   (#  2606:20 Single)
 &rst
  ixpk= 2606, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 513, 514,
 igr2= 522, 523, 524,
 &end
#
#    93  TYR  HD     92  GLY  HA+       7.0   (#  2607:20 Unique)
 &rst
  ixpk= 2607, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1403,1412,
 igr2=1390,1391,
 &end
#
#     0  AMB  20-2:2608  31  PRO  HD-       4.5   (#  2608:20 Single)
 &rst
  ixpk= 2608, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 445, 446, 513, 514,
 igr2= 463, 464,
 &end
#
#     0  AMB  20-2:2609   0  AMB  20-1:2609     3.5   (#  2609:20 Double)
 &rst
  ixpk= 2609, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 445, 446, 513, 514,
 igr2= 463, 464, 463, 464,
 &end
#
#   120  TRP  HE1   103  ALA  HA        4.5   (#  2616:20 Unique)
 &rst
  ixpk= 2616, nxpk= 20, iat=1827,1542, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    72  GLU  HG+    72  GLU  HA        4.5   (#  2617:20 Unique)
 &rst
  ixpk= 2617, nxpk= 20, iat=  -1,1079, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1084,1085,
 &end
#
#    72  GLU  HB+    72  GLU  HA        3.5   (#  2618:20 Unique)
 &rst
  ixpk= 2618, nxpk= 20, iat=  -1,1079, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1081,1082,
 &end
#
#    72  GLU  HB-    72  GLU  HA        3.5   (#  2619:20 Unique)
 &rst
  ixpk= 2619, nxpk= 20, iat=  -1,1079, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1081,1082,
 &end
#
#    73  CYS  HN     72  GLU  HA        3.5   (#  2620:20 Unique)
 &rst
  ixpk= 2620, nxpk= 20, iat=1092,1079, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    72  GLU  HN     72  GLU  HA        4.5   (#  2621:20 Unique)
 &rst
  ixpk= 2621, nxpk= 20, iat=1077,1079, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    43  ILE  QD1    43  ILE  HA        5.5   (#  2622:20 Unique)
 &rst
  ixpk= 2622, nxpk= 20, iat=  -1, 627, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 638, 639, 640,
 &end
#
#    88  ILE  HN     88  ILE  HA        3.5   (#  2623:20 Unique)
 &rst
  ixpk= 2623, nxpk= 20, iat=1315,1317, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    87  LYS  HD-    88  ILE  HA        4.5   (#  2625:20 Unique)
 &rst
  ixpk= 2625, nxpk= 20, iat=  -1,1317, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1303,1304,
 &end
#
#    88  ILE  QG2    88  ILE  HA        4.5   (#  2626:20 Unique)
 &rst
  ixpk= 2626, nxpk= 20, iat=  -1,1317, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1321,1322,1323,
 &end
#
#    79  ILE  QG2    88  ILE  HA        5.5   (#  2627:20 Unique)
 &rst
  ixpk= 2627, nxpk= 20, iat=  -1,1317, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1173,1174,1175,
 &end
#
#   109  ILE  QG2    88  ILE  HA        7.0   (#  2628:20 Unique)
 &rst
  ixpk= 2628, nxpk= 20, iat=  -1,1317, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1637,1638,1639,
 &end
#
#    91  TYR  HD     90  VAL  HA        5.5   (#  2629:20 Unique)
 &rst
  ixpk= 2629, nxpk= 20, iat=  -1,1353, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1375,1384,
 &end
#
#   106  THR  HN    105  SER  HB3       5.5   (#  2630:20 Unique)
 &rst
  ixpk= 2630, nxpk= 20, iat=1580,1574, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    64  MET  HN     61  SER  HA        5.5   (#  2631:20 Unique)
 &rst
  ixpk= 2631, nxpk= 20, iat= 963, 935, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    64  MET  HG+    61  SER  HA        5.5   (#  2632:20 Unique)
 &rst
  ixpk= 2632, nxpk= 20, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 970, 971,
 &end
#
#    64  MET  HB3    61  SER  HA        5.5   (#  2633:20 Unique)
 &rst
  ixpk= 2633, nxpk= 20, iat= 968, 935, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  20-2:2634 105  SER  HB2       4.5   (#  2634:20 Single)
 &rst
  ixpk= 2634, nxpk= 20, iat=  -1,1573, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 650, 651, 652, 654, 655, 656, 350, 351,
 &end
#
#   105  SER  HA    105  SER  HB3       3.5   (#  2635:20 Unique)
 &rst
  ixpk= 2635, nxpk= 20, iat=1571,1574, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   100  ALA  HN     99  PRO  HA        3.5   (#  2636:20 Unique)
 &rst
  ixpk= 2636, nxpk= 20, iat=1496,1492, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    94  SER  HN     99  PRO  HA        5.5   (#  2637:20 Unique)
 &rst
  ixpk= 2637, nxpk= 20, iat=1416,1492, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    93  TYR  HA     99  PRO  HA        3.5   (#  2638:20 Unique)
 &rst
  ixpk= 2638, nxpk= 20, iat=1397,1492, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  20-2:2639  99  PRO  HA        3.5   (#  2639:20 Single)
 &rst
  ixpk= 2639, nxpk= 20, iat=  -1,1492, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1489,1490,1399,1400,
 &end
#
#     0  AMB  20-2:2640  99  PRO  HA        4.5   (#  2640:20 Single)
 &rst
  ixpk= 2640, nxpk= 20, iat=  -1,1492, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1489,1490,1486,1487,
 &end
#
#   100  ALA  MB     99  PRO  HA        5.5   (#  2641:20 Unique)
 &rst
  ixpk= 2641, nxpk= 20, iat=  -1,1492, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1500,1501,1502,
 &end
#
#    60  VAL  HN     57  TYR  HA        5.5   (#  2644:20 Unique)
 &rst
  ixpk= 2644, nxpk= 20, iat= 917, 864, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    61  SER  HN     57  TYR  HA        7.0   (#  2645:20 Unique)
 &rst
  ixpk= 2645, nxpk= 20, iat= 933, 864, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    60  VAL  MGY    57  TYR  HA        5.5   (#  2646:20 Unique)
 &rst
  ixpk= 2646, nxpk= 20, iat=  -1, 864, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 923, 924, 925, 927, 928, 929,
 &end
#
#    29  SER  HB+    39  GLU  HB+        5.5   (#  2647:20 Unique)
 &rst
  ixpk= 2647, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 445, 446,
 igr2= 566, 567,
 &end
#
#    29  SER  HB+    38  ALA  MB         5.5   (#  2648:20 Double)
 &rst
  ixpk= 2648, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 445, 446,
 igr2= 556, 557, 558,
 &end
#
#    36  PRO  HA     36  PRO  HD+        4.5   (#  2649:20 Double)
 &rst
  ixpk= 2649, nxpk= 20, iat= 538,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 529, 530,
 &end
#
#    64  MET  HN     60  VAL  HA        5.5   (#  2654:20 Unique)
 &rst
  ixpk= 2654, nxpk= 20, iat= 963, 919, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    61  SER  HN     60  VAL  HA        5.5   (#  2655:20 Unique)
 &rst
  ixpk= 2655, nxpk= 20, iat= 933, 919, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    63  ASP  HN     60  VAL  HA        4.5   (#  2656:20 Unique)
 &rst
  ixpk= 2656, nxpk= 20, iat= 951, 919, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     0  AMB  20-2:2657  60  VAL  HA        4.5   (#  2657:20 Single)
 &rst
  ixpk= 2657, nxpk= 20, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 955, 970, 971,
 &end
#
#    60  VAL  HB     60  VAL  HA        4.5   (#  2658:20 Unique)
 &rst
  ixpk= 2658, nxpk= 20, iat= 921, 919, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    59  LYS  HG+    60  VAL  HA        5.5   (#  2659:20 Unique)
 &rst
  ixpk= 2659, nxpk= 20, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 902, 903,
 &end
#
#    12  VAL  MGY   109  ILE  HA        4.5   (#  2660:20 Unique)
 &rst
  ixpk= 2660, nxpk= 20, iat=  -1,1633, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 168, 169, 170, 172, 173, 174,
 &end
#
#     0  AMB  20-2:2661 109  ILE  HA        4.5   (#  2661:20 Single)
 &rst
  ixpk= 2661, nxpk= 20, iat=  -1,1633, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1686,1687,1635,
 &end
#
#     0  AMB  20-2:2662 109  ILE  HA        5.5   (#  2662:20 Single)
 &rst
  ixpk= 2662, nxpk= 20, iat=  -1,1633, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1641,1642, 166,
 &end
#
#   112  LYS  HN    109  ILE  HA        5.5   (#  2663:20 Unique)
 &rst
  ixpk= 2663, nxpk= 20, iat=1682,1633, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    40  SER  HN     40  SER  HB3       4.5   (#  2664:20 Unique)
 &rst
  ixpk= 2664, nxpk= 20, iat= 577, 582, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    29  SER  HN     40  SER  HB3       7.0   (#  2665:20 Unique)
 &rst
  ixpk= 2665, nxpk= 20, iat= 441, 582, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    40  SER  HB3    39  GLU  HA         7.0   (#  2666:20 Single)
 &rst
  ixpk= 2666, nxpk= 20, iat= 582, 564, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    26  ARG  HG+    40  SER  HB3       5.5   (#  2667:20 Unique)
 &rst
  ixpk= 2667, nxpk= 20, iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 391, 392,
 &end
#
#    26  ARG  HG-    40  SER  HB3       5.5   (#  2668:20 Unique)
 &rst
  ixpk= 2668, nxpk= 20, iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 391, 392,
 &end
#
#     6  LEU  MDX    40  SER  HB3       5.5   (#  2669:20 Unique)
 &rst
  ixpk= 2669, nxpk= 20, iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  78,  79,  80,  82,  83,  84,
 &end
#
#    26  ARG  HG+    40  SER  HB2       5.5   (#  2670:20 Unique)
 &rst
  ixpk= 2670, nxpk= 20, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 391, 392,
 &end
#
#    26  ARG  HG-    40  SER  HB2       4.5   (#  2671:20 Unique)
 &rst
  ixpk= 2671, nxpk= 20, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 391, 392,
 &end
#
#     6  LEU  MDX    40  SER  HB2       5.5   (#  2672:20 Unique)
 &rst
  ixpk= 2672, nxpk= 20, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  78,  79,  80,  82,  83,  84,
 &end
#
#     0  AMB  20-2:2673 106  THR  HA        7.0   (#  2673:20 Single)
 &rst
  ixpk= 2673, nxpk= 20, iat=  -1,1582, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1641,1642,1613,
 &end
#
#    90  VAL  MGY   106  THR  HA        5.5   (#  2674:20 Unique)
 &rst
  ixpk= 2674, nxpk= 20, iat=  -1,1582, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1357,1358,1359,1361,1362,1363,
 &end
#
#     0  AMB  20-2:2675 106  THR  HA        7.0   (#  2675:20 Single)
 &rst
  ixpk= 2675, nxpk= 20, iat=  -1,1582, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1=1357,1358,1359,1361,1362,1363, 650, 651, 652, 654,
       655, 656,
 &end
#
#     0  AMB  20-2:2676 106  THR  HA        5.5   (#  2676:20 Single)
 &rst
  ixpk= 2676, nxpk= 20, iat=  -1,1582, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1637,1638,1639, 650, 651, 652, 654, 655, 656,
 &end
#
#    29  SER  HB-    38  ALA  MB         7.0   (#  2679:20 Single)
 &rst
  ixpk= 2679, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 445, 446,
 igr2= 556, 557, 558,
 &end
#
#     0  AMB  20-2:2681  57  TYR  HA        4.5   (#  2681:20 Single)
 &rst
  ixpk= 2681, nxpk= 20, iat=  -1, 864, r1= 1.30, r2= 1.80, r3= 7.22, r4= 7.72,
 igr1= 849, 850, 851, 336, 337, 338, 340, 341, 342, 923,
       924, 925, 927, 928, 929, 375, 376,
 &end
#
#    24  LEU  MDY   105  SER  HB3       7.0   (#  2682:20 Unique)
 &rst
  ixpk= 2682, nxpk= 20, iat=  -1,1574, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 355, 356, 357, 359, 360, 361,
 &end
#
#    22  TYR  HN     23  VAL  HA        5.5   (#  2683:20 Unique)
 &rst
  ixpk= 2683, nxpk= 20, iat= 309, 332, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    67  GLN  HN     65  GLN  HA        5.5   (#  2684:20 Unique)
 &rst
  ixpk= 2684, nxpk= 20, iat=1019, 982, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  20-2:2686  11  ASP  HA        5.5   (#  2686:20 Single)
 &rst
  ixpk= 2686, nxpk= 20, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
 igr1= 168, 169, 170, 172, 173, 174,1689,1690, 650, 651,
       652, 654, 655, 656,
 &end
#
#    24  LEU  HN     76  GLY  HA-       5.5   (#  2689:20 Unique)
 &rst
  ixpk= 2689, nxpk= 20, iat= 346,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1131,1132,
 &end
#
#     0  AMB  20-2:2692   0  AMB  20-1:2692     3.5   (#  2692:20 Double)
 &rst
  ixpk= 2692, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1654,1655,1660,1661,
 igr2=1663,1664,1663,1664,
 &end
#
#     0  AMB  20-2:2693   0  AMB  20-1:2693     3.5   (#  2693:20 Double)
 &rst
  ixpk= 2693, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1= 595, 596, 414, 415, 416, 418, 419, 420,
 igr2= 601, 602, 601, 602,
 &end
#
#     0  AMB  20-2:2694   0  AMB  20-1:2694     4.5   (#  2694:20 Double)
 &rst
  ixpk= 2694, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.63, r4=10.13,
 igr1= 168, 169, 170, 172, 173, 174, 762, 763, 764, 355,
       356, 357, 359, 360, 361, 292,
 igr2=1622,1623, 300, 301,1695,1696,
 &end
#
#     0  AMB  20-2:2695   0  AMB  20-1:2695     5.5   (#  2695:20 Double)
 &rst
  ixpk= 2695, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 899, 900, 899, 900,
 igr2= 908, 909, 908, 909,
 &end
#
#   117  GLU  HB-    87  LYS  HE+       5.5   (#  2696:20 Unique)
 &rst
  ixpk= 2696, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1776,1777,
 igr2=1306,1307,
 &end
#
#    99  PRO  HA     93  TYR  HB-       5.5   (#  2697:20 Unique)
 &rst
  ixpk= 2697, nxpk= 20, iat=1492,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1399,1400,
 &end
#
#    26  ARG  HB3    74  LEU  MDY        5.5   (#  2699:20 Unique)
 &rst
  ixpk= 2699, nxpk= 20, iat= 389,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1112,1113,1114,1116,1117,1118,
 &end
#
#   101  GLN  HB-   104  ILE  HG1+      7.0   (#  2700:20 Unique)
 &rst
  ixpk= 2700, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1510,1511,
 igr2=1560,1561,
 &end
#
#    24  LEU  HN     24  LEU  MDX       5.5   (#  2701:20 Unique)
 &rst
  ixpk= 2701, nxpk= 20, iat= 346,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 355, 356, 357, 359, 360, 361,
 &end
#
#    27  VAL  MGY    40  SER  HA         5.5   (#  2705:20 Double)
 &rst
  ixpk= 2705, nxpk= 20, iat=  -1, 579, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 414, 415, 416, 418, 419, 420,
 &end
#
#    71  CYS  HA     27  VAL  MGY       5.5   (#  2706:20 Unique)
 &rst
  ixpk= 2706, nxpk= 20, iat=1068,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 414, 415, 416, 418, 419, 420,
 &end
#
#    19  VAL  HN     19  VAL  MGX       5.5   (#  2707:20 Unique)
 &rst
  ixpk= 2707, nxpk= 20, iat= 251,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 257, 258, 259, 261, 262, 263,
 &end
#
#    20  PHE  HA     19  VAL  MGX       5.5   (#  2709:20 Unique)
 &rst
  ixpk= 2709, nxpk= 20, iat= 269,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 257, 258, 259, 261, 262, 263,
 &end
#
#     9  ILE  HN     64  MET  ME        5.5   (#  2710:20 Unique)
 &rst
  ixpk= 2710, nxpk= 20, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 974, 975, 976,
 &end
#
#    49  TRP  HZ2    50  ALA  MB        7.0   (#  2711:20 Unique)
 &rst
  ixpk= 2711, nxpk= 20, iat= 747,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 762, 763, 764,
 &end
#
#    49  TRP  HH2    50  ALA  MB        5.5   (#  2712:20 Unique)
 &rst
  ixpk= 2712, nxpk= 20, iat= 749,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 762, 763, 764,
 &end
#
#    74  LEU  HG     25  ILE  QG2       5.5   (#  2715:20 Unique)
 &rst
  ixpk= 2715, nxpk= 20, iat=1110,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 371, 372, 373,
 &end
#
#   108  LYS  HG-   104  ILE  QG2       4.5   (#  2716:20 Unique)
 &rst
  ixpk= 2716, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1616,1617,
 igr2=1556,1557,1558,
 &end
#
#    61  SER  HN     25  ILE  QD1       5.5   (#  2717:20 Unique)
 &rst
  ixpk= 2717, nxpk= 20, iat= 933,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 378, 379, 380,
 &end
#
#     0  AMB  20-2:2718   9  ILE  QD1       7.0   (#  2718:20 Single)
 &rst
  ixpk= 2718, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.10, r4=10.60,
 igr1= 445, 446,  90,
 igr2= 130, 131, 132,
 &end
#
#   101  GLN  HE2-  104  ILE  QD1       7.0   (#  2720:20 Unique)
 &rst
  ixpk= 2720, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1518,1519,
 igr2=1563,1564,1565,
 &end
#
#    88  ILE  HN    118  VAL  HA        5.5   (#  2721:20 Unique)
 &rst
  ixpk= 2721, nxpk= 20, iat=1315,1789, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  20-2:2722  43  ILE  HA        4.5   (#  2722:20 Single)
 &rst
  ixpk= 2722, nxpk= 20, iat=  -1, 627, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 650, 651, 652, 654, 655, 656, 168, 169, 170, 172,
       173, 174,
 &end
#
#     0  AMB  20-2:2723  43  ILE  HA        5.5   (#  2723:20 Single)
 &rst
  ixpk= 2723, nxpk= 20, iat=  -1, 627, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 635, 636, 595, 596,
 &end
#
#     0  AMB  20-2:2724   0  AMB  20-1:2724     5.5   (#  2724:20 Double)
 &rst
  ixpk= 2724, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 200, 201,  76,
 igr2= 192, 579,
 &end
#
#    45  ARG  HB2    45  ARG  HA        5.5   (#  2725:20 Unique)
 &rst
  ixpk= 2725, nxpk= 20, iat= 664, 662, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    99  PRO  HB+    99  PRO  HD-       5.5   (#  2726:20 Unique)
 &rst
  ixpk= 2726, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1489,1490,
 igr2=1483,1484,
 &end
#
#     0  AMB  20-2:2727 105  SER  HB2       5.5   (#  2727:20 Single)
 &rst
  ixpk= 2727, nxpk= 20, iat=  -1,1573, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 355, 356, 357, 359, 360, 361,1500,1501,1502,1556,
      1557,1558,
 &end
#
#    52  TYR  HA     52  TYR  HB+       5.5   (#  2728:20 Unique)
 &rst
  ixpk= 2728, nxpk= 20, iat= 785,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 787, 788,
 &end
#
#    43  ILE  QD1    45  ARG  HG-       7.0   (#  2729:20 Unique)
 &rst
  ixpk= 2729, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 638, 639, 640,
 igr2= 667, 668,
 &end
#
#    10  PRO  HA     10  PRO  HD-       4.5   (#  2731:20 Unique)
 &rst
  ixpk= 2731, nxpk= 20, iat= 146,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 137, 138,
 &end
#
#     0  AMB  20-2:2733  40  SER  HB3       4.5   (#  2733:20 Single)
 &rst
  ixpk= 2733, nxpk= 20, iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 394, 395, 394, 395,
 &end
#
#    71  CYS  HB2    61  SER  HB+       5.5   (#  2734:20 Unique)
 &rst
  ixpk= 2734, nxpk= 20, iat=1070,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 937, 938,
 &end
#
#    71  CYS  HB2    61  SER  HB-       7.0   (#  2735:20 Unique)
 &rst
  ixpk= 2735, nxpk= 20, iat=1070,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 937, 938,
 &end
#
#     0  AMB  20-2:2736   0  AMB  20-1:2736     3.5   (#  2736:20 Double)
 &rst
  ixpk= 2736, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=  78,  79,  80,  82,  83,  84,1112,1113,1114,1116,
      1117,1118,
 igr2=  74,1107,
 &end
#
#    41  LYS  HG-     6  LEU  HB3       5.5   (#  2737:20 Unique)
 &rst
  ixpk= 2737, nxpk= 20, iat=  -1,  74, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 595, 596,
 &end
#
#     0  AMB  20-2:2739  43  ILE  HA        7.0   (#  2739:20 Single)
 &rst
  ixpk= 2739, nxpk= 20, iat=  -1, 627, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
 igr1=1619,1620, 667, 668,1614,
 &end
#
#     0  AMB  20-2:2743  42  GLU  HG-       4.5   (#  2743:20 Single)
 &rst
  ixpk= 2743, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 389,1108,
 igr2= 617, 618,
 &end
#
#    42  GLU  HG-    24  LEU  MDY        3.5   (#  2744:20 Single)
 &rst
  ixpk= 2744, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 617, 618,
 igr2= 355, 356, 357, 359, 360, 361,
 &end
#
#   125  TYR  HA     92  GLY  HA-       4.5   (#  2745:20 Unique)
 &rst
  ixpk= 2745, nxpk= 20, iat=1886,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1390,1391,
 &end
#
#    56  ILE  HG1+   23  VAL  MGX       5.5   (#  2750:20 Unique)
 &rst
  ixpk= 2750, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 853, 854,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
#   108  LYS  HD+   108  LYS  HG-       3.5   (#  2751:20 Unique)
 &rst
  ixpk= 2751, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1619,1620,
 igr2=1616,1617,
 &end
#
#     0  AMB  20-2:2753   0  AMB  20-1:2753     5.5   (#  2753:20 Double)
 &rst
  ixpk= 2753, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1596, 946, 947,
 igr2=1657,1658,1004,1005,
 &end
#
#    31  PRO  HD-    29  SER  HB+       2.8   (#  2754:20 Unique)
 &rst
  ixpk= 2754, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 463, 464,
 igr2= 445, 446,
 &end
#
#    51  GLU  HB-    51  GLU  HG-       2.8   (#  2756:20 Unique)
 &rst
  ixpk= 2756, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 772, 773,
 igr2= 775, 776,
 &end
#
#   106  THR  MG2   118  VAL  HB        4.5   (#  2758:20 Unique)
 &rst
  ixpk= 2758, nxpk= 20, iat=  -1,1791, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1586,1587,1588,
 &end
#
#     0  AMB  20-2:2759 121  ALA  MB        4.5   (#  2759:20 Single)
 &rst
  ixpk= 2759, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1855,1856,1821,1822,
 igr2=1845,1846,1847,
 &end
#
#     0  AMB  20-2:2760  74  LEU  MDY       4.5   (#  2760:20 Single)
 &rst
  ixpk= 2760, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 617, 618, 614, 615,
 igr2=1112,1113,1114,1116,1117,1118,
 &end
#
#     0  AMB  20-2:2761   0  AMB  20-1:2761     3.5   (#  2761:20 Double)
 &rst
  ixpk= 2761, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 391, 392, 378, 379, 380,
 igr2= 388, 921,
 &end
#
#   108  LYS  HG+   108  LYS  HB2       4.5   (#  2763:20 Unique)
 &rst
  ixpk= 2763, nxpk= 20, iat=  -1,1613, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1616,1617,
 &end
#
#   108  LYS  HD+   108  LYS  HB2       5.5   (#  2764:20 Unique)
 &rst
  ixpk= 2764, nxpk= 20, iat=  -1,1613, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1619,1620,
 &end
#
#   101  GLN  HG-   104  ILE  HG1+      5.5   (#  2765:20 Unique)
 &rst
  ixpk= 2765, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1513,1514,
 igr2=1560,1561,
 &end
#
#     0  AMB  20-2:2766  60  VAL  HA        7.0   (#  2766:20 Single)
 &rst
  ixpk= 2766, nxpk= 20, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 9.68, r4=10.18,
 igr1= 667, 668, 905, 906, 905, 906, 968,
 &end
#
#    38  ALA  MB     28  HIS  HB3        5.5   (#  2769:20 Unique)
 &rst
  ixpk= 2769, nxpk= 20, iat=  -1, 429, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 556, 557, 558,
 &end
#
#   110  LYS  HE-   110  LYS  HG-       5.5   (#  2770:20 Unique)
 &rst
  ixpk= 2770, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1663,1664,
 igr2=1657,1658,
 &end
#
#    44  VAL  MGX   109  ILE  QD1       2.8   (#  2772:20 Unique)
 &rst
  ixpk= 2772, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 650, 651, 652, 654, 655, 656,
 igr2=1644,1645,1646,
 &end
#
#   120  TRP  HN    119  THR  HB        2.8   (#  2773:20 Unique)
 &rst
  ixpk= 2773, nxpk= 20, iat=1817,1807, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    89  HIS  HE1   119  THR  HB        5.5   (#  2774:20 Unique)
 &rst
  ixpk= 2774, nxpk= 20, iat=1344,1807, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   119  THR  MG2   119  THR  HB        2.8   (#  2775:20 Unique)
 &rst
  ixpk= 2775, nxpk= 20, iat=  -1,1807, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1809,1810,1811,
 &end
#
#   119  THR  HA    119  THR  HB        2.8   (#  2776:20 Unique)
 &rst
  ixpk= 2776, nxpk= 20, iat=1805,1807, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     0  AMB  20-2:2778 125  TYR  HA        5.5   (#  2778:20 Single)
 &rst
  ixpk= 2778, nxpk= 20, iat=  -1,1886, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1395,1388,
 &end
#
#    79  ILE  HG1+   22  TYR  HB+       7.0   (#  2779:20 Unique)
 &rst
  ixpk= 2779, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1177,1178,
 igr2= 313, 314,
 &end
#
#    79  ILE  HG1+   22  TYR  HB-       5.5   (#  2780:20 Unique)
 &rst
  ixpk= 2780, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1177,1178,
 igr2= 313, 314,
 &end
#
#     0  AMB  20-2:2781  22  TYR  HB-       7.0   (#  2781:20 Single)
 &rst
  ixpk= 2781, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.33, r4=11.83,
 igr1= 196, 197, 198, 650, 651, 652, 654, 655, 656,
 igr2= 313, 314,
 &end
#
#    10  PRO  HB-    10  PRO  HD-       5.5   (#  2783:20 Unique)
 &rst
  ixpk= 2783, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 143, 144,
 igr2= 137, 138,
 &end
#
#    36  PRO  HD-    36  PRO  HG+        2.8   (#  2784:20 Double)
 &rst
  ixpk= 2784, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 529, 530,
 igr2= 532, 533,
 &end
#
#    60  VAL  MGX    61  SER  HA         4.5   (#  2785:20 Unique)
 &rst
  ixpk= 2785, nxpk= 20, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 923, 924, 925, 927, 928, 929,
 &end
#
#   105  SER  HB2    44  VAL  MGY       4.5   (#  2786:20 Unique)
 &rst
  ixpk= 2786, nxpk= 20, iat=1573,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 650, 651, 652, 654, 655, 656,
 &end
#
#    45  ARG  HG-    57  TYR  HA        5.5   (#  2788:20 Unique)
 &rst
  ixpk= 2788, nxpk= 20, iat=  -1, 864, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 667, 668,
 &end
#
#     0  AMB  20-2:2789  61  SER  HB-       5.5   (#  2789:20 Single)
 &rst
  ixpk= 2789, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 923, 924, 925, 927, 928, 929, 371, 372, 373,
 igr2= 937, 938,
 &end
#
#    93  TYR  HB+    99  PRO  HA        5.5   (#  2790:20 Unique)
 &rst
  ixpk= 2790, nxpk= 20, iat=  -1,1492, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1399,1400,
 &end
#
#    68  GLY  HN     66  LYS  HA        5.5   (#  2792:20 Unique)
 &rst
  ixpk= 2792, nxpk= 20, iat=1036, 999, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    44  VAL  HN     44  VAL  HA        4.5   (#  2793:20 Unique)
 &rst
  ixpk= 2793, nxpk= 20, iat= 644, 646, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    82  GLN  HN     82  GLN  HA        5.5   (#  2794:20 Unique)
 &rst
  ixpk= 2794, nxpk= 20, iat=1214,1216, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    62  GLY  HN     61  SER  HA        7.0   (#  2796:20 Unique)
 &rst
  ixpk= 2796, nxpk= 20, iat= 944, 935, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   110  LYS  HN    110  LYS  HA        5.5   (#  2797:20 Unique)
 &rst
  ixpk= 2797, nxpk= 20, iat=1650,1652, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    97  TYR  HN     97  TYR  HA        5.5   (#  2799:20 Unique)
 &rst
  ixpk= 2799, nxpk= 20, iat=1454,1456, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    20  PHE  HN     20  PHE  HA        5.5   (#  2800:20 Unique)
 &rst
  ixpk= 2800, nxpk= 20, iat= 267, 269, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  20-2:2801 100  ALA  HA        7.0   (#  2801:20 Single)
 &rst
  ixpk= 2801, nxpk= 20, iat=  -1,1498, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
 igr1=1122,1533, 319, 324,1136,
 &end
#
#   105  SER  HA    105  SER  HB2       4.5   (#  2803:20 Unique)
 &rst
  ixpk= 2803, nxpk= 20, iat=1571,1573, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   105  SER  HA    105  SER  HB2       5.5   (#  2804:20 Unique)
 &rst
  ixpk= 2804, nxpk= 20, iat=1571,1573, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  20-2:2805 107  GLU  HA        3.5   (#  2805:20 Single)
 &rst
  ixpk= 2805, nxpk= 20, iat=  -1,1596, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1654,1655,1660,1661,
 &end
#
#   118  VAL  HB    107  GLU  HA        5.5   (#  2806:20 Unique)
 &rst
  ixpk= 2806, nxpk= 20, iat=1791,1596, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    66  LYS  HG-    66  LYS  HA        3.5   (#  2807:20 Unique)
 &rst
  ixpk= 2807, nxpk= 20, iat=  -1, 999, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1004,1005,
 &end
#
#    64  MET  HA     27  VAL  MGY        5.5   (#  2810:20 Unique)
 &rst
  ixpk= 2810, nxpk= 20, iat= 965,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 414, 415, 416, 418, 419, 420,
 &end
#
#   121  ALA  HA    120  TRP  HB+        5.5   (#  2811:20 Unique)
 &rst
  ixpk= 2811, nxpk= 20, iat=1843,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1821,1822,
 &end
#
#     0  AMB  20-2:2812  37  ALA  HA        7.0   (#  2812:20 Single)
 &rst
  ixpk= 2812, nxpk= 20, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 566, 567, 466, 467,
 &end
#
#    14  ILE  QG2    46  GLY  HA+       5.5   (#  2813:20 Unique)
 &rst
  ixpk= 2813, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 196, 197, 198,
 igr2= 686, 687,
 &end
#
#    40  SER  HN     40  SER  HB2       5.5   (#  2814:20 Unique)
 &rst
  ixpk= 2814, nxpk= 20, iat= 577, 581, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    57  TYR  HE     61  SER  HB+       5.5   (#  2815:20 Unique)
 &rst
  ixpk= 2815, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 872, 877,
 igr2= 937, 938,
 &end
#
#    57  TYR  HE     61  SER  HB-       7.0   (#  2816:20 Unique)
 &rst
  ixpk= 2816, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 872, 877,
 igr2= 937, 938,
 &end
#
#    24  LEU  HA    105  SER  HB3       5.5   (#  2817:20 Unique)
 &rst
  ixpk= 2817, nxpk= 20, iat= 348,1574, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   102  HIS  HD2   105  SER  HB3       7.0   (#  2818:20 Unique)
 &rst
  ixpk= 2818, nxpk= 20, iat=1536,1574, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    24  LEU  HA    105  SER  HB2       7.0   (#  2819:20 Unique)
 &rst
  ixpk= 2819, nxpk= 20, iat= 348,1573, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   107  GLU  HN    103  ALA  HA        7.0   (#  2820:20 Unique)
 &rst
  ixpk= 2820, nxpk= 20, iat=1594,1542, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#     0  AMB  20-2:2827   0  AMB  20-1:2827     7.0   (#  2827:20 Double)
 &rst
  ixpk= 2827, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
 igr1= 386, 426,
 igr2= 394, 395, 394, 395,
 &end
#
#     0  AMB  20-2:2828  26  ARG  HD-       5.5   (#  2828:20 Single)
 &rst
  ixpk= 2828, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 386, 426,
 igr2= 394, 395,
 &end
#
#    28  HIS  HE1    26  ARG  HD-       5.5   (#  2829:20 Unique)
 &rst
  ixpk= 2829, nxpk= 20, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 394, 395,
 &end
#
#    26  ARG  HE     26  ARG  HD-       7.0   (#  2830:20 Unique)
 &rst
  ixpk= 2830, nxpk= 20, iat= 397,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 394, 395,
 &end
#
#    14  ILE  HA     14  ILE  HB        5.5   (#  2831:20 Unique)
 &rst
  ixpk= 2831, nxpk= 20, iat= 192, 194, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    52  TYR  HN     55  ASP  HB2       7.0   (#  2834:20 Unique)
 &rst
  ixpk= 2834, nxpk= 20, iat= 783, 835, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    52  TYR  HN     55  ASP  HB3       5.5   (#  2835:20 Unique)
 &rst
  ixpk= 2835, nxpk= 20, iat= 783, 836, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    74  LEU  HN     74  LEU  HB2       5.5   (#  2836:20 Unique)
 &rst
  ixpk= 2836, nxpk= 20, iat=1103,1107, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    20  PHE  HA     20  PHE  HB+       5.5   (#  2837:20 Unique)
 &rst
  ixpk= 2837, nxpk= 20, iat= 269,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 271, 272,
 &end
#
#    98  GLY  HN     97  TYR  HB-       7.0   (#  2838:20 Unique)
 &rst
  ixpk= 2838, nxpk= 20, iat=1475,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1458,1459,
 &end
#
#    76  GLY  HN     97  TYR  HB+       7.0   (#  2839:20 Unique)
 &rst
  ixpk= 2839, nxpk= 20, iat=1129,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1458,1459,
 &end
#
#    57  TYR  HE     57  TYR  HB2       5.5   (#  2840:20 Unique)
 &rst
  ixpk= 2840, nxpk= 20, iat=  -1, 866, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 872, 877,
 &end
#
#   123  ASP  HN    122  ASN  HB+       7.0   (#  2841:20 Unique)
 &rst
  ixpk= 2841, nxpk= 20, iat=1865,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1855,1856,
 &end
#
#    26  ARG  HN     42  GLU  HG+       5.5   (#  2842:20 Unique)
 &rst
  ixpk= 2842, nxpk= 20, iat= 384,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 617, 618,
 &end
#
#    43  ILE  HN     42  GLU  HG-       5.5   (#  2843:20 Unique)
 &rst
  ixpk= 2843, nxpk= 20, iat= 625,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 617, 618,
 &end
#
#    88  ILE  HN     87  LYS  HB+       5.5   (#  2844:20 Unique)
 &rst
  ixpk= 2844, nxpk= 20, iat=1315,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1297,1298,
 &end
#
#    88  ILE  HN     87  LYS  HB-       7.0   (#  2845:20 Unique)
 &rst
  ixpk= 2845, nxpk= 20, iat=1315,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1297,1298,
 &end
#
#    26  ARG  HN     72  GLU  HG-       5.5   (#  2846:20 Unique)
 &rst
  ixpk= 2846, nxpk= 20, iat= 384,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1084,1085,
 &end
#
#     0  AMB  20-2:2847   0  AMB  20-1:2847     7.0   (#  2847:20 Double)
 &rst
  ixpk= 2847, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
 igr1=1092, 384,
 igr2=1084,1085,1084,1085,
 &end
#
#    52  TYR  HN     51  GLU  HG+       5.5   (#  2848:20 Unique)
 &rst
  ixpk= 2848, nxpk= 20, iat= 783,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 775, 776,
 &end
#
#    41  LYS  HN     41  LYS  HB+       5.5   (#  2849:20 Unique)
 &rst
  ixpk= 2849, nxpk= 20, iat= 588,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 592, 593,
 &end
#
#    41  LYS  HN     41  LYS  HB-       7.0   (#  2850:20 Unique)
 &rst
  ixpk= 2850, nxpk= 20, iat= 588,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 592, 593,
 &end
#
#   101  GLN  HE2-  101  GLN  HG-       5.5   (#  2851:20 Unique)
 &rst
  ixpk= 2851, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1518,1519,
 igr2=1513,1514,
 &end
#
#     0  AMB  20-2:2852   0  AMB  20-1:2852     5.5   (#  2852:20 Double)
 &rst
  ixpk= 2852, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 441,  69,
 igr2= 566, 567, 566, 567,
 &end
#
#   118  VAL  HN    117  GLU  HB-       5.5   (#  2853:20 Unique)
 &rst
  ixpk= 2853, nxpk= 20, iat=1787,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1776,1777,
 &end
#
#    52  TYR  HE     51  GLU  HB+       7.0   (#  2854:20 Unique)
 &rst
  ixpk= 2854, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 793, 798,
 igr2= 772, 773,
 &end
#
#    28  HIS  HN     69  CYS  HB3       7.0   (#  2855:20 Unique)
 &rst
  ixpk= 2855, nxpk= 20, iat= 424,1048, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   105  SER  HN    104  ILE  HG1-      5.5   (#  2856:20 Unique)
 &rst
  ixpk= 2856, nxpk= 20, iat=1569,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1560,1561,
 &end
#
#   103  ALA  HN    101  GLN  HB+       5.5   (#  2857:20 Unique)
 &rst
  ixpk= 2857, nxpk= 20, iat=1540,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1510,1511,
 &end
#
#    64  MET  HN     60  VAL  MGY       7.0   (#  2858:20 Unique)
 &rst
  ixpk= 2858, nxpk= 20, iat= 963,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2= 923, 924, 925, 927, 928, 929,
 &end
#
#     0  AMB  20-2:2859  60  VAL  MGY       7.0   (#  2859:20 Single)
 &rst
  ixpk= 2859, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1= 862, 951,
 igr2= 923, 924, 925, 927, 928, 929,
 &end
#
#   118  VAL  HN    106  THR  MG2       7.0   (#  2860:20 Unique)
 &rst
  ixpk= 2860, nxpk= 20, iat=1787,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1586,1587,1588,
 &end
#
#    87  LYS  HA    117  GLU  HB-       5.5   (#  2861:20 Unique)
 &rst
  ixpk= 2861, nxpk= 20, iat=1295,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1776,1777,
 &end
#
#    99  PRO  HA     99  PRO  HB+       4.5   (#  2863:20 Unique)
 &rst
  ixpk= 2863, nxpk= 20, iat=1492,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1489,1490,
 &end
#
#    29  SER  HN     28  HIS  HB2       5.5   (#  2864:20 Unique)
 &rst
  ixpk= 2864, nxpk= 20, iat= 441, 428, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   118  VAL  HA    118  VAL  HB        7.0   (#  2865:20 Unique)
 &rst
  ixpk= 2865, nxpk= 20, iat=1789,1791, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    24  LEU  HN     24  LEU  MDY       5.5   (#  2866:20 Unique)
 &rst
  ixpk= 2866, nxpk= 20, iat= 346,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 355, 356, 357, 359, 360, 361,
 &end
#
#    74  LEU  HN     23  VAL  MGX       7.0   (#  2869:20 Unique)
 &rst
  ixpk= 2869, nxpk= 20, iat=1103,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
#    71  CYS  HA     25  ILE  QG2       4.5   (#  2870:20 Unique)
 &rst
  ixpk= 2870, nxpk= 20, iat=1068,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 371, 372, 373,
 &end
#
#    65  GLN  HN     64  MET  ME        7.0   (#  2871:20 Unique)
 &rst
  ixpk= 2871, nxpk= 20, iat= 980,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 974, 975, 976,
 &end
#
#    29  SER  HB+    37  ALA  MB        5.5   (#  2872:20 Unique)
 &rst
  ixpk= 2872, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 445, 446,
 igr2= 546, 547, 548,
 &end
#
#     0  AMB  20-2:2873  60  VAL  MGY       4.5   (#  2873:20 Single)
 &rst
  ixpk= 2873, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 899, 900, 899, 900,
 igr2= 923, 924, 925, 927, 928, 929,
 &end
#
#    64  MET  HG+    60  VAL  MGY       7.0   (#  2874:20 Unique)
 &rst
  ixpk= 2874, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1= 970, 971,
 igr2= 923, 924, 925, 927, 928, 929,
 &end
#
#   102  HIS  HB3   106  THR  MG2       7.0   (#  2875:20 Unique)
 &rst
  ixpk= 2875, nxpk= 20, iat=1528,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1586,1587,1588,
 &end
#
#     0  AMB  20-2:2876  60  VAL  MGY       7.0   (#  2876:20 Single)
 &rst
  ixpk= 2876, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1= 956,1070,
 igr2= 923, 924, 925, 927, 928, 929,
 &end
#
#   112  LYS  HN     12  VAL  MGX       5.5   (#  2878:20 Unique)
 &rst
  ixpk= 2878, nxpk= 20, iat=1682,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 168, 169, 170, 172, 173, 174,
 &end
#
#    26  ARG  HE     74  LEU  MDX       5.5   (#  2879:20 Unique)
 &rst
  ixpk= 2879, nxpk= 20, iat= 397,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1112,1113,1114,1116,1117,1118,
 &end
#
#    67  GLN  HN     66  LYS  HG+       5.5   (#  2880:20 Unique)
 &rst
  ixpk= 2880, nxpk= 20, iat=1019,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1004,1005,
 &end
#
#    67  GLN  HG+    66  LYS  HG+       5.5   (#  2881:20 Unique)
 &rst
  ixpk= 2881, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1026,1027,
 igr2=1004,1005,
 &end
#
#   108  LYS  HE+   108  LYS  HG+       5.5   (#  2884:20 Unique)
 &rst
  ixpk= 2884, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1622,1623,
 igr2=1616,1617,
 &end
#
#   117  GLU  HG+    87  LYS  HG-       7.0   (#  2885:20 Unique)
 &rst
  ixpk= 2885, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1779,1780,
 igr2=1300,1301,
 &end
#
#    43  ILE  QG2    43  ILE  HG1+      3.5   (#  2886:20 Unique)
 &rst
  ixpk= 2886, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 631, 632, 633,
 igr2= 635, 636,
 &end
#
#    73  CYS  HA     74  LEU  HG        5.5   (#  2887:20 Unique)
 &rst
  ixpk= 2887, nxpk= 20, iat=1094,1110, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  20-2:2888   0  AMB  20-1:2888     7.0   (#  2888:20 Double)
 &rst
  ixpk= 2888, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=13.34, r4=13.84,
 igr1= 336, 337, 338, 340, 341, 342, 336, 337, 338, 340,
       341, 342,
 igr2=1096,1097,1096,1097,
 &end
#
#    24  LEU  MDY   101  GLN  HB+       5.5   (#  2890:20 Unique)
 &rst
  ixpk= 2890, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 355, 356, 357, 359, 360, 361,
 igr2=1510,1511,
 &end
#
#    80  SER  HN     80  SER  HB+       7.0   (#  2892:20 Unique)
 &rst
  ixpk= 2892, nxpk= 20, iat=1186,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1190,1191,
 &end
#
#    19  VAL  MGY    80  SER  HB+       5.5   (#  2893:20 Unique)
 &rst
  ixpk= 2893, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 257, 258, 259, 261, 262, 263,
 igr2=1190,1191,
 &end
#
#    19  VAL  MGX    80  SER  HB+       7.0   (#  2894:20 Unique)
 &rst
  ixpk= 2894, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1= 257, 258, 259, 261, 262, 263,
 igr2=1190,1191,
 &end
#
#    89  HIS  HB-    80  SER  HB-       7.0   (#  2895:20 Unique)
 &rst
  ixpk= 2895, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1338,1339,
 igr2=1190,1191,
 &end
#
#    89  HIS  HB-    80  SER  HB+       7.0   (#  2896:20 Unique)
 &rst
  ixpk= 2896, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1338,1339,
 igr2=1190,1191,
 &end
#
#     0  AMB  20-2:2897  19  VAL  MGX       7.0   (#  2897:20 Single)
 &rst
  ixpk= 2897, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1=1169, 289,
 igr2= 257, 258, 259, 261, 262, 263,
 &end
#
#     0  AMB  20-2:2898  19  VAL  MGY       7.0   (#  2898:20 Single)
 &rst
  ixpk= 2898, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1=1169, 289,
 igr2= 257, 258, 259, 261, 262, 263,
 &end
#
#    80  SER  HN     90  VAL  HA        7.0   (#  2899:20 Unique)
 &rst
  ixpk= 2899, nxpk= 20, iat=1186,1353, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#     0  AMB  20-2:2900  29  SER  HA        5.5   (#  2900:20 Single)
 &rst
  ixpk= 2900, nxpk= 20, iat=  -1, 443, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 456, 457, 458, 546, 547, 548,
 &end
#
#   109  ILE  QD1   118  VAL  MGY       5.5   (#  2903:20 Unique)
 &rst
  ixpk= 2903, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1644,1645,1646,
 igr2=1793,1794,1795,1797,1798,1799,
 &end
#
#   108  LYS  HA    108  LYS  HB2       7.0   (#  2905:20 Unique)
 &rst
  ixpk= 2905, nxpk= 20, iat=1611,1613, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    69  CYS  HB3    64  MET  HA         7.0   (#  2906:20 Single)
 &rst
  ixpk= 2906, nxpk= 20, iat=1048, 965, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   117  GLU  HA    118  VAL  MGX       7.0   (#  2909:20 Unique)
 &rst
  ixpk= 2909, nxpk= 20, iat=1774,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2=1793,1794,1795,1797,1798,1799,
 &end
#
#     0  AMB  20-2:2910  23  VAL  MGX       7.0   (#  2910:20 Single)
 &rst
  ixpk= 2910, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1=1122,1136,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
#    97  TYR  HD     23  VAL  MGX       7.0   (#  2911:20 Unique)
 &rst
  ixpk= 2911, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1=1462,1471,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
#     0  AMB  20-2:2912  30  ALA  HA        4.5   (#  2912:20 Single)
 &rst
  ixpk= 2912, nxpk= 20, iat=  -1, 454, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 554, 502,
 &end
#
# 106 THR HN 102 HIS O 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1580,1538, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, 
      rk2=40.0, rk3=40.0, ir6=1, ialtd=0,
 &end
#
# 106 THR N 102 HIS O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1579,1538, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 107 GLU HN 103 ALA O 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1594,1548, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 107 GLU N 103 ALA O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1593,1548, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 108 LYS HN 104 ILE O  1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1609,1567, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 108 LYS N 104 ILE O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1608,1567, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 109 ILE HN 105 SER O 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1631,1578, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 109 ILE N 105 SER O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1630,1578, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 110 LYS HN 106 THR O 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1650,1592, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 110 LYS N 106 THR O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1649,1592, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 111 ALA HN 107 GLU O  1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1672,1607, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 111 ALA N 107 GLU O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1671,1607, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 112 LYS HN 108 LYS O  1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1682,1629, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 112 LYS N 108 LYS O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1681,1629, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 57 TYR HN 53 HIS O 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 862, 819, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 57 TYR N 53 HIS O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 861, 819, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 58 ASP HN 54 ALA O 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 883, 829, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 58 ASP N 54 ALA O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 882, 829, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 59 LYS HN 55 ASP O 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 895, 841, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 59 LYS N 55 ASP O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 894, 841, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 60 VAL HN 56 ILE O 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 917, 860, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 60 VAL N 56 ILE O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 916, 860, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 61 SER HN 57 TYR O  1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 933, 881, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 61 SER N 57 TYR O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 932, 881, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 62 GLY HN 58 ASP O  1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 944, 893, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 62 GLY N 58 ASP O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 943, 893, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 63 ASP HN 59 LYS O  1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 951, 915, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 63 ASP N 59 LYS O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 950, 915, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 64 MET HN 60 VAL O  1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 963, 931, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 64 MET N 60 VAL O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 962, 931, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 65 GLN HN 61 SER O  1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 980, 942, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 65 GLN N 61 SER O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 979, 942, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 66 LYS HN 62 GLY O 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 997, 949, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 66 LYS N 62 GLY O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 996, 949, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 67 GLN HN 63 ASP O 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1019, 961, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 67 GLN N 63 ASP O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1018, 961, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 28 HIS HN 70 ASP O 1.8 2.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 424,1064, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 28 HIS N 70 ASP O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 423,1064, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 26 ARG HN 72 GLU O  1.8 2.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 384,1090, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 26 ARG N 72 GLU O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 383,1090, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 72 GLU HN 26 ARG O  1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1077, 406, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 72 GLU N 26 ARG O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1076, 406, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 27 VAL HN 41 LYS O  1.8 2.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 408, 608, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 27 VAL N 41 LYS O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 407, 608, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 41 LYS HN 27 VAL O  1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 588, 422, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 41 LYS N 27 VAL O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 587, 422, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 29 SER HN 39 GLU O 1.8 2.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 441, 575, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 29 SER N 39 GLU O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 440, 575, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 25 ILE HN 43 ILE O  1.8 2.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 365, 642, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 25 ILE N 43 ILE O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 364, 642, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 43 ILE HN 25 ILE O  1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 625, 382, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 43 ILE N 25 ILE O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 624, 382, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 23 VAL HN 45 ARG O 1.8 2.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 330, 682, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 23 VAL N 45 ARG O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 329, 682, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 23 VAL O 45 ARG HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 344, 660, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 23 VAL O 45 ARG N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 344, 659, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 24 LEU HN 75 GLY O 1.8 2.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 346,1127, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 24 LEU N 75 GLY O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 345,1127, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 22 TYR O 77 GLY HN 1.8 2.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 328,1136, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 22 TYR O 77 GLY N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 328,1135, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 90 VAL HN 119 THR O  1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1351,1815, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 90 VAL N 119 THR O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1350,1815, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 78 ARG HN 91 TYR O  1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1143,1386, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 78 ARG N 91 TYR O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1142,1386, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 91 TYR HN 78 ARG O 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1367,1165, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 91 TYR N 78 ARG O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1366,1165, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
#    77  GLY  HA+    78  ARG  HN        2.8   (#     0:10 Unique)
 &rst
  ixpk= 0, nxpk= 10, iat=  -1,1143, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr1=1138,1139,
 &end
#
#    77  GLY  HA-    78  ARG  HN        3.5   (#     1:10 Unique)
 &rst
  ixpk= 1, nxpk= 10, iat=  -1,1143, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1138,1139,
 &end
#
#   120  TRP  HD1   120  TRP  HE1       2.8   (#     2:10 Unique)
 &rst
  ixpk= 2, nxpk= 10, iat=1825,1827, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   103  ALA  HA    120  TRP  HE1       3.5   (#     4:10 Unique)
 &rst
  ixpk= 4, nxpk= 10, iat=1542,1827, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  10-2:5 120  TRP  HE1       4.5   (#     5:10 Single)
 &rst
  ixpk= 5, nxpk= 10, iat=  -1,1827, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1586,1587,1588,1809,1810,1811,
 &end
#
#   103  ALA  MB    120  TRP  HE1       2.8   (#     6:10 Unique)
 &rst
  ixpk= 6, nxpk= 10, iat=  -1,1827, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1544,1545,1546,
 &end
#
#   117  GLU  HA    118  VAL  HN        2.8   (#     7:10 Unique)
 &rst
  ixpk= 7, nxpk= 10, iat=1774,1787, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   118  VAL  MGX   118  VAL  HN        2.8   (#     8:10 Unique)
 &rst
  ixpk= 8, nxpk= 10, iat=  -1,1787, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1793,1794,1795,1797,1798,1799,
 &end
#
#     0  AMB  10-2:9 118  VAL  HN        2.8   (#     9:10 Single)
 &rst
  ixpk= 9, nxpk= 10, iat=  -1,1787, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1791,1776,1777,
 &end
#
#   123  ASP  HA    124  GLY  HN        3.5   (#    10:10 Unique)
 &rst
  ixpk= 10, nxpk= 10, iat=1867,1877, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   124  GLY  HA+   124  GLY  HN        2.8   (#    11:10 Unique)
 &rst
  ixpk= 11, nxpk= 10, iat=  -1,1877, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1879,1880,
 &end
#
#   124  GLY  HA-   124  GLY  HN        2.8   (#    12:10 Unique)
 &rst
  ixpk= 12, nxpk= 10, iat=  -1,1877, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1879,1880,
 &end
#
#   123  ASP  HB+   124  GLY  HN        3.5   (#    13:10 Unique)
 &rst
  ixpk= 13, nxpk= 10, iat=  -1,1877, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1869,1870,
 &end
#
#    67  GLN  HA     68  GLY  HN        3.5   (#    15:10 Unique)
 &rst
  ixpk= 15, nxpk= 10, iat=1021,1036, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    67  GLN  HN     68  GLY  HN        2.8   (#    16:10 Unique)
 &rst
  ixpk= 16, nxpk= 10, iat=1019,1036, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     0  AMB  10-2:17  68  GLY  HN        3.5   (#    17:10 Single)
 &rst
  ixpk= 17, nxpk= 10, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 982, 965,
 &end
#
#    68  GLY  HA+    68  GLY  HN        2.8   (#    18:10 Unique)
 &rst
  ixpk= 18, nxpk= 10, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1038,1039,
 &end
#
#    68  GLY  HA-    68  GLY  HN        2.8   (#    19:10 Unique)
 &rst
  ixpk= 19, nxpk= 10, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1038,1039,
 &end
#
#     0  AMB  10-2:20  68  GLY  HN        3.5   (#    20:10 Single)
 &rst
  ixpk= 20, nxpk= 10, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1024,1047,1026,1027,
 &end
#
#    44  VAL  HA     45  ARG  HN        2.8   (#    21:10 Unique)
 &rst
  ixpk= 21, nxpk= 10, iat= 646, 660, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     0  AMB  10-2:22  45  ARG  HN        3.5   (#    22:10 Single)
 &rst
  ixpk= 22, nxpk= 10, iat=  -1, 660, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 336, 337, 338, 340, 341, 342, 378, 379, 380, 856,
       857, 858,
 &end
#
#     0  AMB  10-2:23  45  ARG  HN        3.5   (#    23:10 Single)
 &rst
  ixpk= 23, nxpk= 10, iat=  -1, 660, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 650, 651, 652, 654, 655, 656, 375, 376, 849, 850,
       851,
 &end
#
#     0  AMB  10-2:24  45  ARG  HN        3.5   (#    24:10 Single)
 &rst
  ixpk= 24, nxpk= 10, iat=  -1, 660, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 650, 651, 652, 654, 655, 656, 196, 197, 198,
 &end
#
#    89  HIS  HA     90  VAL  HN        2.8   (#    25:10 Unique)
 &rst
  ixpk= 25, nxpk= 10, iat=1336,1351, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    90  VAL  HB     90  VAL  HN        3.5   (#    26:10 Unique)
 &rst
  ixpk= 26, nxpk= 10, iat=1355,1351, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    90  VAL  MGY    90  VAL  HN        3.5   (#    27:10 Unique)
 &rst
  ixpk= 27, nxpk= 10, iat=  -1,1351, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1357,1358,1359,1361,1362,1363,
 &end
#
#    75  GLY  HN     74  LEU  HN        2.8   (#    28:10 Unique)
 &rst
  ixpk= 28, nxpk= 10, iat=1122,1103, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    25  ILE  HA     74  LEU  HN        3.5   (#    29:10 Unique)
 &rst
  ixpk= 29, nxpk= 10, iat= 367,1103, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    74  LEU  HA     74  LEU  HN        3.5   (#    30:10 Unique)
 &rst
  ixpk= 30, nxpk= 10, iat=1105,1103, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    73  CYS  HA     74  LEU  HN        2.8   (#    31:10 Unique)
 &rst
  ixpk= 31, nxpk= 10, iat=1094,1103, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     0  AMB  10-2:32  74  LEU  HN        3.5   (#    32:10 Single)
 &rst
  ixpk= 32, nxpk= 10, iat=  -1,1103, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1108, 375, 376,
 &end
#
#    74  LEU  HG     74  LEU  HN        2.8   (#    33:10 Unique)
 &rst
  ixpk= 33, nxpk= 10, iat=1110,1103, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    74  LEU  HB2    74  LEU  HN        3.5   (#    34:10 Unique)
 &rst
  ixpk= 34, nxpk= 10, iat=1107,1103, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  10-2:35  74  LEU  HN        3.5   (#    35:10 Single)
 &rst
  ixpk= 35, nxpk= 10, iat=  -1,1103, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1112,1113,1114,1116,1117,1118, 355, 356, 357, 359,
       360, 361,
 &end
#
#    74  LEU  HN     75  GLY  HN        2.8   (#    36:10 Unique)
 &rst
  ixpk= 36, nxpk= 10, iat=1103,1122, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     0  AMB  10-2:37  75  GLY  HN        3.5   (#    37:10 Single)
 &rst
  ixpk= 37, nxpk= 10, iat=  -1,1122, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1105, 332,
 &end
#
#    73  CYS  HA     75  GLY  HN        3.5   (#    38:10 Unique)
 &rst
  ixpk= 38, nxpk= 10, iat=1094,1122, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    75  GLY  HA+    75  GLY  HN        3.5   (#    39:10 Unique)
 &rst
  ixpk= 39, nxpk= 10, iat=  -1,1122, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1124,1125,
 &end
#
#    75  GLY  HA-    75  GLY  HN        2.8   (#    40:10 Unique)
 &rst
  ixpk= 40, nxpk= 10, iat=  -1,1122, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1124,1125,
 &end
#
#     0  AMB  10-2:41  75  GLY  HN        4.5   (#    41:10 Single)
 &rst
  ixpk= 41, nxpk= 10, iat=  -1,1122, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1500,1501,1502,1112,1113,1114,1116,1117,1118,
 &end
#
#    52  TYR  HN     51  GLU  HN        3.5   (#    42:10 Unique)
 &rst
  ixpk= 42, nxpk= 10, iat= 783, 768, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    50  ALA  HA     51  GLU  HN        2.8   (#    43:10 Unique)
 &rst
  ixpk= 43, nxpk= 10, iat= 760, 768, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    51  GLU  HA     51  GLU  HN        3.5   (#    44:10 Unique)
 &rst
  ixpk= 44, nxpk= 10, iat= 770, 768, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  10-2:45  51  GLU  HN        2.8   (#    45:10 Single)
 &rst
  ixpk= 45, nxpk= 10, iat=  -1, 768, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 775, 776, 772, 773,
 &end
#
#    50  ALA  MB     51  GLU  HN        3.5   (#    46:10 Unique)
 &rst
  ixpk= 46, nxpk= 10, iat=  -1, 768, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 762, 763, 764,
 &end
#
#     0  AMB  10-2:49   4  ALA  HN        4.5   (#    49:10 Single)
 &rst
  ixpk= 49, nxpk= 10, iat=  -1,  47, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  31,  57,
 &end
#
#     4  ALA  HA      4  ALA  HN        3.5   (#    50:10 Unique)
 &rst
  ixpk= 50, nxpk= 10, iat=  49,  47, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     4  ALA  HN      3  VAL  HB         2.8   (#    51:10 Unique)
 &rst
  ixpk= 51, nxpk= 10, iat=  47,  35, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     4  ALA  HN      3  VAL  HB         3.5   (#    52:10 Unique)
 &rst
  ixpk= 52, nxpk= 10, iat=  47,  35, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     4  ALA  MB      4  ALA  HN        2.8   (#    53:10 Unique)
 &rst
  ixpk= 53, nxpk= 10, iat=  -1,  47, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=  51,  52,  53,
 &end
#
#     0  AMB  10-2:54   4  ALA  HN        3.5   (#    54:10 Single)
 &rst
  ixpk= 54, nxpk= 10, iat=  -1,  47, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=  37,  38,  39,  41,  42,  43,  37,  38,  39,  41,
        42,  43,
 &end
#
#    72  GLU  HN     26  ARG  HN        3.5   (#    55:10 Unique)
 &rst
  ixpk= 55, nxpk= 10, iat=1077, 384, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  10-2:56  26  ARG  HN        3.5   (#    56:10 Single)
 &rst
  ixpk= 56, nxpk= 10, iat=  -1, 384, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 388, 617, 618,
 &end
#
#    26  ARG  HB3    26  ARG  HN        3.5   (#    57:10 Unique)
 &rst
  ixpk= 57, nxpk= 10, iat= 389, 384, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    25  ILE  HA     26  ARG  HN        2.8   (#    58:10 Unique)
 &rst
  ixpk= 58, nxpk= 10, iat= 367, 384, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     0  AMB  10-2:59  26  ARG  HN        2.8   (#    59:10 Single)
 &rst
  ixpk= 59, nxpk= 10, iat=  -1, 384, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr1= 371, 372, 373, 391, 392,
 &end
#
#     0  AMB  10-2:60  77  GLY  HN        2.8   (#    60:10 Single)
 &rst
  ixpk= 60, nxpk= 10, iat=  -1,1136, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1131,1132,1138,1139,
 &end
#
#    76  GLY  HA-    77  GLY  HN        2.8   (#    61:10 Unique)
 &rst
  ixpk= 61, nxpk= 10, iat=  -1,1136, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1131,1132,
 &end
#
#     0  AMB  10-2:62  77  GLY  HN        4.5   (#    62:10 Single)
 &rst
  ixpk= 62, nxpk= 10, iat=  -1,1136, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
 igr1= 292, 336, 337, 338, 340, 341, 342, 336, 337, 338,
       340, 341, 342,
 &end
#
#     0  AMB  10-2:63  25  ILE  HN        4.5   (#    63:10 Single)
 &rst
  ixpk= 63, nxpk= 10, iat=  -1, 365, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 635, 636, 353,
 &end
#
#     0  AMB  10-2:64  25  ILE  HN        2.8   (#    64:10 Single)
 &rst
  ixpk= 64, nxpk= 10, iat=  -1, 365, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 369, 375, 376,
 &end
#
#    24  LEU  HA     25  ILE  HN        2.8   (#    65:10 Unique)
 &rst
  ixpk= 65, nxpk= 10, iat= 348, 365, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    24  LEU  MDY    25  ILE  HN        2.8   (#    66:10 Unique)
 &rst
  ixpk= 66, nxpk= 10, iat=  -1, 365, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 355, 356, 357, 359, 360, 361,
 &end
#
#    41  LYS  HN     27  VAL  HN        3.5   (#    67:10 Unique)
 &rst
  ixpk= 67, nxpk= 10, iat= 588, 408, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    27  VAL  HN     42  GLU  HA         3.5   (#    68:10 Single)
 &rst
  ixpk= 68, nxpk= 10, iat= 408, 612, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    26  ARG  HA     27  VAL  HN        2.8   (#    69:10 Unique)
 &rst
  ixpk= 69, nxpk= 10, iat= 386, 408, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    27  VAL  HB     27  VAL  HN        3.5   (#    70:10 Unique)
 &rst
  ixpk= 70, nxpk= 10, iat= 412, 408, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  10-2:71  27  VAL  HN        2.8   (#    71:10 Single)
 &rst
  ixpk= 71, nxpk= 10, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 414, 415, 416, 418, 419, 420, 391, 392,
 &end
#
#    29  SER  HA     30  ALA  HN        2.8   (#    72:10 Unique)
 &rst
  ixpk= 72, nxpk= 10, iat= 443, 452, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    30  ALA  HN     30  ALA  MB         2.8   (#    73:10 Unique)
 &rst
  ixpk= 73, nxpk= 10, iat= 452,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 456, 457, 458,
 &end
#
#    30  ALA  HN     29  SER  HA         2.8   (#    74:10 Unique)
 &rst
  ixpk= 74, nxpk= 10, iat= 452, 443, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     2  ALA  HN      2  ALA  MB         3.5   (#    75:10 Double)
 &rst
  ixpk= 75, nxpk= 10, iat=  21,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  25,  26,  27,
 &end
#
#    45  ARG  HE     13  ASP  HN        3.5   (#    76:10 Unique)
 &rst
  ixpk= 76, nxpk= 10, iat= 673, 178, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    12  VAL  HA     13  ASP  HN        2.8   (#    77:10 Unique)
 &rst
  ixpk= 77, nxpk= 10, iat= 164, 178, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     0  AMB  10-2:78  13  ASP  HN        3.5   (#    78:10 Single)
 &rst
  ixpk= 78, nxpk= 10, iat=  -1, 178, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 648, 629,
 &end
#
#    12  VAL  MGY    13  ASP  HN        3.5   (#    79:10 Unique)
 &rst
  ixpk= 79, nxpk= 10, iat=  -1, 178, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 168, 169, 170, 172, 173, 174,
 &end
#
#     0  AMB  10-2:80  13  ASP  HN        2.8   (#    80:10 Single)
 &rst
  ixpk= 80, nxpk= 10, iat=  -1, 178, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 196, 197, 198, 168, 169, 170, 172, 173, 174,
 &end
#
#     1  MET  HA      2  ALA  HN        3.5   (#    82:10 Unique)
 &rst
  ixpk= 82, nxpk= 10, iat=   6,  21, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  10-2:83 100  ALA  HN        3.5   (#    83:10 Single)
 &rst
  ixpk= 83, nxpk= 10, iat=  -1,1496, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1533, 319, 324,1136,
 &end
#
#    76  GLY  HN    100  ALA  HN        3.5   (#    84:10 Unique)
 &rst
  ixpk= 84, nxpk= 10, iat=1129,1496, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    99  PRO  HA    100  ALA  HN        2.8   (#    85:10 Unique)
 &rst
  ixpk= 85, nxpk= 10, iat=1492,1496, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   100  ALA  HA    100  ALA  HN        3.5   (#    86:10 Unique)
 &rst
  ixpk= 86, nxpk= 10, iat=1498,1496, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   100  ALA  MB    100  ALA  HN        2.8   (#    87:10 Unique)
 &rst
  ixpk= 87, nxpk= 10, iat=  -1,1496, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1500,1501,1502,
 &end
#
#    76  GLY  HN     98  GLY  HN         3.5   (#    88:10 Single)
 &rst
  ixpk= 88, nxpk= 10, iat=1129,1475, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   100  ALA  HN     76  GLY  HN        3.5   (#    89:10 Unique)
 &rst
  ixpk= 89, nxpk= 10, iat=1496,1129, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    75  GLY  HA+    76  GLY  HN        2.8   (#    90:10 Unique)
 &rst
  ixpk= 90, nxpk= 10, iat=  -1,1129, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1124,1125,
 &end
#
#     0  AMB  10-2:91  76  GLY  HN        2.8   (#    91:10 Single)
 &rst
  ixpk= 91, nxpk= 10, iat=  -1,1129, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1124,1125,1131,1132,
 &end
#
#   100  ALA  MB     76  GLY  HN        3.5   (#    92:10 Unique)
 &rst
  ixpk= 92, nxpk= 10, iat=  -1,1129, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1500,1501,1502,
 &end
#
#    76  GLY  HA+    76  GLY  HN        4.5   (#    93:10 Unique)
 &rst
  ixpk= 93, nxpk= 10, iat=  -1,1129, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1131,1132,
 &end
#
#    72  GLU  HA     73  CYS  HN        2.8   (#    94:10 Unique)
 &rst
  ixpk= 94, nxpk= 10, iat=1079,1092, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    73  CYS  HB+    73  CYS  HN        3.5   (#    97:10 Unique)
 &rst
  ixpk= 97, nxpk= 10, iat=  -1,1092, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1096,1097,
 &end
#
#    24  LEU  HB+    24  LEU  HN        3.5   (#    98:10 Unique)
 &rst
  ixpk= 98, nxpk= 10, iat=  -1, 346, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 350, 351,
 &end
#
#    24  LEU  HB-    24  LEU  HN        3.5   (#    99:10 Unique)
 &rst
  ixpk= 99, nxpk= 10, iat=  -1, 346, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 350, 351,
 &end
#
#     0  AMB  10-2:100  24  LEU  HN        2.8   (#   100:10 Single)
 &rst
  ixpk= 100, nxpk= 10, iat=  -1, 346, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 336, 337, 338, 340, 341, 342, 336, 337, 338, 340,
       341, 342,
 &end
#
#    23  VAL  HA     24  LEU  HN        2.8   (#   101:10 Unique)
 &rst
  ixpk= 101, nxpk= 10, iat= 332, 346, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     0  AMB  10-2:102  24  LEU  HN        4.5   (#   102:10 Single)
 &rst
  ixpk= 102, nxpk= 10, iat=  -1, 346, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 334,1096,1097,
 &end
#
#     0  AMB  10-2:103 102  HIS  HN        4.5   (#   103:10 Single)
 &rst
  ixpk= 103, nxpk= 10, iat=  -1,1523, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1510,1511,1554,
 &end
#
#   103  ALA  HN    102  HIS  HN        3.5   (#   104:10 Unique)
 &rst
  ixpk= 104, nxpk= 10, iat=1540,1523, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  10-2:105 102  HIS  HN        2.8   (#   105:10 Single)
 &rst
  ixpk= 105, nxpk= 10, iat=  -1,1523, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1508,1525,
 &end
#
#   102  HIS  HB3   102  HIS  HN        4.5   (#   106:10 Unique)
 &rst
  ixpk= 106, nxpk= 10, iat=1528,1523, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   102  HIS  HB2   102  HIS  HN        3.5   (#   107:10 Unique)
 &rst
  ixpk= 107, nxpk= 10, iat=1527,1523, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     6  LEU  HA      6  LEU  HN        3.5   (#   108:10 Unique)
 &rst
  ixpk= 108, nxpk= 10, iat=  71,  69, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     7  ALA  HN      6  LEU  HN        3.5   (#   109:10 Unique)
 &rst
  ixpk= 109, nxpk= 10, iat=  88,  69, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     5  ASP  HA      6  LEU  HN        2.8   (#   110:10 Unique)
 &rst
  ixpk= 110, nxpk= 10, iat=  59,  69, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     6  LEU  HG      6  LEU  HN        2.8   (#   111:10 Unique)
 &rst
  ixpk= 111, nxpk= 10, iat=  76,  69, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     6  LEU  HB3     6  LEU  HN        3.5   (#   112:10 Unique)
 &rst
  ixpk= 112, nxpk= 10, iat=  74,  69, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    35  ALA  HA     35  ALA  HN        3.5   (#   113:10 Unique)
 &rst
  ixpk= 113, nxpk= 10, iat= 520, 518, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  10-2:114  35  ALA  HN        3.5   (#   114:10 Single)
 &rst
  ixpk= 114, nxpk= 10, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 513, 514, 504, 505,
 &end
#
#    34  GLY  HA-    35  ALA  HN        3.5   (#   115:10 Unique)
 &rst
  ixpk= 115, nxpk= 10, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 513, 514,
 &end
#
#    35  ALA  MB     35  ALA  HN        2.8   (#   116:10 Unique)
 &rst
  ixpk= 116, nxpk= 10, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 522, 523, 524,
 &end
#
#    82  GLN  HA     82  GLN  HN        3.5   (#   119:10 Unique)
 &rst
  ixpk= 119, nxpk= 10, iat=1216,1214, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    82  GLN  HB+    82  GLN  HN        3.5   (#   120:10 Unique)
 &rst
  ixpk= 120, nxpk= 10, iat=  -1,1214, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1218,1219,
 &end
#
#    82  GLN  HG+    82  GLN  HN        4.5   (#   123:10 Unique)
 &rst
  ixpk= 123, nxpk= 10, iat=  -1,1214, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1221,1222,
 &end
#
#    28  HIS  HB2    28  HIS  HN        3.5   (#   124:10 Unique)
 &rst
  ixpk= 124, nxpk= 10, iat= 428, 424, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    63  ASP  HA     63  ASP  HN        2.8   (#   125:10 Unique)
 &rst
  ixpk= 125, nxpk= 10, iat= 953, 951, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     0  AMB  10-2:126  63  ASP  HN        4.5   (#   126:10 Single)
 &rst
  ixpk= 126, nxpk= 10, iat=  -1, 951, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 897, 935,
 &end
#
#    62  GLY  HA+    63  ASP  HN        2.8   (#   127:10 Unique)
 &rst
  ixpk= 127, nxpk= 10, iat=  -1, 951, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 946, 947,
 &end
#
#    64  MET  HN     63  ASP  HN        2.8   (#   128:10 Unique)
 &rst
  ixpk= 128, nxpk= 10, iat= 963, 951, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    62  GLY  HN     63  ASP  HN        2.8   (#   129:10 Unique)
 &rst
  ixpk= 129, nxpk= 10, iat= 944, 951, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     0  AMB  10-2:130  63  ASP  HN        2.8   (#   130:10 Single)
 &rst
  ixpk= 130, nxpk= 10, iat=  -1, 951, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 946, 947, 919,
 &end
#
#    63  ASP  HB3    63  ASP  HN        2.8   (#   131:10 Unique)
 &rst
  ixpk= 131, nxpk= 10, iat= 956, 951, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    63  ASP  HB2    63  ASP  HN        2.8   (#   132:10 Unique)
 &rst
  ixpk= 132, nxpk= 10, iat= 955, 951, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    28  HIS  HN     28  HIS  HB3        4.5   (#   133:10 Unique)
 &rst
  ixpk= 133, nxpk= 10, iat= 424, 429, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    71  CYS  HA     28  HIS  HN        4.5   (#   134:10 Unique)
 &rst
  ixpk= 134, nxpk= 10, iat=1068, 424, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    27  VAL  HA     28  HIS  HN        2.8   (#   135:10 Unique)
 &rst
  ixpk= 135, nxpk= 10, iat= 410, 424, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    27  VAL  MGY    28  HIS  HN        3.5   (#   136:10 Unique)
 &rst
  ixpk= 136, nxpk= 10, iat=  -1, 424, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 414, 415, 416, 418, 419, 420,
 &end
#
#     9  ILE  HA      9  ILE  HN        3.5   (#   144:10 Unique)
 &rst
  ixpk= 144, nxpk= 10, iat= 119, 117, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     9  ILE  HN      8  LEU  HA         3.5   (#   145:10 Unique)
 &rst
  ixpk= 145, nxpk= 10, iat= 117, 100, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     9  ILE  HB      9  ILE  HN        2.8   (#   146:10 Unique)
 &rst
  ixpk= 146, nxpk= 10, iat= 121, 117, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     9  ILE  HG1-    9  ILE  HN        2.8   (#   147:10 Unique)
 &rst
  ixpk= 147, nxpk= 10, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 127, 128,
 &end
#
#     9  ILE  HG1+    9  ILE  HN        3.5   (#   148:10 Unique)
 &rst
  ixpk= 148, nxpk= 10, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 127, 128,
 &end
#
#     0  AMB  10-2:149   9  ILE  HN        3.5   (#   149:10 Single)
 &rst
  ixpk= 149, nxpk= 10, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 130, 131, 132, 123, 124, 125,
 &end
#
#    64  MET  HN     65  GLN  HN        2.8   (#   150:10 Unique)
 &rst
  ixpk= 150, nxpk= 10, iat= 963, 980, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    66  LYS  HN     65  GLN  HN        3.5   (#   151:10 Unique)
 &rst
  ixpk= 151, nxpk= 10, iat= 997, 980, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  10-2:152  65  GLN  HN        2.8   (#   152:10 Single)
 &rst
  ixpk= 152, nxpk= 10, iat=  -1, 980, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 982, 965,
 &end
#
#     0  AMB  10-2:153  65  GLN  HN        4.5   (#   153:10 Single)
 &rst
  ixpk= 153, nxpk= 10, iat=  -1, 980, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 935, 999,
 &end
#
#    65  GLN  HG+    65  GLN  HN        3.5   (#   154:10 Unique)
 &rst
  ixpk= 154, nxpk= 10, iat=  -1, 980, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 987, 988,
 &end
#
#    65  GLN  HG-    65  GLN  HN        3.5   (#   155:10 Unique)
 &rst
  ixpk= 155, nxpk= 10, iat=  -1, 980, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 987, 988,
 &end
#
#    65  GLN  HB2    65  GLN  HN        2.8   (#   156:10 Unique)
 &rst
  ixpk= 156, nxpk= 10, iat= 984, 980, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    37  ALA  HN     36  PRO  HB-        4.5   (#   157:10 Single)
 &rst
  ixpk= 157, nxpk= 10, iat= 542,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 535, 536,
 &end
#
#     0  AMB  10-2:158  50  ALA  HN        2.8   (#   158:10 Single)
 &rst
  ixpk= 158, nxpk= 10, iat=  -1, 758, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 760, 736,
 &end
#
#    49  TRP  HH2    50  ALA  HN        5.5   (#   159:10 Unique)
 &rst
  ixpk= 159, nxpk= 10, iat= 749, 758, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    50  ALA  MB     50  ALA  HN        2.8   (#   160:10 Unique)
 &rst
  ixpk= 160, nxpk= 10, iat=  -1, 758, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 762, 763, 764,
 &end
#
#    36  PRO  HA     37  ALA  HN        2.8   (#   161:10 Unique)
 &rst
  ixpk= 161, nxpk= 10, iat= 538, 542, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     0  AMB  10-2:162  37  ALA  HN        2.8   (#   162:10 Single)
 &rst
  ixpk= 162, nxpk= 10, iat=  -1, 542, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 546, 547, 548, 522, 523, 524,
 &end
#
#    37  ALA  HN     36  PRO  HB+        4.5   (#   163:10 Single)
 &rst
  ixpk= 163, nxpk= 10, iat= 542,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 535, 536,
 &end
#
#   106  THR  HN    107  GLU  HN        3.5   (#   164:10 Unique)
 &rst
  ixpk= 164, nxpk= 10, iat=1580,1594, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   107  GLU  HA    107  GLU  HN        2.8   (#   165:10 Unique)
 &rst
  ixpk= 165, nxpk= 10, iat=1596,1594, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   104  ILE  HA    107  GLU  HN        4.5   (#   166:10 Unique)
 &rst
  ixpk= 166, nxpk= 10, iat=1552,1594, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   107  GLU  HG+   107  GLU  HN        3.5   (#   167:10 Unique)
 &rst
  ixpk= 167, nxpk= 10, iat=  -1,1594, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1601,1602,
 &end
#
#   107  GLU  HB+   107  GLU  HN        2.8   (#   168:10 Unique)
 &rst
  ixpk= 168, nxpk= 10, iat=  -1,1594, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1598,1599,
 &end
#
#   106  THR  MG2   107  GLU  HN        4.5   (#   169:10 Unique)
 &rst
  ixpk= 169, nxpk= 10, iat=  -1,1594, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1586,1587,1588,
 &end
#
#    78  ARG  HN     91  TYR  HN        3.5   (#   170:10 Unique)
 &rst
  ixpk= 170, nxpk= 10, iat=1143,1367, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    90  VAL  HA     91  TYR  HN        2.8   (#   171:10 Unique)
 &rst
  ixpk= 171, nxpk= 10, iat=1353,1367, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    91  TYR  HD     91  TYR  HN        2.8   (#   172:10 Unique)
 &rst
  ixpk= 172, nxpk= 10, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1375,1384,
 &end
#
#     0  AMB  10-2:173  91  TYR  HN        4.5   (#   173:10 Single)
 &rst
  ixpk= 173, nxpk= 10, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1377,1382,1536,
 &end
#
#    90  VAL  MGX    91  TYR  HN        3.5   (#   174:10 Unique)
 &rst
  ixpk= 174, nxpk= 10, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1357,1358,1359,1361,1362,1363,
 &end
#
#     0  AMB  10-2:175  91  TYR  HN        3.5   (#   175:10 Single)
 &rst
  ixpk= 175, nxpk= 10, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1357,1358,1359,1361,1362,1363,1147,1148,
 &end
#
#    69  CYS  HB3    70  ASP  HN        3.5   (#   176:10 Unique)
 &rst
  ixpk= 176, nxpk= 10, iat=1048,1054, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    70  ASP  HB+    70  ASP  HN        3.5   (#   177:10 Unique)
 &rst
  ixpk= 177, nxpk= 10, iat=  -1,1054, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1058,1059,
 &end
#
#     0  AMB  10-2:179  70  ASP  HN        2.8   (#   179:10 Single)
 &rst
  ixpk= 179, nxpk= 10, iat=  -1,1054, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1058,1059,1047,
 &end
#
#   104  ILE  HN    103  ALA  HN        3.5   (#   180:10 Unique)
 &rst
  ixpk= 180, nxpk= 10, iat=1550,1540, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  10-2:181   0  AMB  10-1:181     3.5   (#   181:10 Double)
 &rst
  ixpk= 181, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1525,1508,1190,1191,
 igr2=1540, 267,
 &end
#
#     0  AMB  10-2:182   0  AMB  10-1:182     2.8   (#   182:10 Double)
 &rst
  ixpk= 182, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=1544,1545,1546, 257, 258, 259, 261, 262, 263,
 igr2=1540, 267,
 &end
#
#     0  AMB  10-2:183   0  AMB  10-1:183     3.5   (#   183:10 Double)
 &rst
  ixpk= 183, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 271, 272,1542,
 igr2= 267,1540,
 &end
#
#    19  VAL  HA     20  PHE  HN        2.8   (#   184:10 Unique)
 &rst
  ixpk= 184, nxpk= 10, iat= 253, 267, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    54  ALA  MB     54  ALA  HN        2.8   (#   190:10 Unique)
 &rst
  ixpk= 190, nxpk= 10, iat=  -1, 821, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 825, 826, 827,
 &end
#
#    43  ILE  HA     44  VAL  HN        2.8   (#   192:10 Unique)
 &rst
  ixpk= 192, nxpk= 10, iat= 627, 644, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     0  AMB  10-2:193  44  VAL  HN        2.8   (#   193:10 Single)
 &rst
  ixpk= 193, nxpk= 10, iat=  -1, 644, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 648, 629,
 &end
#
#    44  VAL  MGY    44  VAL  HN        3.5   (#   194:10 Unique)
 &rst
  ixpk= 194, nxpk= 10, iat=  -1, 644, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 650, 651, 652, 654, 655, 656,
 &end
#
#     0  AMB  10-2:195  44  VAL  HN        3.5   (#   195:10 Single)
 &rst
  ixpk= 195, nxpk= 10, iat=  -1, 644, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 631, 632, 633, 355, 356, 357, 359, 360, 361,
 &end
#
#     0  AMB  10-2:196  44  VAL  HN        2.8   (#   196:10 Single)
 &rst
  ixpk= 196, nxpk= 10, iat=  -1, 644, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 650, 651, 652, 654, 655, 656, 168, 169, 170, 172,
       173, 174,
 &end
#
#    12  VAL  HA     44  VAL  HN        3.5   (#   197:10 Unique)
 &rst
  ixpk= 197, nxpk= 10, iat= 164, 644, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   120  TRP  HB+   121  ALA  HN        2.8   (#   198:10 Unique)
 &rst
  ixpk= 198, nxpk= 10, iat=  -1,1841, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1821,1822,
 &end
#
#   120  TRP  HA    121  ALA  HN        2.8   (#   199:10 Unique)
 &rst
  ixpk= 199, nxpk= 10, iat=1819,1841, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   121  ALA  MB    121  ALA  HN        3.5   (#   200:10 Unique)
 &rst
  ixpk= 200, nxpk= 10, iat=  -1,1841, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1845,1846,1847,
 &end
#
#   108  LYS  HN    109  ILE  HN        3.5   (#   201:10 Unique)
 &rst
  ixpk= 201, nxpk= 10, iat=1609,1631, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  10-2:202 109  ILE  HN        3.5   (#   202:10 Single)
 &rst
  ixpk= 202, nxpk= 10, iat=  -1,1631, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1633,1582,
 &end
#
#     0  AMB  10-2:203 109  ILE  HN        2.8   (#   203:10 Single)
 &rst
  ixpk= 203, nxpk= 10, iat=  -1,1631, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1641,1642,1613,
 &end
#
#     0  AMB  10-2:204 109  ILE  HN        2.8   (#   204:10 Single)
 &rst
  ixpk= 204, nxpk= 10, iat=  -1,1631, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1635,1614,
 &end
#
#     0  AMB  10-2:205 109  ILE  HN        3.5   (#   205:10 Single)
 &rst
  ixpk= 205, nxpk= 10, iat=  -1,1631, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 168, 169, 170, 172, 173, 174, 650, 651, 652, 654,
       655, 656,
 &end
#
#     0  AMB  10-2:206  58  ASP  HN        2.8   (#   206:10 Single)
 &rst
  ixpk= 206, nxpk= 10, iat=  -1, 883, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 895, 870, 879,
 &end
#
#    57  TYR  HN     58  ASP  HN        3.5   (#   207:10 Unique)
 &rst
  ixpk= 207, nxpk= 10, iat= 862, 883, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    58  ASP  HA     58  ASP  HN        2.8   (#   208:10 Unique)
 &rst
  ixpk= 208, nxpk= 10, iat= 885, 883, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     0  AMB  10-2:209  58  ASP  HN        3.5   (#   209:10 Single)
 &rst
  ixpk= 209, nxpk= 10, iat=  -1, 883, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 864, 845,
 &end
#
#    57  TYR  HB3    58  ASP  HN        3.5   (#   210:10 Unique)
 &rst
  ixpk= 210, nxpk= 10, iat= 867, 883, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    58  ASP  HB+    58  ASP  HN        2.8   (#   211:10 Unique)
 &rst
  ixpk= 211, nxpk= 10, iat=  -1, 883, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 887, 888,
 &end
#
#    58  ASP  HB-    58  ASP  HN        2.8   (#   212:10 Unique)
 &rst
  ixpk= 212, nxpk= 10, iat=  -1, 883, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 887, 888,
 &end
#
#    39  GLU  HA     39  GLU  HN        3.5   (#   213:10 Unique)
 &rst
  ixpk= 213, nxpk= 10, iat= 564, 562, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  10-2:214  39  GLU  HN        2.8   (#   214:10 Single)
 &rst
  ixpk= 214, nxpk= 10, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 554, 544,
 &end
#
#    39  GLU  HB+    39  GLU  HN        3.5   (#   215:10 Unique)
 &rst
  ixpk= 215, nxpk= 10, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 566, 567,
 &end
#
#    39  GLU  HB-    39  GLU  HN        2.8   (#   216:10 Unique)
 &rst
  ixpk= 216, nxpk= 10, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 566, 567,
 &end
#
#     0  AMB  10-2:217  39  GLU  HN        3.5   (#   217:10 Single)
 &rst
  ixpk= 217, nxpk= 10, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 569, 570, 569, 570,
 &end
#
#    38  ALA  MB     39  GLU  HN        4.5   (#   218:10 Unique)
 &rst
  ixpk= 218, nxpk= 10, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 556, 557, 558,
 &end
#
#   110  LYS  HB+   110  LYS  HN        3.5   (#   219:10 Unique)
 &rst
  ixpk= 219, nxpk= 10, iat=  -1,1650, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1654,1655,
 &end
#
#   109  ILE  HB    110  LYS  HN        3.5   (#   220:10 Unique)
 &rst
  ixpk= 220, nxpk= 10, iat=1635,1650, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   110  LYS  HB-   110  LYS  HN        3.5   (#   221:10 Unique)
 &rst
  ixpk= 221, nxpk= 10, iat=  -1,1650, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1654,1655,
 &end
#
#    58  ASP  HN     59  LYS  HN        3.5   (#   222:10 Unique)
 &rst
  ixpk= 222, nxpk= 10, iat= 883, 895, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    60  VAL  HN     59  LYS  HN        2.8   (#   223:10 Unique)
 &rst
  ixpk= 223, nxpk= 10, iat= 917, 895, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     0  AMB  10-2:224  59  LYS  HN        2.8   (#   224:10 Single)
 &rst
  ixpk= 224, nxpk= 10, iat=  -1, 895, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 897, 885,
 &end
#
#    58  ASP  HB+    59  LYS  HN        3.5   (#   225:10 Unique)
 &rst
  ixpk= 225, nxpk= 10, iat=  -1, 895, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 887, 888,
 &end
#
#    58  ASP  HB-    59  LYS  HN        3.5   (#   226:10 Unique)
 &rst
  ixpk= 226, nxpk= 10, iat=  -1, 895, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 887, 888,
 &end
#
#     0  AMB  10-2:227  59  LYS  HN        2.8   (#   227:10 Single)
 &rst
  ixpk= 227, nxpk= 10, iat=  -1, 895, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 899, 900, 899, 900,
 &end
#
#    59  LYS  HG+    59  LYS  HN        4.5   (#   228:10 Unique)
 &rst
  ixpk= 228, nxpk= 10, iat=  -1, 895, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 902, 903,
 &end
#
#    20  PHE  HA     21  LYS  HN        2.8   (#   229:10 Unique)
 &rst
  ixpk= 229, nxpk= 10, iat= 269, 287, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     0  AMB  10-2:230  21  LYS  HN        3.5   (#   230:10 Single)
 &rst
  ixpk= 230, nxpk= 10, iat=  -1, 287, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 271, 272,1153,1154,
 &end
#
#     0  AMB  10-2:231  21  LYS  HN        3.5   (#   231:10 Single)
 &rst
  ixpk= 231, nxpk= 10, iat=  -1, 287, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 297, 298, 291,
 &end
#
#     0  AMB  10-2:232   0  AMB  10-1:232     3.5   (#   232:10 Double)
 &rst
  ixpk= 232, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr1= 292, 257, 258, 259, 261, 262, 263, 762, 763, 764,
       856, 857, 858,
 igr2= 287,1167,
 &end
#
#    19  VAL  HA     19  VAL  HN        3.5   (#   233:10 Unique)
 &rst
  ixpk= 233, nxpk= 10, iat= 253, 251, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    80  SER  HB+    19  VAL  HN        4.5   (#   236:10 Unique)
 &rst
  ixpk= 236, nxpk= 10, iat=  -1, 251, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1190,1191,
 &end
#
#    19  VAL  HB     19  VAL  HN        2.8   (#   237:10 Unique)
 &rst
  ixpk= 237, nxpk= 10, iat= 255, 251, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    19  VAL  MGY    19  VAL  HN        2.8   (#   238:10 Unique)
 &rst
  ixpk= 238, nxpk= 10, iat=  -1, 251, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 257, 258, 259, 261, 262, 263,
 &end
#
#    19  VAL  MGX    19  VAL  HN        4.5   (#   239:10 Unique)
 &rst
  ixpk= 239, nxpk= 10, iat=  -1, 251, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 257, 258, 259, 261, 262, 263,
 &end
#
#     6  LEU  HN      7  ALA  HN        2.8   (#   240:10 Unique)
 &rst
  ixpk= 240, nxpk= 10, iat=  69,  88, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     8  LEU  HN      7  ALA  HN        2.8   (#   241:10 Unique)
 &rst
  ixpk= 241, nxpk= 10, iat=  98,  88, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     5  ASP  HA      7  ALA  HN        4.5   (#   242:10 Unique)
 &rst
  ixpk= 242, nxpk= 10, iat=  59,  88, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     7  ALA  HA      7  ALA  HN        2.8   (#   243:10 Unique)
 &rst
  ixpk= 243, nxpk= 10, iat=  90,  88, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     7  ALA  HN      6  LEU  HA         3.5   (#   244:10 Unique)
 &rst
  ixpk= 244, nxpk= 10, iat=  88,  71, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     6  LEU  HB2     7  ALA  HN        3.5   (#   245:10 Unique)
 &rst
  ixpk= 245, nxpk= 10, iat=  73,  88, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     7  ALA  HN      7  ALA  MB         2.8   (#   246:10 Unique)
 &rst
  ixpk= 246, nxpk= 10, iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=  92,  93,  94,
 &end
#
#     0  AMB  10-2:247  42  GLU  HN        2.8   (#   247:10 Single)
 &rst
  ixpk= 247, nxpk= 10, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 592, 593, 614, 615,
 &end
#
#    42  GLU  HB-    42  GLU  HN        3.5   (#   248:10 Unique)
 &rst
  ixpk= 248, nxpk= 10, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 614, 615,
 &end
#
#     0  AMB  10-2:249  42  GLU  HN        3.5   (#   249:10 Single)
 &rst
  ixpk= 249, nxpk= 10, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 595, 596, 414, 415, 416, 418, 419, 420,
 &end
#
#    41  LYS  HA     42  GLU  HN        2.8   (#   250:10 Unique)
 &rst
  ixpk= 250, nxpk= 10, iat= 590, 610, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     5  ASP  HB+     5  ASP  HN        3.5   (#   251:10 Unique)
 &rst
  ixpk= 251, nxpk= 10, iat=  -1,  57, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  61,  62,
 &end
#
#     4  ALA  MB      5  ASP  HN        3.5   (#   252:10 Unique)
 &rst
  ixpk= 252, nxpk= 10, iat=  -1,  57, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  51,  52,  53,
 &end
#
#     5  ASP  HN      5  ASP  HA         3.5   (#   253:10 Unique)
 &rst
  ixpk= 253, nxpk= 10, iat=  57,  59, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     4  ALA  HA      5  ASP  HN        2.8   (#   254:10 Unique)
 &rst
  ixpk= 254, nxpk= 10, iat=  49,  57, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     5  ASP  HB-     5  ASP  HN        2.8   (#   255:10 Unique)
 &rst
  ixpk= 255, nxpk= 10, iat=  -1,  57, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=  61,  62,
 &end
#
#     5  ASP  HN      5  ASP  HB+        3.5   (#   256:10 Unique)
 &rst
  ixpk= 256, nxpk= 10, iat=  57,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  61,  62,
 &end
#
#     4  ALA  MB      5  ASP  HN        3.5   (#   257:10 Unique)
 &rst
  ixpk= 257, nxpk= 10, iat=  -1,  57, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  51,  52,  53,
 &end
#
#     3  VAL  HA      3  VAL  HN        2.8   (#   259:10 Unique)
 &rst
  ixpk= 259, nxpk= 10, iat=  33,  31, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     0  AMB  10-2:260   3  VAL  HN        2.8   (#   260:10 Single)
 &rst
  ixpk= 260, nxpk= 10, iat=  -1,  31, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=  37,  38,  39,  41,  42,  43,  37,  38,  39,  41,
        42,  43,
 &end
#
#     4  ALA  HN      3  VAL  HN        4.5   (#   261:10 Unique)
 &rst
  ixpk= 261, nxpk= 10, iat=  47,  31, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     2  ALA  HA      3  VAL  HN        2.8   (#   262:10 Unique)
 &rst
  ixpk= 262, nxpk= 10, iat=  23,  31, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     3  VAL  HB      3  VAL  HN        3.5   (#   263:10 Unique)
 &rst
  ixpk= 263, nxpk= 10, iat=  35,  31, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     2  ALA  MB      3  VAL  HN        3.5   (#   264:10 Unique)
 &rst
  ixpk= 264, nxpk= 10, iat=  -1,  31, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  25,  26,  27,
 &end
#
#   100  ALA  HA    101  GLN  HN        2.8   (#   265:10 Unique)
 &rst
  ixpk= 265, nxpk= 10, iat=1498,1506, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   101  GLN  HA    101  GLN  HN        2.8   (#   266:10 Unique)
 &rst
  ixpk= 266, nxpk= 10, iat=1508,1506, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   101  GLN  HG-   101  GLN  HN        3.5   (#   267:10 Unique)
 &rst
  ixpk= 267, nxpk= 10, iat=  -1,1506, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1513,1514,
 &end
#
#   101  GLN  HB+   101  GLN  HN        2.8   (#   268:10 Unique)
 &rst
  ixpk= 268, nxpk= 10, iat=  -1,1506, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1510,1511,
 &end
#
#   101  GLN  HB-   101  GLN  HN        2.8   (#   269:10 Unique)
 &rst
  ixpk= 269, nxpk= 10, iat=  -1,1506, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1510,1511,
 &end
#
#   101  GLN  HN    100  ALA  MB         3.5   (#   270:10 Single)
 &rst
  ixpk= 270, nxpk= 10, iat=1506,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1500,1501,1502,
 &end
#
#   103  ALA  HN    104  ILE  HN        3.5   (#   271:10 Unique)
 &rst
  ixpk= 271, nxpk= 10, iat=1540,1550, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   105  SER  HN    104  ILE  HN        2.8   (#   272:10 Unique)
 &rst
  ixpk= 272, nxpk= 10, iat=1569,1550, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     0  AMB  10-2:273 104  ILE  HN        2.8   (#   273:10 Single)
 &rst
  ixpk= 273, nxpk= 10, iat=  -1,1550, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1554,1510,1511,
 &end
#
#   104  ILE  HG1-  104  ILE  HN        3.5   (#   274:10 Unique)
 &rst
  ixpk= 274, nxpk= 10, iat=  -1,1550, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1560,1561,
 &end
#
#   104  ILE  HG1+  104  ILE  HN        3.5   (#   275:10 Unique)
 &rst
  ixpk= 275, nxpk= 10, iat=  -1,1550, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1560,1561,
 &end
#
#   103  ALA  MB    104  ILE  HN        3.5   (#   276:10 Unique)
 &rst
  ixpk= 276, nxpk= 10, iat=  -1,1550, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1544,1545,1546,
 &end
#
#     0  AMB  10-2:277 104  ILE  HN        3.5   (#   277:10 Single)
 &rst
  ixpk= 277, nxpk= 10, iat=  -1,1550, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1563,1564,1565,1556,1557,1558,
 &end
#
#     0  AMB  10-2:278 119  THR  HN        2.8   (#   278:10 Single)
 &rst
  ixpk= 278, nxpk= 10, iat=  -1,1803, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1793,1794,1795,1797,1798,1799,1793,1794,1795,1797,
      1798,1799,
 &end
#
#   118  VAL  HA    119  THR  HN        2.8   (#   279:10 Unique)
 &rst
  ixpk= 279, nxpk= 10, iat=1789,1803, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    65  GLN  HN     64  MET  HN        2.8   (#   280:10 Unique)
 &rst
  ixpk= 280, nxpk= 10, iat= 980, 963, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    63  ASP  HN     64  MET  HN        2.8   (#   281:10 Unique)
 &rst
  ixpk= 281, nxpk= 10, iat= 951, 963, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    64  MET  HA     64  MET  HN        2.8   (#   282:10 Unique)
 &rst
  ixpk= 282, nxpk= 10, iat= 965, 963, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    63  ASP  HB3    64  MET  HN        3.5   (#   283:10 Unique)
 &rst
  ixpk= 283, nxpk= 10, iat= 956, 963, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    64  MET  HN     64  MET  HG+        3.5   (#   284:10 Unique)
 &rst
  ixpk= 284, nxpk= 10, iat= 963,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 970, 971,
 &end
#
#    64  MET  HG-    64  MET  HN        3.5   (#   285:10 Unique)
 &rst
  ixpk= 285, nxpk= 10, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 970, 971,
 &end
#
#    64  MET  HB2    64  MET  HN        2.8   (#   286:10 Unique)
 &rst
  ixpk= 286, nxpk= 10, iat= 967, 963, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    64  MET  HB3    64  MET  HN        3.5   (#   287:10 Unique)
 &rst
  ixpk= 287, nxpk= 10, iat= 968, 963, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   122  ASN  HA    123  ASP  HN        3.5   (#   288:10 Unique)
 &rst
  ixpk= 288, nxpk= 10, iat=1853,1865, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   123  ASP  HA    123  ASP  HN        2.8   (#   289:10 Unique)
 &rst
  ixpk= 289, nxpk= 10, iat=1867,1865, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   123  ASP  HB+   123  ASP  HN        2.8   (#   290:10 Unique)
 &rst
  ixpk= 290, nxpk= 10, iat=  -1,1865, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1869,1870,
 &end
#
#   121  ALA  MB    123  ASP  HN        3.5   (#   291:10 Unique)
 &rst
  ixpk= 291, nxpk= 10, iat=  -1,1865, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1845,1846,1847,
 &end
#
#    65  GLN  HN     66  LYS  HN        3.5   (#   292:10 Unique)
 &rst
  ixpk= 292, nxpk= 10, iat= 980, 997, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    67  GLN  HN     66  LYS  HN        3.5   (#   293:10 Unique)
 &rst
  ixpk= 293, nxpk= 10, iat=1019, 997, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  10-2:294  66  LYS  HN        4.5   (#   294:10 Single)
 &rst
  ixpk= 294, nxpk= 10, iat=  -1, 997, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 982, 965,
 &end
#
#    66  LYS  HA     66  LYS  HN        2.8   (#   295:10 Unique)
 &rst
  ixpk= 295, nxpk= 10, iat= 999, 997, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     0  AMB  10-2:296  66  LYS  HN        2.8   (#   296:10 Single)
 &rst
  ixpk= 296, nxpk= 10, iat=  -1, 997, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 984, 985,
 &end
#
#    66  LYS  HB+    66  LYS  HN        2.8   (#   297:10 Unique)
 &rst
  ixpk= 297, nxpk= 10, iat=  -1, 997, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1001,1002,
 &end
#
#    66  LYS  HG+    66  LYS  HN        2.8   (#   298:10 Unique)
 &rst
  ixpk= 298, nxpk= 10, iat=  -1, 997, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1004,1005,
 &end
#
#    66  LYS  HG-    66  LYS  HN        3.5   (#   299:10 Unique)
 &rst
  ixpk= 299, nxpk= 10, iat=  -1, 997, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1004,1005,
 &end
#
#   104  ILE  HA    104  ILE  HN        3.5   (#   300:10 Unique)
 &rst
  ixpk= 300, nxpk= 10, iat=1552,1550, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    21  LYS  HA     22  TYR  HN        2.8   (#   301:10 Unique)
 &rst
  ixpk= 301, nxpk= 10, iat= 289, 309, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    77  GLY  HN     22  TYR  HN        3.5   (#   302:10 Unique)
 &rst
  ixpk= 302, nxpk= 10, iat=1136, 309, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    21  LYS  HB3    22  TYR  HN        3.5   (#   303:10 Unique)
 &rst
  ixpk= 303, nxpk= 10, iat= 292, 309, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    26  ARG  HN     72  GLU  HN        3.5   (#   304:10 Unique)
 &rst
  ixpk= 304, nxpk= 10, iat= 384,1077, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   122  ASN  HB-   122  ASN  HN        5.5   (#   306:10 Unique)
 &rst
  ixpk= 306, nxpk= 10, iat=  -1,1851, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1855,1856,
 &end
#
#    71  CYS  HB3    72  GLU  HN        3.5   (#   307:10 Unique)
 &rst
  ixpk= 307, nxpk= 10, iat=1071,1077, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  10-2:308  72  GLU  HN        3.5   (#   308:10 Single)
 &rst
  ixpk= 308, nxpk= 10, iat=  -1,1077, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1084,1085,1084,1085,
 &end
#
#    72  GLU  HB+    72  GLU  HN        3.5   (#   309:10 Unique)
 &rst
  ixpk= 309, nxpk= 10, iat=  -1,1077, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1081,1082,
 &end
#
#    72  GLU  HB-    72  GLU  HN        3.5   (#   310:10 Unique)
 &rst
  ixpk= 310, nxpk= 10, iat=  -1,1077, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1081,1082,
 &end
#
#     0  AMB  10-2:311  72  GLU  HN        2.8   (#   311:10 Single)
 &rst
  ixpk= 311, nxpk= 10, iat=  -1,1077, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 371, 372, 373, 414, 415, 416, 418, 419, 420,
 &end
#
#   121  ALA  HA    122  ASN  HN        3.5   (#   312:10 Unique)
 &rst
  ixpk= 312, nxpk= 10, iat=1843,1851, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   122  ASN  HB-   122  ASN  HN        4.5   (#   313:10 Unique)
 &rst
  ixpk= 313, nxpk= 10, iat=  -1,1851, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1855,1856,
 &end
#
#   121  ALA  MB    122  ASN  HN        4.5   (#   314:10 Unique)
 &rst
  ixpk= 314, nxpk= 10, iat=  -1,1851, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1845,1846,1847,
 &end
#
#     0  AMB  10-2:315  60  VAL  HN        2.8   (#   315:10 Single)
 &rst
  ixpk= 315, nxpk= 10, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 899, 900, 899, 900,
 &end
#
#    61  SER  HN     60  VAL  HN        2.8   (#   316:10 Unique)
 &rst
  ixpk= 316, nxpk= 10, iat= 933, 917, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    59  LYS  HN     60  VAL  HN        2.8   (#   317:10 Unique)
 &rst
  ixpk= 317, nxpk= 10, iat= 895, 917, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     0  AMB  10-2:318  60  VAL  HN        3.5   (#   318:10 Single)
 &rst
  ixpk= 318, nxpk= 10, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 897, 885,
 &end
#
#     0  AMB  10-2:319  60  VAL  HN        2.8   (#   319:10 Single)
 &rst
  ixpk= 319, nxpk= 10, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 919, 864, 845,
 &end
#
#    60  VAL  HB     60  VAL  HN        2.8   (#   320:10 Unique)
 &rst
  ixpk= 320, nxpk= 10, iat= 921, 917, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    60  VAL  MGY    60  VAL  HN        2.8   (#   321:10 Unique)
 &rst
  ixpk= 321, nxpk= 10, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 923, 924, 925, 927, 928, 929,
 &end
#
#    60  VAL  MGX    60  VAL  HN        3.5   (#   322:10 Unique)
 &rst
  ixpk= 322, nxpk= 10, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 923, 924, 925, 927, 928, 929,
 &end
#
#    56  ILE  HN     57  TYR  HN        2.8   (#   323:10 Unique)
 &rst
  ixpk= 323, nxpk= 10, iat= 843, 862, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    57  TYR  HD     57  TYR  HN        4.5   (#   324:10 Unique)
 &rst
  ixpk= 324, nxpk= 10, iat=  -1, 862, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 870, 879,
 &end
#
#    56  ILE  HB     57  TYR  HN        2.8   (#   325:10 Unique)
 &rst
  ixpk= 325, nxpk= 10, iat= 847, 862, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     0  AMB  10-2:326   0  AMB  10-1:326     2.8   (#   326:10 Double)
 &rst
  ixpk= 326, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 168, 169, 170, 172, 173, 174, 336, 337, 338, 340,
       341, 342, 336, 337, 338, 340, 341, 342,
 igr2=1704, 862,
 &end
#
#    58  ASP  HN     57  TYR  HN        3.5   (#   327:10 Unique)
 &rst
  ixpk= 327, nxpk= 10, iat= 883, 862, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  10-2:328  57  TYR  HN        2.8   (#   328:10 Single)
 &rst
  ixpk= 328, nxpk= 10, iat=  -1, 862, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 864, 845,
 &end
#
#    57  TYR  HB3    57  TYR  HN        2.8   (#   329:10 Unique)
 &rst
  ixpk= 329, nxpk= 10, iat= 867, 862, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    57  TYR  HB2    57  TYR  HN        2.8   (#   330:10 Unique)
 &rst
  ixpk= 330, nxpk= 10, iat= 866, 862, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   112  LYS  HN    113  TYR  HN        2.8   (#   331:10 Unique)
 &rst
  ixpk= 331, nxpk= 10, iat=1682,1704, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     0  AMB  10-2:332   0  AMB  10-1:332     3.5   (#   332:10 Double)
 &rst
  ixpk= 332, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1686,1687, 853, 854,
 igr2=1704, 862,
 &end
#
#    79  ILE  HA     80  SER  HN        3.5   (#   333:10 Unique)
 &rst
  ixpk= 333, nxpk= 10, iat=1169,1186, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   113  TYR  HN    112  LYS  HN        2.8   (#   334:10 Unique)
 &rst
  ixpk= 334, nxpk= 10, iat=1704,1682, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   111  ALA  HN    112  LYS  HN        3.5   (#   335:10 Unique)
 &rst
  ixpk= 335, nxpk= 10, iat=1672,1682, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   112  LYS  HB+   112  LYS  HN        3.5   (#   336:10 Unique)
 &rst
  ixpk= 336, nxpk= 10, iat=  -1,1682, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1686,1687,
 &end
#
#   112  LYS  HB-   112  LYS  HN        2.8   (#   337:10 Unique)
 &rst
  ixpk= 337, nxpk= 10, iat=  -1,1682, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1686,1687,
 &end
#
#   111  ALA  MB    112  LYS  HN        2.8   (#   338:10 Unique)
 &rst
  ixpk= 338, nxpk= 10, iat=  -1,1682, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1676,1677,1678,
 &end
#
#     0  AMB  10-2:339 112  LYS  HN        2.8   (#   339:10 Single)
 &rst
  ixpk= 339, nxpk= 10, iat=  -1,1682, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1684,1674,1611,
 &end
#
#   112  LYS  HG+   112  LYS  HN        4.5   (#   340:10 Unique)
 &rst
  ixpk= 340, nxpk= 10, iat=  -1,1682, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1689,1690,
 &end
#
#    69  CYS  HN     65  GLN  HA         2.8   (#   342:10 Unique)
 &rst
  ixpk= 342, nxpk= 10, iat=1043, 982, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    69  CYS  HN     68  GLY  HA+        3.5   (#   343:10 Unique)
 &rst
  ixpk= 343, nxpk= 10, iat=1043,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1038,1039,
 &end
#
#    68  GLY  HA-    69  CYS  HN        3.5   (#   344:10 Unique)
 &rst
  ixpk= 344, nxpk= 10, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1038,1039,
 &end
#
#    69  CYS  HB3    69  CYS  HN        4.5   (#   345:10 Unique)
 &rst
  ixpk= 345, nxpk= 10, iat=1048,1043, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    69  CYS  HB2    69  CYS  HN        2.8   (#   346:10 Unique)
 &rst
  ixpk= 346, nxpk= 10, iat=1047,1043, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    64  MET  HB3    69  CYS  HN        3.5   (#   347:10 Unique)
 &rst
  ixpk= 347, nxpk= 10, iat= 968,1043, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    67  GLN  HN     69  CYS  HN        4.5   (#   348:10 Unique)
 &rst
  ixpk= 348, nxpk= 10, iat=1019,1043, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   110  LYS  HB+   111  ALA  HN        3.5   (#   349:10 Unique)
 &rst
  ixpk= 349, nxpk= 10, iat=  -1,1672, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1654,1655,
 &end
#
#   111  ALA  MB    111  ALA  HN        2.8   (#   350:10 Unique)
 &rst
  ixpk= 350, nxpk= 10, iat=  -1,1672, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1676,1677,1678,
 &end
#
#   110  LYS  HN    111  ALA  HN        3.5   (#   351:10 Unique)
 &rst
  ixpk= 351, nxpk= 10, iat=1650,1672, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   112  LYS  HN    111  ALA  HN        2.8   (#   352:10 Unique)
 &rst
  ixpk= 352, nxpk= 10, iat=1682,1672, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     0  AMB  10-2:353 111  ALA  HN        2.8   (#   353:10 Single)
 &rst
  ixpk= 353, nxpk= 10, iat=  -1,1672, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1674,1611,
 &end
#
#   110  LYS  HB-   111  ALA  HN        3.5   (#   354:10 Unique)
 &rst
  ixpk= 354, nxpk= 10, iat=  -1,1672, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1654,1655,
 &end
#
#     0  AMB  10-2:355 111  ALA  HN        3.5   (#   355:10 Single)
 &rst
  ixpk= 355, nxpk= 10, iat=  -1,1672, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1657,1658,1660,1661,1686,1687,1635,1614,
 &end
#
#    27  VAL  HN     41  LYS  HN        3.5   (#   356:10 Unique)
 &rst
  ixpk= 356, nxpk= 10, iat= 408, 588, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    40  SER  HA     41  LYS  HN        2.8   (#   357:10 Unique)
 &rst
  ixpk= 357, nxpk= 10, iat= 579, 588, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    41  LYS  HA     41  LYS  HN        3.5   (#   358:10 Unique)
 &rst
  ixpk= 358, nxpk= 10, iat= 590, 588, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    40  SER  HB3    41  LYS  HN        3.5   (#   359:10 Unique)
 &rst
  ixpk= 359, nxpk= 10, iat= 582, 588, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    40  SER  HB2    41  LYS  HN        3.5   (#   360:10 Unique)
 &rst
  ixpk= 360, nxpk= 10, iat= 581, 588, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    41  LYS  HB-    41  LYS  HN        3.5   (#   361:10 Unique)
 &rst
  ixpk= 361, nxpk= 10, iat=  -1, 588, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 592, 593,
 &end
#
#     0  AMB  10-2:362  41  LYS  HN        3.5   (#   362:10 Single)
 &rst
  ixpk= 362, nxpk= 10, iat=  -1, 588, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 595, 596, 414, 415, 416, 418, 419, 420, 391, 392,
      
 &end
#
#     6  LEU  MDX    41  LYS  HN        3.5   (#   363:10 Unique)
 &rst
  ixpk= 363, nxpk= 10, iat=  -1, 588, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  78,  79,  80,  82,  83,  84,
 &end
#
#     0  AMB  10-2:364  41  LYS  HN        4.5   (#   364:10 Single)
 &rst
  ixpk= 364, nxpk= 10, iat=  -1, 588, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 426, 386,
 &end
#
#    14  ILE  HN     14  ILE  HA         3.5   (#   365:10 Double)
 &rst
  ixpk= 365, nxpk= 10, iat= 190, 192, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    13  ASP  HB2     0  AMB  10-1:366     4.5   (#   366:10 Single)
 &rst
  ixpk= 366, nxpk= 10, iat= 182,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 162, 190,
 &end
#
#    13  ASP  HN      0  AMB  10-1:367     4.5   (#   367:10 Single)
 &rst
  ixpk= 367, nxpk= 10, iat= 178,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 162, 190,
 &end
#
#    13  ASP  HA     14  ILE  HN        2.8   (#   368:10 Unique)
 &rst
  ixpk= 368, nxpk= 10, iat= 180, 190, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    12  VAL  HA     12  VAL  HN        3.5   (#   369:10 Unique)
 &rst
  ixpk= 369, nxpk= 10, iat= 164, 162, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  10-2:370  12  VAL  HN        2.8   (#   370:10 Single)
 &rst
  ixpk= 370, nxpk= 10, iat=  -1, 162, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 154, 155,1695,1696,
 &end
#
#    12  VAL  HN     12  VAL  HB         3.5   (#   371:10 Unique)
 &rst
  ixpk= 371, nxpk= 10, iat= 162, 166, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  10-2:372   0  AMB  10-1:372     2.8   (#   372:10 Double)
 &rst
  ixpk= 372, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 200, 201, 143, 144,1692,1693,
 igr2= 190, 162,
 &end
#
#     0  AMB  10-2:373   0  AMB  10-1:373     2.8   (#   373:10 Double)
 &rst
  ixpk= 373, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 168, 169, 170, 172, 173, 174, 200, 201,
 igr2= 162, 190,
 &end
#
#    12  VAL  HN     12  VAL  MGX        2.8   (#   374:10 Double)
 &rst
  ixpk= 374, nxpk= 10, iat= 162,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 168, 169, 170, 172, 173, 174,
 &end
#
#    47  TYR  HD     47  TYR  HN        3.5   (#   375:10 Unique)
 &rst
  ixpk= 375, nxpk= 10, iat=  -1, 691, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 699, 708,
 &end
#
#    46  GLY  HA+    47  TYR  HN        2.8   (#   376:10 Unique)
 &rst
  ixpk= 376, nxpk= 10, iat=  -1, 691, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 686, 687,
 &end
#
#    46  GLY  HA-    47  TYR  HN        2.8   (#   377:10 Unique)
 &rst
  ixpk= 377, nxpk= 10, iat=  -1, 691, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 686, 687,
 &end
#
#    56  ILE  QD1    47  TYR  HN        2.8   (#   378:10 Unique)
 &rst
  ixpk= 378, nxpk= 10, iat=  -1, 691, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 856, 857, 858,
 &end
#
#    70  ASP  HA     71  CYS  HN        2.8   (#   379:10 Unique)
 &rst
  ixpk= 379, nxpk= 10, iat=1056,1066, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    11  ASP  HB-    12  VAL  HN        3.5   (#   380:10 Unique)
 &rst
  ixpk= 380, nxpk= 10, iat=  -1, 162, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 154, 155,
 &end
#
#    71  CYS  HA     71  CYS  HN        3.5   (#   381:10 Unique)
 &rst
  ixpk= 381, nxpk= 10, iat=1068,1066, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  10-2:382  71  CYS  HN        3.5   (#   382:10 Single)
 &rst
  ixpk= 382, nxpk= 10, iat=  -1,1066, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1058,1059, 987, 988,
 &end
#
#    70  ASP  HB-    71  CYS  HN        4.5   (#   383:10 Unique)
 &rst
  ixpk= 383, nxpk= 10, iat=  -1,1066, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1058,1059,
 &end
#
#    71  CYS  HB2    71  CYS  HN        3.5   (#   384:10 Unique)
 &rst
  ixpk= 384, nxpk= 10, iat=1070,1066, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   109  ILE  HN    108  LYS  HN        3.5   (#   385:10 Unique)
 &rst
  ixpk= 385, nxpk= 10, iat=1631,1609, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   108  LYS  HA    108  LYS  HN        3.5   (#   386:10 Unique)
 &rst
  ixpk= 386, nxpk= 10, iat=1611,1609, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   107  GLU  HB+   108  LYS  HN        3.5   (#   387:10 Unique)
 &rst
  ixpk= 387, nxpk= 10, iat=  -1,1609, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1598,1599,
 &end
#
#   108  LYS  HB2   108  LYS  HN        3.5   (#   388:10 Unique)
 &rst
  ixpk= 388, nxpk= 10, iat=1613,1609, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  10-2:389 108  LYS  HN        2.8   (#   389:10 Single)
 &rst
  ixpk= 389, nxpk= 10, iat=  -1,1609, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1616,1617,1614,
 &end
#
#   108  LYS  HG+   108  LYS  HN        3.5   (#   390:10 Unique)
 &rst
  ixpk= 390, nxpk= 10, iat=  -1,1609, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1616,1617,
 &end
#
#    57  TYR  HN     56  ILE  HN        3.5   (#   391:10 Unique)
 &rst
  ixpk= 391, nxpk= 10, iat= 862, 843, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  10-2:392  56  ILE  HN        3.5   (#   392:10 Single)
 &rst
  ixpk= 392, nxpk= 10, iat=  -1, 843, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 845, 806,
 &end
#
#    56  ILE  HB     56  ILE  HN        3.5   (#   393:10 Unique)
 &rst
  ixpk= 393, nxpk= 10, iat= 847, 843, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    56  ILE  HG1-   56  ILE  HN        3.5   (#   394:10 Unique)
 &rst
  ixpk= 394, nxpk= 10, iat=  -1, 843, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 853, 854,
 &end
#
#     0  AMB  10-2:395  56  ILE  HN        2.8   (#   395:10 Single)
 &rst
  ixpk= 395, nxpk= 10, iat=  -1, 843, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 762, 763, 764, 856, 857, 858, 336, 337, 338, 340,
       341, 342,
 &end
#
#    56  ILE  HG1+   56  ILE  HN        3.5   (#   396:10 Unique)
 &rst
  ixpk= 396, nxpk= 10, iat=  -1, 843, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 853, 854,
 &end
#
#    40  SER  HA     29  SER  HN        3.5   (#   397:10 Unique)
 &rst
  ixpk= 397, nxpk= 10, iat= 579, 441, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    28  HIS  HA     29  SER  HN        2.8   (#   398:10 Unique)
 &rst
  ixpk= 398, nxpk= 10, iat= 426, 441, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    29  SER  HA     29  SER  HN        3.5   (#   399:10 Unique)
 &rst
  ixpk= 399, nxpk= 10, iat= 443, 441, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    29  SER  HB+    29  SER  HN        3.5   (#   400:10 Unique)
 &rst
  ixpk= 400, nxpk= 10, iat=  -1, 441, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 445, 446,
 &end
#
#    29  SER  HB-    29  SER  HN        3.5   (#   401:10 Unique)
 &rst
  ixpk= 401, nxpk= 10, iat=  -1, 441, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 445, 446,
 &end
#
#    28  HIS  HB3    29  SER  HN        3.5   (#   402:10 Unique)
 &rst
  ixpk= 402, nxpk= 10, iat= 429, 441, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     6  LEU  MDX    29  SER  HN        3.5   (#   403:10 Unique)
 &rst
  ixpk= 403, nxpk= 10, iat=  -1, 441, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  78,  79,  80,  82,  83,  84,
 &end
#
#    51  GLU  HB-    52  TYR  HN        3.5   (#   404:10 Unique)
 &rst
  ixpk= 404, nxpk= 10, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 772, 773,
 &end
#
#    51  GLU  HN     52  TYR  HN        2.8   (#   405:10 Unique)
 &rst
  ixpk= 405, nxpk= 10, iat= 768, 783, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     0  AMB  10-2:406  52  TYR  HN        3.5   (#   406:10 Single)
 &rst
  ixpk= 406, nxpk= 10, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 831, 791, 800,
 &end
#
#    52  TYR  HB-    52  TYR  HN        3.5   (#   407:10 Unique)
 &rst
  ixpk= 407, nxpk= 10, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 787, 788,
 &end
#
#     0  AMB  10-2:408  52  TYR  HN        3.5   (#   408:10 Single)
 &rst
  ixpk= 408, nxpk= 10, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 775, 776, 772, 773,
 &end
#
#    54  ALA  HN     55  ASP  HN        3.5   (#   409:10 Unique)
 &rst
  ixpk= 409, nxpk= 10, iat= 821, 831, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    55  ASP  HA     55  ASP  HN        3.5   (#   410:10 Unique)
 &rst
  ixpk= 410, nxpk= 10, iat= 833, 831, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    52  TYR  HB+    55  ASP  HN        3.5   (#   411:10 Unique)
 &rst
  ixpk= 411, nxpk= 10, iat=  -1, 831, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 787, 788,
 &end
#
#    55  ASP  HB2    55  ASP  HN        3.5   (#   412:10 Unique)
 &rst
  ixpk= 412, nxpk= 10, iat= 835, 831, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    55  ASP  HB3    55  ASP  HN        3.5   (#   413:10 Unique)
 &rst
  ixpk= 413, nxpk= 10, iat= 836, 831, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    52  TYR  HB-    55  ASP  HN        3.5   (#   414:10 Unique)
 &rst
  ixpk= 414, nxpk= 10, iat=  -1, 831, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 787, 788,
 &end
#
#     0  AMB  10-2:415   0  AMB  10-1:415     3.5   (#   415:10 Double)
 &rst
  ixpk= 415, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 762, 763, 764, 130, 131, 132, 856, 857, 858,
 igr2= 831,  98,
 &end
#
#    40  SER  HA     40  SER  HN        3.5   (#   417:10 Unique)
 &rst
  ixpk= 417, nxpk= 10, iat= 579, 577, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    39  GLU  HB-    40  SER  HN        3.5   (#   418:10 Unique)
 &rst
  ixpk= 418, nxpk= 10, iat=  -1, 577, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 566, 567,
 &end
#
#    39  GLU  HA     40  SER  HN        2.8   (#   419:10 Unique)
 &rst
  ixpk= 419, nxpk= 10, iat= 564, 577, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     0  AMB  10-2:420  40  SER  HN        4.5   (#   420:10 Single)
 &rst
  ixpk= 420, nxpk= 10, iat=  -1, 577, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 569, 570, 569, 570,
 &end
#
#    39  GLU  HB+    40  SER  HN        3.5   (#   421:10 Unique)
 &rst
  ixpk= 421, nxpk= 10, iat=  -1, 577, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 566, 567,
 &end
#
#     8  LEU  HA      8  LEU  HN        3.5   (#   422:10 Unique)
 &rst
  ixpk= 422, nxpk= 10, iat= 100,  98, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     8  LEU  HB+     8  LEU  HN        2.8   (#   423:10 Unique)
 &rst
  ixpk= 423, nxpk= 10, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 102, 103,
 &end
#
#     8  LEU  HG      8  LEU  HN        2.8   (#   424:10 Unique)
 &rst
  ixpk= 424, nxpk= 10, iat= 105,  98, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     8  LEU  HN      7  ALA  MB         3.5   (#   425:10 Unique)
 &rst
  ixpk= 425, nxpk= 10, iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  92,  93,  94,
 &end
#
#     0  AMB  10-2:426   8  LEU  HN        4.5   (#   426:10 Single)
 &rst
  ixpk= 426, nxpk= 10, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 107, 108, 109, 111, 112, 113, 130, 131, 132,
 &end
#
#     7  ALA  HN      8  LEU  HN        3.5   (#   427:10 Unique)
 &rst
  ixpk= 427, nxpk= 10, iat=  88,  98, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     8  LEU  MDX     8  LEU  HN        4.5   (#   428:10 Unique)
 &rst
  ixpk= 428, nxpk= 10, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 107, 108, 109, 111, 112, 113,
 &end
#
#     0  AMB  10-2:429  67  GLN  HN        4.5   (#   429:10 Single)
 &rst
  ixpk= 429, nxpk= 10, iat=  -1,1019, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1004,1005,1007,1008,
 &end
#
#    67  GLN  HN     66  LYS  HA         3.5   (#   430:10 Single)
 &rst
  ixpk= 430, nxpk= 10, iat=1019, 999, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    68  GLY  HN     67  GLN  HN        2.8   (#   431:10 Unique)
 &rst
  ixpk= 431, nxpk= 10, iat=1036,1019, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    66  LYS  HN     67  GLN  HN        2.8   (#   432:10 Unique)
 &rst
  ixpk= 432, nxpk= 10, iat= 997,1019, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    67  GLN  HA     67  GLN  HN        2.8   (#   433:10 Unique)
 &rst
  ixpk= 433, nxpk= 10, iat=1021,1019, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     0  AMB  10-2:434  67  GLN  HN        3.5   (#   434:10 Single)
 &rst
  ixpk= 434, nxpk= 10, iat=  -1,1019, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 965, 982,
 &end
#
#    67  GLN  HG+    67  GLN  HN        2.8   (#   435:10 Unique)
 &rst
  ixpk= 435, nxpk= 10, iat=  -1,1019, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1026,1027,
 &end
#
#    67  GLN  HB2    67  GLN  HN        2.8   (#   436:10 Unique)
 &rst
  ixpk= 436, nxpk= 10, iat=1023,1019, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     0  AMB  10-2:437  61  SER  HN        3.5   (#   437:10 Single)
 &rst
  ixpk= 437, nxpk= 10, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 923, 924, 925, 927, 928, 929, 371, 372, 373,
 &end
#
#    60  VAL  HN     61  SER  HN        2.8   (#   438:10 Unique)
 &rst
  ixpk= 438, nxpk= 10, iat= 917, 933, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    62  GLY  HN     61  SER  HN        2.8   (#   439:10 Unique)
 &rst
  ixpk= 439, nxpk= 10, iat= 944, 933, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     0  AMB  10-2:440  61  SER  HN        2.8   (#   440:10 Single)
 &rst
  ixpk= 440, nxpk= 10, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 935, 885,
 &end
#
#     0  AMB  10-2:441  61  SER  HN        3.5   (#   441:10 Single)
 &rst
  ixpk= 441, nxpk= 10, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 919, 864,
 &end
#
#    61  SER  HB+    61  SER  HN        3.5   (#   442:10 Unique)
 &rst
  ixpk= 442, nxpk= 10, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 937, 938,
 &end
#
#    61  SER  HB-    61  SER  HN        2.8   (#   443:10 Unique)
 &rst
  ixpk= 443, nxpk= 10, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 937, 938,
 &end
#
#    60  VAL  HB     61  SER  HN        2.8   (#   444:10 Unique)
 &rst
  ixpk= 444, nxpk= 10, iat= 921, 933, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    60  VAL  MGY    61  SER  HN        3.5   (#   445:10 Unique)
 &rst
  ixpk= 445, nxpk= 10, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 923, 924, 925, 927, 928, 929,
 &end
#
#     0  AMB  10-2:446  93  TYR  HN        2.8   (#   446:10 Single)
 &rst
  ixpk= 446, nxpk= 10, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1390,1391,1138,1139,
 &end
#
#   107  GLU  HN    106  THR  HN        3.5   (#   447:10 Unique)
 &rst
  ixpk= 447, nxpk= 10, iat=1594,1580, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   105  SER  HN    106  THR  HN        3.5   (#   448:10 Unique)
 &rst
  ixpk= 448, nxpk= 10, iat=1569,1580, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  10-2:449 106  THR  HN        2.8   (#   449:10 Single)
 &rst
  ixpk= 449, nxpk= 10, iat=  -1,1580, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1573,1584,1525,
 &end
#
#     0  AMB  10-2:450 106  THR  HN        3.5   (#   450:10 Single)
 &rst
  ixpk= 450, nxpk= 10, iat=  -1,1580, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1582,1574,
 &end
#
#   106  THR  MG2   106  THR  HN        3.5   (#   451:10 Unique)
 &rst
  ixpk= 451, nxpk= 10, iat=  -1,1580, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1586,1587,1588,
 &end
#
#   106  THR  HN    105  SER  HN        3.5   (#   452:10 Unique)
 &rst
  ixpk= 452, nxpk= 10, iat=1580,1569, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   104  ILE  HN    105  SER  HN        2.8   (#   453:10 Unique)
 &rst
  ixpk= 453, nxpk= 10, iat=1550,1569, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     0  AMB  10-2:454 105  SER  HN        2.8   (#   454:10 Single)
 &rst
  ixpk= 454, nxpk= 10, iat=  -1,1569, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1573,1525,
 &end
#
#   105  SER  HA    105  SER  HN        2.8   (#   455:10 Unique)
 &rst
  ixpk= 455, nxpk= 10, iat=1571,1569, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   105  SER  HB3   105  SER  HN        3.5   (#   456:10 Unique)
 &rst
  ixpk= 456, nxpk= 10, iat=1574,1569, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   104  ILE  HB    105  SER  HN        2.8   (#   457:10 Unique)
 &rst
  ixpk= 457, nxpk= 10, iat=1554,1569, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     0  AMB  10-2:458 105  SER  HN        2.8   (#   458:10 Single)
 &rst
  ixpk= 458, nxpk= 10, iat=  -1,1569, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 355, 356, 357, 359, 360, 361,1556,1557,1558,
 &end
#
#   120  TRP  HD1   120  TRP  HN        3.5   (#   459:10 Unique)
 &rst
  ixpk= 459, nxpk= 10, iat=1825,1817, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   120  TRP  HA    120  TRP  HN        3.5   (#   460:10 Unique)
 &rst
  ixpk= 460, nxpk= 10, iat=1819,1817, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   119  THR  HA    120  TRP  HN        2.8   (#   461:10 Unique)
 &rst
  ixpk= 461, nxpk= 10, iat=1805,1817, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   119  THR  HB    120  TRP  HN        2.8   (#   462:10 Unique)
 &rst
  ixpk= 462, nxpk= 10, iat=1807,1817, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   120  TRP  HB+   120  TRP  HN        3.5   (#   463:10 Unique)
 &rst
  ixpk= 463, nxpk= 10, iat=  -1,1817, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1821,1822,
 &end
#
#     0  AMB  10-2:464 120  TRP  HN        3.5   (#   464:10 Single)
 &rst
  ixpk= 464, nxpk= 10, iat=  -1,1817, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1809,1810,1811,1586,1587,1588,
 &end
#
#    25  ILE  HN     43  ILE  HN        3.5   (#   465:10 Unique)
 &rst
  ixpk= 465, nxpk= 10, iat= 365, 625, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    42  GLU  HA     43  ILE  HN        2.8   (#   466:10 Unique)
 &rst
  ixpk= 466, nxpk= 10, iat= 612, 625, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     0  AMB  10-2:467  43  ILE  HN        3.5   (#   467:10 Single)
 &rst
  ixpk= 467, nxpk= 10, iat=  -1, 625, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 614, 615, 617, 618,
 &end
#
#     0  AMB  10-2:468  43  ILE  HN        3.5   (#   468:10 Single)
 &rst
  ixpk= 468, nxpk= 10, iat=  -1, 625, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 614, 615, 369,
 &end
#
#    43  ILE  HG1-   43  ILE  HN        3.5   (#   469:10 Unique)
 &rst
  ixpk= 469, nxpk= 10, iat=  -1, 625, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 635, 636,
 &end
#
#    43  ILE  HG1+   43  ILE  HN        3.5   (#   470:10 Unique)
 &rst
  ixpk= 470, nxpk= 10, iat=  -1, 625, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 635, 636,
 &end
#
#     0  AMB  10-2:471  43  ILE  HN        2.8   (#   471:10 Single)
 &rst
  ixpk= 471, nxpk= 10, iat=  -1, 625, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 355, 356, 357, 359, 360, 361, 631, 632, 633,
 &end
#
#    22  TYR  HA     23  VAL  HN        2.8   (#   472:10 Unique)
 &rst
  ixpk= 472, nxpk= 10, iat= 311, 330, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     0  AMB  10-2:473  23  VAL  HN        3.5   (#   473:10 Single)
 &rst
  ixpk= 473, nxpk= 10, iat=  -1, 330, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 332, 686, 687,
 &end
#
#     0  AMB  10-2:474  23  VAL  HN        2.8   (#   474:10 Single)
 &rst
  ixpk= 474, nxpk= 10, iat=  -1, 330, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 336, 337, 338, 340, 341, 342, 336, 337, 338, 340,
       341, 342,
 &end
#
#    82  GLN  HG+    82  GLN  HE2+      3.5   (#   476:10 Unique)
 &rst
  ixpk= 476, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1221,1222,
 igr2=1226,1227,
 &end
#
#   122  ASN  HB+   122  ASN  HD2+      3.5   (#   480:10 Unique)
 &rst
  ixpk= 480, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1855,1856,
 igr2=1860,1861,
 &end
#
#   122  ASN  HB-   122  ASN  HD2+      3.5   (#   481:10 Unique)
 &rst
  ixpk= 481, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1855,1856,
 igr2=1860,1861,
 &end
#
#   122  ASN  HB-   122  ASN  HD2-      3.5   (#   483:10 Unique)
 &rst
  ixpk= 483, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1855,1856,
 igr2=1860,1861,
 &end
#
#    61  SER  HN     62  GLY  HN        2.8   (#   494:10 Unique)
 &rst
  ixpk= 494, nxpk= 10, iat= 933, 944, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    63  ASP  HN     62  GLY  HN        2.8   (#   495:10 Unique)
 &rst
  ixpk= 495, nxpk= 10, iat= 951, 944, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     0  AMB  10-2:496  62  GLY  HN        3.5   (#   496:10 Single)
 &rst
  ixpk= 496, nxpk= 10, iat=  -1, 944, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 897, 935, 885,
 &end
#
#    62  GLY  HA+    62  GLY  HN        2.8   (#   497:10 Unique)
 &rst
  ixpk= 497, nxpk= 10, iat=  -1, 944, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 946, 947,
 &end
#
#    62  GLY  HA-    62  GLY  HN        2.8   (#   498:10 Unique)
 &rst
  ixpk= 498, nxpk= 10, iat=  -1, 944, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 946, 947,
 &end
#
#    67  GLN  HG+    67  GLN  HE2+      3.5   (#   500:10 Unique)
 &rst
  ixpk= 500, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1026,1027,
 igr2=1031,1032,
 &end
#
#    67  GLN  HG+    67  GLN  HE2-      3.5   (#   503:10 Unique)
 &rst
  ixpk= 503, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1026,1027,
 igr2=1031,1032,
 &end
#
#    30  ALA  HA     30  ALA  HN        4.5   (#   504:10 Unique)
 &rst
  ixpk= 504, nxpk= 10, iat= 454, 452, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     0  AMB  10-2:505  30  ALA  HN        5.5   (#   505:10 Single)
 &rst
  ixpk= 505, nxpk= 10, iat=  -1, 452, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 445, 446,1038,1039,
 &end
#
#    29  SER  HB+    30  ALA  HN        5.5   (#   506:10 Unique)
 &rst
  ixpk= 506, nxpk= 10, iat=  -1, 452, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 445, 446,
 &end
#
#     0  AMB  10-2:507  30  ALA  HN        4.5   (#   507:10 Single)
 &rst
  ixpk= 507, nxpk= 10, iat=  -1, 452, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 445, 446,1038,1039,
 &end
#
#    29  SER  HB+    30  ALA  HN        5.5   (#   508:10 Unique)
 &rst
  ixpk= 508, nxpk= 10, iat=  -1, 452, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 445, 446,
 &end
#
#     0  AMB  10-2:509  30  ALA  HN        5.5   (#   509:10 Single)
 &rst
  ixpk= 509, nxpk= 10, iat=  -1, 452, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 441,  69,
 &end
#
#     0  AMB  10-2:510  30  ALA  HN        5.5   (#   510:10 Single)
 &rst
  ixpk= 510, nxpk= 10, iat=  -1, 452, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 441,  69,
 &end
#
#     5  ASP  HN      6  LEU  HN         5.5   (#   512:10 Unique)
 &rst
  ixpk= 512, nxpk= 10, iat=  57,  69, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     5  ASP  HN      4  ALA  HN         5.5   (#   513:10 Single)
 &rst
  ixpk= 513, nxpk= 10, iat=  57,  47, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    20  PHE  HA     20  PHE  HN        3.5   (#   514:10 Unique)
 &rst
  ixpk= 514, nxpk= 10, iat= 269, 267, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    78  ARG  HA     20  PHE  HN        5.5   (#   515:10 Unique)
 &rst
  ixpk= 515, nxpk= 10, iat=1145, 267, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  10-2:516  20  PHE  HN        4.5   (#   516:10 Single)
 &rst
  ixpk= 516, nxpk= 10, iat=  -1, 267, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 287,1167,
 &end
#
#   105  SER  HN    103  ALA  HN        5.5   (#   517:10 Unique)
 &rst
  ixpk= 517, nxpk= 10, iat=1569,1540, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   102  HIS  HN    103  ALA  HN        3.5   (#   518:10 Unique)
 &rst
  ixpk= 518, nxpk= 10, iat=1523,1540, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    19  VAL  MGY    20  PHE  HN        5.5   (#   519:10 Unique)
 &rst
  ixpk= 519, nxpk= 10, iat=  -1, 267, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 257, 258, 259, 261, 262, 263,
 &end
#
#    60  VAL  MGX    64  MET  HN        4.5   (#   520:10 Unique)
 &rst
  ixpk= 520, nxpk= 10, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 923, 924, 925, 927, 928, 929,
 &end
#
#    64  MET  ME     64  MET  HN        4.5   (#   521:10 Unique)
 &rst
  ixpk= 521, nxpk= 10, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 974, 975, 976,
 &end
#
#    61  SER  HA     64  MET  HN        4.5   (#   522:10 Unique)
 &rst
  ixpk= 522, nxpk= 10, iat= 935, 963, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     0  AMB  10-2:523  64  MET  HN        5.5   (#   523:10 Single)
 &rst
  ixpk= 523, nxpk= 10, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 919, 946, 947,
 &end
#
#     0  AMB  10-2:524  22  TYR  HN        5.5   (#   524:10 Single)
 &rst
  ixpk= 524, nxpk= 10, iat=  -1, 309, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 287,1167,
 &end
#
#    23  VAL  HN     22  TYR  HN        7.0   (#   525:10 Unique)
 &rst
  ixpk= 525, nxpk= 10, iat= 330, 309, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#     0  AMB  10-2:526  22  TYR  HN        7.0   (#   526:10 Single)
 &rst
  ixpk= 526, nxpk= 10, iat=  -1, 309, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 691,1536,
 &end
#
#    22  TYR  HA     22  TYR  HN        5.5   (#   527:10 Unique)
 &rst
  ixpk= 527, nxpk= 10, iat= 311, 309, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    78  ARG  HA     22  TYR  HN        4.5   (#   528:10 Unique)
 &rst
  ixpk= 528, nxpk= 10, iat=1145, 309, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     0  AMB  10-2:529  22  TYR  HN        5.5   (#   529:10 Single)
 &rst
  ixpk= 529, nxpk= 10, iat=  -1, 309, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 313, 314, 808, 809,
 &end
#
#    22  TYR  HB-    22  TYR  HN        5.5   (#   530:10 Unique)
 &rst
  ixpk= 530, nxpk= 10, iat=  -1, 309, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 313, 314,
 &end
#
#     0  AMB  10-2:531  22  TYR  HN        3.5   (#   531:10 Single)
 &rst
  ixpk= 531, nxpk= 10, iat=  -1, 309, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 291,1150,1151, 297, 298,
 &end
#
#    78  ARG  HB+    22  TYR  HN        5.5   (#   532:10 Unique)
 &rst
  ixpk= 532, nxpk= 10, iat=  -1, 309, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1147,1148,
 &end
#
#    78  ARG  HG-    22  TYR  HN        5.5   (#   534:10 Unique)
 &rst
  ixpk= 534, nxpk= 10, iat=  -1, 309, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1150,1151,
 &end
#
#    79  ILE  HG1+   79  ILE  HN        7.0   (#   536:10 Unique)
 &rst
  ixpk= 536, nxpk= 10, iat=  -1,1167, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1177,1178,
 &end
#
#    20  PHE  HB+    21  LYS  HN        5.5   (#   537:10 Unique)
 &rst
  ixpk= 537, nxpk= 10, iat=  -1, 287, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 271, 272,
 &end
#
#     0  AMB  10-2:538   0  AMB  10-1:538     3.5   (#   538:10 Double)
 &rst
  ixpk= 538, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 289,1169, 714,
 igr2= 287,1167,
 &end
#
#    78  ARG  HA     79  ILE  HN        4.5   (#   540:10 Unique)
 &rst
  ixpk= 540, nxpk= 10, iat=1145,1167, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    20  PHE  HN      0  AMB  10-1:541     4.5   (#   541:10 Single)
 &rst
  ixpk= 541, nxpk= 10, iat= 267,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 287,1167,
 &end
#
#    79  ILE  HB     79  ILE  HN        4.5   (#   542:10 Unique)
 &rst
  ixpk= 542, nxpk= 10, iat=1171,1167, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    22  TYR  HB+    23  VAL  HN        3.5   (#   543:10 Unique)
 &rst
  ixpk= 543, nxpk= 10, iat=  -1, 330, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 313, 314,
 &end
#
#    22  TYR  HB-    23  VAL  HN        4.5   (#   544:10 Unique)
 &rst
  ixpk= 544, nxpk= 10, iat=  -1, 330, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 313, 314,
 &end
#
#    23  VAL  HB     23  VAL  HN        5.5   (#   545:10 Unique)
 &rst
  ixpk= 545, nxpk= 10, iat= 334, 330, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    46  GLY  HA-    23  VAL  HN        5.5   (#   546:10 Unique)
 &rst
  ixpk= 546, nxpk= 10, iat=  -1, 330, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 686, 687,
 &end
#
#     0  AMB  10-2:547  23  VAL  HN        5.5   (#   547:10 Single)
 &rst
  ixpk= 547, nxpk= 10, iat=  -1, 330, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 691,1536,
 &end
#
#    47  TYR  HD     23  VAL  HN        7.0   (#   548:10 Unique)
 &rst
  ixpk= 548, nxpk= 10, iat=  -1, 330, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 699, 708,
 &end
#
#    45  ARG  HN     23  VAL  HN        4.5   (#   549:10 Unique)
 &rst
  ixpk= 549, nxpk= 10, iat= 660, 330, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    22  TYR  HN     23  VAL  HN        5.5   (#   550:10 Unique)
 &rst
  ixpk= 550, nxpk= 10, iat= 309, 330, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    25  ILE  HN     24  LEU  HN        7.0   (#   551:10 Unique)
 &rst
  ixpk= 551, nxpk= 10, iat= 365, 346, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    25  ILE  HN     24  LEU  HN        5.5   (#   552:10 Unique)
 &rst
  ixpk= 552, nxpk= 10, iat= 365, 346, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  10-2:553  24  LEU  HN        4.5   (#   553:10 Single)
 &rst
  ixpk= 553, nxpk= 10, iat=  -1, 346, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1122, 319, 324,
 &end
#
#     0  AMB  10-2:554  24  LEU  HN        5.5   (#   554:10 Single)
 &rst
  ixpk= 554, nxpk= 10, iat=  -1, 346, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1464,1469,1536,
 &end
#
#    24  LEU  HA     24  LEU  HN        4.5   (#   555:10 Unique)
 &rst
  ixpk= 555, nxpk= 10, iat= 348, 346, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    76  GLY  HA+    24  LEU  HN        3.5   (#   556:10 Unique)
 &rst
  ixpk= 556, nxpk= 10, iat=  -1, 346, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1131,1132,
 &end
#
#    76  GLY  HA-    24  LEU  HN        4.5   (#   557:10 Unique)
 &rst
  ixpk= 557, nxpk= 10, iat=  -1, 346, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1131,1132,
 &end
#
#    24  LEU  HG     24  LEU  HN        4.5   (#   558:10 Unique)
 &rst
  ixpk= 558, nxpk= 10, iat= 353, 346, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    74  LEU  HB3    24  LEU  HN        7.0   (#   559:10 Unique)
 &rst
  ixpk= 559, nxpk= 10, iat=1108, 346, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   100  ALA  MB     24  LEU  HN        3.5   (#   560:10 Unique)
 &rst
  ixpk= 560, nxpk= 10, iat=  -1, 346, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1500,1501,1502,
 &end
#
#     0  AMB  10-2:561  25  ILE  HN        3.5   (#   561:10 Single)
 &rst
  ixpk= 561, nxpk= 10, iat=  -1, 365, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 367, 646,
 &end
#
#    43  ILE  HN     25  ILE  HN        4.5   (#   562:10 Unique)
 &rst
  ixpk= 562, nxpk= 10, iat= 625, 365, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     0  AMB  10-2:563  25  ILE  HN        5.5   (#   563:10 Single)
 &rst
  ixpk= 563, nxpk= 10, iat=  -1, 365, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 627, 662,
 &end
#
#    25  ILE  HN     42  GLU  HB+        5.5   (#   564:10 Single)
 &rst
  ixpk= 564, nxpk= 10, iat= 365,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 614, 615,
 &end
#
#    43  ILE  HG1+   25  ILE  HN        4.5   (#   565:10 Unique)
 &rst
  ixpk= 565, nxpk= 10, iat=  -1, 365, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 635, 636,
 &end
#
#    43  ILE  QD1    25  ILE  HN        4.5   (#   566:10 Unique)
 &rst
  ixpk= 566, nxpk= 10, iat=  -1, 365, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 638, 639, 640,
 &end
#
#    27  VAL  HA     27  VAL  HN        3.5   (#   567:10 Unique)
 &rst
  ixpk= 567, nxpk= 10, iat= 410, 408, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    25  ILE  HN     26  ARG  HN        4.5   (#   568:10 Unique)
 &rst
  ixpk= 568, nxpk= 10, iat= 365, 384, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    26  ARG  HA     26  ARG  HN        5.5   (#   569:10 Unique)
 &rst
  ixpk= 569, nxpk= 10, iat= 386, 384, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    73  CYS  HA     26  ARG  HN        5.5   (#   570:10 Unique)
 &rst
  ixpk= 570, nxpk= 10, iat=1094, 384, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    74  LEU  HG     26  ARG  HN        3.5   (#   571:10 Unique)
 &rst
  ixpk= 571, nxpk= 10, iat=1110, 384, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  10-2:572  26  ARG  HN        4.5   (#   572:10 Single)
 &rst
  ixpk= 572, nxpk= 10, iat=  -1, 384, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 391, 392,1107, 353, 635, 636,
 &end
#
#    74  LEU  MDY    26  ARG  HN        4.5   (#   573:10 Unique)
 &rst
  ixpk= 573, nxpk= 10, iat=  -1, 384, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1112,1113,1114,1116,1117,1118,
 &end
#
#    43  ILE  HN     27  VAL  HN        5.5   (#   574:10 Unique)
 &rst
  ixpk= 574, nxpk= 10, iat= 625, 408, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    27  VAL  HN     28  HIS  HN         5.5   (#   575:10 Single)
 &rst
  ixpk= 575, nxpk= 10, iat= 408, 424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  10-2:576  27  VAL  HN        5.5   (#   576:10 Single)
 &rst
  ixpk= 576, nxpk= 10, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 394, 395, 429,
 &end
#
#     0  AMB  10-2:577  27  VAL  HN        4.5   (#   577:10 Single)
 &rst
  ixpk= 577, nxpk= 10, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 388, 617, 618,1081,1082, 592, 593,
 &end
#
#    26  ARG  HG+    27  VAL  HN        3.5   (#   578:10 Unique)
 &rst
  ixpk= 578, nxpk= 10, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 391, 392,
 &end
#
#    27  VAL  HN      6  LEU  MDX        4.5   (#   579:10 Single)
 &rst
  ixpk= 579, nxpk= 10, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#    28  HIS  HA     28  HIS  HN        3.5   (#   580:10 Unique)
 &rst
  ixpk= 580, nxpk= 10, iat= 426, 424, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    28  HIS  HD2    28  HIS  HN        4.5   (#   581:10 Unique)
 &rst
  ixpk= 581, nxpk= 10, iat= 437, 424, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    70  ASP  HN     28  HIS  HN        3.5   (#   582:10 Unique)
 &rst
  ixpk= 582, nxpk= 10, iat=1054, 424, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    29  SER  HN     28  HIS  HN        5.5   (#   583:10 Unique)
 &rst
  ixpk= 583, nxpk= 10, iat= 441, 424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    69  CYS  HB3    28  HIS  HN        5.5   (#   585:10 Unique)
 &rst
  ixpk= 585, nxpk= 10, iat=1048, 424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  10-2:586  28  HIS  HN        5.5   (#   586:10 Single)
 &rst
  ixpk= 586, nxpk= 10, iat=  -1, 424, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1058,1059,1047,
 &end
#
#    70  ASP  HB+    28  HIS  HN        5.5   (#   587:10 Unique)
 &rst
  ixpk= 587, nxpk= 10, iat=  -1, 424, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1058,1059,
 &end
#
#    27  VAL  HB     28  HIS  HN        4.5   (#   588:10 Unique)
 &rst
  ixpk= 588, nxpk= 10, iat= 412, 424, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     6  LEU  MDX    28  HIS  HN        5.5   (#   589:10 Unique)
 &rst
  ixpk= 589, nxpk= 10, iat=  -1, 424, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  78,  79,  80,  82,  83,  84,
 &end
#
#     0  AMB  10-2:590  29  SER  HN        5.5   (#   590:10 Single)
 &rst
  ixpk= 590, nxpk= 10, iat=  -1, 441, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 414, 415, 416, 418, 419, 420, 595, 596,
 &end
#
#    29  SER  HN     30  ALA  MB         5.5   (#   591:10 Single)
 &rst
  ixpk= 591, nxpk= 10, iat= 441,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 456, 457, 458,
 &end
#
#    28  HIS  HB2    29  SER  HN        4.5   (#   592:10 Unique)
 &rst
  ixpk= 592, nxpk= 10, iat= 428, 441, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    40  SER  HB2    29  SER  HN        5.5   (#   593:10 Unique)
 &rst
  ixpk= 593, nxpk= 10, iat= 581, 441, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    40  SER  HB3    29  SER  HN        5.5   (#   594:10 Unique)
 &rst
  ixpk= 594, nxpk= 10, iat= 582, 441, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    38  ALA  HA     29  SER  HN        5.5   (#   595:10 Unique)
 &rst
  ixpk= 595, nxpk= 10, iat= 554, 441, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  10-2:596  29  SER  HN        4.5   (#   596:10 Single)
 &rst
  ixpk= 596, nxpk= 10, iat=  -1, 441, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 452, 577, 552,
 &end
#
#   108  LYS  HA    109  ILE  HN        5.5   (#   598:10 Unique)
 &rst
  ixpk= 598, nxpk= 10, iat=1611,1631, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    91  TYR  HA    121  ALA  HN        4.5   (#   599:10 Unique)
 &rst
  ixpk= 599, nxpk= 10, iat=1369,1841, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   121  ALA  HA    121  ALA  HN        4.5   (#   600:10 Unique)
 &rst
  ixpk= 600, nxpk= 10, iat=1843,1841, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   120  TRP  HZ3   121  ALA  HN        5.5   (#   601:10 Unique)
 &rst
  ixpk= 601, nxpk= 10, iat=1834,1841, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    89  HIS  HA    119  THR  HN        3.5   (#   602:10 Unique)
 &rst
  ixpk= 602, nxpk= 10, iat=1336,1803, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   119  THR  HA    119  THR  HN        5.5   (#   603:10 Unique)
 &rst
  ixpk= 603, nxpk= 10, iat=1805,1803, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  10-2:604 119  THR  HN        3.5   (#   604:10 Single)
 &rst
  ixpk= 604, nxpk= 10, iat=  -1,1803, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1809,1810,1811,1586,1587,1588,
 &end
#
#   119  THR  HN    118  VAL  HB         5.5   (#   605:10 Double)
 &rst
  ixpk= 605, nxpk= 10, iat=1803,1791, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  10-2:607  35  ALA  HN        5.5   (#   607:10 Single)
 &rst
  ixpk= 607, nxpk= 10, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 538, 472,
 &end
#
#    32  ARG  HA     35  ALA  HN        7.0   (#   608:10 Unique)
 &rst
  ixpk= 608, nxpk= 10, iat= 478, 518, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    37  ALA  HN     36  PRO  HD-        4.5   (#   611:10 Single)
 &rst
  ixpk= 611, nxpk= 10, iat= 542,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 529, 530,
 &end
#
#    37  ALA  HN     36  PRO  HG+        4.5   (#   612:10 Single)
 &rst
  ixpk= 612, nxpk= 10, iat= 542,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 532, 533,
 &end
#
#    29  SER  HB-    39  GLU  HN        5.5   (#   619:10 Unique)
 &rst
  ixpk= 619, nxpk= 10, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 445, 446,
 &end
#
#    29  SER  HB+    39  GLU  HN        5.5   (#   620:10 Unique)
 &rst
  ixpk= 620, nxpk= 10, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 445, 446,
 &end
#
#    28  HIS  HA     39  GLU  HN        7.0   (#   621:10 Unique)
 &rst
  ixpk= 621, nxpk= 10, iat= 426, 562, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    40  SER  HA     39  GLU  HN        5.5   (#   622:10 Unique)
 &rst
  ixpk= 622, nxpk= 10, iat= 579, 562, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    29  SER  HN     39  GLU  HN        4.5   (#   623:10 Unique)
 &rst
  ixpk= 623, nxpk= 10, iat= 441, 562, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     6  LEU  MDX    39  GLU  HN        5.5   (#   624:10 Unique)
 &rst
  ixpk= 624, nxpk= 10, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  78,  79,  80,  82,  83,  84,
 &end
#
#    40  SER  HB2    40  SER  HN        4.5   (#   629:10 Unique)
 &rst
  ixpk= 629, nxpk= 10, iat= 581, 577, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    40  SER  HB3    40  SER  HN        4.5   (#   630:10 Unique)
 &rst
  ixpk= 630, nxpk= 10, iat= 582, 577, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    28  HIS  HA     40  SER  HN        5.5   (#   631:10 Unique)
 &rst
  ixpk= 631, nxpk= 10, iat= 426, 577, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     6  LEU  MDX    40  SER  HN        4.5   (#   633:10 Unique)
 &rst
  ixpk= 633, nxpk= 10, iat=  -1, 577, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  78,  79,  80,  82,  83,  84,
 &end
#
#    41  LYS  HN     40  SER  HN        4.5   (#   634:10 Unique)
 &rst
  ixpk= 634, nxpk= 10, iat= 588, 577, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    29  SER  HN     40  SER  HN        7.0   (#   635:10 Unique)
 &rst
  ixpk= 635, nxpk= 10, iat= 441, 577, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    27  VAL  HA     41  LYS  HN        5.5   (#   636:10 Unique)
 &rst
  ixpk= 636, nxpk= 10, iat= 410, 588, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    42  GLU  HN     41  LYS  HN        5.5   (#   638:10 Unique)
 &rst
  ixpk= 638, nxpk= 10, iat= 610, 588, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    41  LYS  HN     40  SER  HN         5.5   (#   639:10 Unique)
 &rst
  ixpk= 639, nxpk= 10, iat= 588, 577, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  10-2:640  41  LYS  HN        5.5   (#   640:10 Single)
 &rst
  ixpk= 640, nxpk= 10, iat=  -1, 588, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 394, 395, 394, 395, 429,
 &end
#
#    41  LYS  HN     41  LYS  HD-        5.5   (#   641:10 Single)
 &rst
  ixpk= 641, nxpk= 10, iat= 588,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 598, 599,
 &end
#
#    26  ARG  HG+    41  LYS  HN        5.5   (#   642:10 Unique)
 &rst
  ixpk= 642, nxpk= 10, iat=  -1, 588, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 391, 392,
 &end
#
#    41  LYS  HG+    41  LYS  HN        4.5   (#   643:10 Unique)
 &rst
  ixpk= 643, nxpk= 10, iat=  -1, 588, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 595, 596,
 &end
#
#    42  GLU  HA     42  GLU  HN        3.5   (#   644:10 Unique)
 &rst
  ixpk= 644, nxpk= 10, iat= 612, 610, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   108  LYS  HE+    42  GLU  HN        5.5   (#   645:10 Unique)
 &rst
  ixpk= 645, nxpk= 10, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1622,1623,
 &end
#
#    42  GLU  HG+    42  GLU  HN        4.5   (#   646:10 Unique)
 &rst
  ixpk= 646, nxpk= 10, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 617, 618,
 &end
#
#    41  LYS  HG+    42  GLU  HN        4.5   (#   647:10 Unique)
 &rst
  ixpk= 647, nxpk= 10, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 595, 596,
 &end
#
#    42  GLU  HN    104  ILE  QG2        5.5   (#   648:10 Single)
 &rst
  ixpk= 648, nxpk= 10, iat= 610,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1556,1557,1558,
 &end
#
#    41  LYS  HN     42  GLU  HN        5.5   (#   649:10 Unique)
 &rst
  ixpk= 649, nxpk= 10, iat= 588, 610, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    43  ILE  HN     42  GLU  HN        5.5   (#   650:10 Unique)
 &rst
  ixpk= 650, nxpk= 10, iat= 625, 610, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  10-2:652   7  ALA  HN        5.5   (#   652:10 Single)
 &rst
  ixpk= 652, nxpk= 10, iat=  -1,  88, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 598, 599, 127, 128,
 &end
#
#     0  AMB  10-2:653   7  ALA  HN        4.5   (#   653:10 Single)
 &rst
  ixpk= 653, nxpk= 10, iat=  -1,  88, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  76, 102, 103,
 &end
#
#     8  LEU  MDX     7  ALA  HN        5.5   (#   654:10 Unique)
 &rst
  ixpk= 654, nxpk= 10, iat=  -1,  88, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 107, 108, 109, 111, 112, 113,
 &end
#
#     0  AMB  10-2:655   7  ALA  HN        5.5   (#   655:10 Single)
 &rst
  ixpk= 655, nxpk= 10, iat=  -1,  88, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 107, 108, 109, 111, 112, 113, 123, 124, 125,
 &end
#
#     6  LEU  MDY     7  ALA  HN        5.5   (#   656:10 Unique)
 &rst
  ixpk= 656, nxpk= 10, iat=  -1,  88, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  78,  79,  80,  82,  83,  84,
 &end
#
#    43  ILE  QD1    43  ILE  HN        4.5   (#   657:10 Unique)
 &rst
  ixpk= 657, nxpk= 10, iat=  -1, 625, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 638, 639, 640,
 &end
#
#    42  GLU  HG+    43  ILE  HN        5.5   (#   658:10 Unique)
 &rst
  ixpk= 658, nxpk= 10, iat=  -1, 625, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 617, 618,
 &end
#
#    26  ARG  HA     43  ILE  HN        3.5   (#   659:10 Unique)
 &rst
  ixpk= 659, nxpk= 10, iat= 386, 625, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    24  LEU  HA     43  ILE  HN        5.5   (#   660:10 Unique)
 &rst
  ixpk= 660, nxpk= 10, iat= 348, 625, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    42  GLU  HN     43  ILE  HN        5.5   (#   661:10 Unique)
 &rst
  ixpk= 661, nxpk= 10, iat= 610, 625, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  10-2:662  44  VAL  HN        4.5   (#   662:10 Single)
 &rst
  ixpk= 662, nxpk= 10, iat=  -1, 644, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 638, 639, 640,1641,1642,
 &end
#
#    43  ILE  HG1+   44  VAL  HN        5.5   (#   663:10 Unique)
 &rst
  ixpk= 663, nxpk= 10, iat=  -1, 644, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 635, 636,
 &end
#
#     0  AMB  10-2:664  44  VAL  HN        5.5   (#   664:10 Single)
 &rst
  ixpk= 664, nxpk= 10, iat=  -1, 644, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 635, 636, 353,
 &end
#
#     0  AMB  10-2:665  44  VAL  HN        5.5   (#   665:10 Single)
 &rst
  ixpk= 665, nxpk= 10, iat=  -1, 644, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1619,1620, 667, 668,1614,
 &end
#
#   109  ILE  HG1+   44  VAL  HN        7.0   (#   666:10 Unique)
 &rst
  ixpk= 666, nxpk= 10, iat=  -1, 644, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1641,1642,
 &end
#
#    44  VAL  HA     44  VAL  HN        4.5   (#   667:10 Unique)
 &rst
  ixpk= 667, nxpk= 10, iat= 646, 644, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    45  ARG  HE     44  VAL  HN        4.5   (#   668:10 Unique)
 &rst
  ixpk= 668, nxpk= 10, iat= 673, 644, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    13  ASP  HN     44  VAL  HN        5.5   (#   669:10 Unique)
 &rst
  ixpk= 669, nxpk= 10, iat= 178, 644, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    45  ARG  HG-    45  ARG  HN        5.5   (#   670:10 Unique)
 &rst
  ixpk= 670, nxpk= 10, iat=  -1, 660, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 667, 668,
 &end
#
#     0  AMB  10-2:671  45  ARG  HN        4.5   (#   671:10 Single)
 &rst
  ixpk= 671, nxpk= 10, iat=  -1, 660, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 665, 350, 351,
 &end
#
#    45  ARG  HB2    45  ARG  HN        3.5   (#   672:10 Unique)
 &rst
  ixpk= 672, nxpk= 10, iat= 664, 660, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    44  VAL  HB     45  ARG  HN        5.5   (#   673:10 Unique)
 &rst
  ixpk= 673, nxpk= 10, iat= 648, 660, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    24  LEU  HA     45  ARG  HN        5.5   (#   674:10 Unique)
 &rst
  ixpk= 674, nxpk= 10, iat= 348, 660, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    45  ARG  HA     45  ARG  HN        4.5   (#   675:10 Unique)
 &rst
  ixpk= 675, nxpk= 10, iat= 662, 660, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    47  TYR  HN     45  ARG  HN        7.0   (#   676:10 Unique)
 &rst
  ixpk= 676, nxpk= 10, iat= 691, 660, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    23  VAL  HN     45  ARG  HN        3.5   (#   677:10 Unique)
 &rst
  ixpk= 677, nxpk= 10, iat= 330, 660, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    67  GLN  HB2    67  GLN  HE2+      5.5   (#   678:10 Unique)
 &rst
  ixpk= 678, nxpk= 10, iat=1023,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1031,1032,
 &end
#
#    64  MET  ME     67  GLN  HE2+      4.5   (#   679:10 Unique)
 &rst
  ixpk= 679, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 974, 975, 976,
 igr2=1031,1032,
 &end
#
#     0  AMB  10-2:680   0  AMB  10-1:680     4.5   (#   680:10 Double)
 &rst
  ixpk= 680, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
 igr1= 336, 337, 338, 340, 341, 342, 130, 131, 132,
 igr2= 684,1031,1032,
 &end
#
#     0  AMB  10-2:681  46  GLY  HN        5.5   (#   681:10 Single)
 &rst
  ixpk= 681, nxpk= 10, iat=  -1, 684, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 849, 850, 851, 336, 337, 338, 340, 341, 342,
 &end
#
#     0  AMB  10-2:682   0  AMB  10-1:682     5.5   (#   682:10 Double)
 &rst
  ixpk= 682, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 665, 127, 128,
 igr2= 684,1031,1032,
 &end
#
#    64  MET  HA     67  GLN  HE2+      4.5   (#   683:10 Unique)
 &rst
  ixpk= 683, nxpk= 10, iat= 965,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1031,1032,
 &end
#
#     0  AMB  10-2:684   0  AMB  10-1:684     7.0   (#   684:10 Double)
 &rst
  ixpk= 684, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.97, r4=12.47,
 igr1= 664,1007,1008,1004,1005,
 igr2= 684,1031,1032,1031,1032,
 &end
#
#    49  TRP  HZ2    47  TYR  HN        5.5   (#   685:10 Unique)
 &rst
  ixpk= 685, nxpk= 10, iat= 747, 691, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  10-2:686  47  TYR  HN        4.5   (#   686:10 Single)
 &rst
  ixpk= 686, nxpk= 10, iat=  -1, 691, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 693, 311,
 &end
#
#    49  TRP  HH2    47  TYR  HN        5.5   (#   687:10 Unique)
 &rst
  ixpk= 687, nxpk= 10, iat= 749, 691, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  10-2:688  47  TYR  HN        5.5   (#   688:10 Single)
 &rst
  ixpk= 688, nxpk= 10, iat=  -1, 691, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 271, 272, 313, 314,
 &end
#
#    20  PHE  HB-    47  TYR  HN        7.0   (#   690:10 Unique)
 &rst
  ixpk= 690, nxpk= 10, iat=  -1, 691, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 271, 272,
 &end
#
#    48  LYS  HA     48  LYS  HN        5.5   (#   692:10 Unique)
 &rst
  ixpk= 692, nxpk= 10, iat= 714, 712, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    51  GLU  HN     50  ALA  HN        4.5   (#   694:10 Unique)
 &rst
  ixpk= 694, nxpk= 10, iat= 768, 758, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    49  TRP  HD1    50  ALA  HN        5.5   (#   695:10 Unique)
 &rst
  ixpk= 695, nxpk= 10, iat= 742, 758, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    49  TRP  HE3    50  ALA  HN        4.5   (#   696:10 Unique)
 &rst
  ixpk= 696, nxpk= 10, iat= 753, 758, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    47  TYR  HD     50  ALA  HN        5.5   (#   698:10 Unique)
 &rst
  ixpk= 698, nxpk= 10, iat=  -1, 758, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 699, 708,
 &end
#
#    49  TRP  HB-    50  ALA  HN        4.5   (#   700:10 Unique)
 &rst
  ixpk= 700, nxpk= 10, iat=  -1, 758, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 738, 739,
 &end
#
#    49  TRP  HB+    50  ALA  HN        7.0   (#   701:10 Unique)
 &rst
  ixpk= 701, nxpk= 10, iat=  -1, 758, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 738, 739,
 &end
#
#     0  AMB  10-2:702  51  GLU  HN        4.5   (#   702:10 Single)
 &rst
  ixpk= 702, nxpk= 10, iat=  -1, 768, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 753, 831,
 &end
#
#    55  ASP  HB2    51  GLU  HN        5.5   (#   703:10 Unique)
 &rst
  ixpk= 703, nxpk= 10, iat= 835, 768, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    55  ASP  HB3    51  GLU  HN        5.5   (#   704:10 Unique)
 &rst
  ixpk= 704, nxpk= 10, iat= 836, 768, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    51  GLU  HB-    51  GLU  HN        3.5   (#   705:10 Unique)
 &rst
  ixpk= 705, nxpk= 10, iat=  -1, 768, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 772, 773,
 &end
#
#    52  TYR  HA     52  TYR  HN        3.5   (#   706:10 Unique)
 &rst
  ixpk= 706, nxpk= 10, iat= 785, 783, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    50  ALA  HA     52  TYR  HN        4.5   (#   707:10 Unique)
 &rst
  ixpk= 707, nxpk= 10, iat= 760, 783, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    51  GLU  HA     52  TYR  HN        3.5   (#   708:10 Unique)
 &rst
  ixpk= 708, nxpk= 10, iat= 770, 783, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    52  TYR  HB+    52  TYR  HN        3.5   (#   709:10 Unique)
 &rst
  ixpk= 709, nxpk= 10, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 787, 788,
 &end
#
#    55  ASP  HB2    52  TYR  HN        5.5   (#   710:10 Unique)
 &rst
  ixpk= 710, nxpk= 10, iat= 835, 783, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    55  ASP  HB3    52  TYR  HN        4.5   (#   711:10 Unique)
 &rst
  ixpk= 711, nxpk= 10, iat= 836, 783, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    50  ALA  MB     52  TYR  HN        3.5   (#   712:10 Unique)
 &rst
  ixpk= 712, nxpk= 10, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 762, 763, 764,
 &end
#
#     0  AMB  10-2:714  58  ASP  HN        5.5   (#   714:10 Single)
 &rst
  ixpk= 714, nxpk= 10, iat=  -1, 883, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 899, 900, 899, 900,
 &end
#
#    56  ILE  HB     58  ASP  HN        7.0   (#   715:10 Unique)
 &rst
  ixpk= 715, nxpk= 10, iat= 847, 883, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    55  ASP  HA     58  ASP  HN        4.5   (#   717:10 Unique)
 &rst
  ixpk= 717, nxpk= 10, iat= 833, 883, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    54  ALA  HA     58  ASP  HN        4.5   (#   718:10 Unique)
 &rst
  ixpk= 718, nxpk= 10, iat= 823, 883, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    56  ILE  HN     58  ASP  HN        5.5   (#   719:10 Unique)
 &rst
  ixpk= 719, nxpk= 10, iat= 843, 883, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    55  ASP  HN     58  ASP  HN        7.0   (#   720:10 Unique)
 &rst
  ixpk= 720, nxpk= 10, iat= 831, 883, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    60  VAL  HN     58  ASP  HN        5.5   (#   721:10 Unique)
 &rst
  ixpk= 721, nxpk= 10, iat= 917, 883, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  10-2:722  58  ASP  HN        4.5   (#   722:10 Single)
 &rst
  ixpk= 722, nxpk= 10, iat=  -1, 883, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 336, 337, 338, 340, 341, 342, 336, 337, 338, 340,
       341, 342, 762, 763, 764,
 &end
#
#    52  TYR  HB-    54  ALA  HN        5.5   (#   723:10 Unique)
 &rst
  ixpk= 723, nxpk= 10, iat=  -1, 821, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 787, 788,
 &end
#
#    53  HIS  HB-    54  ALA  HN        5.5   (#   724:10 Unique)
 &rst
  ixpk= 724, nxpk= 10, iat=  -1, 821, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 808, 809,
 &end
#
#    53  HIS  HB+    54  ALA  HN        5.5   (#   725:10 Unique)
 &rst
  ixpk= 725, nxpk= 10, iat=  -1, 821, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 808, 809,
 &end
#
#    52  TYR  HB+    54  ALA  HN        4.5   (#   726:10 Unique)
 &rst
  ixpk= 726, nxpk= 10, iat=  -1, 821, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 787, 788,
 &end
#
#    54  ALA  HA     54  ALA  HN        4.5   (#   727:10 Unique)
 &rst
  ixpk= 727, nxpk= 10, iat= 823, 821, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    97  TYR  HE     54  ALA  HN        5.5   (#   729:10 Unique)
 &rst
  ixpk= 729, nxpk= 10, iat=  -1, 821, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1464,1469,
 &end
#
#    55  ASP  HN     54  ALA  HN        4.5   (#   730:10 Unique)
 &rst
  ixpk= 730, nxpk= 10, iat= 831, 821, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     0  AMB  10-2:731  54  ALA  HN        5.5   (#   731:10 Single)
 &rst
  ixpk= 731, nxpk= 10, iat=  -1, 821, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 856, 857, 858, 336, 337, 338, 340, 341, 342, 336,
       337, 338, 340, 341, 342, 762, 763, 764, 292,
 &end
#
#     0  AMB  10-2:732  55  ASP  HN        4.5   (#   732:10 Single)
 &rst
  ixpk= 732, nxpk= 10, iat=  -1, 831, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 823, 785,
 &end
#
#     0  AMB  10-2:733  55  ASP  HN        5.5   (#   733:10 Single)
 &rst
  ixpk= 733, nxpk= 10, iat=  -1, 831, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 775, 776, 847, 772, 773,
 &end
#
#     0  AMB  10-2:734   0  AMB  10-1:734     3.5   (#   734:10 Double)
 &rst
  ixpk= 734, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 825, 826, 827, 127, 128,
 igr2= 831,  98,
 &end
#
#    57  TYR  HN     55  ASP  HN        5.5   (#   735:10 Unique)
 &rst
  ixpk= 735, nxpk= 10, iat= 862, 831, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  10-2:736   0  AMB  10-1:736     5.5   (#   736:10 Double)
 &rst
  ixpk= 736, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  88, 783,
 igr2=  98, 831,
 &end
#
#    55  ASP  HN     57  TYR  HN        5.5   (#   737:10 Unique)
 &rst
  ixpk= 737, nxpk= 10, iat= 831, 862, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    97  TYR  HE     57  TYR  HN        5.5   (#   738:10 Unique)
 &rst
  ixpk= 738, nxpk= 10, iat=  -1, 862, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1464,1469,
 &end
#
#    54  ALA  HA     57  TYR  HN        3.5   (#   739:10 Unique)
 &rst
  ixpk= 739, nxpk= 10, iat= 823, 862, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  10-2:740 113  TYR  HN        5.5   (#   740:10 Single)
 &rst
  ixpk= 740, nxpk= 10, iat=  -1,1704, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1684,1674,
 &end
#
#     0  AMB  10-2:741  56  ILE  HN        5.5   (#   741:10 Single)
 &rst
  ixpk= 741, nxpk= 10, iat=  -1, 843, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 883, 821,
 &end
#
#    55  ASP  HA     56  ILE  HN        4.5   (#   742:10 Unique)
 &rst
  ixpk= 742, nxpk= 10, iat= 833, 843, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    57  TYR  HB3    56  ILE  HN        5.5   (#   743:10 Unique)
 &rst
  ixpk= 743, nxpk= 10, iat= 867, 843, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    55  ASP  HB3    56  ILE  HN        5.5   (#   744:10 Unique)
 &rst
  ixpk= 744, nxpk= 10, iat= 836, 843, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  10-2:745  56  ILE  HN        7.0   (#   745:10 Single)
 &rst
  ixpk= 745, nxpk= 10, iat=  -1, 843, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 866, 300, 301,
 &end
#
#    52  TYR  HB-    56  ILE  HN        5.5   (#   746:10 Unique)
 &rst
  ixpk= 746, nxpk= 10, iat=  -1, 843, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 787, 788,
 &end
#
#    59  LYS  HB+    56  ILE  HN        7.0   (#   747:10 Unique)
 &rst
  ixpk= 747, nxpk= 10, iat=  -1, 843, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 899, 900,
 &end
#
#     0  AMB  10-2:749 108  LYS  HN        4.5   (#   749:10 Single)
 &rst
  ixpk= 749, nxpk= 10, iat=  -1,1609, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=1619,1620,1676,1677,1678,
 &end
#
#     0  AMB  10-2:750 108  LYS  HN        4.5   (#   750:10 Single)
 &rst
  ixpk= 750, nxpk= 10, iat=  -1,1609, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 650, 651, 652, 654, 655, 656,1556,1557,1558, 168,
       169, 170, 172, 173, 174,
 &end
#
#    44  VAL  MGY   108  LYS  HN        5.5   (#   751:10 Unique)
 &rst
  ixpk= 751, nxpk= 10, iat=  -1,1609, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 650, 651, 652, 654, 655, 656,
 &end
#
#   118  VAL  HB    108  LYS  HN        7.0   (#   752:10 Unique)
 &rst
  ixpk= 752, nxpk= 10, iat=1791,1609, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   105  SER  HA    108  LYS  HN        5.5   (#   753:10 Unique)
 &rst
  ixpk= 753, nxpk= 10, iat=1571,1609, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   107  GLU  HA    108  LYS  HN        3.5   (#   754:10 Unique)
 &rst
  ixpk= 754, nxpk= 10, iat=1596,1609, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   110  LYS  HN    108  LYS  HN        5.5   (#   755:10 Unique)
 &rst
  ixpk= 755, nxpk= 10, iat=1650,1609, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  10-2:756  56  ILE  HN        5.5   (#   756:10 Single)
 &rst
  ixpk= 756, nxpk= 10, iat=  -1, 843, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 749, 895,
 &end
#
#     0  AMB  10-2:757  56  ILE  HN        5.5   (#   757:10 Single)
 &rst
  ixpk= 757, nxpk= 10, iat=  -1, 843, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 823, 785,
 &end
#
#    61  SER  HN     59  LYS  HN        5.5   (#   758:10 Unique)
 &rst
  ixpk= 758, nxpk= 10, iat= 933, 895, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  10-2:759  59  LYS  HN        3.5   (#   759:10 Single)
 &rst
  ixpk= 759, nxpk= 10, iat=  -1, 895, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 845, 864,
 &end
#
#     0  AMB  10-2:760  59  LYS  HN        5.5   (#   760:10 Single)
 &rst
  ixpk= 760, nxpk= 10, iat=  -1, 895, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 905, 906, 905, 906,
 &end
#
#     0  AMB  10-2:761  59  LYS  HN        5.5   (#   761:10 Single)
 &rst
  ixpk= 761, nxpk= 10, iat=  -1, 895, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 923, 924, 925, 927, 928, 929, 849, 850, 851,
 &end
#
#    60  VAL  MGY    59  LYS  HN        5.5   (#   762:10 Unique)
 &rst
  ixpk= 762, nxpk= 10, iat=  -1, 895, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 923, 924, 925, 927, 928, 929,
 &end
#
#    60  VAL  HB     59  LYS  HN        5.5   (#   763:10 Unique)
 &rst
  ixpk= 763, nxpk= 10, iat= 921, 895, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    58  ASP  HN     60  VAL  HN        7.0   (#   764:10 Unique)
 &rst
  ixpk= 764, nxpk= 10, iat= 883, 917, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    62  GLY  HN     60  VAL  HN        5.5   (#   765:10 Unique)
 &rst
  ixpk= 765, nxpk= 10, iat= 944, 917, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    59  LYS  HG+    60  VAL  HN        4.5   (#   766:10 Unique)
 &rst
  ixpk= 766, nxpk= 10, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 902, 903,
 &end
#
#     0  AMB  10-2:767  60  VAL  HN        5.5   (#   767:10 Single)
 &rst
  ixpk= 767, nxpk= 10, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 905, 906, 905, 906, 667, 668, 853, 854,
 &end
#
#     0  AMB  10-2:768  61  SER  HN        5.5   (#   768:10 Single)
 &rst
  ixpk= 768, nxpk= 10, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 951, 862,
 &end
#
#     0  AMB  10-2:769  61  SER  HN        4.5   (#   769:10 Single)
 &rst
  ixpk= 769, nxpk= 10, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 895, 870, 879,
 &end
#
#    62  GLY  HA+    61  SER  HN        5.5   (#   770:10 Unique)
 &rst
  ixpk= 770, nxpk= 10, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 946, 947,
 &end
#
#    64  MET  HB2    61  SER  HN        5.5   (#   771:10 Unique)
 &rst
  ixpk= 771, nxpk= 10, iat= 967, 933, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  10-2:772  61  SER  HN        7.0   (#   772:10 Single)
 &rst
  ixpk= 772, nxpk= 10, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
 igr1=1071, 970, 971, 887, 888,
 &end
#
#    63  ASP  HB3    61  SER  HN        7.0   (#   773:10 Unique)
 &rst
  ixpk= 773, nxpk= 10, iat= 956, 933, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    64  MET  HN     62  GLY  HN        5.5   (#   774:10 Unique)
 &rst
  ixpk= 774, nxpk= 10, iat= 963, 944, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    65  GLN  HN     62  GLY  HN        5.5   (#   775:10 Unique)
 &rst
  ixpk= 775, nxpk= 10, iat= 980, 944, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    61  SER  HB+    62  GLY  HN        4.5   (#   776:10 Unique)
 &rst
  ixpk= 776, nxpk= 10, iat=  -1, 944, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 937, 938,
 &end
#
#    61  SER  HB-    62  GLY  HN        4.5   (#   777:10 Unique)
 &rst
  ixpk= 777, nxpk= 10, iat=  -1, 944, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 937, 938,
 &end
#
#     0  AMB  10-2:778  62  GLY  HN        5.5   (#   778:10 Single)
 &rst
  ixpk= 778, nxpk= 10, iat=  -1, 944, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 956, 887, 888,1070,
 &end
#
#     0  AMB  10-2:779  62  GLY  HN        5.5   (#   779:10 Single)
 &rst
  ixpk= 779, nxpk= 10, iat=  -1, 944, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1= 955, 987, 988, 887, 888, 970, 971,
 &end
#
#     0  AMB  10-2:780  62  GLY  HN        5.5   (#   780:10 Single)
 &rst
  ixpk= 780, nxpk= 10, iat=  -1, 944, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 984, 899, 900, 899, 900,
 &end
#
#    64  MET  HB2    63  ASP  HN        5.5   (#   781:10 Unique)
 &rst
  ixpk= 781, nxpk= 10, iat= 967, 951, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    66  LYS  HN     63  ASP  HN        5.5   (#   783:10 Unique)
 &rst
  ixpk= 783, nxpk= 10, iat= 997, 951, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    65  GLN  HN     63  ASP  HN        4.5   (#   784:10 Unique)
 &rst
  ixpk= 784, nxpk= 10, iat= 980, 951, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    61  SER  HN     63  ASP  HN        4.5   (#   785:10 Unique)
 &rst
  ixpk= 785, nxpk= 10, iat= 933, 951, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    63  ASP  HN     65  GLN  HN        5.5   (#   786:10 Unique)
 &rst
  ixpk= 786, nxpk= 10, iat= 951, 980, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  10-2:787  65  GLN  HN        5.5   (#   787:10 Single)
 &rst
  ixpk= 787, nxpk= 10, iat=  -1, 980, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1043,1036,
 &end
#
#    62  GLY  HN     65  GLN  HN        5.5   (#   788:10 Unique)
 &rst
  ixpk= 788, nxpk= 10, iat= 944, 980, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    67  GLN  HN     65  GLN  HN        5.5   (#   789:10 Unique)
 &rst
  ixpk= 789, nxpk= 10, iat=1019, 980, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    62  GLY  HA+    65  GLN  HN        5.5   (#   790:10 Unique)
 &rst
  ixpk= 790, nxpk= 10, iat=  -1, 980, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 946, 947,
 &end
#
#    62  GLY  HA-    65  GLN  HN        4.5   (#   791:10 Unique)
 &rst
  ixpk= 791, nxpk= 10, iat=  -1, 980, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 946, 947,
 &end
#
#     0  AMB  10-2:792  65  GLN  HN        3.5   (#   792:10 Single)
 &rst
  ixpk= 792, nxpk= 10, iat=  -1, 980, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 968,1004,1005,
 &end
#
#     0  AMB  10-2:793  65  GLN  HN        5.5   (#   793:10 Single)
 &rst
  ixpk= 793, nxpk= 10, iat=  -1, 980, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 956,1070,
 &end
#
#    65  GLN  HG+    66  LYS  HN        5.5   (#   794:10 Unique)
 &rst
  ixpk= 794, nxpk= 10, iat=  -1, 997, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 987, 988,
 &end
#
#    63  ASP  HA     66  LYS  HN        5.5   (#   795:10 Unique)
 &rst
  ixpk= 795, nxpk= 10, iat= 953, 997, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    67  GLN  HA     66  LYS  HN        7.0   (#   796:10 Unique)
 &rst
  ixpk= 796, nxpk= 10, iat=1021, 997, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    68  GLY  HN     66  LYS  HN        5.5   (#   798:10 Unique)
 &rst
  ixpk= 798, nxpk= 10, iat=1036, 997, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    64  MET  HN     66  LYS  HN        5.5   (#   799:10 Unique)
 &rst
  ixpk= 799, nxpk= 10, iat= 963, 997, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    68  GLY  HA-    67  GLN  HN        4.5   (#   801:10 Unique)
 &rst
  ixpk= 801, nxpk= 10, iat=  -1,1019, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1038,1039,
 &end
#
#     0  AMB  10-2:802  67  GLN  HN        4.5   (#   802:10 Single)
 &rst
  ixpk= 802, nxpk= 10, iat=  -1,1019, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1004,1005, 968,
 &end
#
#    67  GLN  HN     65  GLN  HB2        5.5   (#   803:10 Unique)
 &rst
  ixpk= 803, nxpk= 10, iat=1019, 984, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    65  GLN  HG-    67  GLN  HN        5.5   (#   804:10 Unique)
 &rst
  ixpk= 804, nxpk= 10, iat=  -1,1019, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 987, 988,
 &end
#
#     9  ILE  QD1    67  GLN  HN        5.5   (#   807:10 Unique)
 &rst
  ixpk= 807, nxpk= 10, iat=  -1,1019, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 130, 131, 132,
 &end
#
#    65  GLN  HN     67  GLN  HN        5.5   (#   809:10 Unique)
 &rst
  ixpk= 809, nxpk= 10, iat= 980,1019, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    64  MET  HN     67  GLN  HN        7.0   (#   810:10 Unique)
 &rst
  ixpk= 810, nxpk= 10, iat= 963,1019, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    66  LYS  HN     68  GLY  HN        4.5   (#   811:10 Unique)
 &rst
  ixpk= 811, nxpk= 10, iat= 997,1036, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    67  GLN  HB2    68  GLY  HN        3.5   (#   813:10 Unique)
 &rst
  ixpk= 813, nxpk= 10, iat=1023,1036, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  10-2:814  69  CYS  HN        4.5   (#   814:10 Single)
 &rst
  ixpk= 814, nxpk= 10, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1054, 452,
 &end
#
#    65  GLN  HN     69  CYS  HN        5.5   (#   815:10 Unique)
 &rst
  ixpk= 815, nxpk= 10, iat= 980,1043, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    66  LYS  HN     69  CYS  HN        5.5   (#   816:10 Unique)
 &rst
  ixpk= 816, nxpk= 10, iat= 997,1043, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    29  SER  HA     69  CYS  HN        5.5   (#   817:10 Unique)
 &rst
  ixpk= 817, nxpk= 10, iat= 443,1043, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    67  GLN  HA     69  CYS  HN        5.5   (#   818:10 Unique)
 &rst
  ixpk= 818, nxpk= 10, iat=1021,1043, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    67  GLN  HB2    69  CYS  HN        4.5   (#   820:10 Unique)
 &rst
  ixpk= 820, nxpk= 10, iat=1023,1043, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     0  AMB  10-2:821  69  CYS  HN        5.5   (#   821:10 Single)
 &rst
  ixpk= 821, nxpk= 10, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 984, 469, 470,
 &end
#
#    65  GLN  HG+    69  CYS  HN        5.5   (#   822:10 Unique)
 &rst
  ixpk= 822, nxpk= 10, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 987, 988,
 &end
#
#    27  VAL  MGY    69  CYS  HN        5.5   (#   823:10 Unique)
 &rst
  ixpk= 823, nxpk= 10, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 414, 415, 416, 418, 419, 420,
 &end
#
#    28  HIS  HB2    70  ASP  HN        4.5   (#   824:10 Unique)
 &rst
  ixpk= 824, nxpk= 10, iat= 428,1054, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    28  HIS  HB3    70  ASP  HN        5.5   (#   825:10 Unique)
 &rst
  ixpk= 825, nxpk= 10, iat= 429,1054, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    70  ASP  HN     64  MET  HB3        5.5   (#   826:10 Unique)
 &rst
  ixpk= 826, nxpk= 10, iat=1054, 968, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    27  VAL  MGY    70  ASP  HN        4.5   (#   827:10 Unique)
 &rst
  ixpk= 827, nxpk= 10, iat=  -1,1054, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 414, 415, 416, 418, 419, 420,
 &end
#
#    70  ASP  HA     70  ASP  HN        3.5   (#   828:10 Unique)
 &rst
  ixpk= 828, nxpk= 10, iat=1056,1054, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    29  SER  HA     70  ASP  HN        5.5   (#   829:10 Unique)
 &rst
  ixpk= 829, nxpk= 10, iat= 443,1054, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    69  CYS  HN     70  ASP  HN        5.5   (#   830:10 Unique)
 &rst
  ixpk= 830, nxpk= 10, iat=1043,1054, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    28  HIS  HN     70  ASP  HN        3.5   (#   831:10 Unique)
 &rst
  ixpk= 831, nxpk= 10, iat= 424,1054, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    70  ASP  HN     71  CYS  HN         5.5   (#   833:10 Unique)
 &rst
  ixpk= 833, nxpk= 10, iat=1054,1066, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    64  MET  HB2    71  CYS  HN        5.5   (#   834:10 Unique)
 &rst
  ixpk= 834, nxpk= 10, iat= 967,1066, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  10-2:835  71  CYS  HN        5.5   (#   835:10 Single)
 &rst
  ixpk= 835, nxpk= 10, iat=  -1,1066, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 414, 415, 416, 418, 419, 420, 371, 372, 373,
 &end
#
#     0  AMB  10-2:837  71  CYS  HN        4.5   (#   837:10 Single)
 &rst
  ixpk= 837, nxpk= 10, iat=  -1,1066, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1077, 424,
 &end
#
#    70  ASP  HN     71  CYS  HN        4.5   (#   838:10 Unique)
 &rst
  ixpk= 838, nxpk= 10, iat=1054,1066, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    71  CYS  HN     72  GLU  HN        4.5   (#   839:10 Unique)
 &rst
  ixpk= 839, nxpk= 10, iat=1066,1077, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    72  GLU  HN     28  HIS  HD2        5.5   (#   840:10 Unique)
 &rst
  ixpk= 840, nxpk= 10, iat=1077, 437, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  10-2:841  72  GLU  HN        3.5   (#   841:10 Single)
 &rst
  ixpk= 841, nxpk= 10, iat=  -1,1077, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1079, 367,
 &end
#
#     0  AMB  10-2:842  73  CYS  HN        4.5   (#   842:10 Single)
 &rst
  ixpk= 842, nxpk= 10, iat=  -1,1092, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1084,1085,1084,1085,
 &end
#
#    73  CYS  HB-    73  CYS  HN        3.5   (#   843:10 Unique)
 &rst
  ixpk= 843, nxpk= 10, iat=  -1,1092, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1096,1097,
 &end
#
#    73  CYS  HA     73  CYS  HN        5.5   (#   844:10 Unique)
 &rst
  ixpk= 844, nxpk= 10, iat=1094,1092, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  10-2:845  74  LEU  HN        4.5   (#   845:10 Single)
 &rst
  ixpk= 845, nxpk= 10, iat=  -1,1103, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 384,1092,
 &end
#
#    73  CYS  HB+    74  LEU  HN        5.5   (#   846:10 Unique)
 &rst
  ixpk= 846, nxpk= 10, iat=  -1,1103, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1096,1097,
 &end
#
#    73  CYS  HB-    74  LEU  HN        4.5   (#   847:10 Unique)
 &rst
  ixpk= 847, nxpk= 10, iat=  -1,1103, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1096,1097,
 &end
#
#     0  AMB  10-2:848  74  LEU  HN        4.5   (#   848:10 Single)
 &rst
  ixpk= 848, nxpk= 10, iat=  -1,1103, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
 igr1= 336, 337, 338, 340, 341, 342, 375, 376, 371, 372,
       373,
 &end
#
#     0  AMB  10-2:849  75  GLY  HN        5.5   (#   849:10 Single)
 &rst
  ixpk= 849, nxpk= 10, iat=  -1,1122, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1092, 384,
 &end
#
#    76  GLY  HN     75  GLY  HN        4.5   (#   850:10 Unique)
 &rst
  ixpk= 850, nxpk= 10, iat=1129,1122, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    24  LEU  HN     75  GLY  HN        5.5   (#   851:10 Unique)
 &rst
  ixpk= 851, nxpk= 10, iat= 346,1122, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    97  TYR  HD     75  GLY  HN        5.5   (#   852:10 Unique)
 &rst
  ixpk= 852, nxpk= 10, iat=  -1,1122, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1462,1471,
 &end
#
#   101  GLN  HN     75  GLY  HN        7.0   (#   853:10 Unique)
 &rst
  ixpk= 853, nxpk= 10, iat=1506,1122, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    97  TYR  HN     75  GLY  HN        7.0   (#   854:10 Unique)
 &rst
  ixpk= 854, nxpk= 10, iat=1454,1122, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#     0  AMB  10-2:855  75  GLY  HN        4.5   (#   855:10 Single)
 &rst
  ixpk= 855, nxpk= 10, iat=  -1,1122, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 367,1456,
 &end
#
#    97  TYR  HB+    75  GLY  HN        4.5   (#   856:10 Unique)
 &rst
  ixpk= 856, nxpk= 10, iat=  -1,1122, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1458,1459,
 &end
#
#    97  TYR  HB-    75  GLY  HN        4.5   (#   857:10 Unique)
 &rst
  ixpk= 857, nxpk= 10, iat=  -1,1122, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1458,1459,
 &end
#
#    73  CYS  HB+    75  GLY  HN        5.5   (#   858:10 Unique)
 &rst
  ixpk= 858, nxpk= 10, iat=  -1,1122, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1096,1097,
 &end
#
#    74  LEU  HB3    75  GLY  HN        4.5   (#   859:10 Unique)
 &rst
  ixpk= 859, nxpk= 10, iat=1108,1122, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    74  LEU  HG     75  GLY  HN        4.5   (#   860:10 Unique)
 &rst
  ixpk= 860, nxpk= 10, iat=1110,1122, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    74  LEU  HB2    75  GLY  HN        4.5   (#   861:10 Unique)
 &rst
  ixpk= 861, nxpk= 10, iat=1107,1122, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    73  CYS  HB-    75  GLY  HN        5.5   (#   862:10 Unique)
 &rst
  ixpk= 862, nxpk= 10, iat=  -1,1122, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1096,1097,
 &end
#
#     0  AMB  10-2:863  75  GLY  HN        5.5   (#   863:10 Single)
 &rst
  ixpk= 863, nxpk= 10, iat=  -1,1122, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 336, 337, 338, 340, 341, 342, 336, 337, 338, 340,
       341, 342, 355, 356, 357, 359, 360, 361,
 &end
#
#    94  SER  HB+    76  GLY  HN        3.5   (#   864:10 Unique)
 &rst
  ixpk= 864, nxpk= 10, iat=  -1,1129, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1420,1421,
 &end
#
#    23  VAL  HA     76  GLY  HN        5.5   (#   865:10 Unique)
 &rst
  ixpk= 865, nxpk= 10, iat= 332,1129, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    99  PRO  HA     76  GLY  HN        4.5   (#   866:10 Unique)
 &rst
  ixpk= 866, nxpk= 10, iat=1492,1129, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    94  SER  HN     76  GLY  HN        5.5   (#   868:10 Unique)
 &rst
  ixpk= 868, nxpk= 10, iat=1416,1129, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  10-2:869  76  GLY  HN        7.0   (#   869:10 Single)
 &rst
  ixpk= 869, nxpk= 10, iat=  -1,1129, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1399,1400,1489,1490,
 &end
#
#    97  TYR  HB-    76  GLY  HN        5.5   (#   870:10 Unique)
 &rst
  ixpk= 870, nxpk= 10, iat=  -1,1129, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1458,1459,
 &end
#
#    94  SER  HB-    76  GLY  HN        4.5   (#   871:10 Unique)
 &rst
  ixpk= 871, nxpk= 10, iat=  -1,1129, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1420,1421,
 &end
#
#    77  GLY  HA-    77  GLY  HN        3.5   (#   872:10 Unique)
 &rst
  ixpk= 872, nxpk= 10, iat=  -1,1136, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1138,1139,
 &end
#
#     0  AMB  10-2:873  77  GLY  HN        3.5   (#   873:10 Single)
 &rst
  ixpk= 873, nxpk= 10, iat=  -1,1136, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 332, 289,
 &end
#
#     0  AMB  10-2:875  77  GLY  HN        5.5   (#   875:10 Single)
 &rst
  ixpk= 875, nxpk= 10, iat=  -1,1136, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1500,1501,1502,1147,1148,
 &end
#
#   102  HIS  HD2    77  GLY  HN        5.5   (#   876:10 Unique)
 &rst
  ixpk= 876, nxpk= 10, iat=1536,1136, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    22  TYR  HN     77  GLY  HN        4.5   (#   877:10 Unique)
 &rst
  ixpk= 877, nxpk= 10, iat= 309,1136, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    76  GLY  HN     77  GLY  HN        5.5   (#   878:10 Unique)
 &rst
  ixpk= 878, nxpk= 10, iat=1129,1136, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    24  LEU  HN     77  GLY  HN        5.5   (#   879:10 Unique)
 &rst
  ixpk= 879, nxpk= 10, iat= 346,1136, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    78  ARG  HN     77  GLY  HN        5.5   (#   880:10 Unique)
 &rst
  ixpk= 880, nxpk= 10, iat=1143,1136, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    94  SER  HB+    77  GLY  HN        7.0   (#   881:10 Unique)
 &rst
  ixpk= 881, nxpk= 10, iat=  -1,1136, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1420,1421,
 &end
#
#    78  ARG  HA     78  ARG  HN        5.5   (#   883:10 Unique)
 &rst
  ixpk= 883, nxpk= 10, iat=1145,1143, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    90  VAL  HA     78  ARG  HN        5.5   (#   884:10 Unique)
 &rst
  ixpk= 884, nxpk= 10, iat=1353,1143, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   102  HIS  HD2    78  ARG  HN        4.5   (#   885:10 Unique)
 &rst
  ixpk= 885, nxpk= 10, iat=1536,1143, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     0  AMB  10-2:886  78  ARG  HN        5.5   (#   886:10 Single)
 &rst
  ixpk= 886, nxpk= 10, iat=  -1,1143, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 317, 326,1375,1384,
 &end
#
#     0  AMB  10-2:887  78  ARG  HN        4.5   (#   887:10 Single)
 &rst
  ixpk= 887, nxpk= 10, iat=  -1,1143, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 319, 324,1136,
 &end
#
#     0  AMB  10-2:888  78  ARG  HN        5.5   (#   888:10 Single)
 &rst
  ixpk= 888, nxpk= 10, iat=  -1,1143, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1395,1388,
 &end
#
#    91  TYR  HN     78  ARG  HN        3.5   (#   889:10 Unique)
 &rst
  ixpk= 889, nxpk= 10, iat=1367,1143, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  10-2:890  78  ARG  HN        3.5   (#   890:10 Single)
 &rst
  ixpk= 890, nxpk= 10, iat=  -1,1143, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1147,1148,1357,1358,1359,1361,1362,1363,
 &end
#
#    78  ARG  HB+    78  ARG  HN        4.5   (#   891:10 Unique)
 &rst
  ixpk= 891, nxpk= 10, iat=  -1,1143, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1147,1148,
 &end
#
#     0  AMB  10-2:892   0  AMB  10-1:892     5.5   (#   892:10 Double)
 &rst
  ixpk= 892, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 289,1169, 714,
 igr2= 287,1167,
 &end
#
#    79  ILE  HG1+   79  ILE  HN        5.5   (#   893:10 Unique)
 &rst
  ixpk= 893, nxpk= 10, iat=  -1,1167, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1177,1178,
 &end
#
#    80  SER  HB+    80  SER  HN        3.5   (#   894:10 Unique)
 &rst
  ixpk= 894, nxpk= 10, iat=  -1,1186, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1190,1191,
 &end
#
#    91  TYR  HE     80  SER  HN        5.5   (#   895:10 Unique)
 &rst
  ixpk= 895, nxpk= 10, iat=  -1,1186, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1377,1382,
 &end
#
#     0  AMB  10-2:896  80  SER  HN        5.5   (#   896:10 Single)
 &rst
  ixpk= 896, nxpk= 10, iat=  -1,1186, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1167,1367,
 &end
#
#    88  ILE  HA     80  SER  HN        7.0   (#   897:10 Unique)
 &rst
  ixpk= 897, nxpk= 10, iat=1317,1186, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#     0  AMB  10-2:898  80  SER  HN        5.5   (#   898:10 Single)
 &rst
  ixpk= 898, nxpk= 10, iat=  -1,1186, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1321,1322,1323,1171,
 &end
#
#    79  ILE  QG2    80  SER  HN        3.5   (#   899:10 Unique)
 &rst
  ixpk= 899, nxpk= 10, iat=  -1,1186, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1173,1174,1175,
 &end
#
#    29  SER  HB+     6  LEU  HN        5.5   (#   900:10 Unique)
 &rst
  ixpk= 900, nxpk= 10, iat=  -1,  69, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 445, 446,
 &end
#
#     0  AMB  10-2:901   6  LEU  HN        5.5   (#   901:10 Single)
 &rst
  ixpk= 901, nxpk= 10, iat=  -1,  69, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  61,  62, 601, 602,
 &end
#
#     5  ASP  HB-     6  LEU  HN        4.5   (#   902:10 Unique)
 &rst
  ixpk= 902, nxpk= 10, iat=  -1,  69, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  61,  62,
 &end
#
#     6  LEU  MDY     6  LEU  HN        3.5   (#   903:10 Unique)
 &rst
  ixpk= 903, nxpk= 10, iat=  -1,  69, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  78,  79,  80,  82,  83,  84,
 &end
#
#   119  THR  HN     90  VAL  HN        5.5   (#   904:10 Unique)
 &rst
  ixpk= 904, nxpk= 10, iat=1803,1351, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  10-2:905  90  VAL  HN        4.5   (#   905:10 Single)
 &rst
  ixpk= 905, nxpk= 10, iat=  -1,1351, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1841,1367,
 &end
#
#   120  TRP  HB+    90  VAL  HN        3.5   (#   906:10 Unique)
 &rst
  ixpk= 906, nxpk= 10, iat=  -1,1351, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1821,1822,
 &end
#
#    89  HIS  HB-    90  VAL  HN        5.5   (#   907:10 Unique)
 &rst
  ixpk= 907, nxpk= 10, iat=  -1,1351, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1338,1339,
 &end
#
#    89  HIS  HB+    90  VAL  HN        4.5   (#   908:10 Unique)
 &rst
  ixpk= 908, nxpk= 10, iat=  -1,1351, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1338,1339,
 &end
#
#   106  THR  MG2    90  VAL  HN        5.5   (#   909:10 Unique)
 &rst
  ixpk= 909, nxpk= 10, iat=  -1,1351, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1586,1587,1588,
 &end
#
#    90  VAL  MGX    90  VAL  HN        3.5   (#   910:10 Unique)
 &rst
  ixpk= 910, nxpk= 10, iat=  -1,1351, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1357,1358,1359,1361,1362,1363,
 &end
#
#     0  AMB  10-2:911  90  VAL  HN        5.5   (#   911:10 Single)
 &rst
  ixpk= 911, nxpk= 10, iat=  -1,1351, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1173,1174,1175,1177,1178,
 &end
#
#   118  VAL  MGY    90  VAL  HN        7.0   (#   912:10 Unique)
 &rst
  ixpk= 912, nxpk= 10, iat=  -1,1351, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1793,1794,1795,1797,1798,1799,
 &end
#
#    91  TYR  HA     91  TYR  HN        3.5   (#   913:10 Unique)
 &rst
  ixpk= 913, nxpk= 10, iat=1369,1367, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    79  ILE  HA     91  TYR  HN        4.5   (#   914:10 Unique)
 &rst
  ixpk= 914, nxpk= 10, iat=1169,1367, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    91  TYR  HB+    91  TYR  HN        5.5   (#   915:10 Unique)
 &rst
  ixpk= 915, nxpk= 10, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1371,1372,
 &end
#
#    91  TYR  HB-    91  TYR  HN        4.5   (#   916:10 Unique)
 &rst
  ixpk= 916, nxpk= 10, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1371,1372,
 &end
#
#     0  AMB  10-2:917  91  TYR  HN        5.5   (#   917:10 Single)
 &rst
  ixpk= 917, nxpk= 10, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1177,1178,1173,1174,1175,
 &end
#
#    79  ILE  QD1    91  TYR  HN        7.0   (#   918:10 Unique)
 &rst
  ixpk= 918, nxpk= 10, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1180,1181,1182,
 &end
#
#    79  ILE  HG1-   91  TYR  HN        7.0   (#   919:10 Unique)
 &rst
  ixpk= 919, nxpk= 10, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1177,1178,
 &end
#
#     0  AMB  10-2:920  91  TYR  HN        5.5   (#   920:10 Single)
 &rst
  ixpk= 920, nxpk= 10, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1138,1139,1390,1391,
 &end
#
#    91  TYR  HD     92  GLY  HN        3.5   (#   921:10 Unique)
 &rst
  ixpk= 921, nxpk= 10, iat=  -1,1388, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1375,1384,
 &end
#
#    91  TYR  HN     92  GLY  HN        5.5   (#   922:10 Unique)
 &rst
  ixpk= 922, nxpk= 10, iat=1367,1388, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    91  TYR  HA     92  GLY  HN        3.5   (#   923:10 Unique)
 &rst
  ixpk= 923, nxpk= 10, iat=1369,1388, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    92  GLY  HA+    92  GLY  HN        3.5   (#   924:10 Unique)
 &rst
  ixpk= 924, nxpk= 10, iat=  -1,1388, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1390,1391,
 &end
#
#    92  GLY  HA-    92  GLY  HN        3.5   (#   925:10 Unique)
 &rst
  ixpk= 925, nxpk= 10, iat=  -1,1388, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1390,1391,
 &end
#
#    91  TYR  HB+    92  GLY  HN        3.5   (#   926:10 Unique)
 &rst
  ixpk= 926, nxpk= 10, iat=  -1,1388, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1371,1372,
 &end
#
#    91  TYR  HB-    92  GLY  HN        3.5   (#   927:10 Unique)
 &rst
  ixpk= 927, nxpk= 10, iat=  -1,1388, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1371,1372,
 &end
#
#    92  GLY  HA+    93  TYR  HN        3.5   (#   928:10 Unique)
 &rst
  ixpk= 928, nxpk= 10, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1390,1391,
 &end
#
#    77  GLY  HA-    93  TYR  HN        3.5   (#   929:10 Unique)
 &rst
  ixpk= 929, nxpk= 10, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1138,1139,
 &end
#
#   125  TYR  HA     93  TYR  HN        5.5   (#   930:10 Unique)
 &rst
  ixpk= 930, nxpk= 10, iat=1886,1395, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    93  TYR  HA     93  TYR  HN        4.5   (#   932:10 Unique)
 &rst
  ixpk= 932, nxpk= 10, iat=1397,1395, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     0  AMB  10-2:933  93  TYR  HN        4.5   (#   933:10 Single)
 &rst
  ixpk= 933, nxpk= 10, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1892,1901,1894,1899,
 &end
#
#    93  TYR  HD     93  TYR  HN        3.5   (#   934:10 Unique)
 &rst
  ixpk= 934, nxpk= 10, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1403,1412,
 &end
#
#    78  ARG  HN     93  TYR  HN        7.0   (#   935:10 Unique)
 &rst
  ixpk= 935, nxpk= 10, iat=1143,1395, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    93  TYR  HB+    93  TYR  HN        5.5   (#   936:10 Unique)
 &rst
  ixpk= 936, nxpk= 10, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1399,1400,
 &end
#
#    93  TYR  HB-    93  TYR  HN        5.5   (#   937:10 Unique)
 &rst
  ixpk= 937, nxpk= 10, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1399,1400,
 &end
#
#    93  TYR  HD     94  SER  HN        5.5   (#   938:10 Unique)
 &rst
  ixpk= 938, nxpk= 10, iat=  -1,1416, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1403,1412,
 &end
#
#    93  TYR  HA     94  SER  HN        3.5   (#   939:10 Unique)
 &rst
  ixpk= 939, nxpk= 10, iat=1397,1416, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    99  PRO  HA     94  SER  HN        5.5   (#   940:10 Unique)
 &rst
  ixpk= 940, nxpk= 10, iat=1492,1416, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  10-2:941  94  SER  HN        3.5   (#   941:10 Single)
 &rst
  ixpk= 941, nxpk= 10, iat=  -1,1416, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1399,1400,1420,1421,
 &end
#
#    94  SER  HB-    94  SER  HN        5.5   (#   942:10 Unique)
 &rst
  ixpk= 942, nxpk= 10, iat=  -1,1416, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1420,1421,
 &end
#
#    93  TYR  HB-    94  SER  HN        4.5   (#   943:10 Unique)
 &rst
  ixpk= 943, nxpk= 10, iat=  -1,1416, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1399,1400,
 &end
#
#    64  MET  ME     67  GLN  HE2-      4.5   (#   944:10 Unique)
 &rst
  ixpk= 944, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 974, 975, 976,
 igr2=1031,1032,
 &end
#
#     0  AMB  10-2:945  67  GLN  HE2-      5.5   (#   945:10 Single)
 &rst
  ixpk= 945, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 123, 124, 125, 130, 131, 132,
 igr2=1031,1032,
 &end
#
#     9  ILE  HG1+   67  GLN  HE2-      5.5   (#   946:10 Unique)
 &rst
  ixpk= 946, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 127, 128,
 igr2=1031,1032,
 &end
#
#    67  GLN  HB2    67  GLN  HE2-      7.0   (#   947:10 Unique)
 &rst
  ixpk= 947, nxpk= 10, iat=1023,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1031,1032,
 &end
#
#    64  MET  HA     67  GLN  HE2-      5.5   (#   948:10 Unique)
 &rst
  ixpk= 948, nxpk= 10, iat= 965,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1031,1032,
 &end
#
#    97  TYR  HN     98  GLY  HN        3.5   (#   950:10 Unique)
 &rst
  ixpk= 950, nxpk= 10, iat=1454,1475, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    97  TYR  HA     98  GLY  HN        4.5   (#   951:10 Unique)
 &rst
  ixpk= 951, nxpk= 10, iat=1456,1475, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    98  GLY  HA+    98  GLY  HN        2.8   (#   952:10 Unique)
 &rst
  ixpk= 952, nxpk= 10, iat=  -1,1475, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1477,1478,
 &end
#
#    98  GLY  HA-    98  GLY  HN        3.5   (#   953:10 Unique)
 &rst
  ixpk= 953, nxpk= 10, iat=  -1,1475, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1477,1478,
 &end
#
#    99  PRO  HD+    98  GLY  HN        5.5   (#   954:10 Unique)
 &rst
  ixpk= 954, nxpk= 10, iat=  -1,1475, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1483,1484,
 &end
#
#    94  SER  HB+    98  GLY  HN        4.5   (#   955:10 Unique)
 &rst
  ixpk= 955, nxpk= 10, iat=  -1,1475, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1420,1421,
 &end
#
#    94  SER  HB-    98  GLY  HN        5.5   (#   956:10 Unique)
 &rst
  ixpk= 956, nxpk= 10, iat=  -1,1475, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1420,1421,
 &end
#
#    97  TYR  HB-    98  GLY  HN        4.5   (#   957:10 Unique)
 &rst
  ixpk= 957, nxpk= 10, iat=  -1,1475, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1458,1459,
 &end
#
#   101  GLN  HN    100  ALA  HN        5.5   (#   958:10 Unique)
 &rst
  ixpk= 958, nxpk= 10, iat=1506,1496, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    93  TYR  HA    100  ALA  HN        4.5   (#   959:10 Unique)
 &rst
  ixpk= 959, nxpk= 10, iat=1397,1496, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     0  AMB  10-2:961 100  ALA  HN        4.5   (#   961:10 Single)
 &rst
  ixpk= 961, nxpk= 10, iat=  -1,1496, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1124,1125,1508,1525,
 &end
#
#     0  AMB  10-2:962 100  ALA  HN        5.5   (#   962:10 Single)
 &rst
  ixpk= 962, nxpk= 10, iat=  -1,1496, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1124,1125,1131,1132,
 &end
#
#    93  TYR  HB+   100  ALA  HN        5.5   (#   963:10 Unique)
 &rst
  ixpk= 963, nxpk= 10, iat=  -1,1496, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1399,1400,
 &end
#
#    99  PRO  HB+   100  ALA  HN        4.5   (#   964:10 Unique)
 &rst
  ixpk= 964, nxpk= 10, iat=  -1,1496, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1489,1490,
 &end
#
#    99  PRO  HB-   100  ALA  HN        4.5   (#   965:10 Unique)
 &rst
  ixpk= 965, nxpk= 10, iat=  -1,1496, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1489,1490,
 &end
#
#    24  LEU  MDY   100  ALA  HN        5.5   (#   966:10 Unique)
 &rst
  ixpk= 966, nxpk= 10, iat=  -1,1496, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 355, 356, 357, 359, 360, 361,
 &end
#
#   100  ALA  HN    101  GLN  HN        5.5   (#   967:10 Unique)
 &rst
  ixpk= 967, nxpk= 10, iat=1496,1506, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   102  HIS  HN    101  GLN  HN        4.5   (#   968:10 Unique)
 &rst
  ixpk= 968, nxpk= 10, iat=1523,1506, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   101  GLN  HN    102  HIS  HN        4.5   (#   969:10 Unique)
 &rst
  ixpk= 969, nxpk= 10, iat=1506,1523, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     0  AMB  10-2:970 102  HIS  HN        4.5   (#   970:10 Single)
 &rst
  ixpk= 970, nxpk= 10, iat=  -1,1523, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1533,1836, 319, 324,
 &end
#
#     0  AMB  10-2:971 102  HIS  HN        5.5   (#   971:10 Single)
 &rst
  ixpk= 971, nxpk= 10, iat=  -1,1523, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1496,1550,
 &end
#
#     0  AMB  10-2:973 102  HIS  HN        5.5   (#   973:10 Single)
 &rst
  ixpk= 973, nxpk= 10, iat=  -1,1523, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1542,1855,1856,
 &end
#
#   101  GLN  HG-   102  HIS  HN        4.5   (#   974:10 Unique)
 &rst
  ixpk= 974, nxpk= 10, iat=  -1,1523, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1513,1514,
 &end
#
#   101  GLN  HB-   102  HIS  HN        4.5   (#   975:10 Unique)
 &rst
  ixpk= 975, nxpk= 10, iat=  -1,1523, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1510,1511,
 &end
#
#   100  ALA  MB    102  HIS  HN        4.5   (#   976:10 Unique)
 &rst
  ixpk= 976, nxpk= 10, iat=  -1,1523, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1500,1501,1502,
 &end
#
#     0  AMB  10-2:977 102  HIS  HN        5.5   (#   977:10 Single)
 &rst
  ixpk= 977, nxpk= 10, iat=  -1,1523, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 355, 356, 357, 359, 360, 361,1544,1545,1546,
 &end
#
#     0  AMB  10-2:979 103  ALA  HN        7.0   (#   979:10 Single)
 &rst
  ixpk= 979, nxpk= 10, iat=  -1,1540, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1832,1594,
 &end
#
#     0  AMB  10-2:980   0  AMB  10-1:980     5.5   (#   980:10 Double)
 &rst
  ixpk= 980, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1510,1511, 255,1554,
 igr2=1540, 267,
 &end
#
#     0  AMB  10-2:981   0  AMB  10-1:981     7.0   (#   981:10 Double)
 &rst
  ixpk= 981, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1528,1153,1154,
 igr2=1540, 267,
 &end
#
#    78  ARG  HB+    20  PHE  HN        4.5   (#   982:10 Unique)
 &rst
  ixpk= 982, nxpk= 10, iat=  -1, 267, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1147,1148,
 &end
#
#   106  THR  HN    104  ILE  HN        5.5   (#   985:10 Unique)
 &rst
  ixpk= 985, nxpk= 10, iat=1580,1550, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  10-2:986 104  ILE  HN        4.5   (#   986:10 Single)
 &rst
  ixpk= 986, nxpk= 10, iat=  -1,1550, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1525,1508,1573,
 &end
#
#   103  ALA  HA    104  ILE  HN        5.5   (#   987:10 Unique)
 &rst
  ixpk= 987, nxpk= 10, iat=1542,1550, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   101  GLN  HG-   104  ILE  HN        5.5   (#   988:10 Unique)
 &rst
  ixpk= 988, nxpk= 10, iat=  -1,1550, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1513,1514,
 &end
#
#   101  GLN  HB-   104  ILE  HN        4.5   (#   989:10 Unique)
 &rst
  ixpk= 989, nxpk= 10, iat=  -1,1550, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1510,1511,
 &end
#
#     0  AMB  10-2:990 105  SER  HN        4.5   (#   990:10 Single)
 &rst
  ixpk= 990, nxpk= 10, iat=  -1,1569, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1560,1561,1619,1620,
 &end
#
#     0  AMB  10-2:991 105  SER  HN        4.5   (#   991:10 Single)
 &rst
  ixpk= 991, nxpk= 10, iat=  -1,1569, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 650, 651, 652, 654, 655, 656, 350, 351,
 &end
#
#   103  ALA  HN    105  SER  HN        5.5   (#   994:10 Unique)
 &rst
  ixpk= 994, nxpk= 10, iat=1540,1569, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  10-2:995 106  THR  HN        4.5   (#   995:10 Single)
 &rst
  ixpk= 995, nxpk= 10, iat=  -1,1580, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1793,1794,1795,1797,1798,1799,1793,1794,1795,1797,
      1798,1799,1544,1545,1546,
 &end
#
#    90  VAL  MGX   106  THR  HN        5.5   (#   996:10 Unique)
 &rst
  ixpk= 996, nxpk= 10, iat=  -1,1580, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1357,1358,1359,1361,1362,1363,
 &end
#
#     0  AMB  10-2:997 106  THR  HN        5.5   (#   997:10 Single)
 &rst
  ixpk= 997, nxpk= 10, iat=  -1,1580, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 650, 651, 652, 654, 655, 656,1556,1557,1558,1500,
      1501,1502,
 &end
#
#   103  ALA  HA    106  THR  HN        3.5   (#   998:10 Unique)
 &rst
  ixpk= 998, nxpk= 10, iat=1542,1580, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   105  SER  HA    106  THR  HN        4.5   (#   999:10 Unique)
 &rst
  ixpk= 999, nxpk= 10, iat=1571,1580, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   106  THR  HA    107  GLU  HN        4.5   (#  1001:10 Unique)
 &rst
  ixpk= 1001, nxpk= 10, iat=1582,1594, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   107  GLU  HG-   107  GLU  HN        3.5   (#  1002:10 Unique)
 &rst
  ixpk= 1002, nxpk= 10, iat=  -1,1594, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1601,1602,
 &end
#
#   118  VAL  HB    107  GLU  HN        7.0   (#  1003:10 Unique)
 &rst
  ixpk= 1003, nxpk= 10, iat=1791,1594, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#     0  AMB  10-2:1004 107  GLU  HN        4.5   (#  1004:10 Single)
 &rst
  ixpk= 1004, nxpk= 10, iat=  -1,1594, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1613,1660,1661,
 &end
#
#     0  AMB  10-2:1005 107  GLU  HN        5.5   (#  1005:10 Single)
 &rst
  ixpk= 1005, nxpk= 10, iat=  -1,1594, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1=1616,1617,1619,1620,1660,1661,1614,
 &end
#
#     0  AMB  10-2:1006 107  GLU  HN        5.5   (#  1006:10 Single)
 &rst
  ixpk= 1006, nxpk= 10, iat=  -1,1594, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1=1619,1620,1560,1561,1676,1677,1678,
 &end
#
#   108  LYS  HG+   107  GLU  HN        7.0   (#  1007:10 Unique)
 &rst
  ixpk= 1007, nxpk= 10, iat=  -1,1594, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1616,1617,
 &end
#
#     0  AMB  10-2:1008 107  GLU  HN        5.5   (#  1008:10 Single)
 &rst
  ixpk= 1008, nxpk= 10, iat=  -1,1594, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
 igr1=1793,1794,1795,1797,1798,1799,1793,1794,1795,1797,
      1798,1799,1544,1545,1546,
 &end
#
#   107  GLU  HN    104  ILE  QG2        5.5   (#  1009:10 Single)
 &rst
  ixpk= 1009, nxpk= 10, iat=1594,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1556,1557,1558,
 &end
#
#     0  AMB  10-2:1010 107  GLU  HN        5.5   (#  1010:10 Single)
 &rst
  ixpk= 1010, nxpk= 10, iat=  -1,1594, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1542,1663,1664,
 &end
#
#     0  AMB  10-2:1011 108  LYS  HN        5.5   (#  1011:10 Single)
 &rst
  ixpk= 1011, nxpk= 10, iat=  -1,1609, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1582,1633,
 &end
#
#   110  LYS  HN    109  ILE  HN        3.5   (#  1012:10 Unique)
 &rst
  ixpk= 1012, nxpk= 10, iat=1650,1631, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  10-2:1013 109  ILE  HN        3.5   (#  1013:10 Single)
 &rst
  ixpk= 1013, nxpk= 10, iat=  -1,1631, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 168, 169, 170, 172, 173, 174,1793,1794,1795,1797,
      1798,1799,
 &end
#
#   109  ILE  QD1   109  ILE  HN        3.5   (#  1014:10 Unique)
 &rst
  ixpk= 1014, nxpk= 10, iat=  -1,1631, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1644,1645,1646,
 &end
#
#   109  ILE  HN    110  LYS  HN        3.5   (#  1015:10 Unique)
 &rst
  ixpk= 1015, nxpk= 10, iat=1631,1650, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   111  ALA  HN    110  LYS  HN        3.5   (#  1016:10 Unique)
 &rst
  ixpk= 1016, nxpk= 10, iat=1672,1650, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   110  LYS  HA    110  LYS  HN        3.5   (#  1017:10 Unique)
 &rst
  ixpk= 1017, nxpk= 10, iat=1652,1650, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  10-2:1018 110  LYS  HN        4.5   (#  1018:10 Single)
 &rst
  ixpk= 1018, nxpk= 10, iat=  -1,1650, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1633,1582,
 &end
#
#     0  AMB  10-2:1019 110  LYS  HN        4.5   (#  1019:10 Single)
 &rst
  ixpk= 1019, nxpk= 10, iat=  -1,1650, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=1657,1658,1676,1677,1678,
 &end
#
#     0  AMB  10-2:1020 110  LYS  HN        3.5   (#  1020:10 Single)
 &rst
  ixpk= 1020, nxpk= 10, iat=  -1,1650, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1793,1794,1795,1797,1798,1799,1793,1794,1795,1797,
      1798,1799,
 &end
#
#     0  AMB  10-2:1021 110  LYS  HN        5.5   (#  1021:10 Single)
 &rst
  ixpk= 1021, nxpk= 10, iat=  -1,1650, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1637,1638,1639, 168, 169, 170, 172, 173, 174,
 &end
#
#   110  LYS  HA    111  ALA  HN        7.0   (#  1022:10 Unique)
 &rst
  ixpk= 1022, nxpk= 10, iat=1652,1672, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   107  GLU  HA    111  ALA  HN        4.5   (#  1023:10 Unique)
 &rst
  ixpk= 1023, nxpk= 10, iat=1596,1672, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   113  TYR  HN    111  ALA  HN        5.5   (#  1024:10 Unique)
 &rst
  ixpk= 1024, nxpk= 10, iat=1704,1672, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   109  ILE  HA    112  LYS  HN        5.5   (#  1025:10 Unique)
 &rst
  ixpk= 1025, nxpk= 10, iat=1633,1682, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  10-2:1026 112  LYS  HN        5.5   (#  1026:10 Single)
 &rst
  ixpk= 1026, nxpk= 10, iat=  -1,1682, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 166,1613,
 &end
#
#     0  AMB  10-2:1027 112  LYS  HN        5.5   (#  1027:10 Single)
 &rst
  ixpk= 1027, nxpk= 10, iat=  -1,1682, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 168, 169, 170, 172, 173, 174,1793,1794,1795,1797,
      1798,1799,
 &end
#
#   119  THR  MG2   118  VAL  HN        5.5   (#  1028:10 Unique)
 &rst
  ixpk= 1028, nxpk= 10, iat=  -1,1787, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1809,1810,1811,
 &end
#
#     0  AMB  10-2:1029 118  VAL  HN        5.5   (#  1029:10 Single)
 &rst
  ixpk= 1029, nxpk= 10, iat=  -1,1787, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1660,1661,1657,1658,
 &end
#
#   117  GLU  HG-   118  VAL  HN        4.5   (#  1030:10 Unique)
 &rst
  ixpk= 1030, nxpk= 10, iat=  -1,1787, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1779,1780,
 &end
#
#   117  GLU  HG+   118  VAL  HN        4.5   (#  1031:10 Unique)
 &rst
  ixpk= 1031, nxpk= 10, iat=  -1,1787, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1779,1780,
 &end
#
#   118  VAL  HA    118  VAL  HN        4.5   (#  1032:10 Unique)
 &rst
  ixpk= 1032, nxpk= 10, iat=1789,1787, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   121  ALA  HA    120  TRP  HN        5.5   (#  1034:10 Unique)
 &rst
  ixpk= 1034, nxpk= 10, iat=1843,1817, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    89  HIS  HE1   120  TRP  HN        5.5   (#  1035:10 Unique)
 &rst
  ixpk= 1035, nxpk= 10, iat=1344,1817, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   121  ALA  HN    120  TRP  HN        5.5   (#  1036:10 Unique)
 &rst
  ixpk= 1036, nxpk= 10, iat=1841,1817, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   119  THR  HN    120  TRP  HN        5.5   (#  1037:10 Unique)
 &rst
  ixpk= 1037, nxpk= 10, iat=1803,1817, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   120  TRP  HE1   120  TRP  HN        7.0   (#  1038:10 Unique)
 &rst
  ixpk= 1038, nxpk= 10, iat=1827,1817, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    91  TYR  HB-   121  ALA  HN        4.5   (#  1039:10 Unique)
 &rst
  ixpk= 1039, nxpk= 10, iat=  -1,1841, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1371,1372,
 &end
#
#    90  VAL  HB    121  ALA  HN        5.5   (#  1040:10 Unique)
 &rst
  ixpk= 1040, nxpk= 10, iat=1355,1841, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    90  VAL  HN    121  ALA  HN        4.5   (#  1041:10 Unique)
 &rst
  ixpk= 1041, nxpk= 10, iat=1351,1841, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     0  AMB  10-2:1042 121  ALA  HN        7.0   (#  1042:10 Single)
 &rst
  ixpk= 1042, nxpk= 10, iat=  -1,1841, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1528,1855,1856,
 &end
#
#   122  ASN  HB+   122  ASN  HN        4.5   (#  1043:10 Unique)
 &rst
  ixpk= 1043, nxpk= 10, iat=  -1,1851, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1855,1856,
 &end
#
#   122  ASN  HA    122  ASN  HN        4.5   (#  1044:10 Unique)
 &rst
  ixpk= 1044, nxpk= 10, iat=1853,1851, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   123  ASP  HN    122  ASN  HN        5.5   (#  1045:10 Unique)
 &rst
  ixpk= 1045, nxpk= 10, iat=1865,1851, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   122  ASN  HN    123  ASP  HN        4.5   (#  1046:10 Unique)
 &rst
  ixpk= 1046, nxpk= 10, iat=1851,1865, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   122  ASN  HB+   123  ASP  HN        4.5   (#  1047:10 Unique)
 &rst
  ixpk= 1047, nxpk= 10, iat=  -1,1865, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1855,1856,
 &end
#
#   122  ASN  HB-   123  ASP  HN        4.5   (#  1048:10 Unique)
 &rst
  ixpk= 1048, nxpk= 10, iat=  -1,1865, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1855,1856,
 &end
#
#   125  TYR  HN    124  GLY  HN        4.5   (#  1049:10 Unique)
 &rst
  ixpk= 1049, nxpk= 10, iat=1884,1877, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   123  ASP  HN    124  GLY  HN        5.5   (#  1050:10 Unique)
 &rst
  ixpk= 1050, nxpk= 10, iat=1865,1877, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    82  GLN  HE2+   82  GLN  HN        5.5   (#  1057:10 Unique)
 &rst
  ixpk= 1057, nxpk= 10, iat=  -1,1214, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1226,1227,
 &end
#
#     0  AMB  10-2:1058 120  TRP  HE1       5.5   (#  1058:10 Single)
 &rst
  ixpk= 1058, nxpk= 10, iat=  -1,1827, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1584,1525,1508,
 &end
#
#     0  AMB  10-2:1059 120  TRP  HE1       5.5   (#  1059:10 Single)
 &rst
  ixpk= 1059, nxpk= 10, iat=  -1,1827, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1540,1817,
 &end
#
#   106  THR  HN    120  TRP  HE1       7.0   (#  1060:10 Unique)
 &rst
  ixpk= 1060, nxpk= 10, iat=1580,1827, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    13  ASP  HA     13  ASP  HN        3.5   (#  1061:10 Unique)
 &rst
  ixpk= 1061, nxpk= 10, iat= 180, 178, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    45  ARG  HD-    13  ASP  HN        5.5   (#  1062:10 Unique)
 &rst
  ixpk= 1062, nxpk= 10, iat=  -1, 178, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 670, 671,
 &end
#
#    45  ARG  HD+    13  ASP  HN        5.5   (#  1063:10 Unique)
 &rst
  ixpk= 1063, nxpk= 10, iat=  -1, 178, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 670, 671,
 &end
#
#     6  LEU  HN      5  ASP  HN         4.5   (#  1064:10 Unique)
 &rst
  ixpk= 1064, nxpk= 10, iat=  69,  57, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     9  ILE  HN      7  ALA  MB         4.5   (#  1065:10 Unique)
 &rst
  ixpk= 1065, nxpk= 10, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  92,  93,  94,
 &end
#
#   122  ASN  HB+   122  ASN  HD2-      4.5   (#  1066:10 Unique)
 &rst
  ixpk= 1066, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1855,1856,
 igr2=1860,1861,
 &end
#
#    45  ARG  HA     13  ASP  HN        4.5   (#  1069:10 Unique)
 &rst
  ixpk= 1069, nxpk= 10, iat= 662, 178, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     0  AMB  10-2:1070  26  ARG  HE        3.5   (#  1070:10 Single)
 &rst
  ixpk= 1070, nxpk= 10, iat=  -1, 397, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 394, 395, 394, 395,
 &end
#
#    26  ARG  HE     26  ARG  HB2        5.5   (#  1071:10 Single)
 &rst
  ixpk= 1071, nxpk= 10, iat= 397, 388, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    26  ARG  HB3    26  ARG  HE        7.0   (#  1072:10 Unique)
 &rst
  ixpk= 1072, nxpk= 10, iat= 389, 397, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    26  ARG  HG+    26  ARG  HE        5.5   (#  1073:10 Unique)
 &rst
  ixpk= 1073, nxpk= 10, iat=  -1, 397, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 391, 392,
 &end
#
#    74  LEU  MDX    26  ARG  HE        4.5   (#  1074:10 Unique)
 &rst
  ixpk= 1074, nxpk= 10, iat=  -1, 397, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1112,1113,1114,1116,1117,1118,
 &end
#
#    90  VAL  HA     90  VAL  HN        5.5   (#  1075:10 Unique)
 &rst
  ixpk= 1075, nxpk= 10, iat=1353,1351, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    13  ASP  HB3    13  ASP  HN        5.5   (#  1077:10 Unique)
 &rst
  ixpk= 1077, nxpk= 10, iat= 183, 178, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    13  ASP  HB2    13  ASP  HN        5.5   (#  1078:10 Unique)
 &rst
  ixpk= 1078, nxpk= 10, iat= 182, 178, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  10-2:1079  13  ASP  HN        5.5   (#  1079:10 Single)
 &rst
  ixpk= 1079, nxpk= 10, iat=  -1, 178, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 200, 201, 143, 144,
 &end
#
#     0  AMB  10-2:1080  13  ASP  HN        4.5   (#  1080:10 Single)
 &rst
  ixpk= 1080, nxpk= 10, iat=  -1, 178, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 162, 190,
 &end
#
#    44  VAL  HN     13  ASP  HN        5.5   (#  1081:10 Unique)
 &rst
  ixpk= 1081, nxpk= 10, iat= 644, 178, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    10  PRO  HA     11  ASP  HN        5.5   (#  1082:10 Unique)
 &rst
  ixpk= 1082, nxpk= 10, iat= 146, 150, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     6  LEU  MDX    30  ALA  HN        7.0   (#  1083:10 Unique)
 &rst
  ixpk= 1083, nxpk= 10, iat=  -1, 452, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=  78,  79,  80,  82,  83,  84,
 &end
#
#     6  LEU  HA      9  ILE  HN        4.5   (#  1090:10 Unique)
 &rst
  ixpk= 1090, nxpk= 10, iat=  71, 117, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    10  PRO  HD+     9  ILE  HN        5.5   (#  1091:10 Unique)
 &rst
  ixpk= 1091, nxpk= 10, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 137, 138,
 &end
#
#     0  AMB  10-2:1092   9  ILE  HN        5.5   (#  1092:10 Single)
 &rst
  ixpk= 1092, nxpk= 10, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 601, 602,  61,  62,
 &end
#
#     7  ALA  HN      9  ILE  HN        5.5   (#  1093:10 Unique)
 &rst
  ixpk= 1093, nxpk= 10, iat=  88, 117, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    62  GLY  HN     64  MET  HN        5.5   (#  1099:10 Unique)
 &rst
  ixpk= 1099, nxpk= 10, iat= 944, 963, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    66  LYS  HN     64  MET  HN        5.5   (#  1100:10 Unique)
 &rst
  ixpk= 1100, nxpk= 10, iat= 997, 963, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   118  VAL  HN    119  THR  HN        5.5   (#  1101:10 Unique)
 &rst
  ixpk= 1101, nxpk= 10, iat=1787,1803, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   119  THR  HN     90  VAL  HN         5.5   (#  1102:10 Unique)
 &rst
  ixpk= 1102, nxpk= 10, iat=1803,1351, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  10-2:1107  12  VAL  HN        4.5   (#  1107:10 Single)
 &rst
  ixpk= 1107, nxpk= 10, iat=  -1, 162, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 644, 150,
 &end
#
#    45  ARG  HE     12  VAL  HN        5.5   (#  1108:10 Unique)
 &rst
  ixpk= 1108, nxpk= 10, iat= 673, 162, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    82  GLN  HG+    82  GLN  HE2-      4.5   (#  1115:10 Unique)
 &rst
  ixpk= 1115, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1221,1222,
 igr2=1226,1227,
 &end
#
#   101  GLN  HG-   101  GLN  HE2+      4.5   (#  1116:10 Unique)
 &rst
  ixpk= 1116, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1513,1514,
 igr2=1518,1519,
 &end
#
#     0  AMB  10-2:1117   0  AMB  10-1:1117     5.5   (#  1117:10 Double)
 &rst
  ixpk= 1117, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1=1563,1564,1565,1112,1113,1114,1116,1117,1118,
 igr2=1518,1519,1518,1519,
 &end
#
#     0  AMB  10-2:1118 101  GLN  HE2-      4.5   (#  1118:10 Single)
 &rst
  ixpk= 1118, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1563,1564,1565,1112,1113,1114,1116,1117,1118,
 igr2=1518,1519,
 &end
#
#   101  GLN  HG-   101  GLN  HE2-      5.5   (#  1119:10 Unique)
 &rst
  ixpk= 1119, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1513,1514,
 igr2=1518,1519,
 &end
#
#   122  ASN  HA    122  ASN  HD2+      7.0   (#  1120:10 Unique)
 &rst
  ixpk= 1120, nxpk= 10, iat=1853,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1860,1861,
 &end
#
#     0  AMB  10-2:1121   0  AMB  10-1:1121     4.5   (#  1121:10 Double)
 &rst
  ixpk= 1121, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 987, 988,1058,1059,
 igr2= 992, 993, 992, 993,
 &end
#
#     0  AMB  10-2:1122  65  GLN  HE2-      5.5   (#  1122:10 Single)
 &rst
  ixpk= 1122, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 987, 988,1058,1059,
 igr2= 992, 993,
 &end
#
#    97  TYR  HA     97  TYR  HN        3.5   (#  1123:10 Unique)
 &rst
  ixpk= 1123, nxpk= 10, iat=1456,1454, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    97  TYR  HB+    97  TYR  HN        5.5   (#  1124:10 Unique)
 &rst
  ixpk= 1124, nxpk= 10, iat=  -1,1454, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1458,1459,
 &end
#
#    97  TYR  HB-    97  TYR  HN        4.5   (#  1125:10 Unique)
 &rst
  ixpk= 1125, nxpk= 10, iat=  -1,1454, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1458,1459,
 &end
#
#    96  ALA  MB     97  TYR  HN        3.5   (#  1126:10 Unique)
 &rst
  ixpk= 1126, nxpk= 10, iat=  -1,1454, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1448,1449,1450,
 &end
#
#    49  TRP  HD1    49  TRP  HE1       2.8   (#  1131:10 Unique)
 &rst
  ixpk= 1131, nxpk= 10, iat= 742, 744, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    49  TRP  HH2    49  TRP  HE1       5.5   (#  1132:10 Unique)
 &rst
  ixpk= 1132, nxpk= 10, iat= 749, 744, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    49  TRP  HZ2    49  TRP  HE1       2.8   (#  1133:10 Unique)
 &rst
  ixpk= 1133, nxpk= 10, iat= 747, 744, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    47  TYR  HD     49  TRP  HE1       3.5   (#  1134:10 Unique)
 &rst
  ixpk= 1134, nxpk= 10, iat=  -1, 744, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 699, 708,
 &end
#
#     5  ASP  HN      8  LEU  HN        7.0   (#  1138:10 Unique)
 &rst
  ixpk= 1138, nxpk= 10, iat=  57,  98, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#     6  LEU  HA      8  LEU  HN        5.5   (#  1140:10 Unique)
 &rst
  ixpk= 1140, nxpk= 10, iat=  71,  98, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     5  ASP  HA      8  LEU  HN        5.5   (#  1141:10 Unique)
 &rst
  ixpk= 1141, nxpk= 10, iat=  59,  98, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    93  TYR  HA     76  GLY  HN        7.0   (#  1142:10 Unique)
 &rst
  ixpk= 1142, nxpk= 10, iat=1397,1129, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   100  ALA  HA     76  GLY  HN        5.5   (#  1143:10 Unique)
 &rst
  ixpk= 1143, nxpk= 10, iat=1498,1129, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    87  LYS  HA     88  ILE  HN        7.0   (#  1144:10 Unique)
 &rst
  ixpk= 1144, nxpk= 10, iat=1295,1315, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    89  HIS  HE1   121  ALA  HN        5.5   (#  1145:10 Unique)
 &rst
  ixpk= 1145, nxpk= 10, iat=1344,1841, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    56  ILE  HG1+   47  TYR  HN        7.0   (#  1146:10 Unique)
 &rst
  ixpk= 1146, nxpk= 10, iat=  -1, 691, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 853, 854,
 &end
#
#    98  GLY  HN     97  TYR  HN        4.5   (#  1148:10 Unique)
 &rst
  ixpk= 1148, nxpk= 10, iat=1475,1454, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    97  TYR  HD     98  GLY  HN        5.5   (#  1149:10 Unique)
 &rst
  ixpk= 1149, nxpk= 10, iat=  -1,1475, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1462,1471,
 &end
#
#    96  ALA  MB     98  GLY  HN        7.0   (#  1150:10 Unique)
 &rst
  ixpk= 1150, nxpk= 10, iat=  -1,1475, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1448,1449,1450,
 &end
#
#    75  GLY  HA+    98  GLY  HN        7.0   (#  1151:10 Unique)
 &rst
  ixpk= 1151, nxpk= 10, iat=  -1,1475, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1124,1125,
 &end
#
#    99  PRO  HD-    98  GLY  HN        7.0   (#  1152:10 Unique)
 &rst
  ixpk= 1152, nxpk= 10, iat=  -1,1475, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1483,1484,
 &end
#
#    76  GLY  HN     94  SER  HN        7.0   (#  1154:10 Unique)
 &rst
  ixpk= 1154, nxpk= 10, iat=1129,1416, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    90  VAL  HB     91  TYR  HN        7.0   (#  1158:10 Unique)
 &rst
  ixpk= 1158, nxpk= 10, iat=1355,1367, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    94  SER  HA     94  SER  HN        7.0   (#  1159:10 Unique)
 &rst
  ixpk= 1159, nxpk= 10, iat=1418,1416, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    67  GLN  HB3     4  ALA  HN        7.0   (#  1160:10 Unique)
 &rst
  ixpk= 1160, nxpk= 10, iat=1024,  47, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#     0  AMB  10-2:1161  12  VAL  HN        7.0   (#  1161:10 Single)
 &rst
  ixpk= 1161, nxpk= 10, iat=  -1, 162, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1692,1693, 667, 668,
 &end
#
#    14  ILE  HN     14  ILE  HB         5.5   (#  1162:10 Double)
 &rst
  ixpk= 1162, nxpk= 10, iat= 190, 194, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    10  PRO  HB-    12  VAL  HN        4.5   (#  1163:10 Unique)
 &rst
  ixpk= 1163, nxpk= 10, iat=  -1, 162, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 143, 144,
 &end
#
#    35  ALA  HN     36  PRO  HD-        4.5   (#  1164:10 Unique)
 &rst
  ixpk= 1164, nxpk= 10, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 529, 530,
 &end
#
#    57  TYR  HE     72  GLU  HN        7.0   (#  1165:10 Unique)
 &rst
  ixpk= 1165, nxpk= 10, iat=  -1,1077, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 872, 877,
 &end
#
#    12  VAL  MGX   113  TYR  HN        5.5   (#  1166:10 Unique)
 &rst
  ixpk= 1166, nxpk= 10, iat=  -1,1704, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 168, 169, 170, 172, 173, 174,
 &end
#
#    56  ILE  HG1+   57  TYR  HN        7.0   (#  1168:10 Unique)
 &rst
  ixpk= 1168, nxpk= 10, iat=  -1, 862, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 853, 854,
 &end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    HA   MET   1           HA       MET   1  -0.661  -6.322  -1.363
    2    H1   MET   1           H1       MET   1  -0.247  -7.557  -3.989
    3    H2   MET   1           H2       MET   1  -1.039  -6.160  -3.697
    4    H3   MET   1           H3       MET   1  -1.658  -7.575  -3.145
    5    HB2  MET   1           2HB      MET   1  -0.638  -8.850  -1.351
    6    HB3  MET   1           3HB      MET   1   0.995  -8.801  -2.019
    7    HG2  MET   1           2HG      MET   1   0.995  -9.159   0.401
    8    HG3  MET   1           3HG      MET   1   1.813  -7.659  -0.010
    9    HE1  MET   1           3HE      MET   1   1.020  -8.442   2.909
   10    HE2  MET   1           1HE      MET   1   1.765  -6.873   2.531
   11    HE3  MET   1           2HE      MET   1   0.307  -6.943   3.534
   12    H    ALA   2           H        ALA   2   1.244  -5.333  -0.437
   13    HA   ALA   2           HA       ALA   2   3.630  -5.037  -2.143
   14    HB1  ALA   2           3HB      ALA   2   2.274  -3.005  -2.600
   15    HB2  ALA   2           1HB      ALA   2   2.116  -2.713  -0.852
   16    HB3  ALA   2           2HB      ALA   2   3.706  -2.607  -1.631
   17    H    VAL   3           H        VAL   3   5.515  -4.539  -0.787
   18    HA   VAL   3           HA       VAL   3   5.447  -5.616   1.854
   19    HB   VAL   3           HB       VAL   3   7.783  -4.674   1.923
   20   HG11  VAL   3          1HG1      VAL   3   7.133  -6.447  -0.466
   21   HG12  VAL   3          2HG1      VAL   3   8.710  -6.294   0.336
   22   HG13  VAL   3          3HG1      VAL   3   7.342  -6.980   1.217
   23   HG21  VAL   3          3HG2      VAL   3   7.346  -3.944  -1.007
   24   HG22  VAL   3          1HG2      VAL   3   7.500  -2.777   0.327
   25   HG23  VAL   3          2HG2      VAL   3   8.852  -3.839  -0.083
   26    H    ALA   4           H        ALA   4   6.061  -4.400   3.748
   27    HA   ALA   4           HA       ALA   4   5.308  -1.537   3.809
   28    HB1  ALA   4           3HB      ALA   4   3.429  -2.827   4.793
   29    HB2  ALA   4           1HB      ALA   4   4.565  -3.645   5.895
   30    HB3  ALA   4           2HB      ALA   4   4.285  -1.898   6.035
   31    H    ASP   5           H        ASP   5   6.243  -0.658   6.022
   32    HA   ASP   5           HA       ASP   5   8.700  -1.986   6.872
   33    HB2  ASP   5           2HB      ASP   5   9.439  -0.653   4.902
   34    HB3  ASP   5           3HB      ASP   5   8.689   0.791   5.586
   35    H    LEU   6           H        LEU   6   9.385  -1.016   8.947
   36    HA   LEU   6           HA       LEU   6   7.189  -0.321  10.582
   37    HG   LEU   6           HG       LEU   6   9.581  -2.387  10.668
   38    HB2  LEU   6           2HB      LEU   6  10.181  -0.014  11.079
   39    HB3  LEU   6           3HB      LEU   6   8.929   0.080  12.309
   40   HD11  LEU   6          1HD1      LEU   6  10.089  -1.771  13.603
   41   HD12  LEU   6          2HD1      LEU   6  10.456  -3.291  12.750
   42   HD13  LEU   6          3HD1      LEU   6  11.318  -1.808  12.319
   43   HD21  LEU   6          3HD2      LEU   6   7.568  -1.969  12.926
   44   HD22  LEU   6          1HD2      LEU   6   7.222  -2.459  11.250
   45   HD23  LEU   6          2HD2      LEU   6   8.084  -3.558  12.324
   46    H    ALA   7           H        ALA   7   9.302   1.783   8.691
   47    HA   ALA   7           HA       ALA   7   8.839   4.184  10.153
   48    HB1  ALA   7           3HB      ALA   7  10.573   3.945   8.404
   49    HB2  ALA   7           1HB      ALA   7   9.299   3.779   7.168
   50    HB3  ALA   7           2HB      ALA   7   9.485   5.304   8.056
   51    H    LEU   8           H        LEU   8   6.769   2.342   7.938
   52    HA   LEU   8           HA       LEU   8   5.013   4.577   7.279
   53    HG   LEU   8           HG       LEU   8   6.446   2.144   5.627
   54    HB2  LEU   8           2HB      LEU   8   4.519   1.577   7.061
   55    HB3  LEU   8           3HB      LEU   8   3.561   2.848   6.315
   56   HD11  LEU   8          1HD1      LEU   8   3.879   1.841   4.013
   57   HD12  LEU   8          2HD1      LEU   8   5.515   1.350   3.518
   58   HD13  LEU   8          3HD1      LEU   8   4.709   0.528   4.866
   59   HD21  LEU   8          3HD2      LEU   8   4.620   4.268   4.416
   60   HD22  LEU   8          1HD2      LEU   8   6.142   4.551   5.292
   61   HD23  LEU   8          2HD2      LEU   8   6.170   3.735   3.728
   62    H    ILE   9           H        ILE   9   5.245   2.203   9.861
   63    HA   ILE   9           HA       ILE   9   2.473   2.458  10.712
   64    HB   ILE   9           HB       ILE   9   4.941   1.123  11.885
   65   HG12  ILE   9          2HG1      ILE   9   2.341  -0.005  10.732
   66   HG13  ILE   9          3HG1      ILE   9   3.843   0.146   9.824
   67   HG21  ILE   9          1HG2      ILE   9   2.108   1.089  13.023
   68   HG22  ILE   9          2HG2      ILE   9   3.481   0.116  13.608
   69   HG23  ILE   9          3HG2      ILE   9   3.522   1.859  13.775
   70   HD11  ILE   9          3HD1      ILE   9   4.972  -1.396  11.402
   71   HD12  ILE   9          1HD1      ILE   9   3.420  -1.649  12.237
   72   HD13  ILE   9          2HD1      ILE   9   3.592  -2.120  10.544
   73    HA   PRO  10           HA       PRO  10   3.472   6.353  12.741
   74    HB2  PRO  10           2HB      PRO  10   1.206   6.687  14.287
   75    HB3  PRO  10           3HB      PRO  10   1.272   7.004  12.527
   76    HG2  PRO  10           2HG      PRO  10   0.273   4.525  13.943
   77    HG3  PRO  10           3HG      PRO  10  -0.488   5.411  12.587
   78    HD2  PRO  10           2HD      PRO  10   0.996   3.161  12.197
   79    HD3  PRO  10           3HD      PRO  10   1.035   4.511  11.023
   80    H    ASP  11           H        ASP  11   4.481   6.872  14.689
   81    HA   ASP  11           HA       ASP  11   5.293   4.581  16.218
   82    HB2  ASP  11           2HB      ASP  11   6.674   6.604  15.450
   83    HB3  ASP  11           3HB      ASP  11   5.969   7.480  16.814
   84    H    VAL  12           H        VAL  12   3.079   7.229  16.805
   85    HA   VAL  12           HA       VAL  12   2.110   6.017  19.304
   86    HB   VAL  12           HB       VAL  12   2.560   8.994  18.850
   87   HG11  VAL  12          1HG1      VAL  12   1.553   7.581  21.347
   88   HG12  VAL  12          2HG1      VAL  12   1.827   9.323  21.129
   89   HG13  VAL  12          3HG1      VAL  12   0.557   8.520  20.216
   90   HG21  VAL  12          3HG2      VAL  12   4.049   7.086  20.684
   91   HG22  VAL  12          1HG2      VAL  12   4.711   7.974  19.293
   92   HG23  VAL  12          2HG2      VAL  12   4.181   8.860  20.723
   93    H    ASP  13           H        ASP  13  -0.145   5.929  19.168
   94    HA   ASP  13           HA       ASP  13  -1.576   7.760  17.407
   95    HB2  ASP  13           2HB      ASP  13  -0.979   5.857  15.879
   96    HB3  ASP  13           3HB      ASP  13  -1.868   4.765  16.938
   97    H    ILE  14           H        ILE  14  -2.934   8.511  18.906
   98    HA   ILE  14           HA       ILE  14  -4.294   6.655  20.705
   99    HB   ILE  14           HB       ILE  14  -3.909   8.140  22.643
  100   HG12  ILE  14          2HG1      ILE  14  -1.819   9.538  20.910
  101   HG13  ILE  14          3HG1      ILE  14  -3.320  10.242  21.515
  102   HG21  ILE  14          1HG2      ILE  14  -1.277   7.078  21.535
  103   HG22  ILE  14          2HG2      ILE  14  -1.748   7.244  23.239
  104   HG23  ILE  14          3HG2      ILE  14  -2.564   6.067  22.218
  105   HD11  ILE  14          3HD1      ILE  14  -2.477   9.914  23.865
  106   HD12  ILE  14          1HD1      ILE  14  -0.916   9.395  23.180
  107   HD13  ILE  14          2HD1      ILE  14  -1.509  11.031  22.882
  108    H    ASP  15           H        ASP  15  -6.308   7.389  21.377
  109    HA   ASP  15           HA       ASP  15  -7.344   9.912  20.137
  110    HB2  ASP  15           2HB      ASP  15  -8.425   7.947  19.094
  111    HB3  ASP  15           3HB      ASP  15  -8.880   7.336  20.689
  112    H    SER  16           H        SER  16  -7.678  11.373  21.755
  113    HA   SER  16           HA       SER  16  -8.022  10.351  24.538
  114    HG   SER  16           HG       SER  16  -5.609   9.810  23.868
  115    HB2  SER  16           2HB      SER  16  -6.128  12.586  23.734
  116    HB3  SER  16           3HB      SER  16  -6.166  11.646  25.227
  117    H    ASP  17           H        ASP  17  -9.549  11.388  25.671
  118    HA   ASP  17           HA       ASP  17  -9.895  14.283  25.461
  119    HB2  ASP  17           2HB      ASP  17 -11.405  13.307  23.680
  120    HB3  ASP  17           3HB      ASP  17 -12.259  12.435  24.950
  121    H    GLY  18           H        GLY  18  -9.167  11.985  27.456
  122    HA2  GLY  18           2HA      GLY  18 -10.113  12.917  29.888
  123    HA3  GLY  18           3HA      GLY  18 -11.284  11.693  29.343
  124    H    VAL  19           H        VAL  19 -10.510  10.308  31.134
  125    HA   VAL  19           HA       VAL  19  -7.847   9.111  30.983
  126    HB   VAL  19           HB       VAL  19 -10.366   8.168  32.426
  127   HG11  VAL  19          1HG1      VAL  19  -7.430   7.439  32.830
  128   HG12  VAL  19          2HG1      VAL  19  -8.784   6.910  33.864
  129   HG13  VAL  19          3HG1      VAL  19  -8.697   6.369  32.191
  130   HG21  VAL  19          3HG2      VAL  19  -8.093   9.893  33.486
  131   HG22  VAL  19          1HG2      VAL  19  -9.782  10.392  33.277
  132   HG23  VAL  19          2HG2      VAL  19  -9.375   9.162  34.471
  133    H    PHE  20           H        PHE  20  -7.341   7.213  29.819
  134    HA   PHE  20           HA       PHE  20  -9.422   5.344  29.034
  135    HD1  PHE  20           HD1      PHE  20  -8.259   8.900  27.547
  136    HD2  PHE  20           HD2      PHE  20  -6.604   5.443  25.597
  137    HE1  PHE  20           HE1      PHE  20  -6.295  10.233  26.877
  138    HE2  PHE  20           HE2      PHE  20  -4.673   6.802  24.834
  139    HZ   PHE  20           HZ       PHE  20  -4.484   9.183  25.515
  140    HB2  PHE  20           2HB      PHE  20  -8.797   5.336  26.626
  141    HB3  PHE  20           3HB      PHE  20  -9.613   6.807  27.119
  142    H    LYS  21           H        LYS  21  -8.524   3.332  28.385
  143    HA   LYS  21           HA       LYS  21  -5.977   2.630  29.579
  144    HB2  LYS  21           2HB      LYS  21  -7.886   1.090  27.758
  145    HB3  LYS  21           3HB      LYS  21  -6.461   0.400  28.536
  146    HG2  LYS  21           2HG      LYS  21  -7.392   0.986  30.775
  147    HG3  LYS  21           3HG      LYS  21  -8.853   1.617  29.993
  148    HD2  LYS  21           2HD      LYS  21  -9.288  -0.652  29.023
  149    HD3  LYS  21           3HD      LYS  21  -7.832  -1.245  29.828
  150    HE2  LYS  21           2HE      LYS  21  -9.498  -1.897  31.320
  151    HE3  LYS  21           3HE      LYS  21  -8.893  -0.406  32.039
  152    HZ1  LYS  21           3HZ      LYS  21 -10.826   0.727  30.972
  153    HZ2  LYS  21           1HZ      LYS  21 -11.362  -0.735  30.428
  154    HZ3  LYS  21           2HZ      LYS  21 -11.290  -0.425  32.029
  155    H    TYR  22           H        TYR  22  -4.070   1.872  28.503
  156    HA   TYR  22           HA       TYR  22  -3.906   2.133  25.598
  157    HD1  TYR  22           HD2      TYR  22  -1.854   3.733  29.089
  158    HD2  TYR  22           HD1      TYR  22  -0.241   3.292  25.127
  159    HE1  TYR  22           HE2      TYR  22   0.417   3.561  30.049
  160    HE2  TYR  22           HE1      TYR  22   2.048   3.114  26.074
  161    HH   TYR  22           HH       TYR  22   3.361   3.344  27.964
  162    HB2  TYR  22           2HB      TYR  22  -2.525   3.901  25.437
  163    HB3  TYR  22           3HB      TYR  22  -3.173   4.385  26.980
  164    H    VAL  23           H        VAL  23  -1.784   1.229  24.821
  165    HA   VAL  23           HA       VAL  23  -0.462  -0.585  26.725
  166    HB   VAL  23           HB       VAL  23  -2.357  -1.836  25.876
  167   HG11  VAL  23          1HG1      VAL  23  -1.294  -1.304  23.087
  168   HG12  VAL  23          2HG1      VAL  23  -2.595  -2.452  23.503
  169   HG13  VAL  23          3HG1      VAL  23  -2.813  -0.722  23.782
  170   HG21  VAL  23          3HG2      VAL  23   0.252  -2.865  24.715
  171   HG22  VAL  23          1HG2      VAL  23  -0.393  -3.139  26.342
  172   HG23  VAL  23          2HG2      VAL  23  -1.231  -3.813  24.940
  173    H    LEU  24           H        LEU  24   1.604  -1.195  26.092
  174    HA   LEU  24           HA       LEU  24   2.908   0.450  23.969
  175    HG   LEU  24           HG       LEU  24   5.714  -0.907  24.895
  176    HB2  LEU  24           2HB      LEU  24   3.706   0.961  26.243
  177    HB3  LEU  24           3HB      LEU  24   3.905  -0.757  26.589
  178   HD11  LEU  24          1HD1      LEU  24   5.288   2.096  24.616
  179   HD12  LEU  24          2HD1      LEU  24   6.746   1.247  24.085
  180   HD13  LEU  24          3HD1      LEU  24   5.190   0.868  23.341
  181   HD21  LEU  24          3HD2      LEU  24   6.129   1.278  26.987
  182   HD22  LEU  24          1HD2      LEU  24   6.233  -0.483  27.260
  183   HD23  LEU  24          2HD2      LEU  24   7.401   0.317  26.202
  184    H    ILE  25           H        ILE  25   3.437  -0.825  22.216
  185    HA   ILE  25           HA       ILE  25   3.552  -3.791  22.627
  186    HB   ILE  25           HB       ILE  25   2.188  -2.205  20.409
  187   HG12  ILE  25          2HG1      ILE  25   0.950  -4.063  22.492
  188   HG13  ILE  25          3HG1      ILE  25   0.906  -2.301  22.571
  189   HG21  ILE  25          1HG2      ILE  25   2.423  -5.221  20.809
  190   HG22  ILE  25          2HG2      ILE  25   1.510  -4.411  19.509
  191   HG23  ILE  25          3HG2      ILE  25   3.239  -4.265  19.544
  192   HD11  ILE  25          3HD1      ILE  25  -0.417  -2.149  20.554
  193   HD12  ILE  25          1HD1      ILE  25  -0.391  -3.911  20.335
  194   HD13  ILE  25          2HD1      ILE  25  -1.204  -3.220  21.726
  195    H    ARG  26           H        ARG  26   5.270  -4.772  21.713
  196    HA   ARG  26           HA       ARG  26   7.187  -3.141  20.142
  197    HE   ARG  26           HE       ARG  26  10.694  -4.114  21.310
  198    HB2  ARG  26           2HB      ARG  26   8.163  -4.568  21.852
  199    HB3  ARG  26           3HB      ARG  26   7.281  -5.985  21.260
  200    HG2  ARG  26           2HG      ARG  26   8.545  -6.036  19.209
  201    HG3  ARG  26           3HG      ARG  26   9.279  -4.460  19.526
  202    HD2  ARG  26           2HD      ARG  26   9.695  -6.886  21.318
  203    HD3  ARG  26           3HD      ARG  26  10.771  -6.460  19.969
  204   HH11  ARG  26          1HH2      ARG  26  11.433  -7.390  22.523
  205   HH12  ARG  26          2HH2      ARG  26  12.468  -6.802  23.771
  206   HH21  ARG  26          1HH1      ARG  26  11.958  -3.388  22.809
  207   HH22  ARG  26          2HH1      ARG  26  12.802  -4.402  23.970
  208    H    VAL  27           H        VAL  27   7.268  -3.405  17.942
  209    HA   VAL  27           HA       VAL  27   5.455  -5.401  16.702
  210    HB   VAL  27           HB       VAL  27   4.398  -3.272  16.516
  211   HG11  VAL  27          1HG1      VAL  27   6.969  -2.152  15.341
  212   HG12  VAL  27          2HG1      VAL  27   5.400  -1.323  15.365
  213   HG13  VAL  27          3HG1      VAL  27   6.224  -1.688  16.884
  214   HG21  VAL  27          3HG2      VAL  27   5.755  -3.872  13.859
  215   HG22  VAL  27          1HG2      VAL  27   4.371  -4.760  14.535
  216   HG23  VAL  27          2HG2      VAL  27   4.206  -3.044  14.112
  217    H    HIS  28           H        HIS  28   6.343  -6.518  15.043
  218    HA   HIS  28           HA       HIS  28   9.278  -6.239  14.558
  219    HD1  HIS  28           HD1      HIS  28  10.492  -7.855  16.852
  220    HD2  HIS  28           HD2      HIS  28   6.486  -9.148  16.818
  221    HE1  HIS  28           HE1      HIS  28   9.959  -8.637  19.232
  222    HB2  HIS  28           2HB      HIS  28   7.568  -8.763  14.481
  223    HB3  HIS  28           3HB      HIS  28   9.319  -8.651  14.400
  224    H    SER  29           H        SER  29   9.770  -6.071  12.318
  225    HA   SER  29           HA       SER  29   7.502  -6.072  10.449
  226    HG   SER  29           HG       SER  29  11.276  -4.922   9.566
  227    HB2  SER  29           2HB      SER  29   9.264  -5.664   8.725
  228    HB3  SER  29           3HB      SER  29   9.117  -4.443   9.986
  229    H    ALA  30           H        ALA  30   7.078  -7.564   8.870
  230    HA   ALA  30           HA       ALA  30   8.841  -9.774   8.277
  231    HB1  ALA  30           3HB      ALA  30   7.678 -10.767  10.180
  232    HB2  ALA  30           1HB      ALA  30   6.097 -10.335   9.472
  233    HB3  ALA  30           2HB      ALA  30   7.155 -11.518   8.657
  234    HA   PRO  31           HA       PRO  31   6.093  -7.250   5.452
  235    HB2  PRO  31           2HB      PRO  31   8.402  -7.084   3.604
  236    HB3  PRO  31           3HB      PRO  31   7.434  -5.773   4.330
  237    HG2  PRO  31           2HG      PRO  31  10.007  -6.312   5.132
  238    HG3  PRO  31           3HG      PRO  31   8.747  -5.662   6.225
  239    HD2  PRO  31           2HD      PRO  31   9.688  -8.531   5.981
  240    HD3  PRO  31           3HD      PRO  31   9.320  -7.591   7.432
  241    H    ARG  32           H        ARG  32   4.839  -8.031   3.826
  242    HA   ARG  32           HA       ARG  32   3.746  -9.646   2.745
  243    HE   ARG  32           HE       ARG  32   4.717 -12.219  -1.591
  244    HB2  ARG  32           2HB      ARG  32   5.641  -8.680   1.118
  245    HB3  ARG  32           3HB      ARG  32   6.204 -10.353   1.161
  246    HG2  ARG  32           2HG      ARG  32   3.745 -10.988   0.539
  247    HG3  ARG  32           3HG      ARG  32   3.494  -9.259   0.307
  248    HD2  ARG  32           2HD      ARG  32   3.928 -10.040  -1.844
  249    HD3  ARG  32           3HD      ARG  32   5.470  -9.344  -1.362
  250   HH11  ARG  32          1HH2      ARG  32   7.351  -9.882  -1.102
  251   HH12  ARG  32          2HH2      ARG  32   8.602 -11.053  -1.295
  252   HH21  ARG  32          1HH1      ARG  32   6.370 -13.757  -1.858
  253   HH22  ARG  32          2HH1      ARG  32   8.027 -13.306  -1.744
  254    H    SER  33           H        SER  33   5.092 -10.610   5.218
  255    HA   SER  33           HA       SER  33   5.527 -12.452   6.362
  256    HG   SER  33           HG       SER  33   2.116 -13.342   5.633
  257    HB2  SER  33           2HB      SER  33   3.873 -13.932   4.289
  258    HB3  SER  33           3HB      SER  33   4.137 -14.380   5.980
  259    H    GLY  34           H        GLY  34   7.509 -11.780   4.149
  260    HA2  GLY  34           2HA      GLY  34   9.150 -14.110   4.498
  261    HA3  GLY  34           3HA      GLY  34   8.406 -14.142   2.899
  262    H    ALA  35           H        ALA  35   8.920 -10.842   3.527
  263    HA   ALA  35           HA       ALA  35  11.195 -10.678   1.794
  264    HB1  ALA  35           3HB      ALA  35   9.541  -8.845   2.100
  265    HB2  ALA  35           1HB      ALA  35  10.096  -8.653   3.782
  266    HB3  ALA  35           2HB      ALA  35  11.193  -8.293   2.442
  267    HA   PRO  36           HA       PRO  36  14.392 -11.404   4.810
  268    HB2  PRO  36           2HB      PRO  36  16.608 -10.366   3.624
  269    HB3  PRO  36           3HB      PRO  36  15.680 -11.702   2.894
  270    HG2  PRO  36           2HG      PRO  36  15.423  -8.737   2.269
  271    HG3  PRO  36           3HG      PRO  36  15.678 -10.089   1.117
  272    HD2  PRO  36           2HD      PRO  36  13.195  -9.100   1.663
  273    HD3  PRO  36           3HD      PRO  36  13.463 -10.841   1.360
  274    H    ALA  37           H        ALA  37  12.837  -9.662   6.014
  275    HA   ALA  37           HA       ALA  37  14.692  -7.798   7.344
  276    HB1  ALA  37           3HB      ALA  37  13.538  -6.377   5.680
  277    HB2  ALA  37           1HB      ALA  37  11.964  -6.971   6.255
  278    HB3  ALA  37           2HB      ALA  37  12.990  -5.993   7.326
  279    H    ALA  38           H        ALA  38  14.337  -7.794   9.503
  280    HA   ALA  38           HA       ALA  38  11.892  -8.859  10.718
  281    HB1  ALA  38           3HB      ALA  38  13.239 -10.887  10.202
  282    HB2  ALA  38           1HB      ALA  38  14.617 -10.193  11.090
  283    HB3  ALA  38           2HB      ALA  38  13.116 -10.615  11.946
  284    H    GLU  39           H        GLU  39  13.012  -6.256  10.665
  285    HA   GLU  39           HA       GLU  39  14.533  -5.740  13.131
  286    HB2  GLU  39           2HB      GLU  39  13.211  -3.890  11.091
  287    HB3  GLU  39           3HB      GLU  39  14.137  -3.357  12.501
  288    HG2  GLU  39           2HG      GLU  39  16.122  -4.637  11.639
  289    HG3  GLU  39           3HG      GLU  39  15.214  -5.002  10.171
  290    H    SER  40           H        SER  40  13.443  -4.004  14.651
  291    HA   SER  40           HA       SER  40  10.540  -4.330  14.878
  292    HG   SER  40           HG       SER  40  12.500  -6.653  15.644
  293    HB2  SER  40           2HB      SER  40  12.357  -4.996  17.199
  294    HB3  SER  40           3HB      SER  40  10.603  -5.156  17.153
  295    H    LYS  41           H        LYS  41   9.638  -2.869  16.508
  296    HA   LYS  41           HA       LYS  41  11.352  -0.929  17.800
  297    HB2  LYS  41           2HB      LYS  41  10.445   1.076  16.950
  298    HB3  LYS  41           3HB      LYS  41  10.970   0.154  15.551
  299    HG2  LYS  41           2HG      LYS  41   8.618  -0.459  15.054
  300    HG3  LYS  41           3HG      LYS  41   8.077   0.390  16.515
  301    HD2  LYS  41           2HD      LYS  41   9.084   2.510  15.591
  302    HD3  LYS  41           3HD      LYS  41   9.408   1.643  14.079
  303    HE2  LYS  41           2HE      LYS  41   6.935   1.154  13.901
  304    HE3  LYS  41           3HE      LYS  41   6.686   2.090  15.386
  305    HZ1  LYS  41           3HZ      LYS  41   7.631   4.024  14.184
  306    HZ2  LYS  41           1HZ      LYS  41   7.667   3.114  12.797
  307    HZ3  LYS  41           2HZ      LYS  41   6.254   3.470  13.464
  308    H    GLU  42           H        GLU  42   9.716   0.619  19.127
  309    HA   GLU  42           HA       GLU  42   7.437  -1.071  20.075
  310    HB2  GLU  42           2HB      GLU  42   9.006   1.094  21.536
  311    HB3  GLU  42           3HB      GLU  42   7.504   0.368  22.090
  312    HG2  GLU  42           2HG      GLU  42   9.179  -0.744  23.280
  313    HG3  GLU  42           3HG      GLU  42   8.596  -1.880  22.066
  314    H    ILE  43           H        ILE  43   5.429  -0.063  20.289
  315    HA   ILE  43           HA       ILE  43   5.120   2.696  19.257
  316    HB   ILE  43           HB       ILE  43   3.056   1.908  18.070
  317   HG12  ILE  43          2HG1      ILE  43   4.231  -0.894  18.275
  318   HG13  ILE  43          3HG1      ILE  43   2.870  -0.321  19.241
  319   HG21  ILE  43          1HG2      ILE  43   5.632   0.722  16.978
  320   HG22  ILE  43          2HG2      ILE  43   4.225   1.287  16.046
  321   HG23  ILE  43          3HG2      ILE  43   5.212   2.445  16.946
  322   HD11  ILE  43          3HD1      ILE  43   1.558   0.067  17.184
  323   HD12  ILE  43          1HD1      ILE  43   2.899  -0.586  16.210
  324   HD13  ILE  43          2HD1      ILE  43   2.061  -1.619  17.379
  325    H    VAL  44           H        VAL  44   3.337   3.798  20.066
  326    HA   VAL  44           HA       VAL  44   2.169   2.680  22.588
  327    HB   VAL  44           HB       VAL  44   2.470   5.548  21.610
  328   HG11  VAL  44          1HG1      VAL  44   1.749   4.548  24.395
  329   HG12  VAL  44          2HG1      VAL  44   1.920   6.233  23.899
  330   HG13  VAL  44          3HG1      VAL  44   0.598   5.262  23.244
  331   HG21  VAL  44          3HG2      VAL  44   4.119   4.073  23.707
  332   HG22  VAL  44          1HG2      VAL  44   4.700   4.617  22.117
  333   HG23  VAL  44          2HG2      VAL  44   4.224   5.809  23.326
  334    H    ARG  45           H        ARG  45  -0.008   2.232  22.551
  335    HA   ARG  45           HA       ARG  45  -1.739   3.384  20.396
  336    HE   ARG  45           HE       ARG  45  -0.376   3.298  18.778
  337    HB2  ARG  45           2HB      ARG  45  -1.636   0.508  21.421
  338    HB3  ARG  45           3HB      ARG  45  -2.800   1.126  20.264
  339    HG2  ARG  45           2HG      ARG  45   0.208   0.915  19.737
  340    HG3  ARG  45           3HG      ARG  45  -0.971  -0.297  19.329
  341    HD2  ARG  45           2HD      ARG  45  -0.836   0.737  17.320
  342    HD3  ARG  45           3HD      ARG  45  -2.190   1.639  18.009
  343   HH11  ARG  45          1HH2      ARG  45  -0.134   1.669  15.602
  344   HH12  ARG  45          2HH2      ARG  45   1.293   2.570  15.176
  345   HH21  ARG  45          1HH1      ARG  45   1.470   4.297  18.231
  346   HH22  ARG  45          2HH1      ARG  45   2.161   4.115  16.627
  347    H    GLY  46           H        GLY  46  -3.800   4.016  21.240
  348    HA2  GLY  46           2HA      GLY  46  -4.795   2.960  23.754
  349    HA3  GLY  46           3HA      GLY  46  -4.059   4.554  23.938
  350    H    TYR  47           H        TYR  47  -6.944   2.947  23.262
  351    HA   TYR  47           HA       TYR  47  -8.139   5.420  22.114
  352    HD1  TYR  47           HD2      TYR  47  -7.671   5.580  19.126
  353    HD2  TYR  47           HD1      TYR  47  -6.709   1.621  20.523
  354    HE1  TYR  47           HE2      TYR  47  -5.856   5.432  17.444
  355    HE2  TYR  47           HE1      TYR  47  -4.914   1.442  18.829
  356    HH   TYR  47           HH       TYR  47  -3.897   2.458  16.989
  357    HB2  TYR  47           2HB      TYR  47  -8.782   2.637  21.126
  358    HB3  TYR  47           3HB      TYR  47  -9.301   4.180  20.459
  359    H    LYS  48           H        LYS  48 -10.035   5.922  23.093
  360    HA   LYS  48           HA       LYS  48 -10.679   4.506  25.454
  361    HB2  LYS  48           2HB      LYS  48 -12.186   6.250  25.927
  362    HB3  LYS  48           3HB      LYS  48 -10.843   6.977  25.052
  363    HG2  LYS  48           2HG      LYS  48 -12.324   6.805  22.935
  364    HG3  LYS  48           3HG      LYS  48 -13.651   6.393  24.039
  365    HD2  LYS  48           2HD      LYS  48 -13.124   8.545  25.309
  366    HD3  LYS  48           3HD      LYS  48 -11.991   8.949  24.001
  367    HE2  LYS  48           2HE      LYS  48 -13.913   8.700  22.369
  368    HE3  LYS  48           3HE      LYS  48 -14.993   8.461  23.746
  369    HZ1  LYS  48           3HZ      LYS  48 -14.359  10.696  24.514
  370    HZ2  LYS  48           1HZ      LYS  48 -13.431  10.909  23.176
  371    HZ3  LYS  48           2HZ      LYS  48 -15.044  10.740  23.037
  372    H    TRP  49           H        TRP  49 -11.863   3.823  22.267
  373    HA   TRP  49           HA       TRP  49 -14.420   2.780  23.082
  374    HD1  TRP  49           HD1      TRP  49 -12.603   4.243  19.245
  375    HE1  TRP  49           HE1      TRP  49 -10.447   3.537  18.066
  376    HE3  TRP  49           HE3      TRP  49 -12.034  -0.462  21.246
  377    HZ2  TRP  49           HZ2      TRP  49  -8.562   1.398  18.215
  378    HZ3  TRP  49           HZ3      TRP  49  -9.960  -1.734  20.831
  379    HH2  TRP  49           HH2      TRP  49  -8.180  -0.786  19.374
  380    HB2  TRP  49           2HB      TRP  49 -14.294   1.507  20.911
  381    HB3  TRP  49           3HB      TRP  49 -14.261   3.251  20.827
  382    H    ALA  50           H        ALA  50 -11.136   1.524  23.450
  383    HA   ALA  50           HA       ALA  50 -11.847  -1.244  23.530
  384    HB1  ALA  50           3HB      ALA  50  -9.556  -0.490  23.142
  385    HB2  ALA  50           1HB      ALA  50  -9.494   0.257  24.758
  386    HB3  ALA  50           2HB      ALA  50  -9.637  -1.505  24.593
  387    H    GLU  51           H        GLU  51 -12.878  -2.350  25.082
  388    HA   GLU  51           HA       GLU  51 -13.608  -1.176  27.627
  389    HB2  GLU  51           2HB      GLU  51 -13.730  -4.062  26.643
  390    HB3  GLU  51           3HB      GLU  51 -14.406  -3.473  28.170
  391    HG2  GLU  51           2HG      GLU  51 -15.810  -1.837  26.848
  392    HG3  GLU  51           3HG      GLU  51 -15.255  -2.624  25.370
  393    H    TYR  52           H        TYR  52 -11.052  -3.372  26.512
  394    HA   TYR  52           HA       TYR  52  -9.606  -3.105  29.078
  395    HD1  TYR  52           HD1      TYR  52 -10.814  -3.955  30.896
  396    HD2  TYR  52           HD2      TYR  52 -11.792  -7.191  28.214
  397    HE1  TYR  52           HE1      TYR  52 -12.734  -4.546  32.325
  398    HE2  TYR  52           HE2      TYR  52 -13.703  -7.810  29.656
  399    HH   TYR  52           HH       TYR  52 -14.532  -5.998  32.651
  400    HB2  TYR  52           2HB      TYR  52 -10.055  -5.744  27.633
  401    HB3  TYR  52           3HB      TYR  52  -9.088  -5.506  29.076
  402    H    HIS  53           H        HIS  53  -7.310  -3.664  28.805
  403    HA   HIS  53           HA       HIS  53  -6.095  -2.485  26.595
  404    HD2  HIS  53           HD2      HIS  53  -4.100  -0.899  28.597
  405    HE1  HIS  53           HE1      HIS  53  -5.864  -1.978  32.309
  406    HE2  HIS  53           HE2      HIS  53  -4.638  -0.128  31.020
  407    HB2  HIS  53           2HB      HIS  53  -4.871  -4.645  28.362
  408    HB3  HIS  53           3HB      HIS  53  -4.032  -3.350  27.511
  409    H    ALA  54           H        ALA  54  -6.997  -5.879  27.086
  410    HA   ALA  54           HA       ALA  54  -5.547  -7.081  24.993
  411    HB1  ALA  54           3HB      ALA  54  -6.703  -8.331  26.775
  412    HB2  ALA  54           1HB      ALA  54  -8.281  -7.818  26.122
  413    HB3  ALA  54           2HB      ALA  54  -7.220  -8.875  25.168
  414    H    ASP  55           H        ASP  55  -8.540  -5.117  24.835
  415    HA   ASP  55           HA       ASP  55  -9.293  -6.107  22.222
  416    HB2  ASP  55           2HB      ASP  55 -10.812  -4.940  23.944
  417    HB3  ASP  55           3HB      ASP  55 -10.054  -3.438  23.452
  418    H    ILE  56           H        ILE  56  -7.300  -3.430  23.449
  419    HA   ILE  56           HA       ILE  56  -6.887  -2.146  20.896
  420    HB   ILE  56           HB       ILE  56  -4.998  -2.120  23.291
  421   HG12  ILE  56          2HG1      ILE  56  -7.248  -0.143  22.767
  422   HG13  ILE  56          3HG1      ILE  56  -7.311  -1.439  23.973
  423   HG21  ILE  56          1HG2      ILE  56  -5.412  -0.252  20.908
  424   HG22  ILE  56          2HG2      ILE  56  -4.338   0.115  22.268
  425   HG23  ILE  56          3HG2      ILE  56  -3.996  -1.264  21.234
  426   HD11  ILE  56          3HD1      ILE  56  -5.351  -0.483  25.142
  427   HD12  ILE  56          1HD1      ILE  56  -5.389   0.897  24.024
  428   HD13  ILE  56          2HD1      ILE  56  -6.759   0.597  25.097
  429    H    TYR  57           H        TYR  57  -5.008  -4.528  22.871
  430    HA   TYR  57           HA       TYR  57  -2.907  -4.867  21.040
  431    HD1  TYR  57           HD2      TYR  57  -0.815  -5.881  21.429
  432    HD2  TYR  57           HD1      TYR  57  -3.328  -9.020  22.991
  433    HE1  TYR  57           HE2      TYR  57   0.942  -7.536  20.909
  434    HE2  TYR  57           HE1      TYR  57  -1.563 -10.680  22.504
  435    HH   TYR  57           HH       TYR  57   0.591 -11.028  21.671
  436    HB2  TYR  57           2HB      TYR  57  -2.859  -5.645  23.349
  437    HB3  TYR  57           3HB      TYR  57  -4.124  -6.824  23.018
  438    H    ASP  58           H        ASP  58  -6.027  -6.688  21.238
  439    HA   ASP  58           HA       ASP  58  -5.491  -8.471  19.122
  440    HB2  ASP  58           2HB      ASP  58  -7.347  -8.792  20.666
  441    HB3  ASP  58           3HB      ASP  58  -8.141  -7.329  20.074
  442    H    LYS  59           H        LYS  59  -7.096  -5.222  19.001
  443    HA   LYS  59           HA       LYS  59  -7.590  -5.200  16.189
  444    HB2  LYS  59           2HB      LYS  59  -7.102  -3.059  18.290
  445    HB3  LYS  59           3HB      LYS  59  -7.124  -2.596  16.601
  446    HG2  LYS  59           2HG      LYS  59  -9.419  -4.033  17.974
  447    HG3  LYS  59           3HG      LYS  59  -9.256  -2.282  17.776
  448    HD2  LYS  59           2HD      LYS  59  -9.056  -2.715  15.245
  449    HD3  LYS  59           3HD      LYS  59  -9.668  -4.348  15.595
  450    HE2  LYS  59           2HE      LYS  59 -11.672  -3.353  16.679
  451    HE3  LYS  59           3HE      LYS  59 -11.030  -1.733  16.391
  452    HZ1  LYS  59           3HZ      LYS  59 -11.189  -2.167  14.003
  453    HZ2  LYS  59           1HZ      LYS  59 -11.825  -3.649  14.279
  454    HZ3  LYS  59           2HZ      LYS  59 -12.643  -2.311  14.718
  455    H    VAL  60           H        VAL  60  -4.729  -4.114  18.069
  456    HA   VAL  60           HA       VAL  60  -3.479  -3.026  15.777
  457    HB   VAL  60           HB       VAL  60  -2.462  -3.760  18.549
  458   HG11  VAL  60          1HG1      VAL  60  -1.040  -2.038  16.465
  459   HG12  VAL  60          2HG1      VAL  60  -0.532  -2.278  18.149
  460   HG13  VAL  60          3HG1      VAL  60  -0.502  -3.635  17.029
  461   HG21  VAL  60          3HG2      VAL  60  -3.001  -0.994  17.366
  462   HG22  VAL  60          1HG2      VAL  60  -4.259  -1.896  18.203
  463   HG23  VAL  60          2HG2      VAL  60  -2.804  -1.460  19.078
  464    H    SER  61           H        SER  61  -2.950  -6.213  17.502
  465    HA   SER  61           HA       SER  61  -0.963  -7.178  15.743
  466    HG   SER  61           HG       SER  61  -1.569  -8.851  18.820
  467    HB2  SER  61           2HB      SER  61  -3.149  -8.674  17.248
  468    HB3  SER  61           3HB      SER  61  -1.703  -9.413  16.529
  469    H    GLY  62           H        GLY  62  -4.538  -7.103  15.361
  470    HA2  GLY  62           2HA      GLY  62  -4.672  -8.713  12.997
  471    HA3  GLY  62           3HA      GLY  62  -5.832  -7.473  13.513
  472    H    ASP  63           H        ASP  63  -4.424  -5.125  13.470
  473    HA   ASP  63           HA       ASP  63  -4.423  -4.493  10.712
  474    HB2  ASP  63           2HB      ASP  63  -4.851  -2.853  12.543
  475    HB3  ASP  63           3HB      ASP  63  -3.139  -2.902  12.968
  476    H    MET  64           H        MET  64  -1.654  -5.008  12.986
  477    HA   MET  64           HA       MET  64   0.357  -4.374  11.118
  478    HB2  MET  64           2HB      MET  64   0.273  -5.940  13.698
  479    HB3  MET  64           3HB      MET  64   1.677  -6.109  12.658
  480    HG2  MET  64           2HG      MET  64   2.198  -4.356  14.131
  481    HG3  MET  64           3HG      MET  64   1.898  -3.611  12.567
  482    HE1  MET  64           3HE      MET  64   1.435  -1.121  13.354
  483    HE2  MET  64           1HE      MET  64   0.200  -1.697  12.199
  484    HE3  MET  64           2HE      MET  64  -0.283  -0.765  13.640
  485    H    GLN  65           H        GLN  65  -1.379  -7.486  11.651
  486    HA   GLN  65           HA       GLN  65   0.330  -8.955   9.862
  487    HB2  GLN  65           2HB      GLN  65  -2.485  -9.360  10.909
  488    HB3  GLN  65           3HB      GLN  65  -1.758 -10.465   9.739
  489    HG2  GLN  65           2HG      GLN  65   0.090 -10.985  11.211
  490    HG3  GLN  65           3HG      GLN  65  -0.392  -9.743  12.363
  491   HE21  GLN  65          2HE2      GLN  65  -2.393 -10.023  13.551
  492   HE22  GLN  65          1HE2      GLN  65  -3.037 -11.635  13.858
  493    H    LYS  66           H        LYS  66  -2.572  -6.895   9.300
  494    HA   LYS  66           HA       LYS  66  -2.698  -7.491   6.497
  495    HB2  LYS  66           2HB      LYS  66  -3.576  -4.934   7.900
  496    HB3  LYS  66           3HB      LYS  66  -3.965  -5.407   6.252
  497    HG2  LYS  66           2HG      LYS  66  -5.173  -7.413   7.113
  498    HG3  LYS  66           3HG      LYS  66  -4.849  -6.867   8.769
  499    HD2  LYS  66           2HD      LYS  66  -6.027  -4.707   8.250
  500    HD3  LYS  66           3HD      LYS  66  -6.430  -5.357   6.644
  501    HE2  LYS  66           2HE      LYS  66  -7.597  -7.272   7.752
  502    HE3  LYS  66           3HE      LYS  66  -7.234  -6.559   9.329
  503    HZ1  LYS  66           3HZ      LYS  66  -8.571  -4.626   8.675
  504    HZ2  LYS  66           1HZ      LYS  66  -8.919  -5.311   7.232
  505    HZ3  LYS  66           2HZ      LYS  66  -9.462  -5.988   8.609
  506    H    GLN  67           H        GLN  67  -0.677  -5.240   8.378
  507    HA   GLN  67           HA       GLN  67   0.285  -3.832   6.055
  508    HB2  GLN  67           2HB      GLN  67   1.720  -4.101   8.730
  509    HB3  GLN  67           3HB      GLN  67   2.042  -2.927   7.471
  510    HG2  GLN  67           2HG      GLN  67  -0.367  -3.055   9.293
  511    HG3  GLN  67           3HG      GLN  67   0.902  -1.860   9.296
  512   HE21  GLN  67          2HE2      GLN  67  -1.931  -1.341   9.152
  513   HE22  GLN  67          1HE2      GLN  67  -2.237  -0.537   7.615
  514    H    GLY  68           H        GLY  68   1.653  -6.368   8.107
  515    HA2  GLY  68           2HA      GLY  68   2.900  -8.232   6.849
  516    HA3  GLY  68           3HA      GLY  68   3.826  -6.898   6.128
  517    H    CYS  69           H        CYS  69   2.578  -7.368   9.492
  518    HA   CYS  69           HA       CYS  69   5.297  -7.453  10.615
  519    HG   CYS  69           HG       CYS  69   4.976  -3.472  10.912
  520    HB2  CYS  69           2HB      CYS  69   3.158  -5.344  11.185
  521    HB3  CYS  69           3HB      CYS  69   4.545  -5.643  12.242
  522    H    ASP  70           H        ASP  70   5.007  -7.747  13.080
  523    HA   ASP  70           HA       ASP  70   2.500  -9.077  13.913
  524    HB2  ASP  70           2HB      ASP  70   3.974 -10.895  13.101
  525    HB3  ASP  70           3HB      ASP  70   5.273 -10.315  14.151
  526    H    CYS  71           H        CYS  71   2.620  -9.361  16.414
  527    HA   CYS  71           HA       CYS  71   4.036  -7.004  17.590
  528    HG   CYS  71           HG       CYS  71   0.407  -5.486  16.837
  529    HB2  CYS  71           2HB      CYS  71   1.099  -7.784  17.754
  530    HB3  CYS  71           3HB      CYS  71   1.850  -6.560  18.774
  531    H    GLU  72           H        GLU  72   4.258  -7.006  19.870
  532    HA   GLU  72           HA       GLU  72   3.282  -9.262  21.472
  533    HB2  GLU  72           2HB      GLU  72   5.507 -10.002  20.810
  534    HB3  GLU  72           3HB      GLU  72   6.214  -8.430  21.219
  535    HG2  GLU  72           2HG      GLU  72   5.746  -8.748  23.567
  536    HG3  GLU  72           3HG      GLU  72   4.784 -10.193  23.240
  537    H    CYS  73           H        CYS  73   2.186  -8.201  23.100
  538    HA   CYS  73           HA       CYS  73   2.535  -5.402  23.713
  539    HG   CYS  73           HG       CYS  73  -0.240  -8.269  25.798
  540    HB2  CYS  73           2HB      CYS  73   1.141  -6.121  25.765
  541    HB3  CYS  73           3HB      CYS  73   0.394  -6.267  24.170
  542    H    LEU  74           H        LEU  74   3.956  -4.451  25.092
  543    HA   LEU  74           HA       LEU  74   5.826  -6.183  26.638
  544    HG   LEU  74           HG       LEU  74   6.465  -4.255  24.084
  545    HB2  LEU  74           2HB      LEU  74   5.810  -3.172  26.171
  546    HB3  LEU  74           3HB      LEU  74   7.027  -4.073  27.070
  547   HD11  LEU  74          1HD1      LEU  74   8.886  -3.299  25.680
  548   HD12  LEU  74          2HD1      LEU  74   8.784  -3.390  23.912
  549   HD13  LEU  74          3HD1      LEU  74   7.734  -2.273  24.799
  550   HD21  LEU  74          3HD2      LEU  74   8.423  -5.883  25.767
  551   HD22  LEU  74          1HD2      LEU  74   7.071  -6.505  24.789
  552   HD23  LEU  74          2HD2      LEU  74   8.463  -5.777  23.995
  553    H    GLY  75           H        GLY  75   3.025  -4.117  27.009
  554    HA2  GLY  75           2HA      GLY  75   2.145  -4.747  29.501
  555    HA3  GLY  75           3HA      GLY  75   3.411  -3.555  29.831
  556    H    GLY  76           H        GLY  76   1.027  -2.617  30.553
  557    HA2  GLY  76           2HA      GLY  76   0.637  -0.406  28.677
  558    HA3  GLY  76           3HA      GLY  76  -0.764  -1.451  28.833
  559    H    GLY  77           H        GLY  77  -1.765   0.514  29.700
  560    HA2  GLY  77           2HA      GLY  77  -1.965   0.718  32.508
  561    HA3  GLY  77           3HA      GLY  77  -0.819   1.948  31.938
  562    H    ARG  78           H        ARG  78  -2.055   3.777  32.104
  563    HA   ARG  78           HA       ARG  78  -4.338   4.068  30.235
  564    HE   ARG  78           HE       ARG  78  -4.897   4.309  34.851
  565    HB2  ARG  78           2HB      ARG  78  -4.305   4.901  33.161
  566    HB3  ARG  78           3HB      ARG  78  -5.508   5.455  31.999
  567    HG2  ARG  78           2HG      ARG  78  -6.412   3.235  31.705
  568    HG3  ARG  78           3HG      ARG  78  -5.130   2.505  32.684
  569    HD2  ARG  78           2HD      ARG  78  -7.226   4.462  33.699
  570    HD3  ARG  78           3HD      ARG  78  -7.224   2.706  33.931
  571   HH11  ARG  78          1HH2      ARG  78  -7.759   2.376  35.849
  572   HH12  ARG  78          2HH2      ARG  78  -7.190   2.311  37.509
  573   HH21  ARG  78          1HH1      ARG  78  -4.292   4.127  37.083
  574   HH22  ARG  78          2HH1      ARG  78  -5.363   3.235  38.148
  575    H    ILE  79           H        ILE  79  -4.692   6.304  29.729
  576    HA   ILE  79           HA       ILE  79  -2.508   8.195  30.398
  577    HB   ILE  79           HB       ILE  79  -3.807   7.734  27.686
  578   HG12  ILE  79          2HG1      ILE  79  -0.903   7.411  28.517
  579   HG13  ILE  79          3HG1      ILE  79  -2.031   6.110  28.187
  580   HG21  ILE  79          1HG2      ILE  79  -1.803   9.882  28.518
  581   HG22  ILE  79          2HG2      ILE  79  -2.353   9.597  26.854
  582   HG23  ILE  79          3HG2      ILE  79  -3.497  10.152  28.046
  583   HD11  ILE  79          3HD1      ILE  79  -2.229   6.921  25.819
  584   HD12  ILE  79          1HD1      ILE  79  -0.911   8.073  26.163
  585   HD13  ILE  79          2HD1      ILE  79  -0.617   6.339  26.285
  586    H    SER  80           H        SER  80  -3.353  10.323  30.652
  587    HA   SER  80           HA       SER  80  -6.311  10.614  30.514
  588    HG   SER  80           HG       SER  80  -5.494  10.186  34.025
  589    HB2  SER  80           2HB      SER  80  -4.571  11.768  32.711
  590    HB3  SER  80           3HB      SER  80  -6.345  11.795  32.581
  591    H    HIS  81           H        HIS  81  -6.716  12.108  29.002
  592    HA   HIS  81           HA       HIS  81  -4.768  14.257  28.400
  593    HD1  HIS  81           HD1      HIS  81  -4.364  15.541  25.955
  594    HD2  HIS  81           HD2      HIS  81  -8.472  16.118  26.615
  595    HE1  HIS  81           HE1      HIS  81  -4.917  17.847  25.054
  596    HB2  HIS  81           2HB      HIS  81  -6.056  13.295  26.541
  597    HB3  HIS  81           3HB      HIS  81  -7.574  13.766  27.316
  598    H    GLN  82           H        GLN  82  -4.628  15.480  30.141
  599    HA   GLN  82           HA       GLN  82  -5.880  15.768  32.298
  600    HB2  GLN  82           2HB      GLN  82  -4.648  17.555  32.783
  601    HB3  GLN  82           3HB      GLN  82  -3.868  17.055  31.313
  602    HG2  GLN  82           2HG      GLN  82  -5.664  19.456  31.718
  603    HG3  GLN  82           3HG      GLN  82  -3.940  19.430  31.399
  604   HE21  GLN  82          2HE2      GLN  82  -3.925  17.587  29.097
  605   HE22  GLN  82          1HE2      GLN  82  -4.740  18.438  27.804
  606    H    SER  83           H        SER  83  -7.164  17.833  29.662
  607    HA   SER  83           HA       SER  83  -8.940  19.201  29.553
  608    HG   SER  83           HG       SER  83  -9.005  16.062  29.264
  609    HB2  SER  83           2HB      SER  83 -10.363  16.851  30.840
  610    HB3  SER  83           3HB      SER  83 -11.024  18.022  29.676
  611    H    GLN  84           H        GLN  84  -7.466  19.603  32.102
  612    HA   GLN  84           HA       GLN  84  -9.383  21.117  33.644
  613    HB2  GLN  84           2HB      GLN  84 -10.022  18.931  34.462
  614    HB3  GLN  84           3HB      GLN  84  -8.344  18.448  34.698
  615    HG2  GLN  84           2HG      GLN  84  -8.085  19.953  36.560
  616    HG3  GLN  84           3HG      GLN  84  -9.622  20.751  36.209
  617   HE21  GLN  84          1HE2      GLN  84  -8.707  17.225  36.509
  618   HE22  GLN  84          2HE2      GLN  84  -9.896  16.882  37.739
  619    H    ASP  85           H        ASP  85  -6.197  19.335  34.020
  620    HA   ASP  85           HA       ASP  85  -4.969  21.946  34.768
  621    HB2  ASP  85           2HB      ASP  85  -5.773  20.895  36.796
  622    HB3  ASP  85           3HB      ASP  85  -4.947  19.387  36.391
  623    H    LYS  86           H        LYS  86  -3.460  22.245  33.366
  624    HA   LYS  86           HA       LYS  86  -1.496  22.308  32.510
  625    HB2  LYS  86           2HB      LYS  86  -1.106  21.078  34.984
  626    HB3  LYS  86           3HB      LYS  86  -0.123  20.122  33.935
  627    HG2  LYS  86           2HG      LYS  86   1.427  21.743  33.655
  628    HG3  LYS  86           3HG      LYS  86   0.251  23.015  33.391
  629    HD2  LYS  86           2HD      LYS  86   1.146  21.921  36.080
  630    HD3  LYS  86           3HD      LYS  86   1.579  23.480  35.387
  631    HE2  LYS  86           2HE      LYS  86  -1.214  22.608  36.262
  632    HE3  LYS  86           3HE      LYS  86  -0.146  23.686  37.147
  633    HZ1  LYS  86           3HZ      LYS  86  -1.299  24.281  34.480
  634    HZ2  LYS  86           1HZ      LYS  86  -1.818  24.885  35.898
  635    HZ3  LYS  86           2HZ      LYS  86  -0.337  25.283  35.346
  636    H    LYS  87           H        LYS  87  -1.405  18.634  32.650
  637    HA   LYS  87           HA       LYS  87  -1.114  18.683  29.716
  638    HB2  LYS  87           2HB      LYS  87   1.237  17.612  29.939
  639    HB3  LYS  87           3HB      LYS  87   1.069  19.343  30.051
  640    HG2  LYS  87           2HG      LYS  87   2.688  18.366  31.641
  641    HG3  LYS  87           3HG      LYS  87   1.460  19.365  32.391
  642    HD2  LYS  87           2HD      LYS  87   0.250  17.287  33.115
  643    HD3  LYS  87           3HD      LYS  87   1.539  16.307  32.407
  644    HE2  LYS  87           2HE      LYS  87   1.889  18.413  34.598
  645    HE3  LYS  87           3HE      LYS  87   1.644  16.694  34.904
  646    HZ1  LYS  87           3HZ      LYS  87   3.683  16.219  33.731
  647    HZ2  LYS  87           1HZ      LYS  87   3.952  17.826  33.437
  648    HZ3  LYS  87           2HZ      LYS  87   3.971  17.255  34.964
  649    H    ILE  88           H        ILE  88  -0.374  16.567  28.807
  650    HA   ILE  88           HA       ILE  88  -2.078  14.417  29.542
  651    HB   ILE  88           HB       ILE  88   0.523  14.338  27.944
  652   HG12  ILE  88          2HG1      ILE  88  -2.309  14.812  26.915
  653   HG13  ILE  88          3HG1      ILE  88  -1.030  16.023  26.994
  654   HG21  ILE  88          1HG2      ILE  88  -1.886  12.456  27.863
  655   HG22  ILE  88          2HG2      ILE  88  -0.411  12.309  26.884
  656   HG23  ILE  88          3HG2      ILE  88  -0.318  12.081  28.612
  657   HD11  ILE  88          3HD1      ILE  88   0.349  14.615  25.419
  658   HD12  ILE  88          1HD1      ILE  88  -1.091  13.593  25.179
  659   HD13  ILE  88          2HD1      ILE  88  -1.138  15.301  24.737
  660    H    HIS  89           H        HIS  89  -1.742  12.642  30.868
  661    HA   HIS  89           HA       HIS  89   0.919  12.240  32.082
  662    HD1  HIS  89           HD1      HIS  89   2.112  13.018  34.463
  663    HD2  HIS  89           HD2      HIS  89  -1.143  10.607  35.634
  664    HE1  HIS  89           HE1      HIS  89   2.886  11.686  36.505
  665    HB2  HIS  89           2HB      HIS  89  -0.529  13.672  33.601
  666    HB3  HIS  89           3HB      HIS  89  -1.652  12.314  33.705
  667    H    VAL  90           H        VAL  90   1.144  10.047  32.944
  668    HA   VAL  90           HA       VAL  90  -0.707   8.051  31.729
  669    HB   VAL  90           HB       VAL  90   2.333   8.074  31.545
  670   HG11  VAL  90          1HG1      VAL  90   0.284   6.344  30.109
  671   HG12  VAL  90          2HG1      VAL  90   2.049   6.267  29.923
  672   HG13  VAL  90          3HG1      VAL  90   1.296   5.839  31.467
  673   HG21  VAL  90          3HG2      VAL  90   0.299   8.988  29.484
  674   HG22  VAL  90          1HG2      VAL  90   1.687   9.878  30.127
  675   HG23  VAL  90          2HG2      VAL  90   1.952   8.497  29.061
  676    H    TYR  91           H        TYR  91  -0.971   6.149  33.025
  677    HA   TYR  91           HA       TYR  91   0.711   5.663  35.328
  678    HD1  TYR  91           HD1      TYR  91  -2.680   7.445  33.983
  679    HD2  TYR  91           HD2      TYR  91  -2.756   6.187  38.119
  680    HE1  TYR  91           HE1      TYR  91  -5.127   7.573  33.967
  681    HE2  TYR  91           HE2      TYR  91  -5.222   6.384  38.122
  682    HH   TYR  91           HH       TYR  91  -7.082   7.387  35.223
  683    HB2  TYR  91           2HB      TYR  91  -0.704   6.344  37.063
  684    HB3  TYR  91           3HB      TYR  91  -0.622   7.725  36.010
  685    H    GLY  92           H        GLY  92  -0.658   4.087  36.919
  686    HA2  GLY  92           2HA      GLY  92  -1.993   2.214  37.202
  687    HA3  GLY  92           3HA      GLY  92  -2.658   2.441  35.581
  688    H    TYR  93           H        TYR  93  -2.428   0.063  35.471
  689    HA   TYR  93           HA       TYR  93  -0.090  -0.556  33.938
  690    HD1  TYR  93           HD1      TYR  93  -1.440  -4.174  35.816
  691    HD2  TYR  93           HD2      TYR  93  -0.069  -0.834  38.176
  692    HE1  TYR  93           HE1      TYR  93  -2.500  -5.167  37.810
  693    HE2  TYR  93           HE2      TYR  93  -1.097  -1.840  40.196
  694    HH   TYR  93           HH       TYR  93  -2.878  -4.965  40.103
  695    HB2  TYR  93           2HB      TYR  93   0.409  -2.688  35.079
  696    HB3  TYR  93           3HB      TYR  93   0.855  -1.269  35.990
  697    H    SER  94           H        SER  94  -0.530  -3.013  33.031
  698    HA   SER  94           HA       SER  94  -3.470  -3.280  32.557
  699    HG   SER  94           HG       SER  94  -2.016  -3.206  29.412
  700    HB2  SER  94           2HB      SER  94  -1.114  -4.578  31.131
  701    HB3  SER  94           3HB      SER  94  -2.833  -4.765  30.729
  702    H    MET  95           H        MET  95  -4.482  -4.832  33.784
  703    HA   MET  95           HA       MET  95  -3.140  -6.776  35.402
  704    HB2  MET  95           2HB      MET  95  -5.945  -6.683  34.206
  705    HB3  MET  95           3HB      MET  95  -5.403  -7.949  35.312
  706    HG2  MET  95           2HG      MET  95  -4.986  -6.338  37.076
  707    HG3  MET  95           3HG      MET  95  -5.386  -4.991  36.006
  708    HE1  MET  95           3HE      MET  95  -6.706  -5.658  38.992
  709    HE2  MET  95           1HE      MET  95  -6.912  -4.178  38.031
  710    HE3  MET  95           2HE      MET  95  -8.337  -5.056  38.626
  711    H    ALA  96           H        ALA  96  -4.080  -6.744  31.987
  712    HA   ALA  96           HA       ALA  96  -3.982  -9.498  31.469
  713    HB1  ALA  96           3HB      ALA  96  -5.025  -7.817  29.989
  714    HB2  ALA  96           1HB      ALA  96  -3.416  -7.162  29.591
  715    HB3  ALA  96           2HB      ALA  96  -3.853  -8.814  29.112
  716    H    TYR  97           H        TYR  97  -1.241  -7.191  31.702
  717    HA   TYR  97           HA       TYR  97   0.601  -9.417  31.012
  718    HD1  TYR  97           HD2      TYR  97  -0.570  -9.548  28.181
  719    HD2  TYR  97           HD1      TYR  97  -0.142  -5.319  28.924
  720    HE1  TYR  97           HE2      TYR  97  -2.370  -9.076  26.538
  721    HE2  TYR  97           HE1      TYR  97  -1.920  -4.842  27.281
  722    HH   TYR  97           HH       TYR  97  -3.418  -5.734  25.750
  723    HB2  TYR  97           2HB      TYR  97   1.422  -6.835  29.837
  724    HB3  TYR  97           3HB      TYR  97   1.575  -8.454  29.228
  725    H    GLY  98           H        GLY  98   0.606  -5.881  31.892
  726    HA2  GLY  98           2HA      GLY  98   1.523  -5.958  34.440
  727    HA3  GLY  98           3HA      GLY  98   3.004  -6.148  33.476
  728    HA   PRO  99           HA       PRO  99   1.948  -1.560  33.565
  729    HB2  PRO  99           2HB      PRO  99   4.677  -1.195  34.588
  730    HB3  PRO  99           3HB      PRO  99   3.145  -0.604  35.272
  731    HG2  PRO  99           2HG      PRO  99   4.722  -2.644  36.382
  732    HG3  PRO  99           3HG      PRO  99   2.985  -2.393  36.710
  733    HD2  PRO  99           2HD      PRO  99   4.292  -4.400  34.923
  734    HD3  PRO  99           3HD      PRO  99   2.757  -4.506  35.835
  735    H    ALA 100           H        ALA 100   2.550  -0.435  31.735
  736    HA   ALA 100           HA       ALA 100   4.521  -1.508  29.871
  737    HB1  ALA 100           3HB      ALA 100   2.759  -0.150  28.931
  738    HB2  ALA 100           1HB      ALA 100   3.046   1.151  30.108
  739    HB3  ALA 100           2HB      ALA 100   4.222   0.821  28.824
  740    H    GLN 101           H        GLN 101   6.497  -0.291  29.294
  741    HA   GLN 101           HA       GLN 101   7.921   0.832  31.583
  742    HB2  GLN 101           2HB      GLN 101   8.723   0.302  28.691
  743    HB3  GLN 101           3HB      GLN 101   9.782   1.044  29.906
  744    HG2  GLN 101           2HG      GLN 101   9.560  -0.978  31.341
  745    HG3  GLN 101           3HG      GLN 101   8.502  -1.719  30.144
  746   HE21  GLN 101          2HE2      GLN 101   9.633  -3.359  29.145
  747   HE22  GLN 101          1HE2      GLN 101  11.277  -3.235  28.575
  748    H    HIS 102           H        HIS 102   6.115   2.413  31.766
  749    HA   HIS 102           HA       HIS 102   5.134   4.074  29.881
  750    HD1  HIS 102           HD1      HIS 102   4.747   2.885  34.192
  751    HD2  HIS 102           HD2      HIS 102   2.367   3.975  30.896
  752    HE1  HIS 102           HE1      HIS 102   2.589   1.554  34.381
  753    HB2  HIS 102           2HB      HIS 102   5.692   4.884  32.756
  754    HB3  HIS 102           3HB      HIS 102   4.521   5.634  31.676
  755    H    ALA 103           H        ALA 103   8.306   4.596  31.440
  756    HA   ALA 103           HA       ALA 103   8.726   7.273  30.662
  757    HB1  ALA 103           3HB      ALA 103  10.219   6.015  32.195
  758    HB2  ALA 103           1HB      ALA 103  10.754   4.996  30.838
  759    HB3  ALA 103           2HB      ALA 103  11.123   6.732  30.847
  760    H    ILE 104           H        ILE 104   9.027   4.255  28.752
  761    HA   ILE 104           HA       ILE 104  10.283   5.481  26.450
  762    HB   ILE 104           HB       ILE 104   8.589   2.946  26.684
  763   HG12  ILE 104          2HG1      ILE 104  11.614   3.358  26.777
  764   HG13  ILE 104          3HG1      ILE 104  10.585   2.813  28.103
  765   HG21  ILE 104          1HG2      ILE 104  10.458   3.818  24.441
  766   HG22  ILE 104          2HG2      ILE 104   9.540   2.294  24.521
  767   HG23  ILE 104          3HG2      ILE 104   8.682   3.812  24.371
  768   HD11  ILE 104          3HD1      ILE 104  10.017   0.758  26.745
  769   HD12  ILE 104          1HD1      ILE 104  11.271   1.262  25.584
  770   HD13  ILE 104          2HD1      ILE 104  11.713   0.898  27.254
  771    H    SER 105           H        SER 105   6.878   4.589  27.334
  772    HA   SER 105           HA       SER 105   5.676   5.594  25.053
  773    HG   SER 105           HG       SER 105   4.912   3.448  26.062
  774    HB2  SER 105           2HB      SER 105   4.436   5.636  27.826
  775    HB3  SER 105           3HB      SER 105   3.626   5.412  26.266
  776    H    THR 106           H        THR 106   6.349   7.434  28.148
  777    HA   THR 106           HA       THR 106   4.990   9.758  27.217
  778    HB   THR 106           HB       THR 106   6.307  10.889  29.071
  779    HG1  THR 106           1HG      THR 106   8.108   9.663  29.379
  780   HG21  THR 106          3HG2      THR 106   4.059   9.709  29.372
  781   HG22  THR 106          1HG2      THR 106   4.962   8.317  29.982
  782   HG23  THR 106          2HG2      THR 106   5.063   9.881  30.813
  783    H    GLU 107           H        GLU 107   8.459   8.765  26.970
  784    HA   GLU 107           HA       GLU 107   9.291  11.224  25.818
  785    HB2  GLU 107           2HB      GLU 107  10.384   8.398  25.666
  786    HB3  GLU 107           3HB      GLU 107  11.183   9.770  24.893
  787    HG2  GLU 107           2HG      GLU 107  10.570   9.697  27.881
  788    HG3  GLU 107           3HG      GLU 107  12.082   9.128  27.180
  789    H    LYS 108           H        LYS 108   8.012   8.218  24.389
  790    HA   LYS 108           HA       LYS 108   8.322   9.022  21.651
  791    HB2  LYS 108           2HB      LYS 108   6.571   7.022  23.104
  792    HB3  LYS 108           3HB      LYS 108   6.332   7.347  21.375
  793    HG2  LYS 108           2HG      LYS 108   8.679   6.797  20.912
  794    HG3  LYS 108           3HG      LYS 108   8.956   6.443  22.622
  795    HD2  LYS 108           2HD      LYS 108   7.395   4.590  22.575
  796    HD3  LYS 108           3HD      LYS 108   6.866   4.978  20.931
  797    HE2  LYS 108           2HE      LYS 108   9.794   4.444  21.515
  798    HE3  LYS 108           3HE      LYS 108   8.674   3.090  21.318
  799    HZ1  LYS 108           3HZ      LYS 108   8.334   3.566  19.131
  800    HZ2  LYS 108           1HZ      LYS 108   8.643   5.150  19.241
  801    HZ3  LYS 108           2HZ      LYS 108   9.892   4.061  19.252
  802    H    ILE 109           H        ILE 109   5.494   9.381  23.893
  803    HA   ILE 109           HA       ILE 109   3.863  10.790  22.030
  804    HB   ILE 109           HB       ILE 109   3.973  10.945  25.067
  805   HG12  ILE 109          2HG1      ILE 109   1.871   9.485  23.414
  806   HG13  ILE 109          3HG1      ILE 109   3.358   8.679  23.850
  807   HG21  ILE 109          1HG2      ILE 109   1.713  11.848  23.210
  808   HG22  ILE 109          2HG2      ILE 109   1.685  11.880  24.983
  809   HG23  ILE 109          3HG2      ILE 109   2.781  12.938  24.109
  810   HD11  ILE 109          3HD1      ILE 109   2.871   9.094  26.270
  811   HD12  ILE 109          1HD1      ILE 109   1.311   9.811  25.804
  812   HD13  ILE 109          2HD1      ILE 109   1.644   8.109  25.457
  813    H    LYS 110           H        LYS 110   6.307  11.991  24.402
  814    HA   LYS 110           HA       LYS 110   5.935  14.738  23.899
  815    HB2  LYS 110           2HB      LYS 110   7.131  13.602  25.796
  816    HB3  LYS 110           3HB      LYS 110   8.517  13.324  24.733
  817    HG2  LYS 110           2HG      LYS 110   8.736  15.799  24.430
  818    HG3  LYS 110           3HG      LYS 110   7.336  16.042  25.483
  819    HD2  LYS 110           2HD      LYS 110  10.043  14.877  26.259
  820    HD3  LYS 110           3HD      LYS 110   9.360  16.438  26.745
  821    HE2  LYS 110           2HE      LYS 110   7.452  15.115  27.844
  822    HE3  LYS 110           3HE      LYS 110   8.402  13.651  27.539
  823    HZ1  LYS 110           3HZ      LYS 110  10.193  14.807  28.880
  824    HZ2  LYS 110           1HZ      LYS 110   9.004  15.899  29.317
  825    HZ3  LYS 110           2HZ      LYS 110   8.851  14.346  29.707
  826    H    ALA 111           H        ALA 111   8.145  12.395  22.277
  827    HA   ALA 111           HA       ALA 111   9.388  14.320  20.593
  828    HB1  ALA 111           3HB      ALA 111  10.337  12.088  21.031
  829    HB2  ALA 111           1HB      ALA 111   8.971  11.322  20.187
  830    HB3  ALA 111           2HB      ALA 111  10.111  12.347  19.291
  831    H    LYS 112           H        LYS 112   6.520  12.193  20.126
  832    HA   LYS 112           HA       LYS 112   6.212  12.910  17.362
  833    HB2  LYS 112           2HB      LYS 112   5.538  10.736  18.311
  834    HB3  LYS 112           3HB      LYS 112   4.359  11.526  19.357
  835    HG2  LYS 112           2HG      LYS 112   3.274  10.455  17.472
  836    HG3  LYS 112           3HG      LYS 112   3.011  12.188  17.410
  837    HD2  LYS 112           2HD      LYS 112   4.707  12.390  15.622
  838    HD3  LYS 112           3HD      LYS 112   5.098  10.659  15.785
  839    HE2  LYS 112           2HE      LYS 112   2.750  10.085  15.195
  840    HE3  LYS 112           3HE      LYS 112   2.365  11.799  15.035
  841    HZ1  LYS 112           3HZ      LYS 112   3.941  11.929  13.205
  842    HZ2  LYS 112           1HZ      LYS 112   4.337  10.351  13.359
  843    HZ3  LYS 112           2HZ      LYS 112   2.832  10.778  12.892
  844    H    TYR 113           H        TYR 113   4.624  14.090  20.364
  845    HA   TYR 113           HA       TYR 113   2.753  15.659  18.690
  846    HD1  TYR 113           HD1      TYR 113   0.584  14.754  18.385
  847    HD2  TYR 113           HD2      TYR 113   0.584  16.113  22.478
  848    HE1  TYR 113           HE1      TYR 113  -1.723  15.584  18.098
  849    HE2  TYR 113           HE2      TYR 113  -1.729  16.958  22.202
  850    HH   TYR 113           HH       TYR 113  -3.536  16.638  19.106
  851    HB2  TYR 113           2HB      TYR 113   2.124  13.817  20.429
  852    HB3  TYR 113           3HB      TYR 113   2.498  15.027  21.641
  853    HA   PRO 114           HA       PRO 114   4.821  19.316  20.038
  854    HB2  PRO 114           2HB      PRO 114   3.058  21.296  19.389
  855    HB3  PRO 114           3HB      PRO 114   3.855  20.272  18.161
  856    HG2  PRO 114           2HG      PRO 114   1.096  19.904  19.377
  857    HG3  PRO 114           3HG      PRO 114   1.541  19.931  17.638
  858    HD2  PRO 114           2HD      PRO 114   1.266  17.608  19.013
  859    HD3  PRO 114           3HD      PRO 114   2.534  17.793  17.766
  860    H    ASP 115           H        ASP 115   2.176  18.136  21.861
  861    HA   ASP 115           HA       ASP 115   1.662  20.301  23.628
  862    HB2  ASP 115           2HB      ASP 115   0.364  18.171  23.548
  863    HB3  ASP 115           3HB      ASP 115   1.698  17.357  24.382
  864    H    TYR 116           H        TYR 116   2.760  21.140  25.280
  865    HA   TYR 116           HA       TYR 116   5.493  21.190  25.148
  866    HD1  TYR 116           HD1      TYR 116   5.424  23.907  24.697
  867    HD2  TYR 116           HD2      TYR 116   1.746  22.838  26.692
  868    HE1  TYR 116           HE1      TYR 116   4.174  25.411  23.183
  869    HE2  TYR 116           HE2      TYR 116   0.484  24.329  25.171
  870    HH   TYR 116           HH       TYR 116   2.081  26.225  22.563
  871    HB2  TYR 116           2HB      TYR 116   3.839  22.039  27.544
  872    HB3  TYR 116           3HB      TYR 116   5.365  22.724  26.998
  873    H    GLU 117           H        GLU 117   3.617  18.949  27.233
  874    HA   GLU 117           HA       GLU 117   6.148  17.846  28.199
  875    HB2  GLU 117           2HB      GLU 117   5.755  19.777  29.717
  876    HB3  GLU 117           3HB      GLU 117   4.147  19.174  30.080
  877    HG2  GLU 117           2HG      GLU 117   5.647  18.718  31.911
  878    HG3  GLU 117           3HG      GLU 117   5.147  17.195  31.205
  879    H    VAL 118           H        VAL 118   5.903  15.808  29.250
  880    HA   VAL 118           HA       VAL 118   3.234  14.640  29.549
  881    HB   VAL 118           HB       VAL 118   5.369  13.089  28.045
  882   HG11  VAL 118          1HG1      VAL 118   2.332  12.772  28.151
  883   HG12  VAL 118          2HG1      VAL 118   3.488  11.645  27.417
  884   HG13  VAL 118          3HG1      VAL 118   3.468  11.885  29.174
  885   HG21  VAL 118          3HG2      VAL 118   3.152  14.629  26.649
  886   HG22  VAL 118          1HG2      VAL 118   4.900  14.948  26.525
  887   HG23  VAL 118          2HG2      VAL 118   4.245  13.434  25.911
  888    H    THR 119           H        THR 119   3.322  13.402  31.472
  889    HA   THR 119           HA       THR 119   5.958  12.400  32.380
  890    HB   THR 119           HB       THR 119   5.278  13.055  34.730
  891    HG1  THR 119           1HG      THR 119   3.712  14.451  35.054
  892   HG21  THR 119          3HG2      THR 119   7.045  14.248  33.505
  893   HG22  THR 119          1HG2      THR 119   5.842  15.358  32.818
  894   HG23  THR 119          2HG2      THR 119   6.141  15.330  34.574
  895    H    TRP 120           H        TRP 120   5.583  10.823  34.294
  896    HA   TRP 120           HA       TRP 120   3.025   9.434  34.079
  897    HD1  TRP 120           HD1      TRP 120   6.965   9.249  32.185
  898    HE1  TRP 120           HE1      TRP 120   9.194   8.344  33.009
  899    HE3  TRP 120           HE3      TRP 120   5.224   5.798  35.556
  900    HZ2  TRP 120           HZ2      TRP 120  10.132   6.321  34.868
  901    HZ3  TRP 120           HZ3      TRP 120   6.818   4.384  36.823
  902    HH2  TRP 120           HH2      TRP 120   9.269   4.634  36.487
  903    HB2  TRP 120           2HB      TRP 120   4.073   7.258  33.720
  904    HB3  TRP 120           3HB      TRP 120   4.428   8.327  32.386
  905    H    ALA 121           H        ALA 121   2.864   7.699  35.739
  906    HA   ALA 121           HA       ALA 121   4.729   7.763  37.988
  907    HB1  ALA 121           3HB      ALA 121   3.117   9.604  38.531
  908    HB2  ALA 121           1HB      ALA 121   1.769   8.461  38.344
  909    HB3  ALA 121           2HB      ALA 121   2.956   8.239  39.648
  910    H    ASN 122           H        ASN 122   3.904   6.054  39.624
  911    HA   ASN 122           HA       ASN 122   2.245   3.924  38.393
  912    HB2  ASN 122           2HB      ASN 122   4.654   3.374  37.990
  913    HB3  ASN 122           3HB      ASN 122   4.941   3.464  39.731
  914   HD21  ASN 122          2HD2      ASN 122   5.528   1.233  39.971
  915   HD22  ASN 122          1HD2      ASN 122   4.386  -0.061  39.728
  916    H    ASP 123           H        ASP 123   1.523   5.960  40.205
  917    HA   ASP 123           HA       ASP 123   2.003   5.374  42.924
  918    HB2  ASP 123           2HB      ASP 123   1.457   7.602  42.090
  919    HB3  ASP 123           3HB      ASP 123  -0.148   7.055  41.597
  920    H    GLY 124           H        GLY 124  -0.611   4.265  40.781
  921    HA2  GLY 124           2HA      GLY 124  -1.392   2.143  42.466
  922    HA3  GLY 124           3HA      GLY 124  -2.469   3.507  42.794
  923    H    TYR 125           H        TYR 125  -3.841   1.558  41.971
  924    HA   TYR 125           HA       TYR 125  -4.207   1.671  39.023
  925    HD1  TYR 125           HD1      TYR 125  -7.282  -0.459  39.229
  926    HD2  TYR 125           HD2      TYR 125  -3.230  -1.228  37.992
  927    HE1  TYR 125           HE1      TYR 125  -8.118  -1.513  37.149
  928    HE2  TYR 125           HE2      TYR 125  -4.053  -2.368  35.967
  929    HH   TYR 125           HH       TYR 125  -7.539  -2.616  35.162
  930    HB2  TYR 125           2HB      TYR 125  -3.658  -0.559  40.215
  931    HB3  TYR 125           3HB      TYR 125  -5.281  -0.471  40.875
  Start of MODEL    2
    1    HA   MET   1           HA       MET   1   2.404  -0.758  -4.368
    2    H1   MET   1           H1       MET   1   1.375  -2.217  -5.970
    3    H2   MET   1           H2       MET   1   2.077  -3.537  -5.263
    4    H3   MET   1           H3       MET   1   3.009  -2.403  -5.985
    5    HB2  MET   1           2HB      MET   1   0.812  -3.044  -3.129
    6    HB3  MET   1           3HB      MET   1   1.231  -1.551  -2.291
    7    HG2  MET   1           2HG      MET   1  -0.500  -1.759  -4.780
    8    HG3  MET   1           3HG      MET   1  -1.044  -1.459  -3.134
    9    HE1  MET   1           3HE      MET   1  -1.815   1.940  -4.898
   10    HE2  MET   1           1HE      MET   1  -1.934   0.313  -5.602
   11    HE3  MET   1           2HE      MET   1  -2.465   0.600  -3.928
   12    H    ALA   2           H        ALA   2   4.067  -0.390  -2.932
   13    HA   ALA   2           HA       ALA   2   6.133  -2.348  -2.591
   14    HB1  ALA   2           3HB      ALA   2   7.118  -0.653  -1.088
   15    HB2  ALA   2           1HB      ALA   2   6.566   0.091  -2.600
   16    HB3  ALA   2           2HB      ALA   2   5.604   0.268  -1.109
   17    H    VAL   3           H        VAL   3   6.819  -3.358  -0.616
   18    HA   VAL   3           HA       VAL   3   4.734  -4.342   1.098
   19    HB   VAL   3           HB       VAL   3   6.618  -5.457   2.235
   20   HG11  VAL   3          1HG1      VAL   3   6.726  -5.772  -0.791
   21   HG12  VAL   3          2HG1      VAL   3   7.238  -6.960   0.420
   22   HG13  VAL   3          3HG1      VAL   3   5.529  -6.509   0.294
   23   HG21  VAL   3          3HG2      VAL   3   8.906  -5.375   1.356
   24   HG22  VAL   3          1HG2      VAL   3   8.455  -4.130   0.181
   25   HG23  VAL   3          2HG2      VAL   3   8.417  -3.773   1.922
   26    H    ALA   4           H        ALA   4   4.988  -4.201   3.522
   27    HA   ALA   4           HA       ALA   4   4.912  -1.449   4.364
   28    HB1  ALA   4           3HB      ALA   4   4.897  -4.050   5.965
   29    HB2  ALA   4           1HB      ALA   4   4.558  -2.436   6.625
   30    HB3  ALA   4           2HB      ALA   4   3.477  -3.121   5.405
   31    H    ASP   5           H        ASP   5   6.180  -0.635   6.234
   32    HA   ASP   5           HA       ASP   5   8.711  -1.858   6.915
   33    HB2  ASP   5           2HB      ASP   5   9.377  -0.502   4.936
   34    HB3  ASP   5           3HB      ASP   5   8.635   0.925   5.662
   35    H    LEU   6           H        LEU   6   9.362  -0.996   8.999
   36    HA   LEU   6           HA       LEU   6   7.149  -0.312  10.639
   37    HG   LEU   6           HG       LEU   6   9.305  -2.499  10.707
   38    HB2  LEU   6           2HB      LEU   6  10.151  -0.181  11.155
   39    HB3  LEU   6           3HB      LEU   6   8.924   0.002  12.404
   40   HD11  LEU   6          1HD1      LEU   6  10.174  -3.490  12.757
   41   HD12  LEU   6          2HD1      LEU   6  11.172  -2.121  12.259
   42   HD13  LEU   6          3HD1      LEU   6  10.030  -1.936  13.611
   43   HD21  LEU   6          3HD2      LEU   6   7.460  -1.934  13.074
   44   HD22  LEU   6          1HD2      LEU   6   6.989  -2.372  11.414
   45   HD23  LEU   6          2HD2      LEU   6   7.802  -3.554  12.426
   46    H    ALA   7           H        ALA   7   9.385   1.811   8.898
   47    HA   ALA   7           HA       ALA   7   8.930   4.145  10.499
   48    HB1  ALA   7           3HB      ALA   7  10.767   3.935   8.842
   49    HB2  ALA   7           1HB      ALA   7   9.567   3.903   7.528
   50    HB3  ALA   7           2HB      ALA   7   9.751   5.359   8.526
   51    H    LEU   8           H        LEU   8   6.937   2.463   8.109
   52    HA   LEU   8           HA       LEU   8   5.263   4.778   7.485
   53    HG   LEU   8           HG       LEU   8   6.748   2.428   5.776
   54    HB2  LEU   8           2HB      LEU   8   4.720   1.809   7.052
   55    HB3  LEU   8           3HB      LEU   8   3.839   3.150   6.335
   56   HD11  LEU   8          1HD1      LEU   8   4.271   2.227   4.008
   57   HD12  LEU   8          2HD1      LEU   8   5.934   1.776   3.565
   58   HD13  LEU   8          3HD1      LEU   8   5.078   0.868   4.817
   59   HD21  LEU   8          3HD2      LEU   8   5.018   4.636   4.573
   60   HD22  LEU   8          1HD2      LEU   8   6.485   4.850   5.557
   61   HD23  LEU   8          2HD2      LEU   8   6.605   4.121   3.956
   62    H    ILE   9           H        ILE   9   5.358   2.309   9.981
   63    HA   ILE   9           HA       ILE   9   2.556   2.558  10.722
   64    HB   ILE   9           HB       ILE   9   4.957   1.167  11.948
   65   HG12  ILE   9          2HG1      ILE   9   2.354   0.132  10.718
   66   HG13  ILE   9          3HG1      ILE   9   3.893   0.238   9.863
   67   HG21  ILE   9          1HG2      ILE   9   3.546   1.913  13.824
   68   HG22  ILE   9          2HG2      ILE   9   2.108   1.231  13.035
   69   HG23  ILE   9          3HG2      ILE   9   3.423   0.179  13.625
   70   HD11  ILE   9          3HD1      ILE   9   3.307  -1.560  12.240
   71   HD12  ILE   9          1HD1      ILE   9   3.569  -2.024  10.557
   72   HD13  ILE   9          2HD1      ILE   9   4.908  -1.336  11.498
   73    HA   PRO  10           HA       PRO  10   3.311   6.504  12.837
   74    HB2  PRO  10           2HB      PRO  10   0.816   5.607  14.297
   75    HB3  PRO  10           3HB      PRO  10   1.209   7.225  13.637
   76    HG2  PRO  10           2HG      PRO  10  -0.473   5.572  12.298
   77    HG3  PRO  10           3HG      PRO  10   0.780   6.493  11.402
   78    HD2  PRO  10           2HD      PRO  10   0.844   3.597  12.274
   79    HD3  PRO  10           3HD      PRO  10   1.323   4.325  10.711
   80    H    ASP  11           H        ASP  11   4.392   6.964  14.769
   81    HA   ASP  11           HA       ASP  11   5.270   4.661  16.250
   82    HB2  ASP  11           2HB      ASP  11   6.484   6.913  15.507
   83    HB3  ASP  11           3HB      ASP  11   5.932   7.483  17.085
   84    H    VAL  12           H        VAL  12   2.998   7.231  16.842
   85    HA   VAL  12           HA       VAL  12   2.025   5.979  19.324
   86    HB   VAL  12           HB       VAL  12   2.432   8.963  18.859
   87   HG11  VAL  12          1HG1      VAL  12   1.328   7.518  21.312
   88   HG12  VAL  12          2HG1      VAL  12   1.652   9.260  21.182
   89   HG13  VAL  12          3HG1      VAL  12   0.395   8.525  20.186
   90   HG21  VAL  12          3HG2      VAL  12   4.571   7.982  19.378
   91   HG22  VAL  12          1HG2      VAL  12   3.977   8.851  20.789
   92   HG23  VAL  12          2HG2      VAL  12   3.879   7.075  20.743
   93    H    ASP  13           H        ASP  13  -0.255   5.844  19.161
   94    HA   ASP  13           HA       ASP  13  -1.641   7.625  17.295
   95    HB2  ASP  13           2HB      ASP  13  -0.979   5.605  15.927
   96    HB3  ASP  13           3HB      ASP  13  -1.987   4.625  16.990
   97    H    ILE  14           H        ILE  14  -3.346   8.338  18.371
   98    HA   ILE  14           HA       ILE  14  -4.717   6.769  20.401
   99    HB   ILE  14           HB       ILE  14  -4.486   8.604  22.071
  100   HG12  ILE  14          2HG1      ILE  14  -2.237   9.675  20.298
  101   HG13  ILE  14          3HG1      ILE  14  -3.796  10.455  20.568
  102   HG21  ILE  14          1HG2      ILE  14  -3.099   6.515  22.152
  103   HG22  ILE  14          2HG2      ILE  14  -1.772   7.401  21.379
  104   HG23  ILE  14          3HG2      ILE  14  -2.359   7.886  22.980
  105   HD11  ILE  14          3HD1      ILE  14  -1.616  10.040  22.646
  106   HD12  ILE  14          1HD1      ILE  14  -2.168  11.557  21.927
  107   HD13  ILE  14          2HD1      ILE  14  -3.253  10.662  22.996
  108    H    ASP  15           H        ASP  15  -6.841   7.509  20.623
  109    HA   ASP  15           HA       ASP  15  -7.716  10.017  19.406
  110    HB2  ASP  15           2HB      ASP  15  -7.684   8.676  17.383
  111    HB3  ASP  15           3HB      ASP  15  -8.585   7.382  18.168
  112    H    SER  16           H        SER  16  -8.090  10.227  21.694
  113    HA   SER  16           HA       SER  16 -10.783   9.588  22.455
  114    HG   SER  16           HG       SER  16  -9.945   7.409  22.142
  115    HB2  SER  16           2HB      SER  16  -8.427   8.342  23.943
  116    HB3  SER  16           3HB      SER  16 -10.034   8.554  24.672
  117    H    ASP  17           H        ASP  17 -11.080  10.594  24.781
  118    HA   ASP  17           HA       ASP  17  -9.377  12.950  25.272
  119    HB2  ASP  17           2HB      ASP  17 -11.040  13.776  23.692
  120    HB3  ASP  17           3HB      ASP  17 -12.344  12.982  24.572
  121    H    GLY  18           H        GLY  18  -9.333  13.370  27.457
  122    HA2  GLY  18           2HA      GLY  18  -9.998  13.230  29.734
  123    HA3  GLY  18           3HA      GLY  18 -11.248  12.051  29.306
  124    H    VAL  19           H        VAL  19 -10.454  10.545  30.898
  125    HA   VAL  19           HA       VAL  19  -7.785   9.408  30.748
  126    HB   VAL  19           HB       VAL  19 -10.378   8.339  31.959
  127   HG11  VAL  19          1HG1      VAL  19  -7.489   7.448  32.386
  128   HG12  VAL  19          2HG1      VAL  19  -8.904   6.884  33.327
  129   HG13  VAL  19          3HG1      VAL  19  -8.782   6.508  31.614
  130   HG21  VAL  19          3HG2      VAL  19  -9.707  10.452  33.048
  131   HG22  VAL  19          1HG2      VAL  19  -9.461   9.087  34.129
  132   HG23  VAL  19          2HG2      VAL  19  -8.070   9.820  33.301
  133    H    PHE  20           H        PHE  20  -7.146   7.615  29.478
  134    HA   PHE  20           HA       PHE  20  -9.202   5.907  28.322
  135    HD1  PHE  20           HD1      PHE  20  -7.541   9.517  26.987
  136    HD2  PHE  20           HD2      PHE  20  -6.068   5.821  25.345
  137    HE1  PHE  20           HE1      PHE  20  -5.550  10.702  26.111
  138    HE2  PHE  20           HE2      PHE  20  -4.096   7.004  24.443
  139    HZ   PHE  20           HZ       PHE  20  -3.818   9.447  24.834
  140    HB2  PHE  20           2HB      PHE  20  -8.366   6.021  26.040
  141    HB3  PHE  20           3HB      PHE  20  -9.026   7.553  26.567
  142    H    LYS  21           H        LYS  21  -8.367   3.883  27.566
  143    HA   LYS  21           HA       LYS  21  -6.167   2.862  29.196
  144    HB2  LYS  21           2HB      LYS  21  -7.910   1.644  26.989
  145    HB3  LYS  21           3HB      LYS  21  -6.713   0.745  27.912
  146    HG2  LYS  21           2HG      LYS  21  -7.980   1.343  30.026
  147    HG3  LYS  21           3HG      LYS  21  -9.233   2.067  28.997
  148    HD2  LYS  21           2HD      LYS  21  -9.459  -0.185  27.827
  149    HD3  LYS  21           3HD      LYS  21  -8.304  -0.836  28.991
  150    HE2  LYS  21           2HE      LYS  21 -10.443  -1.438  29.812
  151    HE3  LYS  21           3HE      LYS  21  -9.871  -0.134  30.856
  152    HZ1  LYS  21           3HZ      LYS  21 -11.762   0.189  28.583
  153    HZ2  LYS  21           1HZ      LYS  21 -12.213   0.073  30.145
  154    HZ3  LYS  21           2HZ      LYS  21 -11.327   1.372  29.651
  155    H    TYR  22           H        TYR  22  -4.116   2.053  28.361
  156    HA   TYR  22           HA       TYR  22  -3.694   2.278  25.488
  157    HD1  TYR  22           HD1      TYR  22  -1.656   3.897  29.070
  158    HD2  TYR  22           HD2      TYR  22  -0.031   3.100  25.172
  159    HE1  TYR  22           HE1      TYR  22   0.592   3.711  30.062
  160    HE2  TYR  22           HE2      TYR  22   2.249   2.909  26.154
  161    HH   TYR  22           HH       TYR  22   3.543   3.314  28.009
  162    HB2  TYR  22           2HB      TYR  22  -2.268   3.997  25.436
  163    HB3  TYR  22           3HB      TYR  22  -2.920   4.456  26.978
  164    H    VAL  23           H        VAL  23  -1.709   1.253  24.786
  165    HA   VAL  23           HA       VAL  23  -0.522  -0.689  26.644
  166    HB   VAL  23           HB       VAL  23  -2.432  -1.846  25.697
  167   HG11  VAL  23          1HG1      VAL  23  -2.834  -0.595  23.649
  168   HG12  VAL  23          2HG1      VAL  23  -1.313  -1.183  22.954
  169   HG13  VAL  23          3HG1      VAL  23  -2.645  -2.314  23.282
  170   HG21  VAL  23          3HG2      VAL  23  -1.319  -3.785  24.660
  171   HG22  VAL  23          1HG2      VAL  23   0.167  -2.838  24.472
  172   HG23  VAL  23          2HG2      VAL  23  -0.463  -3.197  26.086
  173    H    LEU  24           H        LEU  24   1.561  -1.266  26.034
  174    HA   LEU  24           HA       LEU  24   2.862   0.381  23.920
  175    HG   LEU  24           HG       LEU  24   4.990   1.505  24.799
  176    HB2  LEU  24           2HB      LEU  24   3.461   0.647  26.424
  177    HB3  LEU  24           3HB      LEU  24   4.132  -0.980  26.337
  178   HD11  LEU  24          1HD1      LEU  24   7.047   1.313  26.098
  179   HD12  LEU  24          2HD1      LEU  24   5.667   1.336  27.195
  180   HD13  LEU  24          3HD1      LEU  24   6.485  -0.204  26.833
  181   HD21  LEU  24          3HD2      LEU  24   5.482  -0.165  23.209
  182   HD22  LEU  24          1HD2      LEU  24   6.991   0.017  24.103
  183   HD23  LEU  24          2HD2      LEU  24   5.931  -1.357  24.457
  184    H    ILE  25           H        ILE  25   3.467  -0.877  22.176
  185    HA   ILE  25           HA       ILE  25   3.502  -3.848  22.543
  186    HB   ILE  25           HB       ILE  25   2.345  -2.289  20.202
  187   HG12  ILE  25          2HG1      ILE  25   0.821  -3.817  22.365
  188   HG13  ILE  25          3HG1      ILE  25   0.889  -2.056  22.224
  189   HG21  ILE  25          1HG2      ILE  25   2.233  -5.263  20.869
  190   HG22  ILE  25          2HG2      ILE  25   1.560  -4.475  19.420
  191   HG23  ILE  25          3HG2      ILE  25   3.285  -4.526  19.640
  192   HD11  ILE  25          3HD1      ILE  25  -0.402  -3.934  20.210
  193   HD12  ILE  25          1HD1      ILE  25  -1.195  -2.785  21.280
  194   HD13  ILE  25          2HD1      ILE  25  -0.150  -2.194  19.976
  195    H    ARG  26           H        ARG  26   5.242  -4.824  21.704
  196    HA   ARG  26           HA       ARG  26   7.321  -3.266  20.274
  197    HE   ARG  26           HE       ARG  26  11.207  -6.505  19.711
  198    HB2  ARG  26           2HB      ARG  26   8.024  -4.847  22.049
  199    HB3  ARG  26           3HB      ARG  26   7.059  -6.125  21.332
  200    HG2  ARG  26           2HG      ARG  26   9.206  -6.702  20.796
  201    HG3  ARG  26           3HG      ARG  26   8.615  -5.999  19.290
  202    HD2  ARG  26           2HD      ARG  26   9.898  -3.973  19.663
  203    HD3  ARG  26           3HD      ARG  26  10.250  -4.442  21.338
  204   HH11  ARG  26          1HH1      ARG  26  12.006  -3.104  20.436
  205   HH12  ARG  26          2HH1      ARG  26  13.680  -3.272  20.039
  206   HH21  ARG  26          1HH2      ARG  26  13.445  -6.735  19.223
  207   HH22  ARG  26          2HH2      ARG  26  14.513  -5.387  19.364
  208    H    VAL  27           H        VAL  27   7.342  -3.396  18.019
  209    HA   VAL  27           HA       VAL  27   5.506  -5.348  16.727
  210    HB   VAL  27           HB       VAL  27   4.492  -3.177  16.658
  211   HG11  VAL  27          1HG1      VAL  27   7.058  -2.125  15.411
  212   HG12  VAL  27          2HG1      VAL  27   5.516  -1.245  15.474
  213   HG13  VAL  27          3HG1      VAL  27   6.357  -1.660  16.972
  214   HG21  VAL  27          3HG2      VAL  27   4.282  -4.616  14.665
  215   HG22  VAL  27          1HG2      VAL  27   4.186  -2.891  14.267
  216   HG23  VAL  27          2HG2      VAL  27   5.673  -3.796  13.922
  217    H    HIS  28           H        HIS  28   6.307  -6.354  14.938
  218    HA   HIS  28           HA       HIS  28   9.253  -6.191  14.484
  219    HD1  HIS  28           HD1      HIS  28  10.446  -7.830  16.689
  220    HD2  HIS  28           HD2      HIS  28   6.416  -9.039  16.764
  221    HE1  HIS  28           HE1      HIS  28   9.943  -8.598  19.098
  222    HB2  HIS  28           2HB      HIS  28   7.436  -8.637  14.398
  223    HB3  HIS  28           3HB      HIS  28   9.189  -8.605  14.277
  224    H    SER  29           H        SER  29   9.823  -6.163  12.320
  225    HA   SER  29           HA       SER  29   7.788  -5.746  10.304
  226    HG   SER  29           HG       SER  29  11.265  -5.965  11.180
  227    HB2  SER  29           2HB      SER  29   9.773  -5.812   8.750
  228    HB3  SER  29           3HB      SER  29   9.862  -4.609  10.035
  229    H    ALA  30           H        ALA  30   6.962  -7.163   8.805
  230    HA   ALA  30           HA       ALA  30   8.215  -9.754   8.348
  231    HB1  ALA  30           3HB      ALA  30   5.317  -9.507   9.228
  232    HB2  ALA  30           1HB      ALA  30   6.139 -11.001   8.705
  233    HB3  ALA  30           2HB      ALA  30   6.644 -10.191  10.205
  234    HA   PRO  31           HA       PRO  31   6.038  -7.341   4.805
  235    HB2  PRO  31           2HB      PRO  31   8.317  -6.690   3.342
  236    HB3  PRO  31           3HB      PRO  31   7.491  -5.624   4.521
  237    HG2  PRO  31           2HG      PRO  31   9.948  -7.315   4.907
  238    HG3  PRO  31           3HG      PRO  31   9.617  -5.668   5.516
  239    HD2  PRO  31           2HD      PRO  31   9.330  -7.912   7.092
  240    HD3  PRO  31           3HD      PRO  31   8.277  -6.467   7.249
  241    H    ARG  32           H        ARG  32   5.917  -8.107   2.577
  242    HA   ARG  32           HA       ARG  32   5.570  -9.790   1.138
  243    HE   ARG  32           HE       ARG  32   9.870 -12.234  -0.920
  244    HB2  ARG  32           2HB      ARG  32   8.141  -9.161   1.007
  245    HB3  ARG  32           3HB      ARG  32   8.400 -10.788   1.585
  246    HG2  ARG  32           2HG      ARG  32   6.599 -10.308  -0.818
  247    HG3  ARG  32           3HG      ARG  32   8.325 -10.076  -1.002
  248    HD2  ARG  32           2HD      ARG  32   6.998 -12.693  -0.209
  249    HD3  ARG  32           3HD      ARG  32   7.650 -12.272  -1.773
  250   HH11  ARG  32          1HH2      ARG  32   7.549 -13.527   1.455
  251   HH12  ARG  32          2HH2      ARG  32   8.707 -14.595   2.184
  252   HH21  ARG  32          1HH1      ARG  32  11.436 -13.472   0.238
  253   HH22  ARG  32          2HH1      ARG  32  10.972 -14.304   1.689
  254    H    SER  33           H        SER  33   5.093 -10.352   4.079
  255    HA   SER  33           HA       SER  33   4.665 -11.956   5.536
  256    HG   SER  33           HG       SER  33   1.956 -12.768   3.356
  257    HB2  SER  33           2HB      SER  33   4.057 -13.682   3.112
  258    HB3  SER  33           3HB      SER  33   3.407 -13.868   4.749
  259    H    GLY  34           H        GLY  34   7.530 -11.833   4.532
  260    HA2  GLY  34           2HA      GLY  34   8.816 -13.559   6.123
  261    HA3  GLY  34           3HA      GLY  34   8.443 -14.639   4.777
  262    H    ALA  35           H        ALA  35   9.288 -11.153   4.450
  263    HA   ALA  35           HA       ALA  35  11.432 -11.601   2.610
  264    HB1  ALA  35           3HB      ALA  35  10.171  -9.459   2.797
  265    HB2  ALA  35           1HB      ALA  35  10.803  -9.261   4.450
  266    HB3  ALA  35           2HB      ALA  35  11.902  -9.189   3.067
  267    HA   PRO  36           HA       PRO  36  14.723 -12.383   5.595
  268    HB2  PRO  36           2HB      PRO  36  16.967 -11.609   4.264
  269    HB3  PRO  36           3HB      PRO  36  15.952 -12.969   3.714
  270    HG2  PRO  36           2HG      PRO  36  15.851 -10.093   2.740
  271    HG3  PRO  36           3HG      PRO  36  15.990 -11.587   1.756
  272    HD2  PRO  36           2HD      PRO  36  13.592 -10.378   2.223
  273    HD3  PRO  36           3HD      PRO  36  13.737 -12.157   2.131
  274    H    ALA  37           H        ALA  37  13.314 -10.459   6.656
  275    HA   ALA  37           HA       ALA  37  15.249  -8.500   7.698
  276    HB1  ALA  37           3HB      ALA  37  14.073  -7.264   5.896
  277    HB2  ALA  37           1HB      ALA  37  12.500  -7.746   6.581
  278    HB3  ALA  37           2HB      ALA  37  13.580  -6.670   7.494
  279    H    ALA  38           H        ALA  38  14.798  -8.012   9.856
  280    HA   ALA  38           HA       ALA  38  12.373  -9.007  11.168
  281    HB1  ALA  38           3HB      ALA  38  13.642 -10.431  12.736
  282    HB2  ALA  38           1HB      ALA  38  13.869 -11.002  11.077
  283    HB3  ALA  38           2HB      ALA  38  15.155 -10.065  11.878
  284    H    GLU  39           H        GLU  39  13.460  -6.390  10.657
  285    HA   GLU  39           HA       GLU  39  14.701  -5.294  13.060
  286    HB2  GLU  39           2HB      GLU  39  13.090  -3.994  10.809
  287    HB3  GLU  39           3HB      GLU  39  13.951  -3.119  12.072
  288    HG2  GLU  39           2HG      GLU  39  15.215  -4.907   9.948
  289    HG3  GLU  39           3HG      GLU  39  15.212  -3.152   9.964
  290    H    SER  40           H        SER  40  13.509  -3.958  14.631
  291    HA   SER  40           HA       SER  40  10.594  -4.312  14.791
  292    HG   SER  40           HG       SER  40  12.452  -6.674  15.357
  293    HB2  SER  40           2HB      SER  40  12.452  -5.090  17.052
  294    HB3  SER  40           3HB      SER  40  10.690  -5.199  17.052
  295    H    LYS  41           H        LYS  41   9.700  -2.910  16.547
  296    HA   LYS  41           HA       LYS  41  11.441  -0.998  17.838
  297    HB2  LYS  41           2HB      LYS  41  10.532   1.030  17.015
  298    HB3  LYS  41           3HB      LYS  41  11.094   0.126  15.621
  299    HG2  LYS  41           2HG      LYS  41   8.791  -0.442  14.992
  300    HG3  LYS  41           3HG      LYS  41   8.166   0.269  16.492
  301    HD2  LYS  41           2HD      LYS  41   9.070   2.479  15.828
  302    HD3  LYS  41           3HD      LYS  41   9.607   1.793  14.282
  303    HE2  LYS  41           2HE      LYS  41   7.305   1.342  13.618
  304    HE3  LYS  41           3HE      LYS  41   6.715   1.748  15.238
  305    HZ1  LYS  41           3HZ      LYS  41   6.385   3.574  13.672
  306    HZ2  LYS  41           1HZ      LYS  41   7.439   4.018  14.896
  307    HZ3  LYS  41           2HZ      LYS  41   7.969   3.653  13.376
  308    H    GLU  42           H        GLU  42   9.878   0.603  19.150
  309    HA   GLU  42           HA       GLU  42   7.627  -1.022  20.261
  310    HB2  GLU  42           2HB      GLU  42   9.276   1.276  21.409
  311    HB3  GLU  42           3HB      GLU  42   7.754   0.730  22.095
  312    HG2  GLU  42           2HG      GLU  42   9.394  -0.341  23.380
  313    HG3  GLU  42           3HG      GLU  42   8.764  -1.592  22.312
  314    H    ILE  43           H        ILE  43   5.574  -0.099  20.285
  315    HA   ILE  43           HA       ILE  43   5.246   2.682  19.310
  316    HB   ILE  43           HB       ILE  43   3.192   1.956  18.100
  317   HG12  ILE  43          2HG1      ILE  43   4.298  -0.876  18.276
  318   HG13  ILE  43          3HG1      ILE  43   2.937  -0.279  19.226
  319   HG21  ILE  43          1HG2      ILE  43   5.355   2.478  16.992
  320   HG22  ILE  43          2HG2      ILE  43   5.753   0.749  17.002
  321   HG23  ILE  43          3HG2      ILE  43   4.359   1.344  16.069
  322   HD11  ILE  43          3HD1      ILE  43   3.006  -0.513  16.190
  323   HD12  ILE  43          1HD1      ILE  43   2.126  -1.541  17.330
  324   HD13  ILE  43          2HD1      ILE  43   1.665   0.160  17.149
  325    H    VAL  44           H        VAL  44   3.346   3.721  20.032
  326    HA   VAL  44           HA       VAL  44   2.206   2.597  22.567
  327    HB   VAL  44           HB       VAL  44   2.392   5.494  21.648
  328   HG11  VAL  44          1HG1      VAL  44   1.950   4.371  24.438
  329   HG12  VAL  44          2HG1      VAL  44   1.952   6.076  23.972
  330   HG13  VAL  44          3HG1      VAL  44   0.663   5.019  23.401
  331   HG21  VAL  44          3HG2      VAL  44   4.237   5.787  23.285
  332   HG22  VAL  44          1HG2      VAL  44   4.280   4.023  23.538
  333   HG23  VAL  44          2HG2      VAL  44   4.700   4.724  21.958
  334    H    ARG  45           H        ARG  45  -0.019   2.235  22.550
  335    HA   ARG  45           HA       ARG  45  -1.706   3.495  20.419
  336    HE   ARG  45           HE       ARG  45  -0.340   3.215  18.809
  337    HB2  ARG  45           2HB      ARG  45  -1.833   0.625  21.447
  338    HB3  ARG  45           3HB      ARG  45  -2.926   1.332  20.276
  339    HG2  ARG  45           2HG      ARG  45   0.057   0.845  19.782
  340    HG3  ARG  45           3HG      ARG  45  -1.223  -0.272  19.415
  341    HD2  ARG  45           2HD      ARG  45  -0.927   0.695  17.361
  342    HD3  ARG  45           3HD      ARG  45  -2.266   1.673  17.981
  343   HH11  ARG  45          1HH2      ARG  45  -0.334   1.672  15.581
  344   HH12  ARG  45          2HH2      ARG  45   1.090   2.535  15.094
  345   HH21  ARG  45          1HH1      ARG  45   1.510   4.181  18.181
  346   HH22  ARG  45          2HH1      ARG  45   2.135   3.999  16.552
  347    H    GLY  46           H        GLY  46  -3.789   4.184  21.324
  348    HA2  GLY  46           2HA      GLY  46  -4.727   2.883  23.712
  349    HA3  GLY  46           3HA      GLY  46  -4.066   4.472  24.093
  350    H    TYR  47           H        TYR  47  -6.883   3.032  23.797
  351    HA   TYR  47           HA       TYR  47  -8.279   5.452  22.922
  352    HD1  TYR  47           HD1      TYR  47  -6.850   1.934  21.002
  353    HD2  TYR  47           HD2      TYR  47  -8.389   5.759  19.756
  354    HE1  TYR  47           HE1      TYR  47  -5.152   2.014  19.202
  355    HE2  TYR  47           HE2      TYR  47  -6.680   5.860  17.948
  356    HH   TYR  47           HH       TYR  47  -4.310   3.237  17.394
  357    HB2  TYR  47           2HB      TYR  47  -9.028   2.745  21.782
  358    HB3  TYR  47           3HB      TYR  47  -9.650   4.327  21.323
  359    H    LYS  48           H        LYS  48 -10.401   5.547  23.915
  360    HA   LYS  48           HA       LYS  48 -10.693   3.689  26.173
  361    HB2  LYS  48           2HB      LYS  48 -12.221   5.230  27.126
  362    HB3  LYS  48           3HB      LYS  48 -10.814   6.100  26.553
  363    HG2  LYS  48           2HG      LYS  48 -12.139   6.824  24.527
  364    HG3  LYS  48           3HG      LYS  48 -13.557   6.026  25.231
  365    HD2  LYS  48           2HD      LYS  48 -13.337   7.454  27.263
  366    HD3  LYS  48           3HD      LYS  48 -11.933   8.265  26.538
  367    HE2  LYS  48           2HE      LYS  48 -13.365   9.047  24.660
  368    HE3  LYS  48           3HE      LYS  48 -14.761   8.239  25.386
  369    HZ1  LYS  48           3HZ      LYS  48 -14.550   9.706  27.294
  370    HZ2  LYS  48           1HZ      LYS  48 -13.221  10.441  26.664
  371    HZ3  LYS  48           2HZ      LYS  48 -14.675  10.607  25.931
  372    H    TRP  49           H        TRP  49 -11.962   3.559  23.012
  373    HA   TRP  49           HA       TRP  49 -14.554   2.509  23.699
  374    HD1  TRP  49           HD1      TRP  49 -12.740   4.253  19.969
  375    HE1  TRP  49           HE1      TRP  49 -10.583   3.655  18.753
  376    HE3  TRP  49           HE3      TRP  49 -12.116  -0.583  21.642
  377    HZ2  TRP  49           HZ2      TRP  49  -8.660   1.535  18.769
  378    HZ3  TRP  49           HZ3      TRP  49 -10.017  -1.777  21.175
  379    HH2  TRP  49           HH2      TRP  49  -8.233  -0.698  19.808
  380    HB2  TRP  49           2HB      TRP  49 -14.426   1.424  21.422
  381    HB3  TRP  49           3HB      TRP  49 -14.370   3.167  21.498
  382    H    ALA  50           H        ALA  50 -11.333   1.176  23.979
  383    HA   ALA  50           HA       ALA  50 -12.015  -1.587  23.826
  384    HB1  ALA  50           3HB      ALA  50  -9.715  -0.129  25.214
  385    HB2  ALA  50           1HB      ALA  50  -9.799  -1.877  24.905
  386    HB3  ALA  50           2HB      ALA  50  -9.746  -0.749  23.546
  387    H    GLU  51           H        GLU  51 -13.214  -2.744  25.221
  388    HA   GLU  51           HA       GLU  51 -14.093  -1.792  27.770
  389    HB2  GLU  51           2HB      GLU  51 -15.220  -3.508  26.258
  390    HB3  GLU  51           3HB      GLU  51 -13.993  -4.668  26.762
  391    HG2  GLU  51           2HG      GLU  51 -15.938  -5.071  28.083
  392    HG3  GLU  51           3HG      GLU  51 -14.757  -4.339  29.155
  393    H    TYR  52           H        TYR  52 -11.383  -3.808  26.716
  394    HA   TYR  52           HA       TYR  52 -10.045  -3.567  29.332
  395    HD1  TYR  52           HD1      TYR  52 -10.639  -5.287  31.432
  396    HD2  TYR  52           HD2      TYR  52 -12.604  -6.850  27.923
  397    HE1  TYR  52           HE1      TYR  52 -12.590  -5.911  32.811
  398    HE2  TYR  52           HE2      TYR  52 -14.562  -7.484  29.300
  399    HH   TYR  52           HH       TYR  52 -14.716  -6.868  32.828
  400    HB2  TYR  52           2HB      TYR  52 -10.312  -6.193  27.801
  401    HB3  TYR  52           3HB      TYR  52  -9.378  -5.934  29.264
  402    H    HIS  53           H        HIS  53  -7.718  -3.633  29.021
  403    HA   HIS  53           HA       HIS  53  -6.804  -2.321  26.766
  404    HD2  HIS  53           HD2      HIS  53  -4.490  -0.449  28.421
  405    HE1  HIS  53           HE1      HIS  53  -6.459  -0.995  32.149
  406    HE2  HIS  53           HE2      HIS  53  -5.052   0.621  30.709
  407    HB2  HIS  53           2HB      HIS  53  -5.217  -4.135  28.637
  408    HB3  HIS  53           3HB      HIS  53  -4.541  -2.895  27.579
  409    H    ALA  54           H        ALA  54  -6.929  -5.833  27.280
  410    HA   ALA  54           HA       ALA  54  -5.248  -6.651  25.199
  411    HB1  ALA  54           3HB      ALA  54  -6.086  -8.150  26.967
  412    HB2  ALA  54           1HB      ALA  54  -7.735  -8.032  26.296
  413    HB3  ALA  54           2HB      ALA  54  -6.440  -8.800  25.354
  414    H    ASP  55           H        ASP  55  -8.520  -5.281  24.971
  415    HA   ASP  55           HA       ASP  55  -9.136  -6.381  22.374
  416    HB2  ASP  55           2HB      ASP  55 -10.786  -5.303  23.997
  417    HB3  ASP  55           3HB      ASP  55 -10.102  -3.746  23.541
  418    H    ILE  56           H        ILE  56  -7.341  -3.501  23.523
  419    HA   ILE  56           HA       ILE  56  -7.023  -2.308  20.910
  420    HB   ILE  56           HB       ILE  56  -5.144  -2.005  23.296
  421   HG12  ILE  56          2HG1      ILE  56  -7.635  -0.361  22.704
  422   HG13  ILE  56          3HG1      ILE  56  -7.451  -1.523  24.029
  423   HG21  ILE  56          1HG2      ILE  56  -4.285  -1.152  21.136
  424   HG22  ILE  56          2HG2      ILE  56  -5.761  -0.194  20.917
  425   HG23  ILE  56          3HG2      ILE  56  -4.621   0.186  22.224
  426   HD11  ILE  56          3HD1      ILE  56  -5.578  -0.140  24.952
  427   HD12  ILE  56          1HD1      ILE  56  -5.982   1.101  23.737
  428   HD13  ILE  56          2HD1      ILE  56  -7.173   0.642  24.953
  429    H    TYR  57           H        TYR  57  -5.050  -4.501  22.978
  430    HA   TYR  57           HA       TYR  57  -2.843  -4.701  21.234
  431    HD1  TYR  57           HD2      TYR  57  -0.799  -5.837  21.395
  432    HD2  TYR  57           HD1      TYR  57  -3.150  -8.787  23.485
  433    HE1  TYR  57           HE2      TYR  57   0.895  -7.561  20.863
  434    HE2  TYR  57           HE1      TYR  57  -1.440 -10.500  23.004
  435    HH   TYR  57           HH       TYR  57   0.625 -10.952  21.986
  436    HB2  TYR  57           2HB      TYR  57  -2.720  -5.444  23.525
  437    HB3  TYR  57           3HB      TYR  57  -3.993  -6.630  23.270
  438    H    ASP  58           H        ASP  58  -5.808  -6.780  21.384
  439    HA   ASP  58           HA       ASP  58  -5.046  -8.490  19.248
  440    HB2  ASP  58           2HB      ASP  58  -6.814  -9.063  20.822
  441    HB3  ASP  58           3HB      ASP  58  -7.792  -7.696  20.279
  442    H    LYS  59           H        LYS  59  -7.043  -5.486  19.256
  443    HA   LYS  59           HA       LYS  59  -7.745  -5.501  16.521
  444    HB2  LYS  59           2HB      LYS  59  -8.736  -4.069  18.317
  445    HB3  LYS  59           3HB      LYS  59  -7.248  -3.125  18.367
  446    HG2  LYS  59           2HG      LYS  59  -8.836  -1.904  17.098
  447    HG3  LYS  59           3HG      LYS  59  -7.625  -2.514  15.957
  448    HD2  LYS  59           2HD      LYS  59  -9.173  -4.297  15.223
  449    HD3  LYS  59           3HD      LYS  59 -10.327  -3.832  16.476
  450    HE2  LYS  59           2HE      LYS  59 -11.111  -2.947  14.394
  451    HE3  LYS  59           3HE      LYS  59 -10.598  -1.603  15.414
  452    HZ1  LYS  59           3HZ      LYS  59  -8.550  -1.480  14.122
  453    HZ2  LYS  59           1HZ      LYS  59  -8.995  -2.764  13.204
  454    HZ3  LYS  59           2HZ      LYS  59  -9.845  -1.358  13.126
  455    H    VAL  60           H        VAL  60  -4.923  -4.004  18.151
  456    HA   VAL  60           HA       VAL  60  -3.842  -2.924  15.708
  457    HB   VAL  60           HB       VAL  60  -2.676  -3.381  18.483
  458   HG11  VAL  60          1HG1      VAL  60  -1.531  -1.740  16.178
  459   HG12  VAL  60          2HG1      VAL  60  -0.901  -1.769  17.837
  460   HG13  VAL  60          3HG1      VAL  60  -0.821  -3.220  16.856
  461   HG21  VAL  60          3HG2      VAL  60  -4.636  -1.736  18.210
  462   HG22  VAL  60          1HG2      VAL  60  -3.163  -1.031  18.826
  463   HG23  VAL  60          2HG2      VAL  60  -3.609  -0.801  17.118
  464    H    SER  61           H        SER  61  -3.169  -5.991  17.565
  465    HA   SER  61           HA       SER  61  -1.071  -6.867  15.862
  466    HG   SER  61           HG       SER  61  -2.110  -7.282  18.798
  467    HB2  SER  61           2HB      SER  61  -3.151  -8.543  17.331
  468    HB3  SER  61           3HB      SER  61  -1.592  -9.108  16.695
  469    H    GLY  62           H        GLY  62  -4.639  -7.068  15.449
  470    HA2  GLY  62           2HA      GLY  62  -4.643  -8.637  13.062
  471    HA3  GLY  62           3HA      GLY  62  -5.873  -7.463  13.573
  472    H    ASP  63           H        ASP  63  -4.473  -5.048  13.586
  473    HA   ASP  63           HA       ASP  63  -4.521  -4.359  10.829
  474    HB2  ASP  63           2HB      ASP  63  -4.894  -2.740  12.702
  475    HB3  ASP  63           3HB      ASP  63  -3.170  -2.803  13.069
  476    H    MET  64           H        MET  64  -1.716  -4.878  13.056
  477    HA   MET  64           HA       MET  64   0.247  -4.221  11.139
  478    HB2  MET  64           2HB      MET  64   0.264  -5.791  13.721
  479    HB3  MET  64           3HB      MET  64   1.663  -5.882  12.652
  480    HG2  MET  64           2HG      MET  64   2.057  -4.105  14.205
  481    HG3  MET  64           3HG      MET  64   1.837  -3.421  12.599
  482    HE1  MET  64           3HE      MET  64   0.314  -1.497  12.111
  483    HE2  MET  64           1HE      MET  64  -0.410  -0.571  13.441
  484    HE3  MET  64           2HE      MET  64   1.339  -0.904  13.449
  485    H    GLN  65           H        GLN  65  -1.399  -7.359  11.736
  486    HA   GLN  65           HA       GLN  65   0.292  -8.834   9.938
  487    HB2  GLN  65           2HB      GLN  65  -2.523  -9.241  11.001
  488    HB3  GLN  65           3HB      GLN  65  -1.775 -10.369   9.861
  489    HG2  GLN  65           2HG      GLN  65   0.059 -10.836  11.365
  490    HG3  GLN  65           3HG      GLN  65  -0.435  -9.563  12.477
  491   HE21  GLN  65          2HE2      GLN  65  -2.406  -9.817  13.693
  492   HE22  GLN  65          1HE2      GLN  65  -3.058 -11.427  14.022
  493    H    LYS  66           H        LYS  66  -2.620  -6.792   9.401
  494    HA   LYS  66           HA       LYS  66  -2.780  -7.448   6.589
  495    HB2  LYS  66           2HB      LYS  66  -3.825  -5.006   8.099
  496    HB3  LYS  66           3HB      LYS  66  -4.169  -5.389   6.413
  497    HG2  LYS  66           2HG      LYS  66  -5.234  -7.514   7.077
  498    HG3  LYS  66           3HG      LYS  66  -4.905  -7.157   8.781
  499    HD2  LYS  66           2HD      LYS  66  -6.286  -5.102   8.629
  500    HD3  LYS  66           3HD      LYS  66  -6.626  -5.464   6.918
  501    HE2  LYS  66           2HE      LYS  66  -7.627  -7.642   7.596
  502    HE3  LYS  66           3HE      LYS  66  -7.315  -7.253   9.293
  503    HZ1  LYS  66           3HZ      LYS  66  -9.109  -5.731   7.486
  504    HZ2  LYS  66           1HZ      LYS  66  -9.588  -6.752   8.674
  505    HZ3  LYS  66           2HZ      LYS  66  -8.817  -5.359   9.062
  506    H    GLN  67           H        GLN  67  -0.854  -5.096   8.453
  507    HA   GLN  67           HA       GLN  67   0.030  -3.633   6.124
  508    HB2  GLN  67           2HB      GLN  67   1.541  -3.967   8.762
  509    HB3  GLN  67           3HB      GLN  67   1.850  -2.776   7.516
  510    HG2  GLN  67           2HG      GLN  67  -0.560  -2.915   9.345
  511    HG3  GLN  67           3HG      GLN  67   0.754  -1.768   9.424
  512   HE21  GLN  67          2HE2      GLN  67  -2.028  -1.098   9.305
  513   HE22  GLN  67          1HE2      GLN  67  -2.289  -0.229   7.803
  514    H    GLY  68           H        GLY  68   1.532  -6.149   8.120
  515    HA2  GLY  68           2HA      GLY  68   2.736  -8.017   6.835
  516    HA3  GLY  68           3HA      GLY  68   3.608  -6.684   6.044
  517    H    CYS  69           H        CYS  69   2.513  -7.209   9.465
  518    HA   CYS  69           HA       CYS  69   5.256  -7.241  10.506
  519    HG   CYS  69           HG       CYS  69   5.010  -4.985   8.958
  520    HB2  CYS  69           2HB      CYS  69   3.155  -5.093  11.049
  521    HB3  CYS  69           3HB      CYS  69   4.487  -5.427  12.168
  522    H    ASP  70           H        ASP  70   5.007  -7.525  12.996
  523    HA   ASP  70           HA       ASP  70   2.559  -8.994  13.818
  524    HB2  ASP  70           2HB      ASP  70   4.125 -10.700  12.957
  525    HB3  ASP  70           3HB      ASP  70   5.404 -10.065  13.995
  526    H    CYS  71           H        CYS  71   2.681  -9.320  16.308
  527    HA   CYS  71           HA       CYS  71   4.005  -6.948  17.561
  528    HG   CYS  71           HG       CYS  71   0.437  -5.330  16.855
  529    HB2  CYS  71           2HB      CYS  71   1.067  -7.757  17.578
  530    HB3  CYS  71           3HB      CYS  71   1.756  -6.610  18.717
  531    H    GLU  72           H        GLU  72   4.222  -7.013  19.827
  532    HA   GLU  72           HA       GLU  72   3.218  -9.309  21.364
  533    HB2  GLU  72           2HB      GLU  72   5.460 -10.001  20.724
  534    HB3  GLU  72           3HB      GLU  72   6.140  -8.436  21.203
  535    HG2  GLU  72           2HG      GLU  72   5.608  -8.846  23.533
  536    HG3  GLU  72           3HG      GLU  72   4.697 -10.302  23.125
  537    H    CYS  73           H        CYS  73   2.195  -8.385  23.130
  538    HA   CYS  73           HA       CYS  73   2.391  -5.566  23.755
  539    HG   CYS  73           HG       CYS  73   2.245  -8.742  25.930
  540    HB2  CYS  73           2HB      CYS  73   1.073  -6.327  25.814
  541    HB3  CYS  73           3HB      CYS  73   0.319  -6.652  24.245
  542    H    LEU  74           H        LEU  74   3.881  -4.552  25.046
  543    HA   LEU  74           HA       LEU  74   5.746  -6.237  26.654
  544    HG   LEU  74           HG       LEU  74   6.472  -4.359  24.052
  545    HB2  LEU  74           2HB      LEU  74   5.783  -3.244  26.085
  546    HB3  LEU  74           3HB      LEU  74   6.964  -4.134  27.041
  547   HD11  LEU  74          1HD1      LEU  74   8.955  -3.607  25.667
  548   HD12  LEU  74          2HD1      LEU  74   8.813  -3.609  23.899
  549   HD13  LEU  74          3HD1      LEU  74   7.881  -2.458  24.858
  550   HD21  LEU  74          3HD2      LEU  74   8.247  -6.109  25.815
  551   HD22  LEU  74          1HD2      LEU  74   6.915  -6.641  24.761
  552   HD23  LEU  74          2HD2      LEU  74   8.396  -6.008  24.053
  553    H    GLY  75           H        GLY  75   2.994  -4.058  26.944
  554    HA2  GLY  75           2HA      GLY  75   2.089  -4.794  29.410
  555    HA3  GLY  75           3HA      GLY  75   3.305  -3.562  29.777
  556    H    GLY  76           H        GLY  76   0.994  -2.640  30.551
  557    HA2  GLY  76           2HA      GLY  76   0.397  -0.527  28.601
  558    HA3  GLY  76           3HA      GLY  76  -0.961  -1.576  28.973
  559    H    GLY  77           H        GLY  77  -1.676   0.690  29.644
  560    HA2  GLY  77           2HA      GLY  77  -1.826   0.960  32.463
  561    HA3  GLY  77           3HA      GLY  77  -0.681   2.154  31.821
  562    H    ARG  78           H        ARG  78  -2.010   3.977  32.127
  563    HA   ARG  78           HA       ARG  78  -4.251   4.276  30.206
  564    HE   ARG  78           HE       ARG  78  -6.448   4.930  35.104
  565    HB2  ARG  78           2HB      ARG  78  -4.354   4.963  33.181
  566    HB3  ARG  78           3HB      ARG  78  -5.480   5.610  31.980
  567    HG2  ARG  78           2HG      ARG  78  -6.222   3.315  31.412
  568    HG3  ARG  78           3HG      ARG  78  -5.148   2.657  32.651
  569    HD2  ARG  78           2HD      ARG  78  -7.480   4.572  33.112
  570    HD3  ARG  78           3HD      ARG  78  -7.503   2.839  33.435
  571   HH11  ARG  78          1HH2      ARG  78  -6.077   1.447  34.395
  572   HH12  ARG  78          2HH2      ARG  78  -5.137   1.154  35.844
  573   HH21  ARG  78          1HH1      ARG  78  -5.243   4.426  37.037
  574   HH22  ARG  78          2HH1      ARG  78  -4.911   2.758  37.418
  575    H    ILE  79           H        ILE  79  -4.616   6.495  29.677
  576    HA   ILE  79           HA       ILE  79  -2.392   8.362  30.334
  577    HB   ILE  79           HB       ILE  79  -3.737   7.904  27.640
  578   HG12  ILE  79          2HG1      ILE  79  -0.834   7.472  28.472
  579   HG13  ILE  79          3HG1      ILE  79  -2.010   6.198  28.231
  580   HG21  ILE  79          1HG2      ILE  79  -1.578   9.933  28.409
  581   HG22  ILE  79          2HG2      ILE  79  -2.204   9.667  26.770
  582   HG23  ILE  79          3HG2      ILE  79  -3.266  10.313  27.997
  583   HD11  ILE  79          3HD1      ILE  79  -0.558   6.321  26.319
  584   HD12  ILE  79          1HD1      ILE  79  -2.200   6.783  25.840
  585   HD13  ILE  79          2HD1      ILE  79  -0.940   8.022  26.051
  586    H    SER  80           H        SER  80  -3.132  10.521  30.588
  587    HA   SER  80           HA       SER  80  -5.996  11.118  30.378
  588    HG   SER  80           HG       SER  80  -4.426  10.855  34.140
  589    HB2  SER  80           2HB      SER  80  -5.934  11.953  32.789
  590    HB3  SER  80           3HB      SER  80  -5.965  10.199  32.570
  591    H    HIS  81           H        HIS  81  -6.344  13.505  30.711
  592    HA   HIS  81           HA       HIS  81  -4.080  15.265  30.829
  593    HD1  HIS  81           HD1      HIS  81  -6.061  17.020  26.961
  594    HD2  HIS  81           HD2      HIS  81  -6.430  12.972  28.059
  595    HE1  HIS  81           HE1      HIS  81  -8.093  16.104  25.709
  596    HB2  HIS  81           2HB      HIS  81  -4.249  16.220  28.612
  597    HB3  HIS  81           3HB      HIS  81  -3.909  14.508  28.438
  598    H    GLN  82           H        GLN  82  -4.856  17.532  30.716
  599    HA   GLN  82           HA       GLN  82  -7.707  18.046  30.548
  600    HB2  GLN  82           2HB      GLN  82  -7.122  17.413  33.040
  601    HB3  GLN  82           3HB      GLN  82  -6.288  18.956  33.090
  602    HG2  GLN  82           2HG      GLN  82  -8.481  19.317  33.961
  603    HG3  GLN  82           3HG      GLN  82  -8.463  20.061  32.371
  604   HE21  GLN  82          2HE2      GLN  82 -10.420  19.668  31.272
  605   HE22  GLN  82          1HE2      GLN  82 -11.298  18.159  31.369
  606    H    SER  83           H        SER  83  -6.044  18.610  28.685
  607    HA   SER  83           HA       SER  83  -3.986  20.262  28.676
  608    HG   SER  83           HG       SER  83  -4.765  18.464  25.826
  609    HB2  SER  83           2HB      SER  83  -6.123  20.345  26.529
  610    HB3  SER  83           3HB      SER  83  -4.372  20.521  26.343
  611    H    GLN  84           H        GLN  84  -7.251  21.533  29.106
  612    HA   GLN  84           HA       GLN  84  -6.763  24.254  28.435
  613    HB2  GLN  84           2HB      GLN  84  -8.790  24.700  29.665
  614    HB3  GLN  84           3HB      GLN  84  -8.989  23.194  28.772
  615    HG2  GLN  84           2HG      GLN  84  -8.279  22.023  31.010
  616    HG3  GLN  84           3HG      GLN  84  -8.600  23.584  31.762
  617   HE21  GLN  84          2HE2      GLN  84 -10.889  24.513  31.313
  618   HE22  GLN  84          1HE2      GLN  84 -12.193  23.345  31.207
  619    H    ASP  85           H        ASP  85  -5.704  22.355  31.185
  620    HA   ASP  85           HA       ASP  85  -4.580  24.763  32.534
  621    HB2  ASP  85           2HB      ASP  85  -6.838  24.389  33.443
  622    HB3  ASP  85           3HB      ASP  85  -6.438  22.708  33.788
  623    H    LYS  86           H        LYS  86  -4.435  21.237  31.955
  624    HA   LYS  86           HA       LYS  86  -1.866  21.152  33.456
  625    HB2  LYS  86           2HB      LYS  86  -4.085  19.066  33.629
  626    HB3  LYS  86           3HB      LYS  86  -2.487  18.948  34.365
  627    HG2  LYS  86           2HG      LYS  86  -2.980  20.972  35.744
  628    HG3  LYS  86           3HG      LYS  86  -4.615  21.014  35.047
  629    HD2  LYS  86           2HD      LYS  86  -5.137  18.822  36.011
  630    HD3  LYS  86           3HD      LYS  86  -3.482  18.667  36.612
  631    HE2  LYS  86           2HE      LYS  86  -4.913  19.325  38.444
  632    HE3  LYS  86           3HE      LYS  86  -3.790  20.637  38.071
  633    HZ1  LYS  86           3HZ      LYS  86  -5.571  21.810  36.936
  634    HZ2  LYS  86           1HZ      LYS  86  -6.618  20.559  37.200
  635    HZ3  LYS  86           2HZ      LYS  86  -6.039  21.436  38.452
  636    H    LYS  87           H        LYS  87  -0.359  19.765  32.669
  637    HA   LYS  87           HA       LYS  87  -0.431  19.093  29.891
  638    HB2  LYS  87           2HB      LYS  87   1.801  17.966  30.476
  639    HB3  LYS  87           3HB      LYS  87   1.646  19.697  30.643
  640    HG2  LYS  87           2HG      LYS  87   2.962  18.840  32.428
  641    HG3  LYS  87           3HG      LYS  87   1.478  19.497  33.088
  642    HD2  LYS  87           2HD      LYS  87   0.572  17.222  33.385
  643    HD3  LYS  87           3HD      LYS  87   2.019  16.519  32.641
  644    HE2  LYS  87           2HE      LYS  87   2.150  18.330  35.088
  645    HE3  LYS  87           3HE      LYS  87   1.869  16.591  35.232
  646    HZ1  LYS  87           3HZ      LYS  87   4.213  17.163  35.447
  647    HZ2  LYS  87           1HZ      LYS  87   3.969  16.173  34.178
  648    HZ3  LYS  87           2HZ      LYS  87   4.281  17.766  33.929
  649    H    ILE  88           H        ILE  88   0.383  16.833  29.178
  650    HA   ILE  88           HA       ILE  88  -1.789  14.972  29.738
  651    HB   ILE  88           HB       ILE  88   0.762  14.626  28.102
  652   HG12  ILE  88          2HG1      ILE  88  -1.988  15.545  27.137
  653   HG13  ILE  88          3HG1      ILE  88  -0.562  16.569  27.274
  654   HG21  ILE  88          1HG2      ILE  88  -0.396  12.472  28.652
  655   HG22  ILE  88          2HG2      ILE  88  -1.887  13.106  27.936
  656   HG23  ILE  88          3HG2      ILE  88  -0.446  12.813  26.939
  657   HD11  ILE  88          3HD1      ILE  88  -0.929  14.282  25.320
  658   HD12  ILE  88          1HD1      ILE  88  -0.795  16.011  24.984
  659   HD13  ILE  88          2HD1      ILE  88   0.616  15.129  25.597
  660    H    HIS  89           H        HIS  89  -1.487  12.886  30.779
  661    HA   HIS  89           HA       HIS  89   1.082  12.416  32.135
  662    HD1  HIS  89           HD1      HIS  89   0.543  10.293  35.055
  663    HD2  HIS  89           HD2      HIS  89   1.260  14.438  34.855
  664    HE1  HIS  89           HE1      HIS  89   2.401  10.789  36.714
  665    HB2  HIS  89           2HB      HIS  89  -0.842  13.642  33.592
  666    HB3  HIS  89           3HB      HIS  89  -1.400  11.984  33.777
  667    H    VAL  90           H        VAL  90   1.248  10.197  32.888
  668    HA   VAL  90           HA       VAL  90  -0.691   8.265  31.720
  669    HB   VAL  90           HB       VAL  90   2.342   8.008  31.750
  670   HG11  VAL  90          1HG1      VAL  90   0.251   6.374  30.268
  671   HG12  VAL  90          2HG1      VAL  90   2.006   6.142  30.211
  672   HG13  VAL  90          3HG1      VAL  90   1.123   5.853  31.722
  673   HG21  VAL  90          3HG2      VAL  90   1.895   9.760  30.163
  674   HG22  VAL  90          1HG2      VAL  90   2.187   8.290  29.234
  675   HG23  VAL  90          2HG2      VAL  90   0.528   8.884  29.467
  676    H    TYR  91           H        TYR  91  -1.010   6.384  33.090
  677    HA   TYR  91           HA       TYR  91   0.434   6.103  35.560
  678    HD1  TYR  91           HD1      TYR  91  -2.870   7.902  33.923
  679    HD2  TYR  91           HD2      TYR  91  -3.301   6.310  37.917
  680    HE1  TYR  91           HE1      TYR  91  -5.315   7.918  33.652
  681    HE2  TYR  91           HE2      TYR  91  -5.768   6.380  37.673
  682    HH   TYR  91           HH       TYR  91  -7.383   7.488  34.685
  683    HB2  TYR  91           2HB      TYR  91  -1.173   6.748  37.129
  684    HB3  TYR  91           3HB      TYR  91  -1.048   8.106  36.050
  685    H    GLY  92           H        GLY  92  -0.943   4.448  37.024
  686    HA2  GLY  92           2HA      GLY  92  -2.137   2.497  37.222
  687    HA3  GLY  92           3HA      GLY  92  -2.791   2.738  35.611
  688    H    TYR  93           H        TYR  93  -2.334   0.231  35.960
  689    HA   TYR  93           HA       TYR  93  -0.325  -0.232  33.942
  690    HD1  TYR  93           HD2      TYR  93  -0.719  -3.521  36.737
  691    HD2  TYR  93           HD1      TYR  93   1.044   0.256  37.824
  692    HE1  TYR  93           HE2      TYR  93  -0.929  -4.117  39.138
  693    HE2  TYR  93           HE1      TYR  93   0.875  -0.337  40.217
  694    HH   TYR  93           HH       TYR  93   0.194  -1.947  41.760
  695    HB2  TYR  93           2HB      TYR  93   0.703  -2.188  35.151
  696    HB3  TYR  93           3HB      TYR  93   1.253  -0.585  35.587
  697    H    SER  94           H        SER  94  -1.012  -1.778  32.572
  698    HA   SER  94           HA       SER  94  -3.600  -3.003  32.963
  699    HG   SER  94           HG       SER  94  -3.734  -1.787  30.644
  700    HB2  SER  94           2HB      SER  94  -1.493  -3.511  30.827
  701    HB3  SER  94           3HB      SER  94  -3.215  -3.938  30.738
  702    H    MET  95           H        MET  95  -3.462  -4.386  34.761
  703    HA   MET  95           HA       MET  95  -1.543  -6.380  35.226
  704    HB2  MET  95           2HB      MET  95  -4.515  -6.335  35.889
  705    HB3  MET  95           3HB      MET  95  -3.351  -7.484  36.566
  706    HG2  MET  95           2HG      MET  95  -2.026  -5.630  37.500
  707    HG3  MET  95           3HG      MET  95  -3.185  -4.456  36.880
  708    HE1  MET  95           3HE      MET  95  -6.073  -5.652  37.544
  709    HE2  MET  95           1HE      MET  95  -6.299  -4.894  39.134
  710    HE3  MET  95           2HE      MET  95  -5.518  -3.985  37.822
  711    H    ALA  96           H        ALA  96  -3.817  -6.291  32.641
  712    HA   ALA  96           HA       ALA  96  -4.137  -9.008  31.975
  713    HB1  ALA  96           3HB      ALA  96  -4.451  -8.163  29.679
  714    HB2  ALA  96           1HB      ALA  96  -5.310  -7.140  30.846
  715    HB3  ALA  96           2HB      ALA  96  -3.765  -6.596  30.139
  716    H    TYR  97           H        TYR  97  -1.224  -6.969  31.764
  717    HA   TYR  97           HA       TYR  97   0.285  -9.359  30.904
  718    HD1  TYR  97           HD1      TYR  97  -0.193  -5.143  29.605
  719    HD2  TYR  97           HD2      TYR  97  -1.065  -8.859  27.603
  720    HE1  TYR  97           HE1      TYR  97  -1.836  -3.973  28.175
  721    HE2  TYR  97           HE2      TYR  97  -2.723  -7.702  26.168
  722    HH   TYR  97           HH       TYR  97  -3.289  -4.174  26.351
  723    HB2  TYR  97           2HB      TYR  97   1.440  -7.088  29.549
  724    HB3  TYR  97           3HB      TYR  97   0.945  -8.629  28.920
  725    H    GLY  98           H        GLY  98   0.481  -5.892  31.920
  726    HA2  GLY  98           2HA      GLY  98   1.692  -6.032  34.267
  727    HA3  GLY  98           3HA      GLY  98   3.086  -6.274  33.192
  728    HA   PRO  99           HA       PRO  99   2.206  -1.606  33.585
  729    HB2  PRO  99           2HB      PRO  99   5.078  -1.767  34.458
  730    HB3  PRO  99           3HB      PRO  99   3.779  -0.704  35.068
  731    HG2  PRO  99           2HG      PRO  99   4.659  -2.868  36.494
  732    HG3  PRO  99           3HG      PRO  99   2.928  -2.417  36.470
  733    HD2  PRO  99           2HD      PRO  99   4.328  -4.582  34.901
  734    HD3  PRO  99           3HD      PRO  99   2.728  -4.611  35.703
  735    H    ALA 100           H        ALA 100   2.630  -0.479  31.745
  736    HA   ALA 100           HA       ALA 100   4.417  -1.493  29.681
  737    HB1  ALA 100           3HB      ALA 100   2.955   1.142  30.130
  738    HB2  ALA 100           1HB      ALA 100   3.996   0.844  28.729
  739    HB3  ALA 100           2HB      ALA 100   2.552  -0.135  28.963
  740    H    GLN 101           H        GLN 101   6.323  -0.252  28.950
  741    HA   GLN 101           HA       GLN 101   7.972   0.783  31.136
  742    HB2  GLN 101           2HB      GLN 101   8.524   0.434  28.158
  743    HB3  GLN 101           3HB      GLN 101   9.680   1.059  29.345
  744    HG2  GLN 101           2HG      GLN 101   9.474  -1.075  30.639
  745    HG3  GLN 101           3HG      GLN 101   8.404  -1.715  29.393
  746   HE21  GLN 101          2HE2      GLN 101  11.764  -0.667  30.071
  747   HE22  GLN 101          1HE2      GLN 101  12.463  -1.474  28.683
  748    H    HIS 102           H        HIS 102   6.205   2.380  31.553
  749    HA   HIS 102           HA       HIS 102   5.205   4.225  29.825
  750    HD1  HIS 102           HD1      HIS 102   4.911   2.709  34.084
  751    HD2  HIS 102           HD2      HIS 102   2.478   4.068  30.952
  752    HE1  HIS 102           HE1      HIS 102   2.701   1.454  34.276
  753    HB2  HIS 102           2HB      HIS 102   5.883   4.747  32.738
  754    HB3  HIS 102           3HB      HIS 102   4.693   5.619  31.775
  755    H    ALA 103           H        ALA 103   8.478   4.437  31.231
  756    HA   ALA 103           HA       ALA 103   8.931   7.199  30.648
  757    HB1  ALA 103           3HB      ALA 103  10.906   4.870  30.707
  758    HB2  ALA 103           1HB      ALA 103  11.315   6.596  30.776
  759    HB3  ALA 103           2HB      ALA 103  10.409   5.851  32.108
  760    H    ILE 104           H        ILE 104   9.143   4.254  28.619
  761    HA   ILE 104           HA       ILE 104  10.361   5.609  26.350
  762    HB   ILE 104           HB       ILE 104   8.799   2.985  26.496
  763   HG12  ILE 104          2HG1      ILE 104  11.802   3.516  26.642
  764   HG13  ILE 104          3HG1      ILE 104  10.783   2.915  27.950
  765   HG21  ILE 104          1HG2      ILE 104  10.680   4.007  24.327
  766   HG22  ILE 104          2HG2      ILE 104   9.819   2.454  24.330
  767   HG23  ILE 104          3HG2      ILE 104   8.906   3.949  24.208
  768   HD11  ILE 104          3HD1      ILE 104  10.287   0.869  26.544
  769   HD12  ILE 104          1HD1      ILE 104  11.548   1.428  25.419
  770   HD13  ILE 104          2HD1      ILE 104  11.966   1.046  27.092
  771    H    SER 105           H        SER 105   7.005   4.538  27.267
  772    HA   SER 105           HA       SER 105   5.741   5.577  25.017
  773    HG   SER 105           HG       SER 105   5.045   3.402  25.969
  774    HB2  SER 105           2HB      SER 105   4.529   5.518  27.802
  775    HB3  SER 105           3HB      SER 105   3.703   5.328  26.241
  776    H    THR 106           H        THR 106   6.451   7.314  28.128
  777    HA   THR 106           HA       THR 106   4.959   9.617  27.348
  778    HB   THR 106           HB       THR 106   6.410  10.763  29.141
  779    HG1  THR 106           1HG      THR 106   7.059   8.066  29.742
  780   HG21  THR 106          3HG2      THR 106   4.120   9.818  29.473
  781   HG22  THR 106          1HG2      THR 106   4.834   8.288  29.982
  782   HG23  THR 106          2HG2      THR 106   5.134   9.778  30.913
  783    H    GLU 107           H        GLU 107   8.478   8.835  26.926
  784    HA   GLU 107           HA       GLU 107   9.094  11.347  25.743
  785    HB2  GLU 107           2HB      GLU 107  10.306   8.576  25.437
  786    HB3  GLU 107           3HB      GLU 107  10.980  10.007  24.654
  787    HG2  GLU 107           2HG      GLU 107  10.591   9.785  27.670
  788    HG3  GLU 107           3HG      GLU 107  12.081   9.368  26.833
  789    H    LYS 108           H        LYS 108   7.834   8.314  24.334
  790    HA   LYS 108           HA       LYS 108   7.964   9.219  21.600
  791    HB2  LYS 108           2HB      LYS 108   6.431   7.046  23.061
  792    HB3  LYS 108           3HB      LYS 108   6.145   7.375  21.343
  793    HG2  LYS 108           2HG      LYS 108   8.497   6.990  20.813
  794    HG3  LYS 108           3HG      LYS 108   8.865   6.702  22.521
  795    HD2  LYS 108           2HD      LYS 108   7.406   4.743  22.558
  796    HD3  LYS 108           3HD      LYS 108   6.907   5.013  20.881
  797    HE2  LYS 108           2HE      LYS 108   9.850   4.782  21.525
  798    HE3  LYS 108           3HE      LYS 108   8.878   3.308  21.510
  799    HZ1  LYS 108           3HZ      LYS 108   9.973   4.025  19.337
  800    HZ2  LYS 108           1HZ      LYS 108   8.409   3.553  19.262
  801    HZ3  LYS 108           2HZ      LYS 108   8.761   5.137  19.198
  802    H    ILE 109           H        ILE 109   5.244   9.301  23.997
  803    HA   ILE 109           HA       ILE 109   3.404  10.603  22.243
  804    HB   ILE 109           HB       ILE 109   3.617  10.698  25.275
  805   HG12  ILE 109          2HG1      ILE 109   1.614   9.021  23.702
  806   HG13  ILE 109          3HG1      ILE 109   3.205   8.386  24.034
  807   HG21  ILE 109          1HG2      ILE 109   1.263  11.388  25.320
  808   HG22  ILE 109          2HG2      ILE 109   2.150  12.545  24.343
  809   HG23  ILE 109          3HG2      ILE 109   1.159  11.309  23.553
  810   HD11  ILE 109          3HD1      ILE 109   1.674   7.623  25.753
  811   HD12  ILE 109          1HD1      ILE 109   2.848   8.727  26.485
  812   HD13  ILE 109          2HD1      ILE 109   1.195   9.281  26.143
  813    H    LYS 110           H        LYS 110   5.880  11.917  24.515
  814    HA   LYS 110           HA       LYS 110   5.319  14.660  24.116
  815    HB2  LYS 110           2HB      LYS 110   6.742  13.634  25.887
  816    HB3  LYS 110           3HB      LYS 110   7.985  13.280  24.685
  817    HG2  LYS 110           2HG      LYS 110   8.179  15.754  24.245
  818    HG3  LYS 110           3HG      LYS 110   7.029  16.040  25.563
  819    HD2  LYS 110           2HD      LYS 110   9.704  14.582  25.810
  820    HD3  LYS 110           3HD      LYS 110   9.436  16.277  26.241
  821    HE2  LYS 110           2HE      LYS 110   7.939  15.680  28.044
  822    HE3  LYS 110           3HE      LYS 110   7.890  13.986  27.533
  823    HZ1  LYS 110           3HZ      LYS 110  10.315  15.326  28.544
  824    HZ2  LYS 110           1HZ      LYS 110   9.368  14.286  29.395
  825    HZ3  LYS 110           2HZ      LYS 110  10.199  13.746  28.081
  826    H    ALA 111           H        ALA 111   7.578  12.483  22.286
  827    HA   ALA 111           HA       ALA 111   8.453  14.476  20.478
  828    HB1  ALA 111           3HB      ALA 111   9.171  12.580  19.079
  829    HB2  ALA 111           1HB      ALA 111   9.579  12.295  20.783
  830    HB3  ALA 111           2HB      ALA 111   8.189  11.464  20.048
  831    H    LYS 112           H        LYS 112   5.613  12.277  20.335
  832    HA   LYS 112           HA       LYS 112   4.820  13.052  17.691
  833    HB2  LYS 112           2HB      LYS 112   4.139  10.942  18.895
  834    HB3  LYS 112           3HB      LYS 112   3.154  11.917  19.979
  835    HG2  LYS 112           2HG      LYS 112   1.650  11.035  18.422
  836    HG3  LYS 112           3HG      LYS 112   1.852  12.708  17.920
  837    HD2  LYS 112           2HD      LYS 112   3.504  11.897  16.177
  838    HD3  LYS 112           3HD      LYS 112   3.121  10.238  16.650
  839    HE2  LYS 112           2HE      LYS 112   1.194  12.323  15.519
  840    HE3  LYS 112           3HE      LYS 112   1.860  10.940  14.649
  841    HZ1  LYS 112           3HZ      LYS 112  -0.028  10.797  16.937
  842    HZ2  LYS 112           1HZ      LYS 112  -0.355  10.448  15.370
  843    HZ3  LYS 112           2HZ      LYS 112   0.646   9.481  16.224
  844    H    TYR 113           H        TYR 113   4.027  14.354  20.927
  845    HA   TYR 113           HA       TYR 113   2.460  16.552  19.663
  846    HD1  TYR 113           HD1      TYR 113  -0.094  15.964  19.115
  847    HD2  TYR 113           HD2      TYR 113   1.298  12.842  21.741
  848    HE1  TYR 113           HE1      TYR 113  -1.392  14.310  17.819
  849    HE2  TYR 113           HE2      TYR 113  -0.014  11.173  20.459
  850    HH   TYR 113           HH       TYR 113  -2.021  12.070  17.631
  851    HB2  TYR 113           2HB      TYR 113   1.823  15.077  22.240
  852    HB3  TYR 113           3HB      TYR 113   0.895  16.385  21.520
  853    HA   PRO 114           HA       PRO 114   5.983  17.881  22.429
  854    HB2  PRO 114           2HB      PRO 114   7.241  19.709  20.812
  855    HB3  PRO 114           3HB      PRO 114   7.481  17.940  20.676
  856    HG2  PRO 114           2HG      PRO 114   5.594  19.688  19.062
  857    HG3  PRO 114           3HG      PRO 114   6.777  18.482  18.454
  858    HD2  PRO 114           2HD      PRO 114   4.156  17.850  18.783
  859    HD3  PRO 114           3HD      PRO 114   5.446  16.674  19.177
  860    H    ASP 115           H        ASP 115   3.307  19.561  21.076
  861    HA   ASP 115           HA       ASP 115   3.701  22.157  22.217
  862    HB2  ASP 115           2HB      ASP 115   2.101  21.588  20.382
  863    HB3  ASP 115           3HB      ASP 115   1.110  20.713  21.550
  864    H    TYR 116           H        TYR 116   3.157  19.125  23.762
  865    HA   TYR 116           HA       TYR 116   2.378  20.500  26.278
  866    HD1  TYR 116           HD1      TYR 116  -0.242  20.778  27.073
  867    HD2  TYR 116           HD2      TYR 116  -0.156  18.499  23.414
  868    HE1  TYR 116           HE1      TYR 116  -2.233  22.011  26.269
  869    HE2  TYR 116           HE2      TYR 116  -2.149  19.717  22.599
  870    HH   TYR 116           HH       TYR 116  -3.717  21.377  23.066
  871    HB2  TYR 116           2HB      TYR 116   1.256  17.867  25.242
  872    HB3  TYR 116           3HB      TYR 116   0.982  18.530  26.843
  873    H    GLU 117           H        GLU 117   3.179  19.510  28.144
  874    HA   GLU 117           HA       GLU 117   5.559  17.822  27.883
  875    HB2  GLU 117           2HB      GLU 117   5.447  19.669  29.520
  876    HB3  GLU 117           3HB      GLU 117   4.042  18.934  30.288
  877    HG2  GLU 117           2HG      GLU 117   5.413  17.009  31.000
  878    HG3  GLU 117           3HG      GLU 117   6.815  17.676  30.160
  879    H    VAL 118           H        VAL 118   5.613  15.697  29.040
  880    HA   VAL 118           HA       VAL 118   3.044  14.460  29.676
  881    HB   VAL 118           HB       VAL 118   5.033  12.915  27.997
  882   HG11  VAL 118          1HG1      VAL 118   3.187  11.795  29.345
  883   HG12  VAL 118          2HG1      VAL 118   2.016  12.613  28.313
  884   HG13  VAL 118          3HG1      VAL 118   3.146  11.443  27.603
  885   HG21  VAL 118          3HG2      VAL 118   3.671  13.237  25.975
  886   HG22  VAL 118          1HG2      VAL 118   2.715  14.485  26.801
  887   HG23  VAL 118          2HG2      VAL 118   4.440  14.740  26.474
  888    H    THR 119           H        THR 119   3.336  13.219  31.548
  889    HA   THR 119           HA       THR 119   6.014  12.221  32.271
  890    HB   THR 119           HB       THR 119   5.481  12.989  34.680
  891    HG1  THR 119           1HG      THR 119   3.487  13.780  34.587
  892   HG21  THR 119          3HG2      THR 119   6.140  15.186  32.678
  893   HG22  THR 119          1HG2      THR 119   6.558  15.133  34.405
  894   HG23  THR 119          2HG2      THR 119   7.289  13.973  33.285
  895    H    TRP 120           H        TRP 120   5.646  10.688  34.354
  896    HA   TRP 120           HA       TRP 120   3.063   9.325  34.089
  897    HD1  TRP 120           HD1      TRP 120   7.050   9.114  32.284
  898    HE1  TRP 120           HE1      TRP 120   9.231   8.084  33.095
  899    HE3  TRP 120           HE3      TRP 120   5.137   5.652  35.536
  900    HZ2  TRP 120           HZ2      TRP 120  10.063   5.957  34.884
  901    HZ3  TRP 120           HZ3      TRP 120   6.656   4.132  36.777
  902    HH2  TRP 120           HH2      TRP 120   9.115   4.274  36.457
  903    HB2  TRP 120           2HB      TRP 120   4.069   7.167  33.716
  904    HB3  TRP 120           3HB      TRP 120   4.473   8.257  32.420
  905    H    ALA 121           H        ALA 121   2.762   7.601  35.677
  906    HA   ALA 121           HA       ALA 121   4.490   7.524  38.035
  907    HB1  ALA 121           3HB      ALA 121   2.563   7.897  39.571
  908    HB2  ALA 121           1HB      ALA 121   2.884   9.337  38.594
  909    HB3  ALA 121           2HB      ALA 121   1.522   8.265  38.180
  910    H    ASN 122           H        ASN 122   3.592   5.692  39.502
  911    HA   ASN 122           HA       ASN 122   2.014   3.637  38.088
  912    HB2  ASN 122           2HB      ASN 122   3.659   1.963  38.240
  913    HB3  ASN 122           3HB      ASN 122   4.452   3.322  37.463
  914   HD21  ASN 122          2HD2      ASN 122   5.579   0.987  39.041
  915   HD22  ASN 122          1HD2      ASN 122   6.533   1.735  40.305
  916    H    ASP 123           H        ASP 123   1.559   5.377  40.427
  917    HA   ASP 123           HA       ASP 123   2.206   4.203  42.892
  918    HB2  ASP 123           2HB      ASP 123   1.535   6.538  42.585
  919    HB3  ASP 123           3HB      ASP 123  -0.090   6.037  42.122
  920    H    GLY 124           H        GLY 124  -0.329   3.264  40.663
  921    HA2  GLY 124           2HA      GLY 124  -1.071   1.003  42.282
  922    HA3  GLY 124           3HA      GLY 124  -2.377   2.194  42.126
  923    H    TYR 125           H        TYR 125  -3.060  -0.082  41.023
  924    HA   TYR 125           HA       TYR 125  -2.138  -0.540  38.331
  925    HD1  TYR 125           HD1      TYR 125  -6.037  -1.117  37.876
  926    HD2  TYR 125           HD2      TYR 125  -4.425  -2.056  41.741
  927    HE1  TYR 125           HE1      TYR 125  -8.334  -1.015  38.836
  928    HE2  TYR 125           HE2      TYR 125  -6.704  -1.950  42.736
  929    HH   TYR 125           HH       TYR 125  -9.612  -1.218  40.773
  930    HB2  TYR 125           2HB      TYR 125  -3.812  -2.159  38.150
  931    HB3  TYR 125           3HB      TYR 125  -3.086  -2.321  39.736
  Start of MODEL    3
    1    HA   MET   1           HA       MET   1  -0.137  -7.632   4.470
    2    H1   MET   1           H1       MET   1  -1.960  -7.342   3.003
    3    H2   MET   1           H2       MET   1  -2.388  -8.452   4.133
    4    H3   MET   1           H3       MET   1  -1.997  -8.933   2.608
    5    HB2  MET   1           2HB      MET   1  -0.849  -9.991   5.119
    6    HB3  MET   1           3HB      MET   1  -0.089 -10.560   3.627
    7    HG2  MET   1           2HG      MET   1   2.077  -9.587   4.402
    8    HG3  MET   1           3HG      MET   1   1.273  -9.008   5.863
    9    HE1  MET   1           3HE      MET   1   3.857 -10.502   6.187
   10    HE2  MET   1           1HE      MET   1   2.855 -10.143   7.614
   11    HE3  MET   1           2HE      MET   1   3.518 -11.774   7.382
   12    H    ALA   2           H        ALA   2   1.602  -6.700   3.436
   13    HA   ALA   2           HA       ALA   2   2.414  -7.601   0.750
   14    HB1  ALA   2           3HB      ALA   2   0.550  -5.973   0.358
   15    HB2  ALA   2           1HB      ALA   2   1.416  -4.769   1.341
   16    HB3  ALA   2           2HB      ALA   2   2.104  -5.340  -0.195
   17    H    VAL   3           H        VAL   3   4.205  -5.600   0.148
   18    HA   VAL   3           HA       VAL   3   6.235  -5.789   2.162
   19    HB   VAL   3           HB       VAL   3   7.340  -4.037   0.756
   20   HG11  VAL   3          1HG1      VAL   3   6.463  -6.592  -0.665
   21   HG12  VAL   3          2HG1      VAL   3   7.885  -5.606  -1.068
   22   HG13  VAL   3          3HG1      VAL   3   7.804  -6.435   0.492
   23   HG21  VAL   3          3HG2      VAL   3   6.531  -3.554  -1.491
   24   HG22  VAL   3          1HG2      VAL   3   5.066  -4.514  -1.234
   25   HG23  VAL   3          2HG2      VAL   3   5.329  -3.012  -0.317
   26    H    ALA   4           H        ALA   4   6.892  -4.201   3.575
   27    HA   ALA   4           HA       ALA   4   5.413  -1.774   4.086
   28    HB1  ALA   4           3HB      ALA   4   4.626  -2.495   6.343
   29    HB2  ALA   4           1HB      ALA   4   3.842  -3.450   5.076
   30    HB3  ALA   4           2HB      ALA   4   5.182  -4.150   6.016
   31    H    ASP   5           H        ASP   5   6.386  -0.856   6.257
   32    HA   ASP   5           HA       ASP   5   8.872  -2.041   7.143
   33    HB2  ASP   5           2HB      ASP   5   9.652  -0.677   5.201
   34    HB3  ASP   5           3HB      ASP   5   8.859   0.744   5.884
   35    H    LEU   6           H        LEU   6   9.433  -1.078   9.237
   36    HA   LEU   6           HA       LEU   6   7.175  -0.418  10.800
   37    HG   LEU   6           HG       LEU   6   9.573  -2.422  10.939
   38    HB2  LEU   6           2HB      LEU   6  10.144  -0.026  11.373
   39    HB3  LEU   6           3HB      LEU   6   8.859   0.027  12.575
   40   HD11  LEU   6          1HD1      LEU   6  10.168  -1.707  13.837
   41   HD12  LEU   6          2HD1      LEU   6  10.486  -3.268  13.049
   42   HD13  LEU   6          3HD1      LEU   6  11.348  -1.822  12.513
   43   HD21  LEU   6          3HD2      LEU   6   7.214  -2.500  11.615
   44   HD22  LEU   6          1HD2      LEU   6   8.145  -3.629  12.596
   45   HD23  LEU   6          2HD2      LEU   6   7.646  -2.070  13.287
   46    H    ALA   7           H        ALA   7   9.384   1.714   9.033
   47    HA   ALA   7           HA       ALA   7   8.825   4.107  10.477
   48    HB1  ALA   7           3HB      ALA   7  10.681   3.868   8.852
   49    HB2  ALA   7           1HB      ALA   7   9.498   3.729   7.528
   50    HB3  ALA   7           2HB      ALA   7   9.633   5.242   8.447
   51    H    LEU   8           H        LEU   8   6.880   2.263   8.182
   52    HA   LEU   8           HA       LEU   8   5.170   4.496   7.400
   53    HG   LEU   8           HG       LEU   8   6.720   2.046   5.882
   54    HB2  LEU   8           2HB      LEU   8   4.679   1.498   7.171
   55    HB3  LEU   8           3HB      LEU   8   3.793   2.770   6.344
   56   HD11  LEU   8          1HD1      LEU   8   5.952   1.207   3.727
   57   HD12  LEU   8          2HD1      LEU   8   5.050   0.407   5.026
   58   HD13  LEU   8          3HD1      LEU   8   4.281   1.699   4.087
   59   HD21  LEU   8          3HD2      LEU   8   6.589   3.600   3.944
   60   HD22  LEU   8          1HD2      LEU   8   4.985   4.137   4.494
   61   HD23  LEU   8          2HD2      LEU   8   6.431   4.444   5.485
   62    H    ILE   9           H        ILE   9   5.319   2.272  10.101
   63    HA   ILE   9           HA       ILE   9   2.471   2.381  10.708
   64    HB   ILE   9           HB       ILE   9   4.900   1.146  12.024
   65   HG12  ILE   9          2HG1      ILE   9   2.339  -0.051  10.872
   66   HG13  ILE   9          3HG1      ILE   9   3.844   0.120   9.969
   67   HG21  ILE   9          1HG2      ILE   9   3.389   0.171  13.742
   68   HG22  ILE   9          2HG2      ILE   9   3.504   1.909  13.885
   69   HG23  ILE   9          3HG2      ILE   9   2.063   1.200  13.133
   70   HD11  ILE   9          3HD1      ILE   9   3.657  -2.143  10.754
   71   HD12  ILE   9          1HD1      ILE   9   5.003  -1.351  11.599
   72   HD13  ILE   9          2HD1      ILE   9   3.452  -1.616  12.428
   73    HA   PRO  10           HA       PRO  10   2.902   6.411  12.769
   74    HB2  PRO  10           2HB      PRO  10   0.400   5.386  14.131
   75    HB3  PRO  10           3HB      PRO  10   0.730   7.013  13.461
   76    HG2  PRO  10           2HG      PRO  10  -0.789   5.245  12.077
   77    HG3  PRO  10           3HG      PRO  10   0.446   6.230  11.223
   78    HD2  PRO  10           2HD      PRO  10   0.644   3.353  12.142
   79    HD3  PRO  10           3HD      PRO  10   1.147   4.089  10.591
   80    H    ASP  11           H        ASP  11   4.017   6.872  14.636
   81    HA   ASP  11           HA       ASP  11   4.850   4.609  16.222
   82    HB2  ASP  11           2HB      ASP  11   6.170   6.709  15.316
   83    HB3  ASP  11           3HB      ASP  11   5.627   7.470  16.818
   84    H    VAL  12           H        VAL  12   2.675   7.299  16.720
   85    HA   VAL  12           HA       VAL  12   1.802   6.270  19.339
   86    HB   VAL  12           HB       VAL  12   2.264   9.208  18.643
   87   HG11  VAL  12          1HG1      VAL  12   0.333   8.874  20.153
   88   HG12  VAL  12          2HG1      VAL  12   1.356   7.942  21.268
   89   HG13  VAL  12          3HG1      VAL  12   1.671   9.666  20.979
   90   HG21  VAL  12          3HG2      VAL  12   4.426   8.163  19.073
   91   HG22  VAL  12          1HG2      VAL  12   3.972   9.193  20.425
   92   HG23  VAL  12          2HG2      VAL  12   3.807   7.425  20.569
   93    H    ASP  13           H        ASP  13  -0.455   6.148  19.302
   94    HA   ASP  13           HA       ASP  13  -1.991   7.966  17.633
   95    HB2  ASP  13           2HB      ASP  13  -1.607   6.123  16.023
   96    HB3  ASP  13           3HB      ASP  13  -2.224   4.960  17.200
   97    H    ILE  14           H        ILE  14  -3.437   8.673  19.089
   98    HA   ILE  14           HA       ILE  14  -4.378   6.908  21.252
   99    HB   ILE  14           HB       ILE  14  -3.855   8.721  22.884
  100   HG12  ILE  14          2HG1      ILE  14  -2.043   9.833  20.702
  101   HG13  ILE  14          3HG1      ILE  14  -3.482  10.607  21.374
  102   HG21  ILE  14          1HG2      ILE  14  -1.635   7.893  23.326
  103   HG22  ILE  14          2HG2      ILE  14  -2.572   6.581  22.609
  104   HG23  ILE  14          3HG2      ILE  14  -1.393   7.461  21.621
  105   HD11  ILE  14          3HD1      ILE  14  -0.859  10.044  22.825
  106   HD12  ILE  14          1HD1      ILE  14  -1.535  11.613  22.376
  107   HD13  ILE  14          2HD1      ILE  14  -2.333  10.639  23.626
  108    H    ASP  15           H        ASP  15  -6.043   8.094  22.601
  109    HA   ASP  15           HA       ASP  15  -7.937   9.515  20.781
  110    HB2  ASP  15           2HB      ASP  15  -8.139   7.022  20.938
  111    HB3  ASP  15           3HB      ASP  15  -8.384   7.206  22.683
  112    H    SER  16           H        SER  16  -6.297  10.759  22.816
  113    HA   SER  16           HA       SER  16  -7.313  11.150  25.301
  114    HG   SER  16           HG       SER  16  -4.146  12.500  24.152
  115    HB2  SER  16           2HB      SER  16  -6.180  13.367  23.565
  116    HB3  SER  16           3HB      SER  16  -6.013  13.160  25.318
  117    H    ASP  17           H        ASP  17  -8.949  12.147  26.249
  118    HA   ASP  17           HA       ASP  17 -10.412  14.398  25.243
  119    HB2  ASP  17           2HB      ASP  17 -11.580  12.737  23.850
  120    HB3  ASP  17           3HB      ASP  17 -11.833  11.701  25.255
  121    H    GLY  18           H        GLY  18 -10.233  11.570  27.353
  122    HA2  GLY  18           2HA      GLY  18 -10.303  13.154  29.784
  123    HA3  GLY  18           3HA      GLY  18 -11.593  11.934  29.623
  124    H    VAL  19           H        VAL  19 -10.540  10.602  31.337
  125    HA   VAL  19           HA       VAL  19  -7.906   9.493  30.959
  126    HB   VAL  19           HB       VAL  19 -10.287   8.256  32.409
  127   HG11  VAL  19          1HG1      VAL  19  -7.277   7.843  32.733
  128   HG12  VAL  19          2HG1      VAL  19  -8.534   7.123  33.760
  129   HG13  VAL  19          3HG1      VAL  19  -8.429   6.673  32.055
  130   HG21  VAL  19          3HG2      VAL  19  -9.930  10.484  33.364
  131   HG22  VAL  19          1HG2      VAL  19  -9.340   9.258  34.482
  132   HG23  VAL  19          2HG2      VAL  19  -8.187  10.180  33.500
  133    H    PHE  20           H        PHE  20  -7.290   7.695  29.688
  134    HA   PHE  20           HA       PHE  20  -9.376   5.904  28.662
  135    HD1  PHE  20           HD2      PHE  20  -7.391   9.344  27.471
  136    HD2  PHE  20           HD1      PHE  20  -6.537   5.706  25.335
  137    HE1  PHE  20           HE2      PHE  20  -5.335  10.370  26.551
  138    HE2  PHE  20           HE1      PHE  20  -4.464   6.729  24.430
  139    HZ   PHE  20           HZ       PHE  20  -3.863   9.074  25.050
  140    HB2  PHE  20           2HB      PHE  20  -8.668   6.001  26.368
  141    HB3  PHE  20           3HB      PHE  20  -9.175   7.597  26.890
  142    H    LYS  21           H        LYS  21  -8.562   3.823  28.158
  143    HA   LYS  21           HA       LYS  21  -6.100   3.053  29.534
  144    HB2  LYS  21           2HB      LYS  21  -8.095   1.515  27.804
  145    HB3  LYS  21           3HB      LYS  21  -6.655   0.788  28.529
  146    HG2  LYS  21           2HG      LYS  21  -7.430   1.424  30.788
  147    HG3  LYS  21           3HG      LYS  21  -8.893   2.146  30.098
  148    HD2  LYS  21           2HD      LYS  21  -9.601  -0.062  29.233
  149    HD3  LYS  21           3HD      LYS  21  -8.113  -0.795  29.865
  150    HE2  LYS  21           2HE      LYS  21  -8.788   0.050  32.174
  151    HE3  LYS  21           3HE      LYS  21 -10.334   0.545  31.473
  152    HZ1  LYS  21           3HZ      LYS  21  -9.306  -2.230  31.636
  153    HZ2  LYS  21           1HZ      LYS  21 -10.550  -1.604  32.484
  154    HZ3  LYS  21           2HZ      LYS  21 -10.703  -1.816  30.873
  155    H    TYR  22           H        TYR  22  -4.184   2.282  28.534
  156    HA   TYR  22           HA       TYR  22  -3.970   2.448  25.624
  157    HD1  TYR  22           HD2      TYR  22  -1.826   4.094  29.091
  158    HD2  TYR  22           HD1      TYR  22  -0.346   3.475  25.101
  159    HE1  TYR  22           HE2      TYR  22   0.453   3.847  29.994
  160    HE2  TYR  22           HE1      TYR  22   1.959   3.233  25.988
  161    HH   TYR  22           HH       TYR  22   3.329   3.472  27.839
  162    HB2  TYR  22           2HB      TYR  22  -2.602   4.225  25.466
  163    HB3  TYR  22           3HB      TYR  22  -3.196   4.696  27.033
  164    H    VAL  23           H        VAL  23  -1.941   1.419  24.895
  165    HA   VAL  23           HA       VAL  23  -0.805  -0.513  26.811
  166    HB   VAL  23           HB       VAL  23  -2.821  -1.503  25.799
  167   HG11  VAL  23          1HG1      VAL  23  -2.928  -0.376  23.661
  168   HG12  VAL  23          2HG1      VAL  23  -1.421  -1.140  23.133
  169   HG13  VAL  23          3HG1      VAL  23  -2.868  -2.130  23.414
  170   HG21  VAL  23          3HG2      VAL  23  -1.874  -3.608  25.021
  171   HG22  VAL  23          1HG2      VAL  23  -0.277  -2.852  24.856
  172   HG23  VAL  23          2HG2      VAL  23  -1.034  -3.002  26.454
  173    H    LEU  24           H        LEU  24   1.225  -1.343  26.111
  174    HA   LEU  24           HA       LEU  24   2.652   0.384  24.127
  175    HG   LEU  24           HG       LEU  24   5.437  -0.942  25.147
  176    HB2  LEU  24           2HB      LEU  24   3.357   0.907  26.410
  177    HB3  LEU  24           3HB      LEU  24   3.582  -0.808  26.772
  178   HD11  LEU  24          1HD1      LEU  24   4.796   1.978  24.624
  179   HD12  LEU  24          2HD1      LEU  24   6.395   1.280  24.289
  180   HD13  LEU  24          3HD1      LEU  24   4.969   0.651  23.463
  181   HD21  LEU  24          3HD2      LEU  24   5.741   1.355  27.128
  182   HD22  LEU  24          1HD2      LEU  24   5.913  -0.389  27.477
  183   HD23  LEU  24          2HD2      LEU  24   7.058   0.413  26.397
  184    H    ILE  25           H        ILE  25   3.158  -0.832  22.385
  185    HA   ILE  25           HA       ILE  25   3.329  -3.803  22.718
  186    HB   ILE  25           HB       ILE  25   1.966  -2.179  20.526
  187   HG12  ILE  25          2HG1      ILE  25   0.739  -4.024  22.635
  188   HG13  ILE  25          3HG1      ILE  25   0.660  -2.265  22.666
  189   HG21  ILE  25          1HG2      ILE  25   2.108  -5.202  20.902
  190   HG22  ILE  25          2HG2      ILE  25   1.288  -4.334  19.576
  191   HG23  ILE  25          3HG2      ILE  25   3.025  -4.280  19.685
  192   HD11  ILE  25          3HD1      ILE  25  -0.634  -2.226  20.586
  193   HD12  ILE  25          1HD1      ILE  25  -0.627  -4.005  20.525
  194   HD13  ILE  25          2HD1      ILE  25  -1.432  -3.179  21.850
  195    H    ARG  26           H        ARG  26   4.939  -4.788  21.565
  196    HA   ARG  26           HA       ARG  26   6.864  -3.048  20.115
  197    HE   ARG  26           HE       ARG  26  10.486  -3.871  21.399
  198    HB2  ARG  26           2HB      ARG  26   7.875  -4.414  21.857
  199    HB3  ARG  26           3HB      ARG  26   7.091  -5.877  21.245
  200    HG2  ARG  26           2HG      ARG  26   8.417  -5.851  19.223
  201    HG3  ARG  26           3HG      ARG  26   9.068  -4.246  19.584
  202    HD2  ARG  26           2HD      ARG  26   9.521  -6.684  21.347
  203    HD3  ARG  26           3HD      ARG  26  10.633  -6.173  20.060
  204   HH11  ARG  26          1HH2      ARG  26  10.984  -7.128  22.782
  205   HH12  ARG  26          2HH2      ARG  26  11.861  -6.524  24.134
  206   HH21  ARG  26          1HH1      ARG  26  11.580  -3.132  23.022
  207   HH22  ARG  26          2HH1      ARG  26  12.245  -4.132  24.305
  208    H    VAL  27           H        VAL  27   7.035  -3.324  17.941
  209    HA   VAL  27           HA       VAL  27   5.281  -5.327  16.610
  210    HB   VAL  27           HB       VAL  27   6.385  -2.691  15.530
  211   HG11  VAL  27          1HG1      VAL  27   6.007  -4.338  13.760
  212   HG12  VAL  27          2HG1      VAL  27   4.388  -4.694  14.396
  213   HG13  VAL  27          3HG1      VAL  27   4.753  -3.104  13.684
  214   HG21  VAL  27          3HG2      VAL  27   4.701  -2.167  17.207
  215   HG22  VAL  27          1HG2      VAL  27   4.039  -1.884  15.595
  216   HG23  VAL  27          2HG2      VAL  27   3.570  -3.341  16.499
  217    H    HIS  28           H        HIS  28   6.320  -6.686  15.200
  218    HA   HIS  28           HA       HIS  28   9.276  -6.465  14.829
  219    HD1  HIS  28           HD1      HIS  28  10.499  -7.813  17.012
  220    HD2  HIS  28           HD2      HIS  28   6.635  -9.479  17.175
  221    HE1  HIS  28           HE1      HIS  28  10.103  -8.498  19.442
  222    HB2  HIS  28           2HB      HIS  28   7.510  -8.955  14.785
  223    HB3  HIS  28           3HB      HIS  28   9.262  -8.897  14.617
  224    H    SER  29           H        SER  29   9.824  -6.251  12.672
  225    HA   SER  29           HA       SER  29   7.703  -6.029  10.691
  226    HG   SER  29           HG       SER  29  11.178  -5.710  11.475
  227    HB2  SER  29           2HB      SER  29   9.597  -5.667   9.096
  228    HB3  SER  29           3HB      SER  29   9.521  -4.536  10.449
  229    H    ALA  30           H        ALA  30   7.185  -7.438   9.020
  230    HA   ALA  30           HA       ALA  30   8.822  -9.739   8.418
  231    HB1  ALA  30           3HB      ALA  30   7.542 -10.708  10.255
  232    HB2  ALA  30           1HB      ALA  30   6.012 -10.179   9.500
  233    HB3  ALA  30           2HB      ALA  30   7.039 -11.398   8.697
  234    HA   PRO  31           HA       PRO  31   6.312  -7.109   5.452
  235    HB2  PRO  31           2HB      PRO  31   8.761  -7.074   3.763
  236    HB3  PRO  31           3HB      PRO  31   7.788  -5.709   4.373
  237    HG2  PRO  31           2HG      PRO  31  10.273  -6.290   5.378
  238    HG3  PRO  31           3HG      PRO  31   8.956  -5.605   6.379
  239    HD2  PRO  31           2HD      PRO  31   9.845  -8.495   6.207
  240    HD3  PRO  31           3HD      PRO  31   9.412  -7.532   7.626
  241    H    ARG  32           H        ARG  32   5.354  -7.682   3.477
  242    HA   ARG  32           HA       ARG  32   4.602  -8.873   1.745
  243    HE   ARG  32           HE       ARG  32   6.544 -12.843   0.775
  244    HB2  ARG  32           2HB      ARG  32   6.960  -8.754   0.931
  245    HB3  ARG  32           3HB      ARG  32   7.286 -10.283   1.721
  246    HG2  ARG  32           2HG      ARG  32   5.146 -11.050   0.198
  247    HG3  ARG  32           3HG      ARG  32   5.724  -9.693  -0.771
  248    HD2  ARG  32           2HD      ARG  32   6.796 -11.715  -1.564
  249    HD3  ARG  32           3HD      ARG  32   8.023 -10.740  -0.736
  250   HH11  ARG  32          1HH2      ARG  32   9.658 -11.913  -0.673
  251   HH12  ARG  32          2HH2      ARG  32  10.559 -13.081   0.219
  252   HH21  ARG  32          1HH1      ARG  32   7.681 -14.349   1.904
  253   HH22  ARG  32          2HH1      ARG  32   9.403 -14.524   1.744
  254    H    SER  33           H        SER  33   6.458 -11.144   3.739
  255    HA   SER  33           HA       SER  33   4.296 -12.511   4.882
  256    HG   SER  33           HG       SER  33   5.317 -14.631   1.577
  257    HB2  SER  33           2HB      SER  33   4.642 -14.753   3.739
  258    HB3  SER  33           3HB      SER  33   3.763 -13.545   2.801
  259    H    GLY  34           H        GLY  34   7.639 -12.521   3.709
  260    HA2  GLY  34           2HA      GLY  34   8.810 -12.952   6.286
  261    HA3  GLY  34           3HA      GLY  34   8.852 -14.431   5.301
  262    H    ALA  35           H        ALA  35   9.113 -10.956   4.335
  263    HA   ALA  35           HA       ALA  35  11.331 -11.317   2.567
  264    HB1  ALA  35           3HB      ALA  35   9.750  -9.399   2.459
  265    HB2  ALA  35           1HB      ALA  35  10.332  -8.843   4.047
  266    HB3  ALA  35           2HB      ALA  35  11.414  -8.826   2.652
  267    HA   PRO  36           HA       PRO  36  14.651 -11.437   5.502
  268    HB2  PRO  36           2HB      PRO  36  16.812 -10.509   4.122
  269    HB3  PRO  36           3HB      PRO  36  15.924 -11.981   3.650
  270    HG2  PRO  36           2HG      PRO  36  15.538  -9.177   2.547
  271    HG3  PRO  36           3HG      PRO  36  15.819 -10.693   1.631
  272    HD2  PRO  36           2HD      PRO  36  13.319  -9.723   2.049
  273    HD3  PRO  36           3HD      PRO  36  13.643 -11.480   2.077
  274    H    ALA  37           H        ALA  37  13.119  -9.638   6.541
  275    HA   ALA  37           HA       ALA  37  14.976  -7.693   7.696
  276    HB1  ALA  37           3HB      ALA  37  13.271  -5.884   7.618
  277    HB2  ALA  37           1HB      ALA  37  13.803  -6.339   5.982
  278    HB3  ALA  37           2HB      ALA  37  12.234  -6.905   6.601
  279    H    ALA  38           H        ALA  38  14.643  -7.649   9.877
  280    HA   ALA  38           HA       ALA  38  12.167  -8.665  11.094
  281    HB1  ALA  38           3HB      ALA  38  14.903  -9.947  11.575
  282    HB2  ALA  38           1HB      ALA  38  13.388 -10.361  12.409
  283    HB3  ALA  38           2HB      ALA  38  13.558 -10.693  10.679
  284    H    GLU  39           H        GLU  39  13.407  -6.073  10.912
  285    HA   GLU  39           HA       GLU  39  14.655  -5.361  13.458
  286    HB2  GLU  39           2HB      GLU  39  13.208  -3.705  11.333
  287    HB3  GLU  39           3HB      GLU  39  14.067  -3.038  12.719
  288    HG2  GLU  39           2HG      GLU  39  15.316  -4.633  10.439
  289    HG3  GLU  39           3HG      GLU  39  15.403  -2.894  10.664
  290    H    SER  40           H        SER  40  13.441  -3.940  15.031
  291    HA   SER  40           HA       SER  40  10.523  -4.344  15.095
  292    HG   SER  40           HG       SER  40  12.545  -6.588  15.869
  293    HB2  SER  40           2HB      SER  40  12.300  -4.967  17.470
  294    HB3  SER  40           3HB      SER  40  10.559  -5.194  17.363
  295    H    LYS  41           H        LYS  41   9.512  -2.911  16.727
  296    HA   LYS  41           HA       LYS  41  11.123  -0.891  18.027
  297    HB2  LYS  41           2HB      LYS  41  10.211   1.072  17.094
  298    HB3  LYS  41           3HB      LYS  41  10.810   0.135  15.737
  299    HG2  LYS  41           2HG      LYS  41   8.520  -0.495  15.095
  300    HG3  LYS  41           3HG      LYS  41   7.863   0.250  16.563
  301    HD2  LYS  41           2HD      LYS  41   8.757   2.451  15.858
  302    HD3  LYS  41           3HD      LYS  41   9.308   1.739  14.333
  303    HE2  LYS  41           2HE      LYS  41   7.010   1.256  13.664
  304    HE3  LYS  41           3HE      LYS  41   6.408   1.682  15.276
  305    HZ1  LYS  41           3HZ      LYS  41   6.076   3.493  13.689
  306    HZ2  LYS  41           1HZ      LYS  41   7.128   3.946  14.903
  307    HZ3  LYS  41           2HZ      LYS  41   7.663   3.565  13.387
  308    H    GLU  42           H        GLU  42   9.567   0.599  19.363
  309    HA   GLU  42           HA       GLU  42   7.206  -0.994  20.252
  310    HB2  GLU  42           2HB      GLU  42   8.712   1.263  21.636
  311    HB3  GLU  42           3HB      GLU  42   7.228   0.517  22.207
  312    HG2  GLU  42           2HG      GLU  42   8.929  -0.508  23.446
  313    HG3  GLU  42           3HG      GLU  42   8.393  -1.697  22.259
  314    H    ILE  43           H        ILE  43   5.189   0.084  20.468
  315    HA   ILE  43           HA       ILE  43   4.940   2.825  19.368
  316    HB   ILE  43           HB       ILE  43   2.889   2.163  18.173
  317   HG12  ILE  43          2HG1      ILE  43   3.721  -0.729  18.629
  318   HG13  ILE  43          3HG1      ILE  43   2.392   0.061  19.460
  319   HG21  ILE  43          1HG2      ILE  43   3.974   1.346  16.198
  320   HG22  ILE  43          2HG2      ILE  43   5.135   2.357  17.065
  321   HG23  ILE  43          3HG2      ILE  43   5.274   0.586  17.145
  322   HD11  ILE  43          3HD1      ILE  43   1.178   0.374  17.378
  323   HD12  ILE  43          1HD1      ILE  43   2.495  -0.361  16.448
  324   HD13  ILE  43          2HD1      ILE  43   1.594  -1.330  17.623
  325    H    VAL  44           H        VAL  44   3.107   3.956  20.111
  326    HA   VAL  44           HA       VAL  44   1.958   2.937  22.685
  327    HB   VAL  44           HB       VAL  44   2.241   5.781  21.617
  328   HG11  VAL  44          1HG1      VAL  44   1.680   6.538  23.855
  329   HG12  VAL  44          2HG1      VAL  44   0.381   5.482  23.293
  330   HG13  VAL  44          3HG1      VAL  44   1.589   4.882  24.452
  331   HG21  VAL  44          3HG2      VAL  44   3.997   6.080  23.343
  332   HG22  VAL  44          1HG2      VAL  44   3.921   4.337  23.710
  333   HG23  VAL  44          2HG2      VAL  44   4.482   4.905  22.121
  334    H    ARG  45           H        ARG  45  -0.231   2.476  22.662
  335    HA   ARG  45           HA       ARG  45  -1.974   3.536  20.478
  336    HE   ARG  45           HE       ARG  45  -0.694   3.425  18.874
  337    HB2  ARG  45           2HB      ARG  45  -1.788   0.682  21.560
  338    HB3  ARG  45           3HB      ARG  45  -3.011   1.247  20.442
  339    HG2  ARG  45           2HG      ARG  45  -0.029   1.077  19.799
  340    HG3  ARG  45           3HG      ARG  45  -1.205  -0.163  19.459
  341    HD2  ARG  45           2HD      ARG  45  -1.163   0.865  17.424
  342    HD3  ARG  45           3HD      ARG  45  -2.509   1.742  18.161
  343   HH11  ARG  45          1HH2      ARG  45  -0.552   1.840  15.671
  344   HH12  ARG  45          2HH2      ARG  45   0.873   2.738  15.218
  345   HH21  ARG  45          1HH1      ARG  45   1.142   4.425  18.285
  346   HH22  ARG  45          2HH1      ARG  45   1.801   4.237  16.664
  347    H    GLY  46           H        GLY  46  -4.094   4.087  21.356
  348    HA2  GLY  46           2HA      GLY  46  -5.062   2.718  23.673
  349    HA3  GLY  46           3HA      GLY  46  -4.473   4.315  24.141
  350    H    TYR  47           H        TYR  47  -7.235   2.809  23.565
  351    HA   TYR  47           HA       TYR  47  -8.575   5.155  22.357
  352    HD1  TYR  47           HD1      TYR  47  -8.197   5.245  19.373
  353    HD2  TYR  47           HD2      TYR  47  -6.964   1.427  20.944
  354    HE1  TYR  47           HE1      TYR  47  -6.346   5.179  17.737
  355    HE2  TYR  47           HE2      TYR  47  -5.112   1.340  19.293
  356    HH   TYR  47           HH       TYR  47  -4.566   3.968  16.899
  357    HB2  TYR  47           2HB      TYR  47  -9.129   2.320  21.499
  358    HB3  TYR  47           3HB      TYR  47  -9.732   3.815  20.790
  359    H    LYS  48           H        LYS  48 -10.677   5.509  23.123
  360    HA   LYS  48           HA       LYS  48 -11.220   4.333  25.689
  361    HB2  LYS  48           2HB      LYS  48 -12.851   6.198  23.913
  362    HB3  LYS  48           3HB      LYS  48 -13.337   5.720  25.545
  363    HG2  LYS  48           2HG      LYS  48 -11.226   6.591  26.467
  364    HG3  LYS  48           3HG      LYS  48 -10.732   7.158  24.872
  365    HD2  LYS  48           2HD      LYS  48 -13.083   8.126  26.543
  366    HD3  LYS  48           3HD      LYS  48 -11.588   8.995  26.227
  367    HE2  LYS  48           2HE      LYS  48 -13.784   8.335  24.219
  368    HE3  LYS  48           3HE      LYS  48 -13.403   9.918  24.898
  369    HZ1  LYS  48           3HZ      LYS  48 -11.723   8.343  23.030
  370    HZ2  LYS  48           1HZ      LYS  48 -12.450   9.770  22.732
  371    HZ3  LYS  48           2HZ      LYS  48 -11.174   9.689  23.759
  372    H    TRP  49           H        TRP  49 -12.283   3.315  22.483
  373    HA   TRP  49           HA       TRP  49 -14.717   2.103  23.362
  374    HD1  TRP  49           HD1      TRP  49 -13.101   3.649  19.526
  375    HE1  TRP  49           HE1      TRP  49 -10.900   3.161  18.323
  376    HE3  TRP  49           HE3      TRP  49 -12.025  -0.954  21.557
  377    HZ2  TRP  49           HZ2      TRP  49  -8.805   1.220  18.457
  378    HZ3  TRP  49           HZ3      TRP  49  -9.831  -2.008  21.116
  379    HH2  TRP  49           HH2      TRP  49  -8.199  -0.920  19.591
  380    HB2  TRP  49           2HB      TRP  49 -14.485   0.750  21.218
  381    HB3  TRP  49           3HB      TRP  49 -14.644   2.486  21.105
  382    H    ALA  50           H        ALA  50 -11.375   1.000  23.720
  383    HA   ALA  50           HA       ALA  50 -12.037  -1.793  23.909
  384    HB1  ALA  50           3HB      ALA  50  -9.779  -0.994  23.347
  385    HB2  ALA  50           1HB      ALA  50  -9.619  -0.267  24.962
  386    HB3  ALA  50           2HB      ALA  50  -9.767  -2.030  24.779
  387    H    GLU  51           H        GLU  51 -13.021  -2.805  25.552
  388    HA   GLU  51           HA       GLU  51 -13.438  -1.595  28.159
  389    HB2  GLU  51           2HB      GLU  51 -13.805  -4.451  27.152
  390    HB3  GLU  51           3HB      GLU  51 -14.272  -3.879  28.762
  391    HG2  GLU  51           2HG      GLU  51 -15.786  -2.197  27.718
  392    HG3  GLU  51           3HG      GLU  51 -15.382  -2.831  26.122
  393    H    TYR  52           H        TYR  52 -10.996  -3.705  26.705
  394    HA   TYR  52           HA       TYR  52  -9.351  -3.611  29.155
  395    HD1  TYR  52           HD2      TYR  52  -9.559  -5.483  31.326
  396    HD2  TYR  52           HD1      TYR  52 -12.467  -6.383  28.265
  397    HE1  TYR  52           HE2      TYR  52 -11.272  -5.876  33.072
  398    HE2  TYR  52           HE1      TYR  52 -14.183  -6.778  29.999
  399    HH   TYR  52           HH       TYR  52 -14.648  -6.809  32.284
  400    HB2  TYR  52           2HB      TYR  52 -10.120  -6.182  27.699
  401    HB3  TYR  52           3HB      TYR  52  -8.901  -6.054  28.954
  402    H    HIS  53           H        HIS  53  -7.145  -3.900  28.714
  403    HA   HIS  53           HA       HIS  53  -6.131  -2.797  26.404
  404    HD2  HIS  53           HD2      HIS  53  -3.528  -1.219  28.106
  405    HE1  HIS  53           HE1      HIS  53  -6.074  -1.180  31.511
  406    HE2  HIS  53           HE2      HIS  53  -4.347   0.160  30.183
  407    HB2  HIS  53           2HB      HIS  53  -4.758  -4.727  28.329
  408    HB3  HIS  53           3HB      HIS  53  -3.950  -3.595  27.242
  409    H    ALA  54           H        ALA  54  -6.780  -6.224  27.034
  410    HA   ALA  54           HA       ALA  54  -5.267  -7.364  24.951
  411    HB1  ALA  54           3HB      ALA  54  -6.306  -8.670  26.769
  412    HB2  ALA  54           1HB      ALA  54  -7.925  -8.286  26.131
  413    HB3  ALA  54           2HB      ALA  54  -6.802  -9.279  25.179
  414    H    ASP  55           H        ASP  55  -8.408  -5.634  24.808
  415    HA   ASP  55           HA       ASP  55  -9.092  -6.658  22.189
  416    HB2  ASP  55           2HB      ASP  55 -10.676  -5.504  23.884
  417    HB3  ASP  55           3HB      ASP  55  -9.999  -3.986  23.311
  418    H    ILE  56           H        ILE  56  -7.353  -3.782  23.423
  419    HA   ILE  56           HA       ILE  56  -6.964  -2.543  20.873
  420    HB   ILE  56           HB       ILE  56  -5.112  -2.308  23.281
  421   HG12  ILE  56          2HG1      ILE  56  -7.564  -0.595  22.741
  422   HG13  ILE  56          3HG1      ILE  56  -7.466  -1.867  23.971
  423   HG21  ILE  56          1HG2      ILE  56  -5.718  -0.523  20.875
  424   HG22  ILE  56          2HG2      ILE  56  -4.699  -0.014  22.232
  425   HG23  ILE  56          3HG2      ILE  56  -4.197  -1.361  21.220
  426   HD11  ILE  56          3HD1      ILE  56  -5.587  -0.655  25.075
  427   HD12  ILE  56          1HD1      ILE  56  -5.863   0.701  23.957
  428   HD13  ILE  56          2HD1      ILE  56  -7.134   0.214  25.079
  429    H    TYR  57           H        TYR  57  -4.865  -4.739  22.863
  430    HA   TYR  57           HA       TYR  57  -2.770  -4.951  20.999
  431    HD1  TYR  57           HD1      TYR  57  -0.452  -6.128  21.592
  432    HD2  TYR  57           HD2      TYR  57  -3.442  -9.140  22.360
  433    HE1  TYR  57           HE1      TYR  57   1.041  -7.846  20.635
  434    HE2  TYR  57           HE2      TYR  57  -1.932 -10.876  21.447
  435    HH   TYR  57           HH       TYR  57   1.247 -10.120  19.968
  436    HB2  TYR  57           2HB      TYR  57  -2.510  -5.796  23.238
  437    HB3  TYR  57           3HB      TYR  57  -3.852  -6.918  23.028
  438    H    ASP  58           H        ASP  58  -5.814  -6.901  21.161
  439    HA   ASP  58           HA       ASP  58  -5.124  -8.634  19.023
  440    HB2  ASP  58           2HB      ASP  58  -6.939  -9.146  20.553
  441    HB3  ASP  58           3HB      ASP  58  -7.848  -7.729  20.016
  442    H    LYS  59           H        LYS  59  -6.996  -5.548  19.000
  443    HA   LYS  59           HA       LYS  59  -7.571  -5.456  16.218
  444    HB2  LYS  59           2HB      LYS  59  -6.978  -3.215  18.210
  445    HB3  LYS  59           3HB      LYS  59  -7.576  -2.927  16.588
  446    HG2  LYS  59           2HG      LYS  59  -9.189  -4.864  18.181
  447    HG3  LYS  59           3HG      LYS  59  -9.101  -3.223  18.838
  448    HD2  LYS  59           2HD      LYS  59  -9.929  -2.281  16.724
  449    HD3  LYS  59           3HD      LYS  59  -9.918  -3.885  15.981
  450    HE2  LYS  59           2HE      LYS  59 -12.181  -3.242  16.605
  451    HE3  LYS  59           3HE      LYS  59 -11.665  -4.668  17.512
  452    HZ1  LYS  59           3HZ      LYS  59 -12.840  -2.946  18.828
  453    HZ2  LYS  59           1HZ      LYS  59 -11.404  -3.362  19.463
  454    HZ3  LYS  59           2HZ      LYS  59 -11.559  -1.938  18.648
  455    H    VAL  60           H        VAL  60  -4.782  -4.159  18.059
  456    HA   VAL  60           HA       VAL  60  -3.607  -2.977  15.782
  457    HB   VAL  60           HB       VAL  60  -2.538  -3.696  18.538
  458   HG11  VAL  60          1HG1      VAL  60  -1.186  -1.901  16.476
  459   HG12  VAL  60          2HG1      VAL  60  -0.677  -2.133  18.161
  460   HG13  VAL  60          3HG1      VAL  60  -0.583  -3.477  17.024
  461   HG21  VAL  60          3HG2      VAL  60  -3.227  -0.955  17.372
  462   HG22  VAL  60          1HG2      VAL  60  -4.411  -1.921  18.248
  463   HG23  VAL  60          2HG2      VAL  60  -2.960  -1.400  19.078
  464    H    SER  61           H        SER  61  -2.999  -6.165  17.419
  465    HA   SER  61           HA       SER  61  -0.876  -7.019  15.767
  466    HG   SER  61           HG       SER  61  -2.151  -7.575  18.596
  467    HB2  SER  61           2HB      SER  61  -3.106  -8.715  16.973
  468    HB3  SER  61           3HB      SER  61  -1.518  -9.283  16.424
  469    H    GLY  62           H        GLY  62  -4.434  -7.245  15.265
  470    HA2  GLY  62           2HA      GLY  62  -4.398  -8.682  12.821
  471    HA3  GLY  62           3HA      GLY  62  -5.654  -7.547  13.362
  472    H    ASP  63           H        ASP  63  -4.306  -5.104  13.454
  473    HA   ASP  63           HA       ASP  63  -4.329  -4.373  10.709
  474    HB2  ASP  63           2HB      ASP  63  -4.823  -2.808  12.578
  475    HB3  ASP  63           3HB      ASP  63  -3.110  -2.802  13.010
  476    H    MET  64           H        MET  64  -1.546  -4.815  12.987
  477    HA   MET  64           HA       MET  64   0.452  -4.126  11.110
  478    HB2  MET  64           2HB      MET  64   0.427  -5.758  13.659
  479    HB3  MET  64           3HB      MET  64   1.840  -5.804  12.612
  480    HG2  MET  64           2HG      MET  64   2.238  -4.078  14.198
  481    HG3  MET  64           3HG      MET  64   1.953  -3.313  12.642
  482    HE1  MET  64           3HE      MET  64   1.372  -0.908  13.446
  483    HE2  MET  64           1HE      MET  64   0.171  -1.484  12.258
  484    HE3  MET  64           2HE      MET  64  -0.357  -0.587  13.707
  485    H    GLN  65           H        GLN  65  -1.132  -7.298  11.731
  486    HA   GLN  65           HA       GLN  65   0.524  -8.763   9.902
  487    HB2  GLN  65           2HB      GLN  65  -2.243  -9.190  11.062
  488    HB3  GLN  65           3HB      GLN  65  -1.474 -10.357   9.980
  489    HG2  GLN  65           2HG      GLN  65   0.358 -10.738  11.494
  490    HG3  GLN  65           3HG      GLN  65  -0.082  -9.375  12.504
  491   HE21  GLN  65          2HE2      GLN  65   0.048 -11.037  14.309
  492   HE22  GLN  65          1HE2      GLN  65  -1.382 -12.002  14.592
  493    H    LYS  66           H        LYS  66  -2.413  -6.764   9.419
  494    HA   LYS  66           HA       LYS  66  -2.698  -7.504   6.652
  495    HB2  LYS  66           2HB      LYS  66  -3.642  -5.011   8.130
  496    HB3  LYS  66           3HB      LYS  66  -3.993  -5.355   6.440
  497    HG2  LYS  66           2HG      LYS  66  -5.164  -7.408   7.027
  498    HG3  LYS  66           3HG      LYS  66  -4.765  -7.185   8.736
  499    HD2  LYS  66           2HD      LYS  66  -6.044  -5.055   8.766
  500    HD3  LYS  66           3HD      LYS  66  -6.461  -5.292   7.051
  501    HE2  LYS  66           2HE      LYS  66  -7.557  -7.448   7.630
  502    HE3  LYS  66           3HE      LYS  66  -7.151  -7.197   9.333
  503    HZ1  LYS  66           3HZ      LYS  66  -8.936  -5.453   7.727
  504    HZ2  LYS  66           1HZ      LYS  66  -9.420  -6.531   8.854
  505    HZ3  LYS  66           2HZ      LYS  66  -8.564  -5.218   9.307
  506    H    GLN  67           H        GLN  67  -0.657  -5.119   8.339
  507    HA   GLN  67           HA       GLN  67   0.192  -3.819   5.898
  508    HB2  GLN  67           2HB      GLN  67   1.772  -3.915   8.503
  509    HB3  GLN  67           3HB      GLN  67   1.943  -2.782   7.180
  510    HG2  GLN  67           2HG      GLN  67  -0.313  -2.969   9.183
  511    HG3  GLN  67           3HG      GLN  67   0.892  -1.714   9.067
  512   HE21  GLN  67          2HE2      GLN  67  -1.965  -1.315   9.134
  513   HE22  GLN  67          1HE2      GLN  67  -2.418  -0.579   7.605
  514    H    GLY  68           H        GLY  68   1.891  -5.993   8.122
  515    HA2  GLY  68           2HA      GLY  68   3.032  -7.975   6.751
  516    HA3  GLY  68           3HA      GLY  68   3.935  -6.601   6.078
  517    H    CYS  69           H        CYS  69   2.692  -7.181   9.436
  518    HA   CYS  69           HA       CYS  69   5.389  -7.396  10.576
  519    HG   CYS  69           HG       CYS  69   5.267  -5.077   9.023
  520    HB2  CYS  69           2HB      CYS  69   3.377  -5.156  11.115
  521    HB3  CYS  69           3HB      CYS  69   4.699  -5.566  12.217
  522    H    ASP  70           H        ASP  70   4.956  -7.689  13.101
  523    HA   ASP  70           HA       ASP  70   2.275  -8.709  13.747
  524    HB2  ASP  70           2HB      ASP  70   3.544 -10.704  12.916
  525    HB3  ASP  70           3HB      ASP  70   4.758 -10.418  14.170
  526    H    CYS  71           H        CYS  71   2.234  -9.141  16.263
  527    HA   CYS  71           HA       CYS  71   3.886  -7.001  17.550
  528    HG   CYS  71           HG       CYS  71   1.670  -6.359  15.457
  529    HB2  CYS  71           2HB      CYS  71   0.888  -7.506  17.693
  530    HB3  CYS  71           3HB      CYS  71   1.762  -6.401  18.750
  531    H    GLU  72           H        GLU  72   4.191  -7.122  19.789
  532    HA   GLU  72           HA       GLU  72   3.018  -9.337  21.328
  533    HB2  GLU  72           2HB      GLU  72   5.222 -10.170  20.656
  534    HB3  GLU  72           3HB      GLU  72   5.980  -8.637  21.104
  535    HG2  GLU  72           2HG      GLU  72   6.421 -10.294  22.803
  536    HG3  GLU  72           3HG      GLU  72   5.424  -9.005  23.455
  537    H    CYS  73           H        CYS  73   2.573  -8.604  23.454
  538    HA   CYS  73           HA       CYS  73   2.517  -5.650  23.755
  539    HG   CYS  73           HG       CYS  73  -0.177  -6.038  26.574
  540    HB2  CYS  73           2HB      CYS  73   0.533  -7.170  24.291
  541    HB3  CYS  73           3HB      CYS  73   1.487  -7.784  25.666
  542    H    LEU  74           H        LEU  74   3.714  -4.534  25.269
  543    HA   LEU  74           HA       LEU  74   5.751  -6.064  26.842
  544    HG   LEU  74           HG       LEU  74   6.274  -4.300  24.115
  545    HB2  LEU  74           2HB      LEU  74   5.667  -3.105  26.150
  546    HB3  LEU  74           3HB      LEU  74   6.924  -3.931  27.064
  547   HD11  LEU  74          1HD1      LEU  74   8.582  -3.388  23.837
  548   HD12  LEU  74          2HD1      LEU  74   7.500  -2.247  24.654
  549   HD13  LEU  74          3HD1      LEU  74   8.696  -3.166  25.591
  550   HD21  LEU  74          3HD2      LEU  74   8.362  -5.753  25.806
  551   HD22  LEU  74          1HD2      LEU  74   6.977  -6.488  24.966
  552   HD23  LEU  74          2HD2      LEU  74   8.287  -5.778  24.029
  553    H    GLY  75           H        GLY  75   2.827  -4.141  27.056
  554    HA2  GLY  75           2HA      GLY  75   2.122  -4.681  29.624
  555    HA3  GLY  75           3HA      GLY  75   3.243  -3.338  29.842
  556    H    GLY  76           H        GLY  76   0.914  -2.585  30.714
  557    HA2  GLY  76           2HA      GLY  76   0.043  -0.625  28.736
  558    HA3  GLY  76           3HA      GLY  76  -1.206  -1.791  29.185
  559    H    GLY  77           H        GLY  77  -1.906   0.621  29.690
  560    HA2  GLY  77           2HA      GLY  77  -2.054   1.024  32.535
  561    HA3  GLY  77           3HA      GLY  77  -0.890   2.114  31.760
  562    H    ARG  78           H        ARG  78  -2.065   3.985  31.959
  563    HA   ARG  78           HA       ARG  78  -4.464   4.375  30.283
  564    HE   ARG  78           HE       ARG  78  -6.747   2.069  34.879
  565    HB2  ARG  78           2HB      ARG  78  -4.214   5.049  33.253
  566    HB3  ARG  78           3HB      ARG  78  -5.436   5.764  32.199
  567    HG2  ARG  78           2HG      ARG  78  -6.475   3.588  31.810
  568    HG3  ARG  78           3HG      ARG  78  -5.204   2.781  32.745
  569    HD2  ARG  78           2HD      ARG  78  -5.859   4.206  34.729
  570    HD3  ARG  78           3HD      ARG  78  -7.236   4.795  33.804
  571   HH11  ARG  78          1HH2      ARG  78  -9.007   4.183  33.132
  572   HH12  ARG  78          2HH2      ARG  78 -10.386   3.188  33.423
  573   HH21  ARG  78          1HH1      ARG  78  -8.563   0.759  35.284
  574   HH22  ARG  78          2HH1      ARG  78 -10.125   1.197  34.692
  575    H    ILE  79           H        ILE  79  -4.806   6.696  29.941
  576    HA   ILE  79           HA       ILE  79  -2.514   8.437  30.556
  577    HB   ILE  79           HB       ILE  79  -3.831   8.111  27.844
  578   HG12  ILE  79          2HG1      ILE  79  -1.010   7.543  28.792
  579   HG13  ILE  79          3HG1      ILE  79  -2.203   6.374  28.267
  580   HG21  ILE  79          1HG2      ILE  79  -3.373  10.512  28.291
  581   HG22  ILE  79          2HG2      ILE  79  -1.687  10.119  28.692
  582   HG23  ILE  79          3HG2      ILE  79  -2.313   9.911  27.040
  583   HD11  ILE  79          3HD1      ILE  79  -2.106   7.296  25.961
  584   HD12  ILE  79          1HD1      ILE  79  -0.785   8.376  26.484
  585   HD13  ILE  79          2HD1      ILE  79  -0.567   6.626  26.539
  586    H    SER  80           H        SER  80  -3.203  10.586  30.985
  587    HA   SER  80           HA       SER  80  -6.053  11.297  30.772
  588    HG   SER  80           HG       SER  80  -4.587  10.675  34.534
  589    HB2  SER  80           2HB      SER  80  -6.147  11.701  33.248
  590    HB3  SER  80           3HB      SER  80  -5.990   9.993  32.818
  591    H    HIS  81           H        HIS  81  -6.338  13.533  31.899
  592    HA   HIS  81           HA       HIS  81  -4.007  15.217  32.191
  593    HD1  HIS  81           HD1      HIS  81  -6.100  18.720  30.916
  594    HD2  HIS  81           HD2      HIS  81  -2.461  16.831  29.951
  595    HE1  HIS  81           HE1      HIS  81  -4.403  20.553  30.587
  596    HB2  HIS  81           2HB      HIS  81  -4.704  15.359  29.704
  597    HB3  HIS  81           3HB      HIS  81  -6.221  16.052  30.252
  598    H    GLN  82           H        GLN  82  -4.675  17.035  33.567
  599    HA   GLN  82           HA       GLN  82  -7.472  16.844  34.641
  600    HB2  GLN  82           2HB      GLN  82  -4.984  17.403  36.269
  601    HB3  GLN  82           3HB      GLN  82  -6.619  17.171  36.869
  602    HG2  GLN  82           2HG      GLN  82  -6.569  14.798  36.177
  603    HG3  GLN  82           3HG      GLN  82  -4.925  15.000  35.550
  604   HE21  GLN  82          2HE2      GLN  82  -3.340  16.068  37.226
  605   HE22  GLN  82          1HE2      GLN  82  -3.436  15.479  38.875
  606    H    SER  83           H        SER  83  -5.129  18.883  33.225
  607    HA   SER  83           HA       SER  83  -4.905  21.085  32.922
  608    HG   SER  83           HG       SER  83  -8.028  20.612  31.202
  609    HB2  SER  83           2HB      SER  83  -7.897  21.182  33.414
  610    HB3  SER  83           3HB      SER  83  -6.933  22.252  32.383
  611    H    GLN  84           H        GLN  84  -4.672  20.180  35.789
  612    HA   GLN  84           HA       GLN  84  -4.512  22.818  37.017
  613    HB2  GLN  84           2HB      GLN  84  -6.003  22.382  38.870
  614    HB3  GLN  84           3HB      GLN  84  -6.890  22.162  37.371
  615    HG2  GLN  84           2HG      GLN  84  -6.286  19.599  37.691
  616    HG3  GLN  84           3HG      GLN  84  -5.962  20.067  39.354
  617   HE21  GLN  84          2HE2      GLN  84  -8.431  19.749  36.836
  618   HE22  GLN  84          1HE2      GLN  84  -9.821  19.895  37.901
  619    H    ASP  85           H        ASP  85  -3.603  19.456  36.845
  620    HA   ASP  85           HA       ASP  85  -1.430  19.709  38.745
  621    HB2  ASP  85           2HB      ASP  85  -3.200  19.159  40.318
  622    HB3  ASP  85           3HB      ASP  85  -3.876  17.951  39.231
  623    H    LYS  86           H        LYS  86   0.094  18.011  38.259
  624    HA   LYS  86           HA       LYS  86   1.293  16.798  36.757
  625    HB2  LYS  86           2HB      LYS  86  -1.313  15.359  36.106
  626    HB3  LYS  86           3HB      LYS  86   0.309  14.807  35.746
  627    HG2  LYS  86           2HG      LYS  86  -0.890  15.087  38.518
  628    HG3  LYS  86           3HG      LYS  86  -0.603  13.599  37.620
  629    HD2  LYS  86           2HD      LYS  86   1.876  14.141  37.642
  630    HD3  LYS  86           3HD      LYS  86   1.506  15.505  38.723
  631    HE2  LYS  86           2HE      LYS  86   0.463  13.937  40.340
  632    HE3  LYS  86           3HE      LYS  86   0.820  12.581  39.260
  633    HZ1  LYS  86           3HZ      LYS  86   2.469  12.785  41.008
  634    HZ2  LYS  86           1HZ      LYS  86   3.179  13.038  39.557
  635    HZ3  LYS  86           2HZ      LYS  86   2.855  14.305  40.551
  636    H    LYS  87           H        LYS  87   0.663  15.795  34.145
  637    HA   LYS  87           HA       LYS  87  -0.411  18.088  32.671
  638    HB2  LYS  87           2HB      LYS  87   2.356  17.816  32.951
  639    HB3  LYS  87           3HB      LYS  87   2.088  16.993  31.426
  640    HG2  LYS  87           2HG      LYS  87   1.124  19.793  32.194
  641    HG3  LYS  87           3HG      LYS  87   2.524  19.445  31.188
  642    HD2  LYS  87           2HD      LYS  87   1.107  18.485  29.439
  643    HD3  LYS  87           3HD      LYS  87  -0.319  18.605  30.482
  644    HE2  LYS  87           2HE      LYS  87   0.106  21.121  30.598
  645    HE3  LYS  87           3HE      LYS  87   1.257  20.893  29.265
  646    HZ1  LYS  87           3HZ      LYS  87  -1.004  21.489  28.549
  647    HZ2  LYS  87           1HZ      LYS  87  -0.508  20.077  27.898
  648    HZ3  LYS  87           2HZ      LYS  87  -1.587  20.069  29.148
  649    H    ILE  88           H        ILE  88   0.661  16.385  30.160
  650    HA   ILE  88           HA       ILE  88  -1.641  14.557  30.037
  651    HB   ILE  88           HB       ILE  88   0.898  14.790  28.354
  652   HG12  ILE  88          2HG1      ILE  88  -0.693  16.696  28.079
  653   HG13  ILE  88          3HG1      ILE  88  -0.375  15.762  26.627
  654   HG21  ILE  88          1HG2      ILE  88  -1.518  12.968  27.958
  655   HG22  ILE  88          2HG2      ILE  88  -0.250  13.254  26.742
  656   HG23  ILE  88          3HG2      ILE  88   0.153  12.476  28.275
  657   HD11  ILE  88          3HD1      ILE  88  -2.884  15.346  28.286
  658   HD12  ILE  88          1HD1      ILE  88  -2.769  16.464  26.913
  659   HD13  ILE  88          2HD1      ILE  88  -2.537  14.728  26.661
  660    H    HIS  89           H        HIS  89  -1.595  12.812  31.406
  661    HA   HIS  89           HA       HIS  89   1.061  12.040  32.513
  662    HD1  HIS  89           HD1      HIS  89  -0.808   9.741  35.269
  663    HD2  HIS  89           HD2      HIS  89   1.712  13.097  35.398
  664    HE1  HIS  89           HE1      HIS  89   1.006   9.237  36.982
  665    HB2  HIS  89           2HB      HIS  89  -0.506  13.352  33.947
  666    HB3  HIS  89           3HB      HIS  89  -1.637  11.995  33.884
  667    H    VAL  90           H        VAL  90   1.504   9.879  32.836
  668    HA   VAL  90           HA       VAL  90  -0.309   7.894  31.565
  669    HB   VAL  90           HB       VAL  90   2.701   8.192  31.180
  670   HG11  VAL  90          1HG1      VAL  90   1.841   5.901  30.936
  671   HG12  VAL  90          2HG1      VAL  90   0.674   6.446  29.728
  672   HG13  VAL  90          3HG1      VAL  90   2.419   6.537  29.392
  673   HG21  VAL  90          3HG2      VAL  90   2.074   8.825  28.788
  674   HG22  VAL  90          1HG2      VAL  90   0.424   9.103  29.373
  675   HG23  VAL  90          2HG2      VAL  90   1.766  10.066  30.007
  676    H    TYR  91           H        TYR  91  -0.488   5.984  32.777
  677    HA   TYR  91           HA       TYR  91   1.391   5.252  34.872
  678    HD1  TYR  91           HD2      TYR  91  -1.671   7.877  34.003
  679    HD2  TYR  91           HD1      TYR  91  -2.251   5.267  37.395
  680    HE1  TYR  91           HE2      TYR  91  -4.099   8.209  33.832
  681    HE2  TYR  91           HE1      TYR  91  -4.693   5.644  37.258
  682    HH   TYR  91           HH       TYR  91  -6.423   6.713  36.121
  683    HB2  TYR  91           2HB      TYR  91  -0.064   5.755  36.737
  684    HB3  TYR  91           3HB      TYR  91   0.235   7.245  35.884
  685    H    GLY  92           H        GLY  92   0.362   3.307  36.166
  686    HA2  GLY  92           2HA      GLY  92  -1.851   2.131  36.301
  687    HA3  GLY  92           3HA      GLY  92  -1.769   1.979  34.550
  688    H    TYR  93           H        TYR  93  -2.195  -0.294  35.541
  689    HA   TYR  93           HA       TYR  93   0.386  -1.689  35.222
  690    HD1  TYR  93           HD2      TYR  93  -3.134  -1.230  37.363
  691    HD2  TYR  93           HD1      TYR  93  -0.940  -4.934  37.685
  692    HE1  TYR  93           HE2      TYR  93  -5.170  -2.364  38.167
  693    HE2  TYR  93           HE1      TYR  93  -2.965  -6.068  38.525
  694    HH   TYR  93           HH       TYR  93  -5.208  -5.820  39.135
  695    HB2  TYR  93           2HB      TYR  93   0.197  -3.027  37.026
  696    HB3  TYR  93           3HB      TYR  93  -0.364  -1.504  37.673
  697    H    SER  94           H        SER  94  -2.522  -1.298  33.872
  698    HA   SER  94           HA       SER  94  -4.030  -2.314  32.672
  699    HG   SER  94           HG       SER  94  -0.705  -3.615  32.120
  700    HB2  SER  94           2HB      SER  94  -3.272  -3.879  30.940
  701    HB3  SER  94           3HB      SER  94  -2.294  -2.427  31.078
  702    H    MET  95           H        MET  95  -2.573  -4.643  34.825
  703    HA   MET  95           HA       MET  95  -3.282  -6.491  35.827
  704    HB2  MET  95           2HB      MET  95  -5.493  -5.337  36.062
  705    HB3  MET  95           3HB      MET  95  -6.045  -6.140  34.601
  706    HG2  MET  95           2HG      MET  95  -5.033  -7.584  37.073
  707    HG3  MET  95           3HG      MET  95  -6.719  -7.188  36.790
  708    HE1  MET  95           3HE      MET  95  -8.256  -8.236  34.939
  709    HE2  MET  95           1HE      MET  95  -7.129  -7.878  33.607
  710    HE3  MET  95           2HE      MET  95  -7.750  -9.525  33.826
  711    H    ALA  96           H        ALA  96  -4.505  -6.287  32.463
  712    HA   ALA  96           HA       ALA  96  -4.353  -8.980  31.762
  713    HB1  ALA  96           3HB      ALA  96  -3.902  -6.505  30.032
  714    HB2  ALA  96           1HB      ALA  96  -4.304  -8.126  29.436
  715    HB3  ALA  96           2HB      ALA  96  -5.479  -7.235  30.425
  716    H    TYR  97           H        TYR  97  -1.687  -6.572  31.845
  717    HA   TYR  97           HA       TYR  97   0.196  -8.728  30.960
  718    HD1  TYR  97           HD2      TYR  97   0.255  -9.139  28.447
  719    HD2  TYR  97           HD1      TYR  97  -1.500  -5.203  28.734
  720    HE1  TYR  97           HE2      TYR  97  -1.141  -9.629  26.469
  721    HE2  TYR  97           HE1      TYR  97  -2.843  -5.658  26.696
  722    HH   TYR  97           HH       TYR  97  -2.733  -8.829  25.006
  723    HB2  TYR  97           2HB      TYR  97   0.242  -5.792  30.177
  724    HB3  TYR  97           3HB      TYR  97   1.374  -7.034  29.659
  725    H    GLY  98           H        GLY  98  -0.001  -5.478  32.492
  726    HA2  GLY  98           2HA      GLY  98   1.179  -5.484  34.814
  727    HA3  GLY  98           3HA      GLY  98   2.596  -5.918  33.836
  728    HA   PRO  99           HA       PRO  99   1.865  -1.178  33.896
  729    HB2  PRO  99           2HB      PRO  99   4.699  -1.368  34.902
  730    HB3  PRO  99           3HB      PRO  99   3.422  -0.198  35.341
  731    HG2  PRO  99           2HG      PRO  99   4.072  -2.253  37.006
  732    HG3  PRO  99           3HG      PRO  99   2.360  -1.776  36.771
  733    HD2  PRO  99           2HD      PRO  99   3.868  -4.073  35.502
  734    HD3  PRO  99           3HD      PRO  99   2.211  -4.042  36.176
  735    H    ALA 100           H        ALA 100   2.270  -0.190  32.019
  736    HA   ALA 100           HA       ALA 100   4.157  -1.254  30.059
  737    HB1  ALA 100           3HB      ALA 100   3.665   0.935  28.884
  738    HB2  ALA 100           1HB      ALA 100   2.235  -0.046  29.206
  739    HB3  ALA 100           2HB      ALA 100   2.592   1.355  30.231
  740    H    GLN 101           H        GLN 101   6.058  -0.045  29.335
  741    HA   GLN 101           HA       GLN 101   7.598   1.184  31.481
  742    HB2  GLN 101           2HB      GLN 101   8.240   0.661  28.549
  743    HB3  GLN 101           3HB      GLN 101   9.360   1.356  29.727
  744    HG2  GLN 101           2HG      GLN 101   9.186  -0.698  31.115
  745    HG3  GLN 101           3HG      GLN 101   8.085  -1.412  29.937
  746   HE21  GLN 101          2HE2      GLN 101  11.464  -0.372  30.477
  747   HE22  GLN 101          1HE2      GLN 101  12.129  -1.266  29.135
  748    H    HIS 102           H        HIS 102   5.850   2.826  31.769
  749    HA   HIS 102           HA       HIS 102   4.890   4.531  29.865
  750    HD1  HIS 102           HD1      HIS 102   4.386   3.956  34.550
  751    HD2  HIS 102           HD2      HIS 102   2.418   3.759  30.849
  752    HE1  HIS 102           HE1      HIS 102   2.536   2.239  34.810
  753    HB2  HIS 102           2HB      HIS 102   5.500   5.395  32.709
  754    HB3  HIS 102           3HB      HIS 102   4.249   6.031  31.649
  755    H    ALA 103           H        ALA 103   8.133   4.804  31.312
  756    HA   ALA 103           HA       ALA 103   8.686   7.485  30.518
  757    HB1  ALA 103           3HB      ALA 103  10.110   6.223  32.073
  758    HB2  ALA 103           1HB      ALA 103  10.586   5.115  30.763
  759    HB3  ALA 103           2HB      ALA 103  11.040   6.832  30.696
  760    H    ILE 104           H        ILE 104   8.881   4.382  28.701
  761    HA   ILE 104           HA       ILE 104  10.190   5.521  26.377
  762    HB   ILE 104           HB       ILE 104   8.513   2.986  26.715
  763   HG12  ILE 104          2HG1      ILE 104  11.533   3.441  26.706
  764   HG13  ILE 104          3HG1      ILE 104  10.551   2.974  28.093
  765   HG21  ILE 104          1HG2      ILE 104  10.309   3.798  24.390
  766   HG22  ILE 104          2HG2      ILE 104   9.446   2.250  24.562
  767   HG23  ILE 104          3HG2      ILE 104   8.531   3.731  24.361
  768   HD11  ILE 104          3HD1      ILE 104   9.955   0.837  26.868
  769   HD12  ILE 104          1HD1      ILE 104  11.189   1.275  25.661
  770   HD13  ILE 104          2HD1      ILE 104  11.657   1.012  27.345
  771    H    SER 105           H        SER 105   6.769   4.666  27.229
  772    HA   SER 105           HA       SER 105   5.642   5.649  24.889
  773    HG   SER 105           HG       SER 105   4.933   3.537  25.899
  774    HB2  SER 105           2HB      SER 105   4.326   5.715  27.627
  775    HB3  SER 105           3HB      SER 105   3.550   5.488  26.046
  776    H    THR 106           H        THR 106   6.304   7.497  27.940
  777    HA   THR 106           HA       THR 106   5.016   9.858  26.964
  778    HB   THR 106           HB       THR 106   6.404  10.998  28.782
  779    HG1  THR 106           1HG      THR 106   6.893   8.317  29.559
  780   HG21  THR 106          3HG2      THR 106   4.054  10.129  29.044
  781   HG22  THR 106          1HG2      THR 106   4.715   8.640  29.714
  782   HG23  THR 106          2HG2      THR 106   5.008  10.199  30.527
  783    H    GLU 107           H        GLU 107   8.458   8.754  26.718
  784    HA   GLU 107           HA       GLU 107   9.342  11.164  25.501
  785    HB2  GLU 107           2HB      GLU 107  10.349   8.301  25.379
  786    HB3  GLU 107           3HB      GLU 107  11.112   9.616  24.474
  787    HG2  GLU 107           2HG      GLU 107  11.463  10.896  26.563
  788    HG3  GLU 107           3HG      GLU 107  10.768   9.583  27.503
  789    H    LYS 108           H        LYS 108   7.843   8.229  24.144
  790    HA   LYS 108           HA       LYS 108   8.143   9.040  21.386
  791    HB2  LYS 108           2HB      LYS 108   6.447   7.014  22.867
  792    HB3  LYS 108           3HB      LYS 108   6.152   7.344  21.144
  793    HG2  LYS 108           2HG      LYS 108   8.480   6.839  20.598
  794    HG3  LYS 108           3HG      LYS 108   8.856   6.550  22.301
  795    HD2  LYS 108           2HD      LYS 108   7.427   4.613  22.385
  796    HD3  LYS 108           3HD      LYS 108   6.777   4.917  20.764
  797    HE2  LYS 108           2HE      LYS 108   9.769   4.640  21.156
  798    HE3  LYS 108           3HE      LYS 108   8.774   3.182  21.145
  799    HZ1  LYS 108           3HZ      LYS 108   9.713   4.004  18.927
  800    HZ2  LYS 108           1HZ      LYS 108   8.147   3.521  18.970
  801    HZ3  LYS 108           2HZ      LYS 108   8.481   5.110  18.942
  802    H    ILE 109           H        ILE 109   5.427   9.444  23.728
  803    HA   ILE 109           HA       ILE 109   3.729  10.912  21.977
  804    HB   ILE 109           HB       ILE 109   4.078  11.020  24.996
  805   HG12  ILE 109          2HG1      ILE 109   1.797   9.751  23.408
  806   HG13  ILE 109          3HG1      ILE 109   3.234   8.841  23.809
  807   HG21  ILE 109          1HG2      ILE 109   2.979  13.128  24.155
  808   HG22  ILE 109          2HG2      ILE 109   1.740  12.124  23.371
  809   HG23  ILE 109          3HG2      ILE 109   1.901  12.146  25.135
  810   HD11  ILE 109          3HD1      ILE 109   1.543   8.362  25.454
  811   HD12  ILE 109          1HD1      ILE 109   2.833   9.283  26.244
  812   HD13  ILE 109          2HD1      ILE 109   1.300  10.078  25.810
  813    H    LYS 110           H        LYS 110   6.357  12.070  24.207
  814    HA   LYS 110           HA       LYS 110   6.126  14.792  23.522
  815    HB2  LYS 110           2HB      LYS 110   7.363  13.932  25.455
  816    HB3  LYS 110           3HB      LYS 110   8.588  13.216  24.406
  817    HG2  LYS 110           2HG      LYS 110   9.370  15.348  23.659
  818    HG3  LYS 110           3HG      LYS 110   7.975  16.199  24.332
  819    HD2  LYS 110           2HD      LYS 110  10.012  14.717  26.053
  820    HD3  LYS 110           3HD      LYS 110  10.149  16.431  25.613
  821    HE2  LYS 110           2HE      LYS 110   7.903  16.864  26.606
  822    HE3  LYS 110           3HE      LYS 110   7.810  15.179  27.130
  823    HZ1  LYS 110           3HZ      LYS 110   9.875  17.101  28.021
  824    HZ2  LYS 110           1HZ      LYS 110   8.527  16.715  28.856
  825    HZ3  LYS 110           2HZ      LYS 110   9.682  15.569  28.581
  826    H    ALA 111           H        ALA 111   8.048  12.218  21.874
  827    HA   ALA 111           HA       ALA 111   9.349  13.920  20.050
  828    HB1  ALA 111           3HB      ALA 111   9.948  11.543  20.427
  829    HB2  ALA 111           1HB      ALA 111   8.450  11.038  19.611
  830    HB3  ALA 111           2HB      ALA 111   9.705  11.903  18.707
  831    H    LYS 112           H        LYS 112   6.025  12.617  19.967
  832    HA   LYS 112           HA       LYS 112   5.562  13.834  17.300
  833    HB2  LYS 112           2HB      LYS 112   3.732  12.226  19.134
  834    HB3  LYS 112           3HB      LYS 112   3.297  12.818  17.532
  835    HG2  LYS 112           2HG      LYS 112   5.455  10.758  18.169
  836    HG3  LYS 112           3HG      LYS 112   3.889  10.470  17.409
  837    HD2  LYS 112           2HD      LYS 112   4.593  11.924  15.482
  838    HD3  LYS 112           3HD      LYS 112   6.206  12.062  16.221
  839    HE2  LYS 112           2HE      LYS 112   6.464   9.604  16.142
  840    HE3  LYS 112           3HE      LYS 112   4.873   9.462  15.378
  841    HZ1  LYS 112           3HZ      LYS 112   7.200  10.885  14.211
  842    HZ2  LYS 112           1HZ      LYS 112   6.658   9.422  13.739
  843    HZ3  LYS 112           2HZ      LYS 112   5.731  10.745  13.503
  844    H    TYR 113           H        TYR 113   5.368  14.796  20.539
  845    HA   TYR 113           HA       TYR 113   4.310  16.380  21.676
  846    HD1  TYR 113           HD2      TYR 113   7.369  16.699  19.066
  847    HD2  TYR 113           HD1      TYR 113   4.125  19.493  18.556
  848    HE1  TYR 113           HE2      TYR 113   8.107  17.115  16.746
  849    HE2  TYR 113           HE1      TYR 113   4.859  19.927  16.231
  850    HH   TYR 113           HH       TYR 113   7.703  18.295  14.771
  851    HB2  TYR 113           2HB      TYR 113   4.797  18.675  20.818
  852    HB3  TYR 113           3HB      TYR 113   6.137  17.579  20.990
  853    HA   PRO 114           HA       PRO 114   0.151  16.738  19.622
  854    HB2  PRO 114           2HB      PRO 114  -1.283  15.086  21.241
  855    HB3  PRO 114           3HB      PRO 114  -0.410  14.482  19.798
  856    HG2  PRO 114           2HG      PRO 114   0.499  14.422  22.689
  857    HG3  PRO 114           3HG      PRO 114   0.540  13.097  21.483
  858    HD2  PRO 114           2HD      PRO 114   2.710  14.694  22.050
  859    HD3  PRO 114           3HD      PRO 114   2.428  13.986  20.430
  860    H    ASP 115           H        ASP 115   1.810  16.936  22.637
  861    HA   ASP 115           HA       ASP 115   0.405  19.355  23.427
  862    HB2  ASP 115           2HB      ASP 115  -0.583  17.413  24.775
  863    HB3  ASP 115           3HB      ASP 115   1.038  17.144  25.425
  864    H    TYR 116           H        TYR 116   1.996  20.501  24.999
  865    HA   TYR 116           HA       TYR 116   4.670  20.261  23.829
  866    HD1  TYR 116           HD1      TYR 116   4.410  22.195  27.645
  867    HD2  TYR 116           HD2      TYR 116   1.560  22.964  24.496
  868    HE1  TYR 116           HE1      TYR 116   2.773  22.997  29.325
  869    HE2  TYR 116           HE2      TYR 116  -0.078  23.768  26.160
  870    HH   TYR 116           HH       TYR 116  -0.489  24.197  28.418
  871    HB2  TYR 116           2HB      TYR 116   5.087  22.331  25.197
  872    HB3  TYR 116           3HB      TYR 116   3.852  22.459  23.963
  873    H    GLU 117           H        GLU 117   3.067  19.010  26.694
  874    HA   GLU 117           HA       GLU 117   5.707  18.111  27.670
  875    HB2  GLU 117           2HB      GLU 117   5.275  20.248  28.812
  876    HB3  GLU 117           3HB      GLU 117   3.690  19.681  29.316
  877    HG2  GLU 117           2HG      GLU 117   5.241  19.615  31.172
  878    HG3  GLU 117           3HG      GLU 117   4.771  17.975  30.774
  879    H    VAL 118           H        VAL 118   5.583  16.313  29.141
  880    HA   VAL 118           HA       VAL 118   3.032  14.867  29.308
  881    HB   VAL 118           HB       VAL 118   5.435  13.361  28.285
  882   HG11  VAL 118          1HG1      VAL 118   3.294  12.221  29.060
  883   HG12  VAL 118          2HG1      VAL 118   2.447  13.023  27.738
  884   HG13  VAL 118          3HG1      VAL 118   3.727  11.855  27.378
  885   HG21  VAL 118          3HG2      VAL 118   4.707  13.528  25.940
  886   HG22  VAL 118          1HG2      VAL 118   3.530  14.786  26.379
  887   HG23  VAL 118          2HG2      VAL 118   5.279  15.080  26.540
  888    H    THR 119           H        THR 119   3.212  13.116  30.934
  889    HA   THR 119           HA       THR 119   5.481  13.253  32.824
  890    HB   THR 119           HB       THR 119   3.644  13.534  34.638
  891    HG1  THR 119           1HG      THR 119   2.187  14.106  32.349
  892   HG21  THR 119          3HG2      THR 119   5.352  15.252  34.124
  893   HG22  THR 119          1HG2      THR 119   4.253  15.968  32.915
  894   HG23  THR 119          2HG2      THR 119   3.801  15.952  34.631
  895    H    TRP 120           H        TRP 120   5.319  11.455  34.465
  896    HA   TRP 120           HA       TRP 120   3.196   9.565  34.043
  897    HD1  TRP 120           HD1      TRP 120   7.118   9.964  31.975
  898    HE1  TRP 120           HE1      TRP 120   9.461   9.186  32.605
  899    HE3  TRP 120           HE3      TRP 120   5.873   6.250  35.261
  900    HZ2  TRP 120           HZ2      TRP 120  10.669   7.305  34.467
  901    HZ3  TRP 120           HZ3      TRP 120   7.636   4.972  36.447
  902    HH2  TRP 120           HH2      TRP 120  10.035   5.499  36.066
  903    HB2  TRP 120           2HB      TRP 120   4.536   7.616  33.514
  904    HB3  TRP 120           3HB      TRP 120   4.696   8.806  32.258
  905    H    ALA 121           H        ALA 121   3.305   7.691  35.472
  906    HA   ALA 121           HA       ALA 121   5.137   7.702  37.727
  907    HB1  ALA 121           3HB      ALA 121   3.269   9.262  38.474
  908    HB2  ALA 121           1HB      ALA 121   2.137   7.895  38.281
  909    HB3  ALA 121           2HB      ALA 121   3.448   7.812  39.469
  910    H    ASN 122           H        ASN 122   4.048   5.741  39.242
  911    HA   ASN 122           HA       ASN 122   3.089   3.585  37.439
  912    HB2  ASN 122           2HB      ASN 122   5.669   3.603  37.868
  913    HB3  ASN 122           3HB      ASN 122   5.255   3.036  39.484
  914   HD21  ASN 122          2HD2      ASN 122   3.594   1.060  39.399
  915   HD22  ASN 122          1HD2      ASN 122   3.989  -0.171  38.202
  916    H    ASP 123           H        ASP 123   1.578   5.263  39.161
  917    HA   ASP 123           HA       ASP 123   0.325   3.331  40.894
  918    HB2  ASP 123           2HB      ASP 123   1.996   4.269  42.451
  919    HB3  ASP 123           3HB      ASP 123   1.522   5.910  42.002
  920    H    GLY 124           H        GLY 124  -1.804   4.207  41.566
  921    HA2  GLY 124           2HA      GLY 124  -3.425   6.071  41.344
  922    HA3  GLY 124           3HA      GLY 124  -2.852   6.284  39.676
  923    H    TYR 125           H        TYR 125  -2.575   3.308  39.394
  924    HA   TYR 125           HA       TYR 125  -5.274   2.212  39.387
  925    HD1  TYR 125           HD1      TYR 125  -6.338   0.547  37.990
  926    HD2  TYR 125           HD2      TYR 125  -3.927   2.140  34.796
  927    HE1  TYR 125           HE1      TYR 125  -7.036  -1.333  36.535
  928    HE2  TYR 125           HE2      TYR 125  -4.609   0.253  33.326
  929    HH   TYR 125           HH       TYR 125  -6.849  -2.321  34.428
  930    HB2  TYR 125           2HB      TYR 125  -5.438   3.366  37.322
  931    HB3  TYR 125           3HB      TYR 125  -3.754   3.081  36.920
  Start of MODEL    4
    1    HA   MET   1           HA       MET   1   4.037  -8.434  -5.328
    2    H1   MET   1           H1       MET   1   3.665  -8.307  -7.691
    3    H2   MET   1           H2       MET   1   3.855  -6.670  -7.668
    4    H3   MET   1           H3       MET   1   2.592  -7.356  -6.885
    5    HB2  MET   1           2HB      MET   1   5.955  -8.739  -6.822
    6    HB3  MET   1           3HB      MET   1   6.252  -6.999  -6.853
    7    HG2  MET   1           2HG      MET   1   7.778  -8.217  -5.348
    8    HG3  MET   1           3HG      MET   1   6.841  -6.994  -4.500
    9    HE1  MET   1           3HE      MET   1   7.464  -9.765  -1.791
   10    HE2  MET   1           1HE      MET   1   8.559  -9.429  -3.150
   11    HE3  MET   1           2HE      MET   1   7.769  -8.086  -2.296
   12    H    ALA   2           H        ALA   2   3.875  -7.421  -3.356
   13    HA   ALA   2           HA       ALA   2   4.441  -4.584  -3.052
   14    HB1  ALA   2           3HB      ALA   2   2.235  -4.081  -2.036
   15    HB2  ALA   2           1HB      ALA   2   2.056  -4.508  -3.746
   16    HB3  ALA   2           2HB      ALA   2   1.645  -5.694  -2.482
   17    H    VAL   3           H        VAL   3   4.785  -4.068  -0.847
   18    HA   VAL   3           HA       VAL   3   4.654  -6.076   1.245
   19    HB   VAL   3           HB       VAL   3   7.136  -5.277   1.657
   20   HG11  VAL   3          1HG1      VAL   3   6.516  -7.614   1.333
   21   HG12  VAL   3          2HG1      VAL   3   6.518  -7.401  -0.427
   22   HG13  VAL   3          3HG1      VAL   3   8.030  -7.254   0.495
   23   HG21  VAL   3          3HG2      VAL   3   7.190  -5.092  -1.377
   24   HG22  VAL   3          1HG2      VAL   3   7.278  -3.702  -0.267
   25   HG23  VAL   3          2HG2      VAL   3   8.544  -4.936  -0.248
   26    H    ALA   4           H        ALA   4   5.696  -4.791   3.283
   27    HA   ALA   4           HA       ALA   4   5.104  -1.914   3.224
   28    HB1  ALA   4           3HB      ALA   4   3.975  -3.842   5.308
   29    HB2  ALA   4           1HB      ALA   4   3.821  -2.076   5.328
   30    HB3  ALA   4           2HB      ALA   4   3.016  -3.013   4.057
   31    H    ASP   5           H        ASP   5   5.889  -1.060   5.538
   32    HA   ASP   5           HA       ASP   5   8.100  -2.579   6.694
   33    HB2  ASP   5           2HB      ASP   5   9.146  -1.440   4.728
   34    HB3  ASP   5           3HB      ASP   5   8.544   0.111   5.316
   35    H    LEU   6           H        LEU   6   8.703  -1.604   8.754
   36    HA   LEU   6           HA       LEU   6   6.520  -0.496  10.174
   37    HG   LEU   6           HG       LEU   6   7.946  -2.877  10.776
   38    HB2  LEU   6           2HB      LEU   6   9.478  -0.813  10.784
   39    HB3  LEU   6           3HB      LEU   6   8.370  -0.102  11.949
   40   HD11  LEU   6          1HD1      LEU   6   9.222  -2.071  13.428
   41   HD12  LEU   6          2HD1      LEU   6   8.838  -3.728  12.899
   42   HD13  LEU   6          3HD1      LEU   6  10.063  -2.788  12.035
   43   HD21  LEU   6          3HD2      LEU   6   6.751  -1.509  13.241
   44   HD22  LEU   6          1HD2      LEU   6   5.890  -1.853  11.722
   45   HD23  LEU   6          2HD2      LEU   6   6.471  -3.183  12.716
   46    H    ALA   7           H        ALA   7   9.014   1.167   8.317
   47    HA   ALA   7           HA       ALA   7   8.815   3.703   9.586
   48    HB1  ALA   7           3HB      ALA   7   9.641   4.586   7.437
   49    HB2  ALA   7           1HB      ALA   7  10.539   3.132   7.913
   50    HB3  ALA   7           2HB      ALA   7   9.289   3.034   6.649
   51    H    LEU   8           H        LEU   8   6.499   1.984   7.555
   52    HA   LEU   8           HA       LEU   8   5.052   4.377   6.703
   53    HG   LEU   8           HG       LEU   8   6.229   1.704   5.248
   54    HB2  LEU   8           2HB      LEU   8   4.213   1.449   6.663
   55    HB3  LEU   8           3HB      LEU   8   3.425   2.768   5.808
   56   HD11  LEU   8          1HD1      LEU   8   3.672   1.546   3.598
   57   HD12  LEU   8          2HD1      LEU   8   5.260   0.869   3.172
   58   HD13  LEU   8          3HD1      LEU   8   4.359   0.221   4.553
   59   HD21  LEU   8          3HD2      LEU   8   6.164   3.174   3.240
   60   HD22  LEU   8          1HD2      LEU   8   4.662   3.913   3.841
   61   HD23  LEU   8          2HD2      LEU   8   6.185   4.099   4.743
   62    H    ILE   9           H        ILE   9   5.130   2.517   9.617
   63    HA   ILE   9           HA       ILE   9   2.279   2.966  10.240
   64    HB   ILE   9           HB       ILE   9   4.499   1.156  11.231
   65   HG12  ILE   9          2HG1      ILE   9   1.711   0.362  10.324
   66   HG13  ILE   9          3HG1      ILE   9   2.919   0.767   9.121
   67   HG21  ILE   9          1HG2      ILE   9   2.960   0.170  12.884
   68   HG22  ILE   9          2HG2      ILE   9   3.328   1.843  13.280
   69   HG23  ILE   9          3HG2      ILE   9   1.761   1.436  12.539
   70   HD11  ILE   9          3HD1      ILE   9   3.427  -1.361  11.215
   71   HD12  ILE   9          1HD1      ILE   9   2.742  -1.674   9.606
   72   HD13  ILE   9          2HD1      ILE   9   4.371  -0.999   9.759
   73    HA   PRO  10           HA       PRO  10   3.646   6.462  12.647
   74    HB2  PRO  10           2HB      PRO  10   1.441   6.916  14.250
   75    HB3  PRO  10           3HB      PRO  10   1.526   7.339  12.514
   76    HG2  PRO  10           2HG      PRO  10   0.297   4.880  13.777
   77    HG3  PRO  10           3HG      PRO  10  -0.388   5.931  12.499
   78    HD2  PRO  10           2HD      PRO  10   0.859   3.582  11.915
   79    HD3  PRO  10           3HD      PRO  10   1.031   5.009  10.851
   80    H    ASP  11           H        ASP  11   4.697   6.790  14.585
   81    HA   ASP  11           HA       ASP  11   5.311   4.423  16.123
   82    HB2  ASP  11           2HB      ASP  11   6.899   6.259  15.387
   83    HB3  ASP  11           3HB      ASP  11   6.153   7.300  16.605
   84    H    VAL  12           H        VAL  12   3.289   7.270  16.645
   85    HA   VAL  12           HA       VAL  12   2.294   6.177  19.204
   86    HB   VAL  12           HB       VAL  12   2.971   9.103  18.665
   87   HG11  VAL  12          1HG1      VAL  12   0.986   8.741  20.161
   88   HG12  VAL  12          2HG1      VAL  12   2.004   7.771  21.240
   89   HG13  VAL  12          3HG1      VAL  12   2.347   9.495  20.983
   90   HG21  VAL  12          3HG2      VAL  12   5.053   7.895  19.054
   91   HG22  VAL  12          1HG2      VAL  12   4.650   8.860  20.470
   92   HG23  VAL  12          2HG2      VAL  12   4.364   7.102  20.486
   93    H    ASP  13           H        ASP  13   0.060   6.202  19.179
   94    HA   ASP  13           HA       ASP  13  -1.396   8.232  17.721
   95    HB2  ASP  13           2HB      ASP  13  -1.199   6.594  15.892
   96    HB3  ASP  13           3HB      ASP  13  -1.766   5.304  16.955
   97    H    ILE  14           H        ILE  14  -2.764   8.843  19.317
   98    HA   ILE  14           HA       ILE  14  -3.795   6.870  21.238
   99    HB   ILE  14           HB       ILE  14  -3.122   8.380  23.105
  100   HG12  ILE  14          2HG1      ILE  14  -1.171   9.661  21.151
  101   HG13  ILE  14          3HG1      ILE  14  -2.663  10.421  21.709
  102   HG21  ILE  14          1HG2      ILE  14  -0.735   7.207  21.627
  103   HG22  ILE  14          2HG2      ILE  14  -0.921   7.430  23.379
  104   HG23  ILE  14          3HG2      ILE  14  -1.927   6.256  22.532
  105   HD11  ILE  14          3HD1      ILE  14  -1.855  10.306  24.057
  106   HD12  ILE  14          1HD1      ILE  14  -0.317   9.629  23.476
  107   HD13  ILE  14          2HD1      ILE  14  -0.798  11.264  23.002
  108    H    ASP  15           H        ASP  15  -5.513   7.733  22.558
  109    HA   ASP  15           HA       ASP  15  -7.364   9.375  21.150
  110    HB2  ASP  15           2HB      ASP  15  -7.555   7.536  23.171
  111    HB3  ASP  15           3HB      ASP  15  -7.749   9.025  24.081
  112    H    SER  16           H        SER  16  -8.528  11.210  22.516
  113    HA   SER  16           HA       SER  16  -6.484  13.217  23.364
  114    HG   SER  16           HG       SER  16  -6.851  13.720  19.799
  115    HB2  SER  16           2HB      SER  16  -8.624  13.658  21.246
  116    HB3  SER  16           3HB      SER  16  -7.374  14.803  21.755
  117    H    ASP  17           H        ASP  17  -9.064  11.665  24.555
  118    HA   ASP  17           HA       ASP  17 -10.091  14.038  25.995
  119    HB2  ASP  17           2HB      ASP  17 -11.620  13.880  24.114
  120    HB3  ASP  17           3HB      ASP  17 -11.790  12.137  24.333
  121    H    GLY  18           H        GLY  18 -10.589  13.577  28.063
  122    HA2  GLY  18           2HA      GLY  18 -10.986  12.473  30.008
  123    HA3  GLY  18           3HA      GLY  18 -11.777  11.247  29.014
  124    H    VAL  19           H        VAL  19 -11.021   9.800  30.712
  125    HA   VAL  19           HA       VAL  19  -8.210   9.004  30.739
  126    HB   VAL  19           HB       VAL  19 -10.699   7.636  31.856
  127   HG11  VAL  19          1HG1      VAL  19  -7.732   7.160  32.387
  128   HG12  VAL  19          2HG1      VAL  19  -9.065   6.427  33.307
  129   HG13  VAL  19          3HG1      VAL  19  -8.861   6.037  31.597
  130   HG21  VAL  19          3HG2      VAL  19  -8.688   9.441  33.269
  131   HG22  VAL  19          1HG2      VAL  19 -10.397   9.815  32.966
  132   HG23  VAL  19          2HG2      VAL  19  -9.968   8.506  34.062
  133    H    PHE  20           H        PHE  20  -7.390   7.270  29.487
  134    HA   PHE  20           HA       PHE  20  -9.250   5.450  28.158
  135    HD1  PHE  20           HD1      PHE  20  -7.785   9.233  27.157
  136    HD2  PHE  20           HD2      PHE  20  -5.873   5.763  25.456
  137    HE1  PHE  20           HE1      PHE  20  -5.841  10.621  26.497
  138    HE2  PHE  20           HE2      PHE  20  -3.938   7.145  24.801
  139    HZ   PHE  20           HZ       PHE  20  -3.923   9.594  25.290
  140    HB2  PHE  20           2HB      PHE  20  -8.207   5.720  25.962
  141    HB3  PHE  20           3HB      PHE  20  -9.073   7.160  26.458
  142    H    LYS  21           H        LYS  21  -8.218   3.463  27.552
  143    HA   LYS  21           HA       LYS  21  -5.888   2.803  29.224
  144    HB2  LYS  21           2HB      LYS  21  -7.417   1.109  27.203
  145    HB3  LYS  21           3HB      LYS  21  -6.222   0.521  28.358
  146    HG2  LYS  21           2HG      LYS  21  -7.691   1.220  30.244
  147    HG3  LYS  21           3HG      LYS  21  -8.900   1.790  29.077
  148    HD2  LYS  21           2HD      LYS  21  -9.029  -0.555  28.140
  149    HD3  LYS  21           3HD      LYS  21  -7.915  -1.071  29.411
  150    HE2  LYS  21           2HE      LYS  21 -10.149  -1.613  30.127
  151    HE3  LYS  21           3HE      LYS  21  -9.556  -0.295  31.142
  152    HZ1  LYS  21           3HZ      LYS  21 -11.862  -0.018  30.343
  153    HZ2  LYS  21           1HZ      LYS  21 -10.915   1.228  29.871
  154    HZ3  LYS  21           2HZ      LYS  21 -11.349   0.068  28.791
  155    H    TYR  22           H        TYR  22  -3.907   1.828  28.266
  156    HA   TYR  22           HA       TYR  22  -3.552   2.131  25.399
  157    HD1  TYR  22           HD2      TYR  22  -1.632   3.902  28.967
  158    HD2  TYR  22           HD1      TYR  22   0.126   3.063  25.130
  159    HE1  TYR  22           HE2      TYR  22   0.592   3.786  30.022
  160    HE2  TYR  22           HE1      TYR  22   2.376   2.982  26.165
  161    HH   TYR  22           HH       TYR  22   3.609   3.396  28.063
  162    HB2  TYR  22           2HB      TYR  22  -2.112   3.840  25.294
  163    HB3  TYR  22           3HB      TYR  22  -2.848   4.362  26.782
  164    H    VAL  23           H        VAL  23  -1.541   1.152  24.652
  165    HA   VAL  23           HA       VAL  23  -0.286  -0.763  26.533
  166    HB   VAL  23           HB       VAL  23  -1.217  -1.506  23.736
  167   HG11  VAL  23          1HG1      VAL  23   0.713  -2.830  24.657
  168   HG12  VAL  23          2HG1      VAL  23  -0.279  -3.257  26.052
  169   HG13  VAL  23          3HG1      VAL  23  -0.741  -3.813  24.428
  170   HG21  VAL  23          3HG2      VAL  23  -2.940  -2.948  24.797
  171   HG22  VAL  23          1HG2      VAL  23  -2.564  -2.212  26.376
  172   HG23  VAL  23          2HG2      VAL  23  -3.249  -1.236  25.061
  173    H    LEU  24           H        LEU  24   1.870  -1.119  26.084
  174    HA   LEU  24           HA       LEU  24   3.196   0.529  23.977
  175    HG   LEU  24           HG       LEU  24   6.001  -0.884  24.904
  176    HB2  LEU  24           2HB      LEU  24   4.010   0.995  26.253
  177    HB3  LEU  24           3HB      LEU  24   4.199  -0.730  26.573
  178   HD11  LEU  24          1HD1      LEU  24   5.588   2.114  24.526
  179   HD12  LEU  24          2HD1      LEU  24   7.023   1.219  23.985
  180   HD13  LEU  24          3HD1      LEU  24   5.448   0.841  23.297
  181   HD21  LEU  24          3HD2      LEU  24   7.693   0.402  26.153
  182   HD22  LEU  24          1HD2      LEU  24   6.420   1.375  26.918
  183   HD23  LEU  24          2HD2      LEU  24   6.542  -0.374  27.248
  184    H    ILE  25           H        ILE  25   3.550  -0.735  22.180
  185    HA   ILE  25           HA       ILE  25   3.579  -3.708  22.550
  186    HB   ILE  25           HB       ILE  25   2.400  -2.080  20.264
  187   HG12  ILE  25          2HG1      ILE  25   0.804  -3.579  22.384
  188   HG13  ILE  25          3HG1      ILE  25   1.095  -1.839  22.463
  189   HG21  ILE  25          1HG2      ILE  25   3.154  -4.366  19.651
  190   HG22  ILE  25          2HG2      ILE  25   2.157  -5.049  20.952
  191   HG23  ILE  25          3HG2      ILE  25   1.409  -4.233  19.557
  192   HD11  ILE  25          3HD1      ILE  25  -0.006  -1.500  20.308
  193   HD12  ILE  25          1HD1      ILE  25  -0.447  -3.231  20.263
  194   HD13  ILE  25          2HD1      ILE  25  -1.077  -2.182  21.537
  195    H    ARG  26           H        ARG  26   5.352  -4.703  21.733
  196    HA   ARG  26           HA       ARG  26   7.241  -3.167  20.038
  197    HE   ARG  26           HE       ARG  26   9.368  -7.269  21.702
  198    HB2  ARG  26           2HB      ARG  26   8.198  -4.462  21.896
  199    HB3  ARG  26           3HB      ARG  26   7.446  -5.947  21.296
  200    HG2  ARG  26           2HG      ARG  26   8.862  -6.015  19.382
  201    HG3  ARG  26           3HG      ARG  26   9.288  -4.310  19.523
  202    HD2  ARG  26           2HD      ARG  26  11.181  -5.663  20.144
  203    HD3  ARG  26           3HD      ARG  26  10.604  -4.718  21.525
  204   HH11  ARG  26          1HH2      ARG  26  12.665  -5.917  21.875
  205   HH12  ARG  26          2HH2      ARG  26  13.237  -7.146  22.948
  206   HH21  ARG  26          1HH1      ARG  26  10.069  -8.796  23.056
  207   HH22  ARG  26          2HH1      ARG  26  11.715  -8.874  23.658
  208    H    VAL  27           H        VAL  27   7.473  -3.729  17.855
  209    HA   VAL  27           HA       VAL  27   5.552  -5.712  16.772
  210    HB   VAL  27           HB       VAL  27   6.000  -2.892  15.697
  211   HG11  VAL  27          1HG1      VAL  27   5.325  -4.633  14.004
  212   HG12  VAL  27          2HG1      VAL  27   3.864  -4.943  14.953
  213   HG13  VAL  27          3HG1      VAL  27   4.132  -3.349  14.216
  214   HG21  VAL  27          3HG2      VAL  27   3.652  -3.998  17.299
  215   HG22  VAL  27          1HG2      VAL  27   4.733  -2.670  17.763
  216   HG23  VAL  27          2HG2      VAL  27   3.630  -2.468  16.400
  217    H    HIS  28           H        HIS  28   6.304  -6.752  14.958
  218    HA   HIS  28           HA       HIS  28   9.185  -6.371  14.255
  219    HD1  HIS  28           HD1      HIS  28  10.715  -7.645  16.419
  220    HD2  HIS  28           HD2      HIS  28   6.887  -9.295  16.976
  221    HE1  HIS  28           HE1      HIS  28  10.493  -8.140  18.924
  222    HB2  HIS  28           2HB      HIS  28   7.630  -8.984  14.488
  223    HB3  HIS  28           3HB      HIS  28   9.355  -8.791  14.192
  224    H    SER  29           H        SER  29   9.572  -6.420  12.051
  225    HA   SER  29           HA       SER  29   7.370  -6.261  10.196
  226    HG   SER  29           HG       SER  29  10.184  -4.951  10.827
  227    HB2  SER  29           2HB      SER  29  10.304  -6.807   9.571
  228    HB3  SER  29           3HB      SER  29   9.084  -6.144   8.484
  229    H    ALA  30           H        ALA  30   6.534  -7.793   8.851
  230    HA   ALA  30           HA       ALA  30   7.922 -10.280   8.293
  231    HB1  ALA  30           3HB      ALA  30   6.686 -10.933  10.292
  232    HB2  ALA  30           1HB      ALA  30   5.167 -10.313   9.581
  233    HB3  ALA  30           2HB      ALA  30   6.007 -11.704   8.839
  234    HA   PRO  31           HA       PRO  31   5.380  -7.606   5.358
  235    HB2  PRO  31           2HB      PRO  31   7.727  -7.674   3.547
  236    HB3  PRO  31           3HB      PRO  31   6.813  -6.278   4.157
  237    HG2  PRO  31           2HG      PRO  31   9.343  -6.870   5.061
  238    HG3  PRO  31           3HG      PRO  31   8.088  -6.151   6.117
  239    HD2  PRO  31           2HD      PRO  31   8.890  -9.081   5.939
  240    HD3  PRO  31           3HD      PRO  31   8.616  -8.080   7.357
  241    H    ARG  32           H        ARG  32   4.077  -8.489   3.808
  242    HA   ARG  32           HA       ARG  32   3.008 -10.133   2.725
  243    HE   ARG  32           HE       ARG  32   3.441 -11.889  -2.558
  244    HB2  ARG  32           2HB      ARG  32   4.790  -9.164   1.105
  245    HB3  ARG  32           3HB      ARG  32   5.603 -10.726   1.271
  246    HG2  ARG  32           2HG      ARG  32   3.508 -11.837   0.419
  247    HG3  ARG  32           3HG      ARG  32   2.735 -10.245   0.331
  248    HD2  ARG  32           2HD      ARG  32   4.575  -9.533  -1.269
  249    HD3  ARG  32           3HD      ARG  32   5.173 -11.190  -1.236
  250   HH11  ARG  32          1HH2      ARG  32   2.765  -8.536  -1.533
  251   HH12  ARG  32          2HH2      ARG  32   1.313  -8.412  -2.466
  252   HH21  ARG  32          1HH1      ARG  32   1.572 -11.665  -3.877
  253   HH22  ARG  32          2HH1      ARG  32   0.672 -10.196  -3.890
  254    H    SER  33           H        SER  33   4.329 -10.970   5.269
  255    HA   SER  33           HA       SER  33   4.925 -12.718   6.482
  256    HG   SER  33           HG       SER  33   2.053 -12.432   5.467
  257    HB2  SER  33           2HB      SER  33   3.077 -14.289   4.652
  258    HB3  SER  33           3HB      SER  33   3.544 -14.705   6.309
  259    H    GLY  34           H        GLY  34   6.792 -12.165   4.231
  260    HA2  GLY  34           2HA      GLY  34   8.364 -14.578   4.465
  261    HA3  GLY  34           3HA      GLY  34   7.588 -14.471   2.886
  262    H    ALA  35           H        ALA  35   8.253 -11.237   3.636
  263    HA   ALA  35           HA       ALA  35  10.459 -11.110   1.844
  264    HB1  ALA  35           3HB      ALA  35   9.630  -9.092   3.965
  265    HB2  ALA  35           1HB      ALA  35  10.636  -8.762   2.557
  266    HB3  ALA  35           2HB      ALA  35   8.933  -9.204   2.325
  267    HA   PRO  36           HA       PRO  36  13.798 -11.999   4.713
  268    HB2  PRO  36           2HB      PRO  36  15.978 -11.108   3.356
  269    HB3  PRO  36           3HB      PRO  36  14.952 -12.424   2.725
  270    HG2  PRO  36           2HG      PRO  36  14.791  -9.471   2.018
  271    HG3  PRO  36           3HG      PRO  36  14.917 -10.867   0.898
  272    HD2  PRO  36           2HD      PRO  36  12.515  -9.742   1.565
  273    HD3  PRO  36           3HD      PRO  36  12.686 -11.499   1.281
  274    H    ALA  37           H        ALA  37  12.323 -10.061   5.832
  275    HA   ALA  37           HA       ALA  37  14.281  -8.137   6.922
  276    HB1  ALA  37           3HB      ALA  37  12.620  -6.298   6.732
  277    HB2  ALA  37           1HB      ALA  37  13.135  -6.879   5.133
  278    HB3  ALA  37           2HB      ALA  37  11.553  -7.361   5.791
  279    H    ALA  38           H        ALA  38  14.021  -7.935   9.069
  280    HA   ALA  38           HA       ALA  38  11.527  -8.713  10.432
  281    HB1  ALA  38           3HB      ALA  38  12.738 -10.264  11.915
  282    HB2  ALA  38           1HB      ALA  38  12.865 -10.801  10.231
  283    HB3  ALA  38           2HB      ALA  38  14.244  -9.987  11.011
  284    H    GLU  39           H        GLU  39  12.826  -6.165   9.913
  285    HA   GLU  39           HA       GLU  39  14.241  -5.203  12.238
  286    HB2  GLU  39           2HB      GLU  39  12.500  -3.736  10.198
  287    HB3  GLU  39           3HB      GLU  39  13.565  -2.967  11.372
  288    HG2  GLU  39           2HG      GLU  39  14.419  -4.762   9.061
  289    HG3  GLU  39           3HG      GLU  39  14.577  -3.014   9.145
  290    H    SER  40           H        SER  40  13.293  -3.872  13.968
  291    HA   SER  40           HA       SER  40  10.398  -4.281  14.440
  292    HG   SER  40           HG       SER  40  12.519  -6.494  14.783
  293    HB2  SER  40           2HB      SER  40  12.528  -4.927  16.490
  294    HB3  SER  40           3HB      SER  40  10.790  -5.181  16.640
  295    H    LYS  41           H        LYS  41   9.598  -2.942  16.214
  296    HA   LYS  41           HA       LYS  41  11.274  -0.951  17.417
  297    HB2  LYS  41           2HB      LYS  41  10.365   1.052  16.595
  298    HB3  LYS  41           3HB      LYS  41  10.771   0.121  15.164
  299    HG2  LYS  41           2HG      LYS  41   8.319  -0.504  14.956
  300    HG3  LYS  41           3HG      LYS  41   7.984   0.556  16.337
  301    HD2  LYS  41           2HD      LYS  41   9.063   2.454  15.068
  302    HD3  LYS  41           3HD      LYS  41   9.185   1.382  13.661
  303    HE2  LYS  41           2HE      LYS  41   6.662   1.096  13.768
  304    HE3  LYS  41           3HE      LYS  41   6.641   2.281  15.086
  305    HZ1  LYS  41           3HZ      LYS  41   7.435   2.758  12.277
  306    HZ2  LYS  41           1HZ      LYS  41   6.170   3.397  13.019
  307    HZ3  LYS  41           2HZ      LYS  41   7.677   3.865  13.477
  308    H    GLU  42           H        GLU  42   9.648   0.593  18.779
  309    HA   GLU  42           HA       GLU  42   7.442  -1.126  19.806
  310    HB2  GLU  42           2HB      GLU  42   9.168   0.815  21.402
  311    HB3  GLU  42           3HB      GLU  42   7.782  -0.098  21.988
  312    HG2  GLU  42           2HG      GLU  42   9.632  -1.272  22.788
  313    HG3  GLU  42           3HG      GLU  42   9.030  -2.231  21.443
  314    H    ILE  43           H        ILE  43   5.487  -0.081  20.130
  315    HA   ILE  43           HA       ILE  43   5.313   2.776  19.323
  316    HB   ILE  43           HB       ILE  43   3.296   2.269  18.055
  317   HG12  ILE  43          2HG1      ILE  43   3.892  -0.684  18.449
  318   HG13  ILE  43          3HG1      ILE  43   2.611   0.187  19.280
  319   HG21  ILE  43          1HG2      ILE  43   4.347   1.440  16.077
  320   HG22  ILE  43          2HG2      ILE  43   5.592   2.290  17.008
  321   HG23  ILE  43          3HG2      ILE  43   5.547   0.515  17.012
  322   HD11  ILE  43          3HD1      ILE  43   1.696  -1.070  17.443
  323   HD12  ILE  43          1HD1      ILE  43   1.494   0.662  17.151
  324   HD13  ILE  43          2HD1      ILE  43   2.743  -0.247  16.273
  325    H    VAL  44           H        VAL  44   3.457   3.873  20.083
  326    HA   VAL  44           HA       VAL  44   2.252   2.715  22.573
  327    HB   VAL  44           HB       VAL  44   2.541   5.618  21.691
  328   HG11  VAL  44          1HG1      VAL  44   0.650   5.155  23.314
  329   HG12  VAL  44          2HG1      VAL  44   1.867   4.540  24.455
  330   HG13  VAL  44          3HG1      VAL  44   1.903   6.227  23.947
  331   HG21  VAL  44          3HG2      VAL  44   4.192   4.098  23.752
  332   HG22  VAL  44          1HG2      VAL  44   4.785   4.731  22.201
  333   HG23  VAL  44          2HG2      VAL  44   4.256   5.851  23.457
  334    H    ARG  45           H        ARG  45   0.098   2.164  22.379
  335    HA   ARG  45           HA       ARG  45  -1.615   3.545  20.353
  336    HE   ARG  45           HE       ARG  45  -0.369   3.619  18.676
  337    HB2  ARG  45           2HB      ARG  45  -1.540   0.581  21.113
  338    HB3  ARG  45           3HB      ARG  45  -2.791   1.323  20.131
  339    HG2  ARG  45           2HG      ARG  45   0.147   1.107  19.327
  340    HG3  ARG  45           3HG      ARG  45  -1.116   0.000  18.860
  341    HD2  ARG  45           2HD      ARG  45  -1.161   1.271  17.005
  342    HD3  ARG  45           3HD      ARG  45  -2.332   2.193  17.953
  343   HH11  ARG  45          1HH2      ARG  45  -0.327   2.192  15.389
  344   HH12  ARG  45          2HH2      ARG  45   1.198   2.952  15.007
  345   HH21  ARG  45          1HH1      ARG  45   1.612   4.420  18.158
  346   HH22  ARG  45          2HH1      ARG  45   2.246   4.270  16.526
  347    H    GLY  46           H        GLY  46  -3.627   4.192  21.337
  348    HA2  GLY  46           2HA      GLY  46  -4.662   2.731  23.572
  349    HA3  GLY  46           3HA      GLY  46  -3.913   4.235  24.128
  350    H    TYR  47           H        TYR  47  -6.791   3.094  23.729
  351    HA   TYR  47           HA       TYR  47  -7.958   5.535  22.483
  352    HD1  TYR  47           HD1      TYR  47  -7.810   5.686  19.667
  353    HD2  TYR  47           HD2      TYR  47  -6.722   1.691  20.884
  354    HE1  TYR  47           HE1      TYR  47  -6.048   5.642  17.927
  355    HE2  TYR  47           HE2      TYR  47  -4.971   1.631  19.129
  356    HH   TYR  47           HH       TYR  47  -4.352   4.423  16.934
  357    HB2  TYR  47           2HB      TYR  47  -8.724   2.702  21.741
  358    HB3  TYR  47           3HB      TYR  47  -9.351   4.203  21.062
  359    H    LYS  48           H        LYS  48  -9.995   6.092  23.217
  360    HA   LYS  48           HA       LYS  48 -10.628   5.315  25.868
  361    HB2  LYS  48           2HB      LYS  48 -11.049   7.516  24.738
  362    HB3  LYS  48           3HB      LYS  48 -12.374   6.768  23.836
  363    HG2  LYS  48           2HG      LYS  48 -13.555   6.320  25.984
  364    HG3  LYS  48           3HG      LYS  48 -12.189   7.024  26.874
  365    HD2  LYS  48           2HD      LYS  48 -12.573   9.197  25.675
  366    HD3  LYS  48           3HD      LYS  48 -13.973   8.464  24.859
  367    HE2  LYS  48           2HE      LYS  48 -14.963   7.997  27.139
  368    HE3  LYS  48           3HE      LYS  48 -13.610   8.879  27.859
  369    HZ1  LYS  48           3HZ      LYS  48 -14.337  10.858  26.586
  370    HZ2  LYS  48           1HZ      LYS  48 -15.620  10.017  26.007
  371    HZ3  LYS  48           2HZ      LYS  48 -15.507  10.322  27.607
  372    H    TRP  49           H        TRP  49 -11.920   4.096  22.777
  373    HA   TRP  49           HA       TRP  49 -14.246   2.897  23.920
  374    HD1  TRP  49           HD1      TRP  49 -12.727   4.376  19.956
  375    HE1  TRP  49           HE1      TRP  49 -10.626   3.676  18.682
  376    HE3  TRP  49           HE3      TRP  49 -12.100  -0.349  21.887
  377    HZ2  TRP  49           HZ2      TRP  49  -8.716   1.543  18.771
  378    HZ3  TRP  49           HZ3      TRP  49 -10.030  -1.612  21.393
  379    HH2  TRP  49           HH2      TRP  49  -8.294  -0.646  19.907
  380    HB2  TRP  49           2HB      TRP  49 -14.314   1.616  21.750
  381    HB3  TRP  49           3HB      TRP  49 -14.313   3.362  21.632
  382    H    ALA  50           H        ALA  50 -10.921   1.855  24.129
  383    HA   ALA  50           HA       ALA  50 -11.178  -0.893  23.868
  384    HB1  ALA  50           3HB      ALA  50  -9.128  -1.046  25.177
  385    HB2  ALA  50           1HB      ALA  50  -9.047   0.288  24.000
  386    HB3  ALA  50           2HB      ALA  50  -9.320   0.638  25.722
  387    H    GLU  51           H        GLU  51 -12.427  -2.323  24.888
  388    HA   GLU  51           HA       GLU  51 -13.684  -1.826  27.411
  389    HB2  GLU  51           2HB      GLU  51 -14.487  -3.331  25.566
  390    HB3  GLU  51           3HB      GLU  51 -13.229  -4.495  26.010
  391    HG2  GLU  51           2HG      GLU  51 -14.236  -4.725  28.260
  392    HG3  GLU  51           3HG      GLU  51 -15.411  -3.469  27.883
  393    H    TYR  52           H        TYR  52 -10.714  -3.494  26.479
  394    HA   TYR  52           HA       TYR  52  -9.637  -3.450  29.205
  395    HD1  TYR  52           HD1      TYR  52 -10.047  -5.163  31.226
  396    HD2  TYR  52           HD2      TYR  52 -12.143  -6.772  27.810
  397    HE1  TYR  52           HE1      TYR  52 -11.908  -5.849  32.699
  398    HE2  TYR  52           HE2      TYR  52 -14.003  -7.472  29.277
  399    HH   TYR  52           HH       TYR  52 -13.997  -6.876  32.819
  400    HB2  TYR  52           2HB      TYR  52  -9.896  -6.012  27.561
  401    HB3  TYR  52           3HB      TYR  52  -8.893  -5.842  28.989
  402    H    HIS  53           H        HIS  53  -7.215  -4.020  29.034
  403    HA   HIS  53           HA       HIS  53  -5.912  -2.758  26.865
  404    HD2  HIS  53           HD2      HIS  53  -3.734  -1.211  28.452
  405    HE1  HIS  53           HE1      HIS  53  -5.902  -1.368  32.108
  406    HE2  HIS  53           HE2      HIS  53  -4.427   0.095  30.598
  407    HB2  HIS  53           2HB      HIS  53  -4.887  -4.860  28.823
  408    HB3  HIS  53           3HB      HIS  53  -3.880  -3.814  27.819
  409    H    ALA  54           H        ALA  54  -6.998  -6.104  27.242
  410    HA   ALA  54           HA       ALA  54  -5.654  -7.311  25.054
  411    HB1  ALA  54           3HB      ALA  54  -7.488  -8.934  25.127
  412    HB2  ALA  54           1HB      ALA  54  -6.912  -8.566  26.764
  413    HB3  ALA  54           2HB      ALA  54  -8.437  -7.854  26.168
  414    H    ASP  55           H        ASP  55  -8.422  -5.073  25.127
  415    HA   ASP  55           HA       ASP  55  -9.495  -5.755  22.562
  416    HB2  ASP  55           2HB      ASP  55 -10.501  -4.403  24.582
  417    HB3  ASP  55           3HB      ASP  55  -9.675  -3.024  23.882
  418    H    ILE  56           H        ILE  56  -7.153  -3.308  23.716
  419    HA   ILE  56           HA       ILE  56  -6.721  -2.032  21.185
  420    HB   ILE  56           HB       ILE  56  -4.938  -2.229  23.649
  421   HG12  ILE  56          2HG1      ILE  56  -6.739   0.067  22.765
  422   HG13  ILE  56          3HG1      ILE  56  -7.230  -1.170  23.918
  423   HG21  ILE  56          1HG2      ILE  56  -3.598  -1.589  21.653
  424   HG22  ILE  56          2HG2      ILE  56  -4.755  -0.298  21.282
  425   HG23  ILE  56          3HG2      ILE  56  -3.747  -0.226  22.742
  426   HD11  ILE  56          3HD1      ILE  56  -5.528  -0.533  25.502
  427   HD12  ILE  56          1HD1      ILE  56  -4.884   0.684  24.378
  428   HD13  ILE  56          2HD1      ILE  56  -6.511   0.872  25.042
  429    H    TYR  57           H        TYR  57  -4.865  -4.626  22.942
  430    HA   TYR  57           HA       TYR  57  -2.921  -4.906  20.887
  431    HD1  TYR  57           HD1      TYR  57  -0.472  -6.101  21.725
  432    HD2  TYR  57           HD2      TYR  57  -3.649  -9.023  21.827
  433    HE1  TYR  57           HE1      TYR  57   1.063  -7.799  20.782
  434    HE2  TYR  57           HE2      TYR  57  -2.126 -10.718  20.861
  435    HH   TYR  57           HH       TYR  57   1.287 -10.034  19.977
  436    HB2  TYR  57           2HB      TYR  57  -2.579  -5.788  23.128
  437    HB3  TYR  57           3HB      TYR  57  -3.930  -6.911  22.927
  438    H    ASP  58           H        ASP  58  -6.118  -6.508  21.313
  439    HA   ASP  58           HA       ASP  58  -5.836  -8.364  19.190
  440    HB2  ASP  58           2HB      ASP  58  -7.607  -8.567  20.838
  441    HB3  ASP  58           3HB      ASP  58  -8.331  -7.042  20.310
  442    H    LYS  59           H        LYS  59  -7.218  -5.011  19.160
  443    HA   LYS  59           HA       LYS  59  -7.821  -5.033  16.350
  444    HB2  LYS  59           2HB      LYS  59  -7.147  -2.750  18.263
  445    HB3  LYS  59           3HB      LYS  59  -7.617  -2.486  16.584
  446    HG2  LYS  59           2HG      LYS  59  -9.340  -3.947  18.614
  447    HG3  LYS  59           3HG      LYS  59  -9.446  -2.216  18.253
  448    HD2  LYS  59           2HD      LYS  59  -9.995  -2.758  15.881
  449    HD3  LYS  59           3HD      LYS  59  -9.981  -4.491  16.294
  450    HE2  LYS  59           2HE      LYS  59 -11.754  -4.102  17.987
  451    HE3  LYS  59           3HE      LYS  59 -11.775  -2.383  17.576
  452    HZ1  LYS  59           3HZ      LYS  59 -12.495  -2.990  15.341
  453    HZ2  LYS  59           1HZ      LYS  59 -12.480  -4.589  15.727
  454    HZ3  LYS  59           2HZ      LYS  59 -13.539  -3.576  16.456
  455    H    VAL  60           H        VAL  60  -4.928  -3.922  18.170
  456    HA   VAL  60           HA       VAL  60  -3.714  -2.859  15.852
  457    HB   VAL  60           HB       VAL  60  -2.581  -3.643  18.566
  458   HG11  VAL  60          1HG1      VAL  60  -0.688  -3.577  17.004
  459   HG12  VAL  60          2HG1      VAL  60  -1.238  -2.025  16.348
  460   HG13  VAL  60          3HG1      VAL  60  -0.653  -2.142  18.022
  461   HG21  VAL  60          3HG2      VAL  60  -4.353  -1.751  18.360
  462   HG22  VAL  60          1HG2      VAL  60  -2.838  -1.346  19.143
  463   HG23  VAL  60          2HG2      VAL  60  -3.137  -0.855  17.452
  464    H    SER  61           H        SER  61  -3.296  -6.089  17.467
  465    HA   SER  61           HA       SER  61  -1.264  -6.945  15.635
  466    HG   SER  61           HG       SER  61  -3.571  -7.891  18.248
  467    HB2  SER  61           2HB      SER  61  -1.826  -9.233  16.457
  468    HB3  SER  61           3HB      SER  61  -1.444  -8.065  17.730
  469    H    GLY  62           H        GLY  62  -4.847  -7.044  15.475
  470    HA2  GLY  62           2HA      GLY  62  -5.085  -8.634  13.130
  471    HA3  GLY  62           3HA      GLY  62  -6.208  -7.368  13.671
  472    H    ASP  63           H        ASP  63  -4.814  -5.035  13.522
  473    HA   ASP  63           HA       ASP  63  -4.742  -4.445  10.743
  474    HB2  ASP  63           2HB      ASP  63  -5.159  -2.694  12.380
  475    HB3  ASP  63           3HB      ASP  63  -3.566  -2.935  13.102
  476    H    MET  64           H        MET  64  -2.037  -5.035  13.081
  477    HA   MET  64           HA       MET  64  -0.005  -4.429  11.230
  478    HB2  MET  64           2HB      MET  64  -0.063  -6.133  13.751
  479    HB3  MET  64           3HB      MET  64   1.394  -5.976  12.787
  480    HG2  MET  64           2HG      MET  64  -0.142  -3.694  14.070
  481    HG3  MET  64           3HG      MET  64   1.413  -4.324  14.587
  482    HE1  MET  64           3HE      MET  64   0.642  -1.176  13.919
  483    HE2  MET  64           1HE      MET  64   0.852  -0.751  12.200
  484    HE3  MET  64           2HE      MET  64  -0.455  -1.850  12.681
  485    H    GLN  65           H        GLN  65  -1.714  -7.545  11.823
  486    HA   GLN  65           HA       GLN  65  -0.011  -9.050  10.063
  487    HB2  GLN  65           2HB      GLN  65  -2.846  -9.412  11.088
  488    HB3  GLN  65           3HB      GLN  65  -2.097 -10.562   9.971
  489    HG2  GLN  65           2HG      GLN  65  -0.299 -11.051  11.496
  490    HG3  GLN  65           3HG      GLN  65  -0.759  -9.743  12.580
  491   HE21  GLN  65          2HE2      GLN  65  -2.837  -9.895  13.699
  492   HE22  GLN  65          1HE2      GLN  65  -3.493 -11.480  14.107
  493    H    LYS  66           H        LYS  66  -2.906  -7.000   9.457
  494    HA   LYS  66           HA       LYS  66  -3.042  -7.678   6.656
  495    HB2  LYS  66           2HB      LYS  66  -4.061  -5.223   8.159
  496    HB3  LYS  66           3HB      LYS  66  -4.379  -5.571   6.462
  497    HG2  LYS  66           2HG      LYS  66  -5.573  -7.626   7.033
  498    HG3  LYS  66           3HG      LYS  66  -5.146  -7.455   8.732
  499    HD2  LYS  66           2HD      LYS  66  -7.445  -6.757   8.434
  500    HD3  LYS  66           3HD      LYS  66  -6.450  -5.390   8.915
  501    HE2  LYS  66           2HE      LYS  66  -7.991  -4.636   7.239
  502    HE3  LYS  66           3HE      LYS  66  -6.372  -4.606   6.545
  503    HZ1  LYS  66           3HZ      LYS  66  -8.000  -5.540   5.024
  504    HZ2  LYS  66           1HZ      LYS  66  -6.904  -6.692   5.404
  505    HZ3  LYS  66           2HZ      LYS  66  -8.403  -6.720   6.079
  506    H    GLN  67           H        GLN  67  -1.145  -5.305   8.523
  507    HA   GLN  67           HA       GLN  67  -0.204  -3.870   6.205
  508    HB2  GLN  67           2HB      GLN  67   1.135  -4.138   8.939
  509    HB3  GLN  67           3HB      GLN  67   1.583  -3.009   7.675
  510    HG2  GLN  67           2HG      GLN  67  -0.993  -3.007   9.275
  511    HG3  GLN  67           3HG      GLN  67   0.321  -1.873   9.410
  512   HE21  GLN  67          2HE2      GLN  67  -2.667  -1.596   8.687
  513   HE22  GLN  67          1HE2      GLN  67  -2.619  -0.659   7.206
  514    H    GLY  68           H        GLY  68   1.237  -6.381   8.252
  515    HA2  GLY  68           2HA      GLY  68   2.458  -8.241   6.963
  516    HA3  GLY  68           3HA      GLY  68   3.368  -6.902   6.231
  517    H    CYS  69           H        CYS  69   2.206  -7.389   9.636
  518    HA   CYS  69           HA       CYS  69   4.958  -7.493  10.675
  519    HG   CYS  69           HG       CYS  69   4.561  -3.497  10.950
  520    HB2  CYS  69           2HB      CYS  69   2.837  -5.376  11.273
  521    HB3  CYS  69           3HB      CYS  69   4.212  -5.694  12.336
  522    H    ASP  70           H        ASP  70   4.772  -7.836  13.138
  523    HA   ASP  70           HA       ASP  70   2.260  -9.117  14.060
  524    HB2  ASP  70           2HB      ASP  70   3.693 -10.957  13.241
  525    HB3  ASP  70           3HB      ASP  70   5.025 -10.371  14.250
  526    H    CYS  71           H        CYS  71   2.361  -9.335  16.525
  527    HA   CYS  71           HA       CYS  71   3.787  -6.950  17.652
  528    HG   CYS  71           HG       CYS  71   2.228  -5.168  16.711
  529    HB2  CYS  71           2HB      CYS  71   0.916  -7.896  18.048
  530    HB3  CYS  71           3HB      CYS  71   1.659  -6.520  18.879
  531    H    GLU  72           H        GLU  72   4.177  -6.925  19.866
  532    HA   GLU  72           HA       GLU  72   3.469  -9.227  21.587
  533    HB2  GLU  72           2HB      GLU  72   5.714  -9.681  20.750
  534    HB3  GLU  72           3HB      GLU  72   6.220  -8.016  21.057
  535    HG2  GLU  72           2HG      GLU  72   5.917  -8.376  23.499
  536    HG3  GLU  72           3HG      GLU  72   5.392 -10.035  23.184
  537    H    CYS  73           H        CYS  73   2.249  -8.189  23.175
  538    HA   CYS  73           HA       CYS  73   2.496  -5.369  23.798
  539    HG   CYS  73           HG       CYS  73  -0.275  -8.318  25.781
  540    HB2  CYS  73           2HB      CYS  73   1.133  -6.203  25.859
  541    HB3  CYS  73           3HB      CYS  73   0.374  -6.218  24.264
  542    H    LEU  74           H        LEU  74   4.169  -4.487  24.917
  543    HA   LEU  74           HA       LEU  74   5.969  -6.203  26.516
  544    HG   LEU  74           HG       LEU  74   6.644  -4.328  23.968
  545    HB2  LEU  74           2HB      LEU  74   5.946  -3.191  26.025
  546    HB3  LEU  74           3HB      LEU  74   7.157  -4.064  26.958
  547   HD11  LEU  74          1HD1      LEU  74   8.960  -3.417  23.823
  548   HD12  LEU  74          2HD1      LEU  74   7.853  -2.295  24.620
  549   HD13  LEU  74          3HD1      LEU  74   8.998  -3.249  25.587
  550   HD21  LEU  74          3HD2      LEU  74   8.677  -5.805  23.960
  551   HD22  LEU  74          1HD2      LEU  74   8.609  -5.858  25.734
  552   HD23  LEU  74          2HD2      LEU  74   7.291  -6.542  24.751
  553    H    GLY  75           H        GLY  75   3.284  -3.955  26.938
  554    HA2  GLY  75           2HA      GLY  75   2.444  -4.706  29.456
  555    HA3  GLY  75           3HA      GLY  75   3.640  -3.432  29.728
  556    H    GLY  76           H        GLY  76   1.313  -2.515  30.507
  557    HA2  GLY  76           2HA      GLY  76   0.676  -0.494  28.504
  558    HA3  GLY  76           3HA      GLY  76  -0.674  -1.574  28.834
  559    H    GLY  77           H        GLY  77  -1.558   0.569  29.533
  560    HA2  GLY  77           2HA      GLY  77  -1.626   0.922  32.368
  561    HA3  GLY  77           3HA      GLY  77  -0.582   2.138  31.608
  562    H    ARG  78           H        ARG  78  -2.065   3.830  32.047
  563    HA   ARG  78           HA       ARG  78  -4.085   4.078  29.967
  564    HE   ARG  78           HE       ARG  78  -5.480   3.921  35.934
  565    HB2  ARG  78           2HB      ARG  78  -5.818   4.958  31.549
  566    HB3  ARG  78           3HB      ARG  78  -5.577   3.219  31.563
  567    HG2  ARG  78           2HG      ARG  78  -4.369   3.338  33.696
  568    HG3  ARG  78           3HG      ARG  78  -4.481   5.113  33.683
  569    HD2  ARG  78           2HD      ARG  78  -6.954   4.948  33.630
  570    HD3  ARG  78           3HD      ARG  78  -6.848   3.177  33.642
  571   HH11  ARG  78          1HH2      ARG  78  -8.775   4.454  34.700
  572   HH12  ARG  78          2HH2      ARG  78  -9.456   4.698  36.268
  573   HH21  ARG  78          2HH1      ARG  78  -6.348   4.190  37.952
  574   HH22  ARG  78          1HH1      ARG  78  -8.035   4.553  38.187
  575    H    ILE  79           H        ILE  79  -4.887   6.369  29.906
  576    HA   ILE  79           HA       ILE  79  -2.839   8.286  30.832
  577    HB   ILE  79           HB       ILE  79  -3.905   8.151  27.990
  578   HG12  ILE  79          2HG1      ILE  79  -1.262   7.128  29.072
  579   HG13  ILE  79          3HG1      ILE  79  -2.505   6.225  28.219
  580   HG21  ILE  79          1HG2      ILE  79  -3.276  10.427  28.727
  581   HG22  ILE  79          2HG2      ILE  79  -1.667   9.840  29.203
  582   HG23  ILE  79          3HG2      ILE  79  -2.174   9.862  27.499
  583   HD11  ILE  79          3HD1      ILE  79  -0.678   6.528  26.724
  584   HD12  ILE  79          1HD1      ILE  79  -2.009   7.548  26.147
  585   HD13  ILE  79          2HD1      ILE  79  -0.626   8.272  27.002
  586    H    SER  80           H        SER  80  -3.782  10.426  31.037
  587    HA   SER  80           HA       SER  80  -6.724  10.578  30.688
  588    HG   SER  80           HG       SER  80  -4.264  10.511  33.189
  589    HB2  SER  80           2HB      SER  80  -6.782  11.832  32.881
  590    HB3  SER  80           3HB      SER  80  -6.546  10.088  32.980
  591    H    HIS  81           H        HIS  81  -7.141  12.186  29.348
  592    HA   HIS  81           HA       HIS  81  -5.256  14.438  28.995
  593    HD1  HIS  81           HD1      HIS  81  -5.091  15.694  26.060
  594    HD2  HIS  81           HD2      HIS  81  -8.831  16.424  27.844
  595    HE1  HIS  81           HE1      HIS  81  -5.684  18.112  25.528
  596    HB2  HIS  81           2HB      HIS  81  -6.430  13.525  27.014
  597    HB3  HIS  81           3HB      HIS  81  -7.990  13.847  27.769
  598    H    GLN  82           H        GLN  82  -5.215  15.381  31.054
  599    HA   GLN  82           HA       GLN  82  -7.727  15.851  32.482
  600    HB2  GLN  82           2HB      GLN  82  -4.863  16.541  33.209
  601    HB3  GLN  82           3HB      GLN  82  -6.292  16.702  34.254
  602    HG2  GLN  82           2HG      GLN  82  -6.684  14.235  34.041
  603    HG3  GLN  82           3HG      GLN  82  -5.206  14.108  33.091
  604   HE21  GLN  82          2HE2      GLN  82  -4.503  12.549  34.694
  605   HE22  GLN  82          1HE2      GLN  82  -3.814  13.114  36.209
  606    H    SER  83           H        SER  83  -8.420  17.025  30.515
  607    HA   SER  83           HA       SER  83  -8.983  18.856  29.329
  608    HG   SER  83           HG       SER  83 -11.033  19.266  32.220
  609    HB2  SER  83           2HB      SER  83  -8.893  20.116  32.092
  610    HB3  SER  83           3HB      SER  83  -9.917  20.606  30.730
  611    H    GLN  84           H        GLN  84  -6.186  18.514  29.291
  612    HA   GLN  84           HA       GLN  84  -4.185  19.275  29.005
  613    HB2  GLN  84           2HB      GLN  84  -3.777  21.128  27.522
  614    HB3  GLN  84           3HB      GLN  84  -5.011  20.027  26.933
  615    HG2  GLN  84           2HG      GLN  84  -6.776  21.616  27.410
  616    HG3  GLN  84           3HG      GLN  84  -5.657  22.680  28.285
  617   HE21  GLN  84          2HE2      GLN  84  -6.100  21.157  25.018
  618   HE22  GLN  84          1HE2      GLN  84  -5.334  22.465  24.145
  619    H    ASP  85           H        ASP  85  -6.044  21.551  30.917
  620    HA   ASP  85           HA       ASP  85  -4.055  23.244  31.899
  621    HB2  ASP  85           2HB      ASP  85  -6.434  23.500  32.387
  622    HB3  ASP  85           3HB      ASP  85  -6.448  21.985  33.292
  623    H    LYS  86           H        LYS  86  -4.686  19.844  32.710
  624    HA   LYS  86           HA       LYS  86  -2.220  19.847  34.395
  625    HB2  LYS  86           2HB      LYS  86  -4.781  18.280  34.861
  626    HB3  LYS  86           3HB      LYS  86  -3.279  18.082  35.780
  627    HG2  LYS  86           2HG      LYS  86  -3.411  20.460  36.492
  628    HG3  LYS  86           3HG      LYS  86  -4.925  20.631  35.584
  629    HD2  LYS  86           2HD      LYS  86  -6.005  18.929  37.020
  630    HD3  LYS  86           3HD      LYS  86  -4.497  18.750  37.926
  631    HE2  LYS  86           2HE      LYS  86  -5.961  20.210  39.175
  632    HE3  LYS  86           3HE      LYS  86  -4.592  21.149  38.576
  633    HZ1  LYS  86           3HZ      LYS  86  -7.289  21.121  37.349
  634    HZ2  LYS  86           1HZ      LYS  86  -6.688  22.313  38.288
  635    HZ3  LYS  86           2HZ      LYS  86  -6.028  22.040  36.817
  636    H    LYS  87           H        LYS  87  -2.473  19.496  31.573
  637    HA   LYS  87           HA       LYS  87  -1.740  18.331  29.881
  638    HB2  LYS  87           2HB      LYS  87   0.402  18.192  30.018
  639    HB3  LYS  87           3HB      LYS  87   0.231  18.667  31.675
  640    HG2  LYS  87           2HG      LYS  87   0.791  15.886  30.593
  641    HG3  LYS  87           3HG      LYS  87   1.887  16.936  31.432
  642    HD2  LYS  87           2HD      LYS  87  -0.552  15.619  32.665
  643    HD3  LYS  87           3HD      LYS  87   1.073  15.011  32.770
  644    HE2  LYS  87           2HE      LYS  87   0.238  17.758  33.821
  645    HE3  LYS  87           3HE      LYS  87   0.266  16.296  34.798
  646    HZ1  LYS  87           3HZ      LYS  87   2.299  17.453  35.132
  647    HZ2  LYS  87           1HZ      LYS  87   2.654  16.095  34.278
  648    HZ3  LYS  87           2HZ      LYS  87   2.624  17.560  33.530
  649    H    ILE  88           H        ILE  88  -0.686  16.012  29.149
  650    HA   ILE  88           HA       ILE  88  -2.855  14.053  29.585
  651    HB   ILE  88           HB       ILE  88  -1.574  12.791  27.760
  652   HG12  ILE  88          2HG1      ILE  88  -0.509  15.578  27.076
  653   HG13  ILE  88          3HG1      ILE  88   0.475  14.273  27.732
  654   HG21  ILE  88          1HG2      ILE  88  -3.077  15.368  27.137
  655   HG22  ILE  88          2HG2      ILE  88  -2.885  13.989  26.026
  656   HG23  ILE  88          3HG2      ILE  88  -3.790  13.774  27.509
  657   HD11  ILE  88          3HD1      ILE  88   0.807  14.301  25.362
  658   HD12  ILE  88          1HD1      ILE  88  -0.167  12.863  25.736
  659   HD13  ILE  88          2HD1      ILE  88  -0.925  14.313  25.034
  660    H    HIS  89           H        HIS  89  -2.520  12.990  31.461
  661    HA   HIS  89           HA       HIS  89   0.294  12.459  32.306
  662    HD1  HIS  89           HD1      HIS  89   0.332  10.336  34.775
  663    HD2  HIS  89           HD2      HIS  89  -0.104  14.422  35.725
  664    HE1  HIS  89           HE1      HIS  89   1.930  10.814  36.682
  665    HB2  HIS  89           2HB      HIS  89  -1.532  13.668  33.763
  666    HB3  HIS  89           3HB      HIS  89  -2.154  12.045  34.032
  667    H    VAL  90           H        VAL  90   1.060  10.380  32.148
  668    HA   VAL  90           HA       VAL  90  -0.796   8.190  31.437
  669    HB   VAL  90           HB       VAL  90   2.232   8.302  31.661
  670   HG11  VAL  90          1HG1      VAL  90   2.186   6.233  30.298
  671   HG12  VAL  90          2HG1      VAL  90   1.405   6.010  31.869
  672   HG13  VAL  90          3HG1      VAL  90   0.412   6.210  30.410
  673   HG21  VAL  90          3HG2      VAL  90   2.194   8.295  29.146
  674   HG22  VAL  90          1HG2      VAL  90   0.449   8.594  29.212
  675   HG23  VAL  90          2HG2      VAL  90   1.585   9.790  29.859
  676    H    TYR  91           H        TYR  91  -1.058   6.361  32.897
  677    HA   TYR  91           HA       TYR  91   0.332   6.249  35.386
  678    HD1  TYR  91           HD2      TYR  91  -2.878   7.953  33.609
  679    HD2  TYR  91           HD1      TYR  91  -3.588   6.525  37.626
  680    HE1  TYR  91           HE2      TYR  91  -5.310   8.183  33.268
  681    HE2  TYR  91           HE1      TYR  91  -6.002   6.865  37.323
  682    HH   TYR  91           HH       TYR  91  -7.683   7.555  35.876
  683    HB2  TYR  91           2HB      TYR  91  -1.413   6.704  36.920
  684    HB3  TYR  91           3HB      TYR  91  -1.165   8.117  35.947
  685    H    GLY  92           H        GLY  92  -0.984   4.524  36.865
  686    HA2  GLY  92           2HA      GLY  92  -2.060   2.538  37.056
  687    HA3  GLY  92           3HA      GLY  92  -2.709   2.746  35.432
  688    H    TYR  93           H        TYR  93  -2.424   0.500  35.134
  689    HA   TYR  93           HA       TYR  93   0.057  -0.273  33.907
  690    HD1  TYR  93           HD2      TYR  93  -1.883  -3.579  35.868
  691    HD2  TYR  93           HD1      TYR  93  -0.479  -0.155  38.089
  692    HE1  TYR  93           HE2      TYR  93  -3.386  -4.181  37.734
  693    HE2  TYR  93           HE1      TYR  93  -1.951  -0.770  39.972
  694    HH   TYR  93           HH       TYR  93  -3.525  -2.295  40.779
  695    HB2  TYR  93           2HB      TYR  93   0.243  -2.384  35.265
  696    HB3  TYR  93           3HB      TYR  93   0.712  -0.923  36.108
  697    H    SER  94           H        SER  94  -0.366  -2.325  32.625
  698    HA   SER  94           HA       SER  94  -3.165  -2.588  31.865
  699    HG   SER  94           HG       SER  94  -2.172  -4.986  29.458
  700    HB2  SER  94           2HB      SER  94  -1.666  -2.940  30.102
  701    HB3  SER  94           3HB      SER  94  -0.646  -4.047  31.041
  702    H    MET  95           H        MET  95  -4.626  -3.963  32.699
  703    HA   MET  95           HA       MET  95  -3.914  -5.732  34.928
  704    HB2  MET  95           2HB      MET  95  -6.507  -5.277  33.384
  705    HB3  MET  95           3HB      MET  95  -6.333  -6.400  34.742
  706    HG2  MET  95           2HG      MET  95  -5.592  -4.534  36.197
  707    HG3  MET  95           3HG      MET  95  -5.853  -3.398  34.870
  708    HE1  MET  95           3HE      MET  95  -7.072  -3.255  37.884
  709    HE2  MET  95           1HE      MET  95  -7.290  -1.989  36.658
  710    HE3  MET  95           2HE      MET  95  -8.700  -2.639  37.518
  711    H    ALA  96           H        ALA  96  -3.911  -5.943  31.446
  712    HA   ALA  96           HA       ALA  96  -4.398  -8.844  31.399
  713    HB1  ALA  96           3HB      ALA  96  -4.196  -8.593  28.981
  714    HB2  ALA  96           1HB      ALA  96  -5.318  -7.378  29.624
  715    HB3  ALA  96           2HB      ALA  96  -3.660  -6.914  29.161
  716    H    TYR  97           H        TYR  97  -1.626  -6.588  31.248
  717    HA   TYR  97           HA       TYR  97   0.189  -8.936  30.822
  718    HD1  TYR  97           HD1      TYR  97  -0.737  -9.255  28.399
  719    HD2  TYR  97           HD2      TYR  97  -0.252  -4.964  28.287
  720    HE1  TYR  97           HE1      TYR  97  -2.463  -9.102  26.621
  721    HE2  TYR  97           HE2      TYR  97  -1.999  -4.807  26.540
  722    HH   TYR  97           HH       TYR  97  -3.568  -5.964  25.292
  723    HB2  TYR  97           2HB      TYR  97   0.886  -6.175  29.879
  724    HB3  TYR  97           3HB      TYR  97   1.475  -7.724  29.312
  725    H    GLY  98           H        GLY  98   0.202  -5.515  32.018
  726    HA2  GLY  98           2HA      GLY  98   1.057  -5.589  34.517
  727    HA3  GLY  98           3HA      GLY  98   2.555  -6.048  33.681
  728    HA   PRO  99           HA       PRO  99   2.158  -1.318  33.762
  729    HB2  PRO  99           2HB      PRO  99   4.973  -1.699  34.751
  730    HB3  PRO  99           3HB      PRO  99   3.753  -0.506  35.270
  731    HG2  PRO  99           2HG      PRO  99   4.364  -2.686  36.801
  732    HG3  PRO  99           3HG      PRO  99   2.680  -2.095  36.674
  733    HD2  PRO  99           2HD      PRO  99   3.972  -4.414  35.237
  734    HD3  PRO  99           3HD      PRO  99   2.341  -4.294  35.965
  735    H    ALA 100           H        ALA 100   2.731  -0.296  31.873
  736    HA   ALA 100           HA       ALA 100   4.625  -1.466  29.978
  737    HB1  ALA 100           3HB      ALA 100   3.254   1.253  30.178
  738    HB2  ALA 100           1HB      ALA 100   4.309   0.780  28.834
  739    HB3  ALA 100           2HB      ALA 100   2.799  -0.085  29.106
  740    H    GLN 101           H        GLN 101   6.551  -0.175  29.282
  741    HA   GLN 101           HA       GLN 101   8.077   0.918  31.531
  742    HB2  GLN 101           2HB      GLN 101   8.757   0.475  28.591
  743    HB3  GLN 101           3HB      GLN 101   9.866   1.156  29.795
  744    HG2  GLN 101           2HG      GLN 101   9.680  -0.920  31.150
  745    HG3  GLN 101           3HG      GLN 101   8.595  -1.619  29.952
  746   HE21  GLN 101          2HE2      GLN 101  11.967  -0.584  30.541
  747   HE22  GLN 101          1HE2      GLN 101  12.646  -1.448  29.181
  748    H    HIS 102           H        HIS 102   6.196   2.441  31.760
  749    HA   HIS 102           HA       HIS 102   5.168   4.151  29.954
  750    HD1  HIS 102           HD1      HIS 102   4.828   2.766  34.199
  751    HD2  HIS 102           HD2      HIS 102   2.430   4.024  30.993
  752    HE1  HIS 102           HE1      HIS 102   2.650   1.454  34.359
  753    HB2  HIS 102           2HB      HIS 102   5.767   4.832  32.851
  754    HB3  HIS 102           3HB      HIS 102   4.581   5.640  31.829
  755    H    ALA 103           H        ALA 103   8.322   4.736  31.558
  756    HA   ALA 103           HA       ALA 103   8.626   7.445  30.818
  757    HB1  ALA 103           3HB      ALA 103  11.035   7.039  31.117
  758    HB2  ALA 103           1HB      ALA 103  10.114   6.251  32.412
  759    HB3  ALA 103           2HB      ALA 103  10.771   5.285  31.069
  760    H    ILE 104           H        ILE 104   9.114   4.469  28.898
  761    HA   ILE 104           HA       ILE 104  10.454   5.785  26.680
  762    HB   ILE 104           HB       ILE 104   8.897   3.153  26.786
  763   HG12  ILE 104          2HG1      ILE 104  11.883   3.715  27.105
  764   HG13  ILE 104          3HG1      ILE 104  10.790   3.127  28.357
  765   HG21  ILE 104          1HG2      ILE 104   9.129   4.066  24.493
  766   HG22  ILE 104          2HG2      ILE 104  10.891   4.153  24.707
  767   HG23  ILE 104          3HG2      ILE 104  10.047   2.587  24.696
  768   HD11  ILE 104          3HD1      ILE 104  10.403   1.052  26.954
  769   HD12  ILE 104          1HD1      ILE 104  11.732   1.607  25.907
  770   HD13  ILE 104          2HD1      ILE 104  12.040   1.253  27.613
  771    H    SER 105           H        SER 105   7.072   4.674  27.377
  772    HA   SER 105           HA       SER 105   5.882   5.676  25.092
  773    HG   SER 105           HG       SER 105   5.144   3.488  26.060
  774    HB2  SER 105           2HB      SER 105   4.582   5.649  27.835
  775    HB3  SER 105           3HB      SER 105   3.813   5.423  26.258
  776    H    THR 106           H        THR 106   6.409   7.521  28.227
  777    HA   THR 106           HA       THR 106   4.984   9.780  27.252
  778    HB   THR 106           HB       THR 106   6.236  11.014  29.087
  779    HG1  THR 106           1HG      THR 106   8.079   9.777  29.350
  780   HG21  THR 106          3HG2      THR 106   4.887   8.431  29.967
  781   HG22  THR 106          1HG2      THR 106   4.973   9.989  30.828
  782   HG23  THR 106          2HG2      THR 106   4.017   9.844  29.352
  783    H    GLU 107           H        GLU 107   8.515   8.968  27.072
  784    HA   GLU 107           HA       GLU 107   9.199  11.482  25.911
  785    HB2  GLU 107           2HB      GLU 107  10.506   8.739  25.811
  786    HB3  GLU 107           3HB      GLU 107  11.219  10.175  25.068
  787    HG2  GLU 107           2HG      GLU 107  10.536   9.980  28.034
  788    HG3  GLU 107           3HG      GLU 107  12.123   9.643  27.351
  789    H    LYS 108           H        LYS 108   8.164   8.377  24.490
  790    HA   LYS 108           HA       LYS 108   8.509   9.123  21.742
  791    HB2  LYS 108           2HB      LYS 108   6.800   7.110  23.227
  792    HB3  LYS 108           3HB      LYS 108   6.501   7.412  21.509
  793    HG2  LYS 108           2HG      LYS 108   8.821   6.876  20.957
  794    HG3  LYS 108           3HG      LYS 108   9.185   6.574  22.665
  795    HD2  LYS 108           2HD      LYS 108   7.646   4.700  22.740
  796    HD3  LYS 108           3HD      LYS 108   7.040   5.036  21.110
  797    HE2  LYS 108           2HE      LYS 108   9.987   4.508  21.615
  798    HE3  LYS 108           3HE      LYS 108   8.852   3.164  21.422
  799    HZ1  LYS 108           3HZ      LYS 108   8.788   5.240  19.361
  800    HZ2  LYS 108           1HZ      LYS 108  10.034   4.140  19.346
  801    HZ3  LYS 108           2HZ      LYS 108   8.474   3.668  19.246
  802    H    ILE 109           H        ILE 109   5.600   9.394  23.886
  803    HA   ILE 109           HA       ILE 109   3.973  10.715  21.972
  804    HB   ILE 109           HB       ILE 109   4.016  10.915  25.009
  805   HG12  ILE 109          2HG1      ILE 109   2.009   9.371  23.315
  806   HG13  ILE 109          3HG1      ILE 109   3.496   8.618  23.839
  807   HG21  ILE 109          1HG2      ILE 109   1.701  11.781  24.845
  808   HG22  ILE 109          2HG2      ILE 109   2.812  12.869  24.035
  809   HG23  ILE 109          3HG2      ILE 109   1.808  11.773  23.073
  810   HD11  ILE 109          3HD1      ILE 109   2.898   9.091  26.225
  811   HD12  ILE 109          1HD1      ILE 109   1.336   9.742  25.674
  812   HD13  ILE 109          2HD1      ILE 109   1.732   8.045  25.397
  813    H    LYS 110           H        LYS 110   6.241  12.072  24.432
  814    HA   LYS 110           HA       LYS 110   5.712  14.771  23.873
  815    HB2  LYS 110           2HB      LYS 110   6.901  13.673  25.824
  816    HB3  LYS 110           3HB      LYS 110   8.370  13.601  24.844
  817    HG2  LYS 110           2HG      LYS 110   8.389  16.054  24.665
  818    HG3  LYS 110           3HG      LYS 110   6.812  16.159  25.458
  819    HD2  LYS 110           2HD      LYS 110   9.435  15.281  26.738
  820    HD3  LYS 110           3HD      LYS 110   8.521  16.770  27.040
  821    HE2  LYS 110           2HE      LYS 110   6.573  15.199  27.742
  822    HE3  LYS 110           3HE      LYS 110   7.791  13.914  27.797
  823    HZ1  LYS 110           3HZ      LYS 110   7.456  14.887  29.941
  824    HZ2  LYS 110           1HZ      LYS 110   8.977  15.330  29.446
  825    HZ3  LYS 110           2HZ      LYS 110   7.685  16.391  29.399
  826    H    ALA 111           H        ALA 111   8.159  12.596  22.376
  827    HA   ALA 111           HA       ALA 111   9.342  14.599  20.739
  828    HB1  ALA 111           3HB      ALA 111  10.417  12.436  21.207
  829    HB2  ALA 111           1HB      ALA 111   9.128  11.576  20.337
  830    HB3  ALA 111           2HB      ALA 111  10.223  12.666  19.458
  831    H    LYS 112           H        LYS 112   6.628  12.293  20.129
  832    HA   LYS 112           HA       LYS 112   6.368  13.195  17.363
  833    HB2  LYS 112           2HB      LYS 112   4.986  11.150  19.113
  834    HB3  LYS 112           3HB      LYS 112   4.222  11.666  17.618
  835    HG2  LYS 112           2HG      LYS 112   5.536   9.640  17.258
  836    HG3  LYS 112           3HG      LYS 112   6.101  10.990  16.276
  837    HD2  LYS 112           2HD      LYS 112   8.022  11.326  17.839
  838    HD3  LYS 112           3HD      LYS 112   7.419  10.000  18.839
  839    HE2  LYS 112           2HE      LYS 112   9.251   9.213  17.517
  840    HE3  LYS 112           3HE      LYS 112   7.778   8.423  16.978
  841    HZ1  LYS 112           3HZ      LYS 112   9.095  10.719  15.623
  842    HZ2  LYS 112           1HZ      LYS 112   9.158   9.164  15.124
  843    HZ3  LYS 112           2HZ      LYS 112   7.736   9.970  15.083
  844    H    TYR 113           H        TYR 113   4.970  14.226  20.375
  845    HA   TYR 113           HA       TYR 113   3.274  16.186  18.915
  846    HD1  TYR 113           HD1      TYR 113   0.281  15.721  18.787
  847    HD2  TYR 113           HD2      TYR 113   2.550  12.451  20.444
  848    HE1  TYR 113           HE1      TYR 113  -1.066  14.127  17.460
  849    HE2  TYR 113           HE2      TYR 113   1.213  10.847  19.095
  850    HH   TYR 113           HH       TYR 113  -1.437  11.876  16.929
  851    HB2  TYR 113           2HB      TYR 113   2.593  14.693  21.477
  852    HB3  TYR 113           3HB      TYR 113   1.678  16.024  20.791
  853    HA   PRO 114           HA       PRO 114   6.507  18.050  21.674
  854    HB2  PRO 114           2HB      PRO 114   7.703  19.772  19.952
  855    HB3  PRO 114           3HB      PRO 114   7.950  18.009  19.845
  856    HG2  PRO 114           2HG      PRO 114   5.965  19.682  18.261
  857    HG3  PRO 114           3HG      PRO 114   7.184  18.526  17.629
  858    HD2  PRO 114           2HD      PRO 114   4.589  17.799  18.083
  859    HD3  PRO 114           3HD      PRO 114   5.950  16.671  18.360
  860    H    ASP 115           H        ASP 115   3.961  18.644  22.239
  861    HA   ASP 115           HA       ASP 115   3.942  21.520  22.730
  862    HB2  ASP 115           2HB      ASP 115   2.715  21.227  20.541
  863    HB3  ASP 115           3HB      ASP 115   1.583  20.155  21.366
  864    H    TYR 116           H        TYR 116   2.088  21.948  24.312
  865    HA   TYR 116           HA       TYR 116   1.513  21.661  26.476
  866    HD1  TYR 116           HD2      TYR 116  -0.895  22.298  26.338
  867    HD2  TYR 116           HD1      TYR 116  -0.734  18.858  23.736
  868    HE1  TYR 116           HE2      TYR 116  -2.635  23.309  24.900
  869    HE2  TYR 116           HE1      TYR 116  -2.497  19.848  22.312
  870    HH   TYR 116           HH       TYR 116  -3.890  21.685  21.959
  871    HB2  TYR 116           2HB      TYR 116   0.600  18.885  25.672
  872    HB3  TYR 116           3HB      TYR 116   0.028  19.848  27.028
  873    H    GLU 117           H        GLU 117   1.670  18.673  27.654
  874    HA   GLU 117           HA       GLU 117   4.537  18.392  28.015
  875    HB2  GLU 117           2HB      GLU 117   3.909  20.184  29.639
  876    HB3  GLU 117           3HB      GLU 117   2.653  19.151  30.307
  877    HG2  GLU 117           2HG      GLU 117   4.615  19.246  31.755
  878    HG3  GLU 117           3HG      GLU 117   4.333  17.609  31.197
  879    H    VAL 118           H        VAL 118   4.905  16.336  29.297
  880    HA   VAL 118           HA       VAL 118   2.581  14.522  29.507
  881    HB   VAL 118           HB       VAL 118   5.067  13.538  28.087
  882   HG11  VAL 118          1HG1      VAL 118   3.573  11.797  27.275
  883   HG12  VAL 118          2HG1      VAL 118   3.355  11.958  29.028
  884   HG13  VAL 118          3HG1      VAL 118   2.155  12.643  27.927
  885   HG21  VAL 118          3HG2      VAL 118   2.719  14.762  26.603
  886   HG22  VAL 118          1HG2      VAL 118   4.402  15.323  26.572
  887   HG23  VAL 118          2HG2      VAL 118   3.996  13.757  25.881
  888    H    THR 119           H        THR 119   2.850  13.256  31.354
  889    HA   THR 119           HA       THR 119   5.536  12.625  32.347
  890    HB   THR 119           HB       THR 119   4.740  13.199  34.718
  891    HG1  THR 119           1HG      THR 119   2.641  13.678  34.481
  892   HG21  THR 119          3HG2      THR 119   6.459  14.521  33.514
  893   HG22  THR 119          1HG2      THR 119   5.180  15.595  32.899
  894   HG23  THR 119          2HG2      THR 119   5.493  15.480  34.646
  895    H    TRP 120           H        TRP 120   5.227  10.962  34.267
  896    HA   TRP 120           HA       TRP 120   2.765   9.428  33.917
  897    HD1  TRP 120           HD1      TRP 120   6.858   9.368  32.294
  898    HE1  TRP 120           HE1      TRP 120   9.024   8.451  33.271
  899    HE3  TRP 120           HE3      TRP 120   4.885   5.856  35.455
  900    HZ2  TRP 120           HZ2      TRP 120   9.824   6.394  35.157
  901    HZ3  TRP 120           HZ3      TRP 120   6.380   4.422  36.820
  902    HH2  TRP 120           HH2      TRP 120   8.845   4.682  36.678
  903    HB2  TRP 120           2HB      TRP 120   3.874   7.340  33.568
  904    HB3  TRP 120           3HB      TRP 120   4.316   8.453  32.304
  905    H    ALA 121           H        ALA 121   2.507   7.727  35.539
  906    HA   ALA 121           HA       ALA 121   4.260   7.714  37.878
  907    HB1  ALA 121           3HB      ALA 121   1.267   8.334  38.077
  908    HB2  ALA 121           1HB      ALA 121   2.341   7.985  39.449
  909    HB3  ALA 121           2HB      ALA 121   2.595   9.448  38.489
  910    H    ASN 122           H        ASN 122   3.541   5.815  39.321
  911    HA   ASN 122           HA       ASN 122   1.803   3.808  38.048
  912    HB2  ASN 122           2HB      ASN 122   4.025   3.407  37.043
  913    HB3  ASN 122           3HB      ASN 122   4.744   3.284  38.652
  914   HD21  ASN 122          2HD2      ASN 122   1.887   1.763  36.845
  915   HD22  ASN 122          1HD2      ASN 122   2.291   0.169  37.423
  916    H    ASP 123           H        ASP 123   1.830   5.569  40.488
  917    HA   ASP 123           HA       ASP 123   2.561   4.124  42.818
  918    HB2  ASP 123           2HB      ASP 123   2.277   6.552  42.761
  919    HB3  ASP 123           3HB      ASP 123   0.560   6.373  42.396
  920    H    GLY 124           H        GLY 124  -0.313   3.971  40.805
  921    HA2  GLY 124           2HA      GLY 124  -1.293   1.590  42.021
  922    HA3  GLY 124           3HA      GLY 124  -2.317   2.982  42.438
  923    H    TYR 125           H        TYR 125  -3.698   1.303  40.988
  924    HA   TYR 125           HA       TYR 125  -3.360   1.382  38.147
  925    HD1  TYR 125           HD1      TYR 125  -4.258  -0.314  36.592
  926    HD2  TYR 125           HD2      TYR 125  -7.761   1.359  38.472
  927    HE1  TYR 125           HE1      TYR 125  -5.423  -0.336  34.415
  928    HE2  TYR 125           HE2      TYR 125  -8.953   1.313  36.299
  929    HH   TYR 125           HH       TYR 125  -7.407   0.176  33.276
  930    HB2  TYR 125           2HB      TYR 125  -4.735  -0.338  39.220
  931    HB3  TYR 125           3HB      TYR 125  -5.859   0.897  39.793
  Start of MODEL    5
    1    HA   MET   1           HA       MET   1   9.343  -0.427  -2.602
    2    H1   MET   1           H1       MET   1   8.117   1.120  -3.895
    3    H2   MET   1           H2       MET   1   8.819   1.929  -2.632
    4    H3   MET   1           H3       MET   1   7.201   1.575  -2.620
    5    HB2  MET   1           2HB      MET   1   7.543   0.473  -0.302
    6    HB3  MET   1           3HB      MET   1   8.593  -0.940  -0.292
    7    HG2  MET   1           2HG      MET   1   9.817   0.652   0.868
    8    HG3  MET   1           3HG      MET   1  10.559   0.587  -0.722
    9    HE1  MET   1           3HE      MET   1   8.171   4.107   1.126
   10    HE2  MET   1           1HE      MET   1   7.378   2.547   0.837
   11    HE3  MET   1           2HE      MET   1   8.734   2.656   1.980
   12    H    ALA   2           H        ALA   2   8.530  -2.646  -2.227
   13    HA   ALA   2           HA       ALA   2   5.659  -3.049  -2.933
   14    HB1  ALA   2           3HB      ALA   2   8.068  -4.630  -3.944
   15    HB2  ALA   2           1HB      ALA   2   6.360  -4.932  -4.339
   16    HB3  ALA   2           2HB      ALA   2   7.138  -3.442  -4.894
   17    H    VAL   3           H        VAL   3   7.119  -2.937  -0.393
   18    HA   VAL   3           HA       VAL   3   6.108  -5.299   0.931
   19    HB   VAL   3           HB       VAL   3   8.401  -5.184   2.253
   20   HG11  VAL   3          1HG1      VAL   3   9.300  -7.064   1.006
   21   HG12  VAL   3          2HG1      VAL   3   7.544  -7.200   1.148
   22   HG13  VAL   3          3HG1      VAL   3   8.273  -6.685  -0.391
   23   HG21  VAL   3          3HG2      VAL   3   9.500  -4.465  -0.506
   24   HG22  VAL   3          1HG2      VAL   3   9.436  -3.355   0.894
   25   HG23  VAL   3          2HG2      VAL   3  10.401  -4.827   0.973
   26    H    ALA   4           H        ALA   4   5.757  -4.714   3.195
   27    HA   ALA   4           HA       ALA   4   5.499  -1.869   3.742
   28    HB1  ALA   4           3HB      ALA   4   5.180  -4.319   5.541
   29    HB2  ALA   4           1HB      ALA   4   4.750  -2.653   5.972
   30    HB3  ALA   4           2HB      ALA   4   3.877  -3.470   4.669
   31    H    ASP   5           H        ASP   5   6.529  -1.025   5.841
   32    HA   ASP   5           HA       ASP   5   9.033  -2.231   6.699
   33    HB2  ASP   5           2HB      ASP   5   9.758  -0.876   4.736
   34    HB3  ASP   5           3HB      ASP   5   8.983   0.549   5.443
   35    H    LEU   6           H        LEU   6   9.665  -1.250   8.756
   36    HA   LEU   6           HA       LEU   6   7.429  -0.573  10.393
   37    HG   LEU   6           HG       LEU   6   9.790  -2.628  10.677
   38    HB2  LEU   6           2HB      LEU   6  10.414  -0.238  10.885
   39    HB3  LEU   6           3HB      LEU   6   9.170  -0.021  12.115
   40   HD11  LEU   6          1HD1      LEU   6  10.289  -1.716  13.549
   41   HD12  LEU   6          2HD1      LEU   6  10.615  -3.330  12.875
   42   HD13  LEU   6          3HD1      LEU   6  11.519  -1.941  12.282
   43   HD21  LEU   6          3HD2      LEU   6   7.421  -2.641  11.250
   44   HD22  LEU   6          1HD2      LEU   6   8.266  -3.637  12.423
   45   HD23  LEU   6          2HD2      LEU   6   7.759  -2.000  12.877
   46    H    ALA   7           H        ALA   7   9.543   1.536   8.480
   47    HA   ALA   7           HA       ALA   7   9.064   3.962   9.883
   48    HB1  ALA   7           3HB      ALA   7   9.656   5.034   7.749
   49    HB2  ALA   7           1HB      ALA   7  10.759   3.684   8.098
   50    HB3  ALA   7           2HB      ALA   7   9.462   3.486   6.898
   51    H    LEU   8           H        LEU   8   6.911   2.044   7.838
   52    HA   LEU   8           HA       LEU   8   5.137   4.248   7.146
   53    HG   LEU   8           HG       LEU   8   6.534   1.739   5.602
   54    HB2  LEU   8           2HB      LEU   8   4.641   1.240   7.123
   55    HB3  LEU   8           3HB      LEU   8   3.658   2.461   6.327
   56   HD11  LEU   8          1HD1      LEU   8   3.933   1.257   4.093
   57   HD12  LEU   8          2HD1      LEU   8   5.570   0.762   3.596
   58   HD13  LEU   8          3HD1      LEU   8   4.814   0.032   5.024
   59   HD21  LEU   8          3HD2      LEU   8   6.164   4.105   5.100
   60   HD22  LEU   8          1HD2      LEU   8   6.178   3.175   3.602
   61   HD23  LEU   8          2HD2      LEU   8   4.627   3.723   4.285
   62    H    ILE   9           H        ILE   9   5.534   2.204   9.939
   63    HA   ILE   9           HA       ILE   9   2.727   2.422  10.770
   64    HB   ILE   9           HB       ILE   9   5.180   1.007  11.874
   65   HG12  ILE   9          2HG1      ILE   9   2.583  -0.209  10.841
   66   HG13  ILE   9          3HG1      ILE   9   3.891   0.185   9.742
   67   HG21  ILE   9          1HG2      ILE   9   3.798   1.650  13.805
   68   HG22  ILE   9          2HG2      ILE   9   2.349   0.984  13.015
   69   HG23  ILE   9          3HG2      ILE   9   3.667  -0.086  13.527
   70   HD11  ILE   9          3HD1      ILE   9   4.246  -1.703  12.092
   71   HD12  ILE   9          1HD1      ILE   9   3.920  -2.166  10.413
   72   HD13  ILE   9          2HD1      ILE   9   5.420  -1.319  10.822
   73    HA   PRO  10           HA       PRO  10   3.855   6.207  12.854
   74    HB2  PRO  10           2HB      PRO  10   1.653   6.617  14.469
   75    HB3  PRO  10           3HB      PRO  10   1.668   6.895  12.701
   76    HG2  PRO  10           2HG      PRO  10   0.678   4.458  14.198
   77    HG3  PRO  10           3HG      PRO  10  -0.126   5.342  12.865
   78    HD2  PRO  10           2HD      PRO  10   1.301   3.066  12.423
   79    HD3  PRO  10           3HD      PRO  10   1.331   4.414  11.249
   80    H    ASP  11           H        ASP  11   4.820   6.839  14.763
   81    HA   ASP  11           HA       ASP  11   5.800   4.859  16.574
   82    HB2  ASP  11           2HB      ASP  11   7.023   6.861  15.819
   83    HB3  ASP  11           3HB      ASP  11   5.847   7.902  16.619
   84    H    VAL  12           H        VAL  12   3.235   7.286  16.770
   85    HA   VAL  12           HA       VAL  12   2.151   6.131  19.256
   86    HB   VAL  12           HB       VAL  12   2.584   9.106  18.732
   87   HG11  VAL  12          1HG1      VAL  12   1.713   9.452  21.017
   88   HG12  VAL  12          2HG1      VAL  12   0.496   8.683  19.992
   89   HG13  VAL  12          3HG1      VAL  12   1.395   7.711  21.174
   90   HG21  VAL  12          3HG2      VAL  12   3.950   7.274  20.736
   91   HG22  VAL  12          1HG2      VAL  12   4.706   8.137  19.382
   92   HG23  VAL  12          2HG2      VAL  12   4.052   9.054  20.724
   93    H    ASP  13           H        ASP  13  -0.073   5.931  18.964
   94    HA   ASP  13           HA       ASP  13  -1.503   7.739  17.192
   95    HB2  ASP  13           2HB      ASP  13  -0.849   6.037  15.552
   96    HB3  ASP  13           3HB      ASP  13  -1.466   4.756  16.602
   97    H    ILE  14           H        ILE  14  -3.183   8.290  18.457
   98    HA   ILE  14           HA       ILE  14  -4.325   6.394  20.349
   99    HB   ILE  14           HB       ILE  14  -4.030   7.969  22.241
  100   HG12  ILE  14          2HG1      ILE  14  -2.113   9.513  20.436
  101   HG13  ILE  14          3HG1      ILE  14  -3.700  10.067  20.972
  102   HG21  ILE  14          1HG2      ILE  14  -1.789   7.338  22.837
  103   HG22  ILE  14          2HG2      ILE  14  -2.469   6.039  21.852
  104   HG23  ILE  14          3HG2      ILE  14  -1.310   7.167  21.134
  105   HD11  ILE  14          3HD1      ILE  14  -1.262   9.598  22.730
  106   HD12  ILE  14          1HD1      ILE  14  -2.053  11.132  22.340
  107   HD13  ILE  14          2HD1      ILE  14  -2.897   9.945  23.353
  108    H    ASP  15           H        ASP  15  -6.244   7.270  21.361
  109    HA   ASP  15           HA       ASP  15  -7.523   9.667  20.188
  110    HB2  ASP  15           2HB      ASP  15  -8.244   7.976  18.597
  111    HB3  ASP  15           3HB      ASP  15  -8.638   6.856  19.904
  112    H    SER  16           H        SER  16  -7.809  10.679  22.184
  113    HA   SER  16           HA       SER  16  -9.395   9.379  24.245
  114    HG   SER  16           HG       SER  16  -7.573   7.857  24.002
  115    HB2  SER  16           2HB      SER  16  -6.452  10.093  24.658
  116    HB3  SER  16           3HB      SER  16  -7.591   9.780  25.979
  117    H    ASP  17           H        ASP  17 -10.084  10.911  25.816
  118    HA   ASP  17           HA       ASP  17  -9.461  13.769  25.460
  119    HB2  ASP  17           2HB      ASP  17 -11.263  13.164  23.799
  120    HB3  ASP  17           3HB      ASP  17 -12.286  12.674  25.150
  121    H    GLY  18           H        GLY  18  -9.071  11.648  27.525
  122    HA2  GLY  18           2HA      GLY  18  -9.782  12.761  29.975
  123    HA3  GLY  18           3HA      GLY  18 -11.110  11.668  29.509
  124    H    VAL  19           H        VAL  19 -10.205  10.427  31.505
  125    HA   VAL  19           HA       VAL  19  -7.697   9.052  31.253
  126    HB   VAL  19           HB       VAL  19 -10.148   8.347  32.913
  127   HG11  VAL  19          1HG1      VAL  19  -8.623   6.425  32.628
  128   HG12  VAL  19          2HG1      VAL  19  -7.242   7.435  33.106
  129   HG13  VAL  19          3HG1      VAL  19  -8.521   7.054  34.280
  130   HG21  VAL  19          3HG2      VAL  19  -9.279  10.589  33.534
  131   HG22  VAL  19          1HG2      VAL  19  -8.972   9.403  34.796
  132   HG23  VAL  19          2HG2      VAL  19  -7.655   9.897  33.722
  133    H    PHE  20           H        PHE  20  -7.300   7.465  29.711
  134    HA   PHE  20           HA       PHE  20  -9.338   5.368  29.364
  135    HD1  PHE  20           HD1      PHE  20 -11.402   5.133  27.709
  136    HD2  PHE  20           HD2      PHE  20  -9.467   8.928  27.057
  137    HE1  PHE  20           HE1      PHE  20 -13.605   6.240  27.672
  138    HE2  PHE  20           HE2      PHE  20 -11.698  10.051  27.006
  139    HZ   PHE  20           HZ       PHE  20 -13.767   8.706  27.320
  140    HB2  PHE  20           2HB      PHE  20  -8.152   6.925  27.040
  141    HB3  PHE  20           3HB      PHE  20  -8.951   5.368  26.873
  142    H    LYS  21           H        LYS  21  -8.464   3.404  28.648
  143    HA   LYS  21           HA       LYS  21  -5.896   2.677  29.628
  144    HB2  LYS  21           2HB      LYS  21  -7.492   1.225  27.470
  145    HB3  LYS  21           3HB      LYS  21  -6.287   0.534  28.537
  146    HG2  LYS  21           2HG      LYS  21  -9.131   1.342  29.181
  147    HG3  LYS  21           3HG      LYS  21  -8.370  -0.246  29.275
  148    HD2  LYS  21           2HD      LYS  21  -6.872   0.811  31.138
  149    HD3  LYS  21           3HD      LYS  21  -8.062   2.104  31.174
  150    HE2  LYS  21           2HE      LYS  21  -8.534  -0.867  31.714
  151    HE3  LYS  21           3HE      LYS  21  -8.564   0.441  32.895
  152    HZ1  LYS  21           3HZ      LYS  21 -10.785  -0.149  32.338
  153    HZ2  LYS  21           1HZ      LYS  21 -10.545   1.314  31.627
  154    HZ3  LYS  21           2HZ      LYS  21 -10.538  -0.062  30.740
  155    H    TYR  22           H        TYR  22  -3.977   1.981  28.515
  156    HA   TYR  22           HA       TYR  22  -3.811   2.290  25.637
  157    HD1  TYR  22           HD1      TYR  22  -1.705   3.890  29.106
  158    HD2  TYR  22           HD2      TYR  22  -0.135   3.326  25.143
  159    HE1  TYR  22           HE1      TYR  22   0.556   3.649  30.055
  160    HE2  TYR  22           HE2      TYR  22   2.156   3.082  26.085
  161    HH   TYR  22           HH       TYR  22   3.475   3.300  27.969
  162    HB2  TYR  22           2HB      TYR  22  -2.396   4.026  25.453
  163    HB3  TYR  22           3HB      TYR  22  -3.030   4.531  26.997
  164    H    VAL  23           H        VAL  23  -1.749   1.282  24.837
  165    HA   VAL  23           HA       VAL  23  -0.448  -0.527  26.762
  166    HB   VAL  23           HB       VAL  23  -2.373  -1.738  25.927
  167   HG11  VAL  23          1HG1      VAL  23  -2.597  -2.391  23.552
  168   HG12  VAL  23          2HG1      VAL  23  -2.808  -0.652  23.809
  169   HG13  VAL  23          3HG1      VAL  23  -1.293  -1.260  23.133
  170   HG21  VAL  23          3HG2      VAL  23  -1.307  -3.743  25.032
  171   HG22  VAL  23          1HG2      VAL  23   0.182  -2.837  24.722
  172   HG23  VAL  23          2HG2      VAL  23  -0.388  -3.058  26.380
  173    H    LEU  24           H        LEU  24   1.606  -1.208  26.121
  174    HA   LEU  24           HA       LEU  24   2.930   0.435  24.002
  175    HG   LEU  24           HG       LEU  24   5.739  -0.960  24.970
  176    HB2  LEU  24           2HB      LEU  24   3.737   0.959  26.272
  177    HB3  LEU  24           3HB      LEU  24   3.916  -0.755  26.637
  178   HD11  LEU  24          1HD1      LEU  24   6.770   1.204  24.101
  179   HD12  LEU  24          2HD1      LEU  24   5.253   0.726  23.337
  180   HD13  LEU  24          3HD1      LEU  24   5.258   2.022  24.545
  181   HD21  LEU  24          3HD2      LEU  24   6.253  -0.458  27.313
  182   HD22  LEU  24          1HD2      LEU  24   7.420   0.319  26.232
  183   HD23  LEU  24          2HD2      LEU  24   6.145   1.290  26.989
  184    H    ILE  25           H        ILE  25   3.455  -0.831  22.250
  185    HA   ILE  25           HA       ILE  25   3.562  -3.793  22.670
  186    HB   ILE  25           HB       ILE  25   2.334  -2.297  20.321
  187   HG12  ILE  25          2HG1      ILE  25   0.953  -3.697  22.650
  188   HG13  ILE  25          3HG1      ILE  25   0.886  -1.973  22.270
  189   HG21  ILE  25          1HG2      ILE  25   1.586  -4.481  19.565
  190   HG22  ILE  25          2HG2      ILE  25   3.313  -4.565  19.825
  191   HG23  ILE  25          3HG2      ILE  25   2.217  -5.257  21.038
  192   HD11  ILE  25          3HD1      ILE  25  -0.263  -2.535  20.105
  193   HD12  ILE  25          1HD1      ILE  25  -0.364  -4.226  20.654
  194   HD13  ILE  25          2HD1      ILE  25  -1.187  -2.962  21.557
  195    H    ARG  26           H        ARG  26   5.275  -4.787  21.753
  196    HA   ARG  26           HA       ARG  26   7.223  -3.162  20.210
  197    HE   ARG  26           HE       ARG  26  11.491  -7.206  20.243
  198    HB2  ARG  26           2HB      ARG  26   8.108  -4.503  22.047
  199    HB3  ARG  26           3HB      ARG  26   7.376  -5.975  21.384
  200    HG2  ARG  26           2HG      ARG  26   8.847  -5.915  19.458
  201    HG3  ARG  26           3HG      ARG  26   9.424  -4.289  19.863
  202    HD2  ARG  26           2HD      ARG  26  10.438  -5.123  21.950
  203    HD3  ARG  26           3HD      ARG  26   9.785  -6.733  21.648
  204   HH11  ARG  26          1HH2      ARG  26  11.529  -3.648  20.757
  205   HH12  ARG  26          2HH2      ARG  26  13.089  -3.438  20.101
  206   HH21  ARG  26          1HH1      ARG  26  13.587  -6.905  19.346
  207   HH22  ARG  26          2HH1      ARG  26  14.290  -5.324  19.280
  208    H    VAL  27           H        VAL  27   7.136  -3.330  18.018
  209    HA   VAL  27           HA       VAL  27   5.312  -5.380  16.851
  210    HB   VAL  27           HB       VAL  27   4.415  -3.157  16.628
  211   HG11  VAL  27          1HG1      VAL  27   6.393  -1.738  16.797
  212   HG12  VAL  27          2HG1      VAL  27   6.996  -2.338  15.237
  213   HG13  VAL  27          3HG1      VAL  27   5.506  -1.370  15.315
  214   HG21  VAL  27          3HG2      VAL  27   4.084  -4.719  14.764
  215   HG22  VAL  27          1HG2      VAL  27   4.132  -3.034  14.214
  216   HG23  VAL  27          2HG2      VAL  27   5.536  -4.087  13.955
  217    H    HIS  28           H        HIS  28   6.124  -6.599  15.190
  218    HA   HIS  28           HA       HIS  28   9.074  -6.484  14.716
  219    HD1  HIS  28           HD1      HIS  28  10.102  -7.855  17.101
  220    HD2  HIS  28           HD2      HIS  28   6.161  -9.318  17.053
  221    HE1  HIS  28           HE1      HIS  28   9.497  -8.477  19.539
  222    HB2  HIS  28           2HB      HIS  28   7.247  -8.921  14.720
  223    HB3  HIS  28           3HB      HIS  28   9.003  -8.893  14.672
  224    H    SER  29           H        SER  29   9.605  -6.416  12.530
  225    HA   SER  29           HA       SER  29   7.453  -6.204  10.582
  226    HG   SER  29           HG       SER  29  10.946  -5.951  11.326
  227    HB2  SER  29           2HB      SER  29   9.334  -5.947   8.956
  228    HB3  SER  29           3HB      SER  29   9.307  -4.767  10.264
  229    H    ALA  30           H        ALA  30   6.891  -7.644   9.002
  230    HA   ALA  30           HA       ALA  30   8.471  -9.984   8.401
  231    HB1  ALA  30           3HB      ALA  30   7.193 -10.905  10.282
  232    HB2  ALA  30           1HB      ALA  30   5.669 -10.341   9.552
  233    HB3  ALA  30           2HB      ALA  30   6.632 -11.602   8.744
  234    HA   PRO  31           HA       PRO  31   5.951  -7.293   5.493
  235    HB2  PRO  31           2HB      PRO  31   8.347  -7.356   3.725
  236    HB3  PRO  31           3HB      PRO  31   7.417  -5.959   4.325
  237    HG2  PRO  31           2HG      PRO  31   9.918  -6.570   5.289
  238    HG3  PRO  31           3HG      PRO  31   8.637  -5.853   6.315
  239    HD2  PRO  31           2HD      PRO  31   9.473  -8.758   6.133
  240    HD3  PRO  31           3HD      PRO  31   9.113  -7.771   7.559
  241    H    ARG  32           H        ARG  32   4.789  -7.966   3.662
  242    HA   ARG  32           HA       ARG  32   3.714  -9.504   2.433
  243    HE   ARG  32           HE       ARG  32   5.645  -8.323  -1.312
  244    HB2  ARG  32           2HB      ARG  32   5.847  -8.804   1.080
  245    HB3  ARG  32           3HB      ARG  32   6.384 -10.460   1.379
  246    HG2  ARG  32           2HG      ARG  32   4.179 -11.227   0.307
  247    HG3  ARG  32           3HG      ARG  32   3.861  -9.539  -0.093
  248    HD2  ARG  32           2HD      ARG  32   6.294 -11.151  -0.973
  249    HD3  ARG  32           3HD      ARG  32   4.853 -10.868  -1.964
  250   HH11  ARG  32          1HH1      ARG  32   7.257 -11.073  -2.858
  251   HH12  ARG  32          2HH1      ARG  32   8.287 -10.097  -3.846
  252   HH21  ARG  32          1HH2      ARG  32   6.984  -7.024  -2.604
  253   HH22  ARG  32          2HH2      ARG  32   8.128  -7.731  -3.703
  254    H    SER  33           H        SER  33   4.669 -10.447   5.163
  255    HA   SER  33           HA       SER  33   4.866 -12.241   6.423
  256    HG   SER  33           HG       SER  33   2.172 -11.642   5.097
  257    HB2  SER  33           2HB      SER  33   3.077 -13.611   4.386
  258    HB3  SER  33           3HB      SER  33   3.303 -14.055   6.091
  259    H    GLY  34           H        GLY  34   7.028 -11.919   4.426
  260    HA2  GLY  34           2HA      GLY  34   8.369 -14.382   4.931
  261    HA3  GLY  34           3HA      GLY  34   7.731 -14.423   3.289
  262    H    ALA  35           H        ALA  35   8.526 -11.169   3.793
  263    HA   ALA  35           HA       ALA  35  10.842 -11.306   2.129
  264    HB1  ALA  35           3HB      ALA  35   9.885  -9.076   3.965
  265    HB2  ALA  35           1HB      ALA  35  11.025  -8.888   2.628
  266    HB3  ALA  35           2HB      ALA  35   9.333  -9.323   2.291
  267    HA   PRO  36           HA       PRO  36  13.911 -12.104   5.241
  268    HB2  PRO  36           2HB      PRO  36  16.225 -11.330   4.041
  269    HB3  PRO  36           3HB      PRO  36  15.197 -12.628   3.378
  270    HG2  PRO  36           2HG      PRO  36  15.205  -9.700   2.562
  271    HG3  PRO  36           3HG      PRO  36  15.358 -11.141   1.502
  272    HD2  PRO  36           2HD      PRO  36  12.961  -9.911   1.938
  273    HD3  PRO  36           3HD      PRO  36  13.083 -11.686   1.751
  274    H    ALA  37           H        ALA  37  12.511 -10.181   6.344
  275    HA   ALA  37           HA       ALA  37  14.508  -8.394   7.563
  276    HB1  ALA  37           3HB      ALA  37  11.848  -7.423   6.422
  277    HB2  ALA  37           1HB      ALA  37  12.940  -6.467   7.448
  278    HB3  ALA  37           2HB      ALA  37  13.468  -6.975   5.830
  279    H    ALA  38           H        ALA  38  14.158  -8.264   9.730
  280    HA   ALA  38           HA       ALA  38  11.612  -9.052  10.958
  281    HB1  ALA  38           3HB      ALA  38  12.664 -10.830  12.301
  282    HB2  ALA  38           1HB      ALA  38  12.800 -11.203  10.576
  283    HB3  ALA  38           2HB      ALA  38  14.213 -10.581  11.467
  284    H    GLU  39           H        GLU  39  13.133  -6.571  10.759
  285    HA   GLU  39           HA       GLU  39  14.443  -6.024  13.319
  286    HB2  GLU  39           2HB      GLU  39  13.322  -4.220  11.124
  287    HB3  GLU  39           3HB      GLU  39  14.168  -3.645  12.571
  288    HG2  GLU  39           2HG      GLU  39  16.177  -4.968  11.908
  289    HG3  GLU  39           3HG      GLU  39  15.359  -5.457  10.423
  290    H    SER  40           H        SER  40  13.401  -4.402  14.870
  291    HA   SER  40           HA       SER  40  10.451  -4.525  14.932
  292    HG   SER  40           HG       SER  40  12.167  -6.965  15.645
  293    HB2  SER  40           2HB      SER  40  12.207  -5.305  17.283
  294    HB3  SER  40           3HB      SER  40  10.443  -5.332  17.238
  295    H    LYS  41           H        LYS  41   9.579  -3.018  16.618
  296    HA   LYS  41           HA       LYS  41  11.404  -1.173  17.912
  297    HB2  LYS  41           2HB      LYS  41  10.611   0.877  17.011
  298    HB3  LYS  41           3HB      LYS  41  11.122  -0.104  15.646
  299    HG2  LYS  41           2HG      LYS  41   8.729  -0.646  15.154
  300    HG3  LYS  41           3HG      LYS  41   8.232   0.339  16.542
  301    HD2  LYS  41           2HD      LYS  41   9.394   2.314  15.474
  302    HD3  LYS  41           3HD      LYS  41   9.653   1.311  14.034
  303    HE2  LYS  41           2HE      LYS  41   7.145   0.970  13.909
  304    HE3  LYS  41           3HE      LYS  41   6.972   2.079  15.286
  305    HZ1  LYS  41           3HZ      LYS  41   6.626   3.293  13.258
  306    HZ2  LYS  41           1HZ      LYS  41   8.082   3.780  13.836
  307    HZ3  LYS  41           2HZ      LYS  41   7.930   2.710  12.573
  308    H    GLU  42           H        GLU  42   9.929   0.470  19.252
  309    HA   GLU  42           HA       GLU  42   7.564  -1.039  20.279
  310    HB2  GLU  42           2HB      GLU  42   9.334   1.142  21.449
  311    HB3  GLU  42           3HB      GLU  42   7.725   0.805  22.067
  312    HG2  GLU  42           2HG      GLU  42   9.228  -0.393  23.447
  313    HG3  GLU  42           3HG      GLU  42   8.342  -1.564  22.471
  314    H    ILE  43           H        ILE  43   5.548  -0.031  20.342
  315    HA   ILE  43           HA       ILE  43   5.247   2.688  19.206
  316    HB   ILE  43           HB       ILE  43   3.194   1.831  18.021
  317   HG12  ILE  43          2HG1      ILE  43   4.437  -0.936  18.248
  318   HG13  ILE  43          3HG1      ILE  43   3.079  -0.393  19.230
  319   HG21  ILE  43          1HG2      ILE  43   4.414   1.167  16.023
  320   HG22  ILE  43          2HG2      ILE  43   5.309   2.425  16.881
  321   HG23  ILE  43          3HG2      ILE  43   5.837   0.730  16.993
  322   HD11  ILE  43          3HD1      ILE  43   2.292  -1.735  17.371
  323   HD12  ILE  43          1HD1      ILE  43   1.705  -0.075  17.214
  324   HD13  ILE  43          2HD1      ILE  43   3.051  -0.651  16.197
  325    H    VAL  44           H        VAL  44   3.481   3.841  20.015
  326    HA   VAL  44           HA       VAL  44   2.295   2.719  22.529
  327    HB   VAL  44           HB       VAL  44   2.459   5.614  21.594
  328   HG11  VAL  44          1HG1      VAL  44   0.759   5.127  23.371
  329   HG12  VAL  44          2HG1      VAL  44   2.059   4.458  24.376
  330   HG13  VAL  44          3HG1      VAL  44   2.061   6.170  23.932
  331   HG21  VAL  44          3HG2      VAL  44   4.380   4.143  23.445
  332   HG22  VAL  44          1HG2      VAL  44   4.765   4.853  21.858
  333   HG23  VAL  44          2HG2      VAL  44   4.324   5.909  23.198
  334    H    ARG  45           H        ARG  45   0.119   2.272  22.530
  335    HA   ARG  45           HA       ARG  45  -1.632   3.382  20.367
  336    HE   ARG  45           HE       ARG  45  -0.274   3.309  18.733
  337    HB2  ARG  45           2HB      ARG  45  -1.495   0.521  21.429
  338    HB3  ARG  45           3HB      ARG  45  -2.656   1.113  20.256
  339    HG2  ARG  45           2HG      ARG  45   0.359   0.904  19.759
  340    HG3  ARG  45           3HG      ARG  45  -0.819  -0.310  19.353
  341    HD2  ARG  45           2HD      ARG  45  -0.671   0.708  17.327
  342    HD3  ARG  45           3HD      ARG  45  -2.015   1.633  17.997
  343   HH11  ARG  45          1HH2      ARG  45   0.184   1.534  15.661
  344   HH12  ARG  45          2HH2      ARG  45   1.635   2.411  15.274
  345   HH21  ARG  45          1HH1      ARG  45   1.623   4.314  18.213
  346   HH22  ARG  45          2HH1      ARG  45   2.427   4.063  16.674
  347    H    GLY  46           H        GLY  46  -3.747   3.920  21.180
  348    HA2  GLY  46           2HA      GLY  46  -4.736   2.937  23.709
  349    HA3  GLY  46           3HA      GLY  46  -3.947   4.508  23.903
  350    H    TYR  47           H        TYR  47  -6.865   2.939  23.047
  351    HA   TYR  47           HA       TYR  47  -7.883   5.438  21.766
  352    HD1  TYR  47           HD1      TYR  47  -7.421   5.384  18.719
  353    HD2  TYR  47           HD2      TYR  47  -6.466   1.594  20.542
  354    HE1  TYR  47           HE1      TYR  47  -5.556   5.106  17.132
  355    HE2  TYR  47           HE2      TYR  47  -4.604   1.295  18.913
  356    HH   TYR  47           HH       TYR  47  -3.874   3.713  16.372
  357    HB2  TYR  47           2HB      TYR  47  -8.603   2.630  20.931
  358    HB3  TYR  47           3HB      TYR  47  -9.062   4.146  20.165
  359    H    LYS  48           H        LYS  48  -9.700   6.139  22.654
  360    HA   LYS  48           HA       LYS  48 -10.663   5.150  25.022
  361    HB2  LYS  48           2HB      LYS  48 -12.433   6.799  24.849
  362    HB3  LYS  48           3HB      LYS  48 -10.887   7.457  24.320
  363    HG2  LYS  48           2HG      LYS  48 -11.633   7.148  21.935
  364    HG3  LYS  48           3HG      LYS  48 -13.201   6.572  22.537
  365    HD2  LYS  48           2HD      LYS  48 -13.422   8.760  23.800
  366    HD3  LYS  48           3HD      LYS  48 -11.973   9.337  22.975
  367    HE2  LYS  48           2HE      LYS  48 -14.541   8.414  21.598
  368    HE3  LYS  48           3HE      LYS  48 -14.152  10.095  21.973
  369    HZ1  LYS  48           3HZ      LYS  48 -13.576   9.592  19.688
  370    HZ2  LYS  48           1HZ      LYS  48 -12.162   9.859  20.503
  371    HZ3  LYS  48           2HZ      LYS  48 -12.534   8.390  20.133
  372    H    TRP  49           H        TRP  49 -11.730   3.971  21.889
  373    HA   TRP  49           HA       TRP  49 -14.270   2.986  22.831
  374    HD1  TRP  49           HD1      TRP  49 -12.545   4.269  18.925
  375    HE1  TRP  49           HE1      TRP  49 -10.382   3.606  17.761
  376    HE3  TRP  49           HE3      TRP  49 -11.731  -0.279  21.202
  377    HZ2  TRP  49           HZ2      TRP  49  -8.438   1.489  17.916
  378    HZ3  TRP  49           HZ3      TRP  49  -9.626  -1.492  20.788
  379    HH2  TRP  49           HH2      TRP  49  -7.961  -0.624  19.165
  380    HB2  TRP  49           2HB      TRP  49 -14.093   1.512  20.755
  381    HB3  TRP  49           3HB      TRP  49 -14.176   3.243  20.542
  382    H    ALA  50           H        ALA  50 -10.960   1.776  23.257
  383    HA   ALA  50           HA       ALA  50 -11.823  -0.961  23.732
  384    HB1  ALA  50           3HB      ALA  50  -9.527  -0.451  22.981
  385    HB2  ALA  50           1HB      ALA  50  -9.233   0.485  24.463
  386    HB3  ALA  50           2HB      ALA  50  -9.529  -1.265  24.551
  387    H    GLU  51           H        GLU  51 -12.863  -1.621  25.542
  388    HA   GLU  51           HA       GLU  51 -12.949  -0.054  27.979
  389    HB2  GLU  51           2HB      GLU  51 -13.699  -2.943  27.358
  390    HB3  GLU  51           3HB      GLU  51 -13.988  -2.167  28.910
  391    HG2  GLU  51           2HG      GLU  51 -15.163  -1.253  26.247
  392    HG3  GLU  51           3HG      GLU  51 -15.993  -2.225  27.451
  393    H    TYR  52           H        TYR  52 -10.897  -2.651  26.706
  394    HA   TYR  52           HA       TYR  52  -9.166  -2.603  29.100
  395    HD1  TYR  52           HD1      TYR  52  -9.808  -3.970  31.396
  396    HD2  TYR  52           HD2      TYR  52 -12.666  -5.119  28.370
  397    HE1  TYR  52           HE1      TYR  52 -11.613  -3.930  33.090
  398    HE2  TYR  52           HE2      TYR  52 -14.471  -5.083  30.067
  399    HH   TYR  52           HH       TYR  52 -13.885  -4.252  33.498
  400    HB2  TYR  52           2HB      TYR  52 -10.326  -5.135  27.864
  401    HB3  TYR  52           3HB      TYR  52  -9.141  -5.069  29.159
  402    H    HIS  53           H        HIS  53  -7.089  -3.471  28.702
  403    HA   HIS  53           HA       HIS  53  -5.877  -2.510  26.432
  404    HD2  HIS  53           HD2      HIS  53  -3.542  -1.165  28.264
  405    HE1  HIS  53           HE1      HIS  53  -5.961  -1.474  31.748
  406    HE2  HIS  53           HE2      HIS  53  -4.304   0.037  30.449
  407    HB2  HIS  53           2HB      HIS  53  -4.817  -4.730  28.238
  408    HB3  HIS  53           3HB      HIS  53  -3.871  -3.571  27.294
  409    H    ALA  54           H        ALA  54  -7.043  -5.824  26.979
  410    HA   ALA  54           HA       ALA  54  -5.602  -7.111  24.925
  411    HB1  ALA  54           3HB      ALA  54  -6.810  -8.301  26.723
  412    HB2  ALA  54           1HB      ALA  54  -8.367  -7.749  26.048
  413    HB3  ALA  54           2HB      ALA  54  -7.332  -8.851  25.118
  414    H    ASP  55           H        ASP  55  -8.548  -5.052  24.742
  415    HA   ASP  55           HA       ASP  55  -9.287  -6.028  22.108
  416    HB2  ASP  55           2HB      ASP  55 -10.767  -4.721  23.806
  417    HB3  ASP  55           3HB      ASP  55  -9.985  -3.275  23.170
  418    H    ILE  56           H        ILE  56  -7.269  -3.353  23.367
  419    HA   ILE  56           HA       ILE  56  -6.780  -2.119  20.825
  420    HB   ILE  56           HB       ILE  56  -4.905  -2.127  23.230
  421   HG12  ILE  56          2HG1      ILE  56  -7.097  -0.085  22.706
  422   HG13  ILE  56          3HG1      ILE  56  -7.227  -1.405  23.877
  423   HG21  ILE  56          1HG2      ILE  56  -4.244   0.130  22.197
  424   HG22  ILE  56          2HG2      ILE  56  -3.848  -1.276  21.212
  425   HG23  ILE  56          3HG2      ILE  56  -5.266  -0.293  20.817
  426   HD11  ILE  56          3HD1      ILE  56  -5.199   0.841  24.029
  427   HD12  ILE  56          1HD1      ILE  56  -6.620   0.598  25.052
  428   HD13  ILE  56          2HD1      ILE  56  -5.274  -0.556  25.119
  429    H    TYR  57           H        TYR  57  -4.951  -4.552  22.768
  430    HA   TYR  57           HA       TYR  57  -2.834  -4.996  20.959
  431    HD1  TYR  57           HD2      TYR  57  -0.947  -6.569  21.092
  432    HD2  TYR  57           HD1      TYR  57  -3.986  -9.095  22.817
  433    HE1  TYR  57           HE2      TYR  57   0.361  -8.575  20.452
  434    HE2  TYR  57           HE1      TYR  57  -2.699 -11.096  22.168
  435    HH   TYR  57           HH       TYR  57  -0.735 -11.897  21.144
  436    HB2  TYR  57           2HB      TYR  57  -2.768  -5.899  23.163
  437    HB3  TYR  57           3HB      TYR  57  -4.261  -6.793  22.933
  438    H    ASP  58           H        ASP  58  -6.083  -6.613  21.080
  439    HA   ASP  58           HA       ASP  58  -5.564  -8.399  18.943
  440    HB2  ASP  58           2HB      ASP  58  -7.394  -8.737  20.509
  441    HB3  ASP  58           3HB      ASP  58  -8.188  -7.257  19.960
  442    H    LYS  59           H        LYS  59  -7.176  -5.184  18.935
  443    HA   LYS  59           HA       LYS  59  -7.773  -5.091  16.166
  444    HB2  LYS  59           2HB      LYS  59  -7.088  -2.879  18.154
  445    HB3  LYS  59           3HB      LYS  59  -7.653  -2.543  16.524
  446    HG2  LYS  59           2HG      LYS  59  -9.366  -4.439  18.092
  447    HG3  LYS  59           3HG      LYS  59  -9.246  -2.806  18.738
  448    HD2  LYS  59           2HD      LYS  59  -9.985  -1.853  16.584
  449    HD3  LYS  59           3HD      LYS  59 -10.034  -3.475  15.879
  450    HE2  LYS  59           2HE      LYS  59 -12.277  -2.752  16.474
  451    HE3  LYS  59           3HE      LYS  59 -11.801  -4.153  17.454
  452    HZ1  LYS  59           3HZ      LYS  59 -11.610  -1.387  18.461
  453    HZ2  LYS  59           1HZ      LYS  59 -12.922  -2.369  18.712
  454    HZ3  LYS  59           2HZ      LYS  59 -11.484  -2.766  19.337
  455    H    VAL  60           H        VAL  60  -4.903  -3.882  17.942
  456    HA   VAL  60           HA       VAL  60  -3.708  -2.802  15.579
  457    HB   VAL  60           HB       VAL  60  -2.567  -3.482  18.326
  458   HG11  VAL  60          1HG1      VAL  60  -0.674  -1.965  17.740
  459   HG12  VAL  60          2HG1      VAL  60  -0.686  -3.413  16.739
  460   HG13  VAL  60          3HG1      VAL  60  -1.274  -1.884  16.065
  461   HG21  VAL  60          3HG2      VAL  60  -4.367  -1.660  18.146
  462   HG22  VAL  60          1HG2      VAL  60  -2.824  -1.123  18.780
  463   HG23  VAL  60          2HG2      VAL  60  -3.267  -0.773  17.089
  464    H    SER  61           H        SER  61  -3.317  -6.000  17.277
  465    HA   SER  61           HA       SER  61  -1.242  -6.945  15.555
  466    HG   SER  61           HG       SER  61  -2.376  -7.381  18.511
  467    HB2  SER  61           2HB      SER  61  -3.394  -8.542  16.999
  468    HB3  SER  61           3HB      SER  61  -1.845  -9.151  16.375
  469    H    GLY  62           H        GLY  62  -4.843  -6.964  15.195
  470    HA2  GLY  62           2HA      GLY  62  -4.940  -8.553  12.831
  471    HA3  GLY  62           3HA      GLY  62  -6.104  -7.304  13.334
  472    H    ASP  63           H        ASP  63  -4.724  -4.955  13.280
  473    HA   ASP  63           HA       ASP  63  -4.563  -4.347  10.498
  474    HB2  ASP  63           2HB      ASP  63  -5.078  -2.681  12.256
  475    HB3  ASP  63           3HB      ASP  63  -3.402  -2.768  12.821
  476    H    MET  64           H        MET  64  -1.955  -4.948  12.910
  477    HA   MET  64           HA       MET  64   0.176  -4.366  11.149
  478    HB2  MET  64           2HB      MET  64  -0.009  -6.122  13.633
  479    HB3  MET  64           3HB      MET  64   1.494  -5.936  12.736
  480    HG2  MET  64           2HG      MET  64  -0.074  -3.715  14.070
  481    HG3  MET  64           3HG      MET  64   1.483  -4.368  14.565
  482    HE1  MET  64           3HE      MET  64  -0.423  -1.816  12.645
  483    HE2  MET  64           1HE      MET  64   0.583  -1.209  13.984
  484    HE3  MET  64           2HE      MET  64   0.893  -0.678  12.312
  485    H    GLN  65           H        GLN  65  -1.613  -7.443  11.620
  486    HA   GLN  65           HA       GLN  65   0.135  -8.954   9.910
  487    HB2  GLN  65           2HB      GLN  65  -2.748  -9.282  10.798
  488    HB3  GLN  65           3HB      GLN  65  -1.982 -10.420   9.680
  489    HG2  GLN  65           2HG      GLN  65  -0.275 -11.015  11.269
  490    HG3  GLN  65           3HG      GLN  65  -0.722  -9.711  12.362
  491   HE21  GLN  65          2HE2      GLN  65  -2.790  -9.798  13.450
  492   HE22  GLN  65          1HE2      GLN  65  -3.548 -11.365  13.772
  493    H    LYS  66           H        LYS  66  -2.660  -6.799   9.221
  494    HA   LYS  66           HA       LYS  66  -2.686  -7.427   6.392
  495    HB2  LYS  66           2HB      LYS  66  -3.668  -4.919   7.839
  496    HB3  LYS  66           3HB      LYS  66  -3.950  -5.306   6.146
  497    HG2  LYS  66           2HG      LYS  66  -5.197  -7.338   6.773
  498    HG3  LYS  66           3HG      LYS  66  -4.906  -7.010   8.489
  499    HD2  LYS  66           2HD      LYS  66  -6.123  -4.856   8.295
  500    HD3  LYS  66           3HD      LYS  66  -6.441  -5.202   6.576
  501    HE2  LYS  66           2HE      LYS  66  -7.623  -7.293   7.230
  502    HE3  LYS  66           3HE      LYS  66  -7.316  -6.933   8.934
  503    HZ1  LYS  66           3HZ      LYS  66  -8.659  -4.938   8.696
  504    HZ2  LYS  66           1HZ      LYS  66  -8.951  -5.271   7.107
  505    HZ3  LYS  66           2HZ      LYS  66  -9.528  -6.266   8.279
  506    H    GLN  67           H        GLN  67  -0.758  -5.155   8.391
  507    HA   GLN  67           HA       GLN  67   0.392  -3.805   6.103
  508    HB2  GLN  67           2HB      GLN  67   1.698  -4.188   8.841
  509    HB3  GLN  67           3HB      GLN  67   2.130  -3.019   7.613
  510    HG2  GLN  67           2HG      GLN  67  -0.373  -3.047   9.320
  511    HG3  GLN  67           3HG      GLN  67   0.968  -1.934   9.430
  512   HE21  GLN  67          2HE2      GLN  67  -1.840  -1.238   9.145
  513   HE22  GLN  67          1HE2      GLN  67  -1.971  -0.381   7.621
  514    H    GLY  68           H        GLY  68   1.502  -6.453   8.201
  515    HA2  GLY  68           2HA      GLY  68   2.696  -8.395   7.111
  516    HA3  GLY  68           3HA      GLY  68   3.685  -7.169   6.285
  517    H    CYS  69           H        CYS  69   2.407  -7.485   9.671
  518    HA   CYS  69           HA       CYS  69   5.100  -7.555  10.828
  519    HG   CYS  69           HG       CYS  69   4.987  -5.357   9.186
  520    HB2  CYS  69           2HB      CYS  69   3.036  -5.330  11.198
  521    HB3  CYS  69           3HB      CYS  69   4.310  -5.657  12.385
  522    H    ASP  70           H        ASP  70   4.806  -7.762  13.287
  523    HA   ASP  70           HA       ASP  70   2.312  -9.134  14.152
  524    HB2  ASP  70           2HB      ASP  70   3.849 -10.892  13.343
  525    HB3  ASP  70           3HB      ASP  70   5.138 -10.246  14.365
  526    H    CYS  71           H        CYS  71   2.479  -9.420  16.677
  527    HA   CYS  71           HA       CYS  71   3.764  -6.973  17.831
  528    HG   CYS  71           HG       CYS  71  -0.004  -5.720  17.107
  529    HB2  CYS  71           2HB      CYS  71   0.877  -7.933  18.003
  530    HB3  CYS  71           3HB      CYS  71   1.545  -6.675  19.030
  531    H    GLU  72           H        GLU  72   4.127  -7.004  20.067
  532    HA   GLU  72           HA       GLU  72   3.102  -9.225  21.725
  533    HB2  GLU  72           2HB      GLU  72   5.337  -9.983  21.014
  534    HB3  GLU  72           3HB      GLU  72   6.029  -8.409  21.404
  535    HG2  GLU  72           2HG      GLU  72   6.617  -9.916  23.158
  536    HG3  GLU  72           3HG      GLU  72   5.468  -8.768  23.810
  537    H    CYS  73           H        CYS  73   2.244  -8.200  23.547
  538    HA   CYS  73           HA       CYS  73   2.608  -5.317  23.936
  539    HG   CYS  73           HG       CYS  73  -1.081  -6.480  24.831
  540    HB2  CYS  73           2HB      CYS  73   1.218  -7.445  25.618
  541    HB3  CYS  73           3HB      CYS  73   1.216  -5.706  25.973
  542    H    LEU  74           H        LEU  74   4.184  -4.393  25.135
  543    HA   LEU  74           HA       LEU  74   5.990  -6.078  26.774
  544    HG   LEU  74           HG       LEU  74   6.655  -4.129  24.213
  545    HB2  LEU  74           2HB      LEU  74   5.964  -3.064  26.294
  546    HB3  LEU  74           3HB      LEU  74   7.177  -3.956  27.209
  547   HD11  LEU  74          1HD1      LEU  74   9.089  -3.242  25.833
  548   HD12  LEU  74          2HD1      LEU  74   8.958  -3.278  24.065
  549   HD13  LEU  74          3HD1      LEU  74   7.942  -2.172  24.988
  550   HD21  LEU  74          3HD2      LEU  74   8.635  -5.675  24.153
  551   HD22  LEU  74          1HD2      LEU  74   8.561  -5.799  25.923
  552   HD23  LEU  74          2HD2      LEU  74   7.222  -6.395  24.905
  553    H    GLY  75           H        GLY  75   3.243  -3.898  27.113
  554    HA2  GLY  75           2HA      GLY  75   2.313  -4.721  29.558
  555    HA3  GLY  75           3HA      GLY  75   3.489  -3.454  29.950
  556    H    GLY  76           H        GLY  76   1.173  -2.578  30.692
  557    HA2  GLY  76           2HA      GLY  76   0.444  -0.546  28.711
  558    HA3  GLY  76           3HA      GLY  76  -0.862  -1.655  29.134
  559    H    GLY  77           H        GLY  77  -1.638   0.603  29.754
  560    HA2  GLY  77           2HA      GLY  77  -1.710   0.983  32.605
  561    HA3  GLY  77           3HA      GLY  77  -0.629   2.137  31.809
  562    H    ARG  78           H        ARG  78  -1.998   3.932  32.134
  563    HA   ARG  78           HA       ARG  78  -4.096   4.206  30.131
  564    HE   ARG  78           HE       ARG  78  -5.046   4.277  36.195
  565    HB2  ARG  78           2HB      ARG  78  -5.713   5.168  31.758
  566    HB3  ARG  78           3HB      ARG  78  -5.463   3.434  31.913
  567    HG2  ARG  78           2HG      ARG  78  -4.001   3.837  33.926
  568    HG3  ARG  78           3HG      ARG  78  -4.362   5.576  33.789
  569    HD2  ARG  78           2HD      ARG  78  -6.789   5.048  33.924
  570    HD3  ARG  78           3HD      ARG  78  -6.407   3.322  34.097
  571   HH11  ARG  78          1HH1      ARG  78  -8.412   4.779  35.153
  572   HH12  ARG  78          2HH1      ARG  78  -8.999   5.111  36.751
  573   HH21  ARG  78          1HH2      ARG  78  -5.811   4.748  38.278
  574   HH22  ARG  78          2HH2      ARG  78  -7.470   5.116  38.573
  575    H    ILE  79           H        ILE  79  -4.729   6.478  29.879
  576    HA   ILE  79           HA       ILE  79  -2.530   8.356  30.548
  577    HB   ILE  79           HB       ILE  79  -3.895   7.894  27.848
  578   HG12  ILE  79          2HG1      ILE  79  -1.002   7.446  28.679
  579   HG13  ILE  79          3HG1      ILE  79  -2.180   6.194  28.349
  580   HG21  ILE  79          1HG2      ILE  79  -3.478  10.284  28.178
  581   HG22  ILE  79          2HG2      ILE  79  -1.787   9.959  28.629
  582   HG23  ILE  79          3HG2      ILE  79  -2.376   9.667  26.974
  583   HD11  ILE  79          3HD1      ILE  79  -2.324   6.977  25.976
  584   HD12  ILE  79          1HD1      ILE  79  -0.988   8.109  26.314
  585   HD13  ILE  79          2HD1      ILE  79  -0.723   6.376  26.456
  586    H    SER  80           H        SER  80  -3.347  10.536  30.833
  587    HA   SER  80           HA       SER  80  -6.271  10.924  30.472
  588    HG   SER  80           HG       SER  80  -4.663  12.704  33.697
  589    HB2  SER  80           2HB      SER  80  -6.326  12.300  32.461
  590    HB3  SER  80           3HB      SER  80  -5.788  10.668  32.868
  591    H    HIS  81           H        HIS  81  -6.743  13.375  30.269
  592    HA   HIS  81           HA       HIS  81  -4.608  14.860  28.863
  593    HD1  HIS  81           HD1      HIS  81  -3.927  12.703  27.755
  594    HD2  HIS  81           HD2      HIS  81  -6.612  13.885  24.723
  595    HE1  HIS  81           HE1      HIS  81  -3.131  11.605  25.589
  596    HB2  HIS  81           2HB      HIS  81  -7.297  13.997  27.687
  597    HB3  HIS  81           3HB      HIS  81  -6.419  15.398  27.099
  598    H    GLN  82           H        GLN  82  -5.110  17.128  28.742
  599    HA   GLN  82           HA       GLN  82  -6.347  17.976  31.145
  600    HB2  GLN  82           2HB      GLN  82  -5.633  20.199  30.591
  601    HB3  GLN  82           3HB      GLN  82  -4.349  19.043  30.283
  602    HG2  GLN  82           2HG      GLN  82  -4.820  19.141  27.846
  603    HG3  GLN  82           3HG      GLN  82  -6.117  20.303  28.137
  604   HE21  GLN  82          2HE2      GLN  82  -3.474  20.556  26.579
  605   HE22  GLN  82          1HE2      GLN  82  -2.705  21.957  27.306
  606    H    SER  83           H        SER  83  -7.944  17.225  28.343
  607    HA   SER  83           HA       SER  83 -10.072  18.945  28.042
  608    HG   SER  83           HG       SER  83 -10.005  16.407  25.819
  609    HB2  SER  83           2HB      SER  83  -9.982  15.908  28.284
  610    HB3  SER  83           3HB      SER  83 -11.254  16.825  27.451
  611    H    GLN  84           H        GLN  84  -9.502  16.537  30.659
  612    HA   GLN  84           HA       GLN  84 -11.470  17.836  32.385
  613    HB2  GLN  84           2HB      GLN  84 -12.828  15.802  32.697
  614    HB3  GLN  84           3HB      GLN  84 -12.917  16.412  31.054
  615    HG2  GLN  84           2HG      GLN  84 -11.300  14.672  30.311
  616    HG3  GLN  84           3HG      GLN  84 -11.247  14.026  31.953
  617   HE21  GLN  84          2HE2      GLN  84 -12.703  13.612  28.942
  618   HE22  GLN  84          1HE2      GLN  84 -14.156  12.790  29.491
  619    H    ASP  85           H        ASP  85  -8.469  17.000  32.244
  620    HA   ASP  85           HA       ASP  85  -8.258  16.034  35.001
  621    HB2  ASP  85           2HB      ASP  85  -8.321  13.992  33.453
  622    HB3  ASP  85           3HB      ASP  85  -6.800  14.572  32.776
  623    H    LYS  86           H        LYS  86  -5.374  15.657  34.753
  624    HA   LYS  86           HA       LYS  86  -4.481  18.463  34.656
  625    HB2  LYS  86           2HB      LYS  86  -3.020  15.825  35.170
  626    HB3  LYS  86           3HB      LYS  86  -2.314  17.436  35.392
  627    HG2  LYS  86           2HG      LYS  86  -3.991  17.953  37.139
  628    HG3  LYS  86           3HG      LYS  86  -4.674  16.331  36.986
  629    HD2  LYS  86           2HD      LYS  86  -1.808  16.952  37.810
  630    HD3  LYS  86           3HD      LYS  86  -3.141  16.568  38.913
  631    HE2  LYS  86           2HE      LYS  86  -3.424  14.354  37.787
  632    HE3  LYS  86           3HE      LYS  86  -2.046  14.711  36.749
  633    HZ1  LYS  86           3HZ      LYS  86  -1.397  13.362  38.625
  634    HZ2  LYS  86           1HZ      LYS  86  -0.659  14.827  38.748
  635    HZ3  LYS  86           2HZ      LYS  86  -1.953  14.471  39.697
  636    H    LYS  87           H        LYS  87  -2.094  18.491  33.560
  637    HA   LYS  87           HA       LYS  87  -2.282  18.173  30.746
  638    HB2  LYS  87           2HB      LYS  87   0.262  18.294  30.809
  639    HB3  LYS  87           3HB      LYS  87  -0.644  19.659  31.430
  640    HG2  LYS  87           2HG      LYS  87   1.378  19.141  32.716
  641    HG3  LYS  87           3HG      LYS  87  -0.088  19.176  33.687
  642    HD2  LYS  87           2HD      LYS  87  -0.132  16.761  33.850
  643    HD3  LYS  87           3HD      LYS  87   1.213  16.590  32.711
  644    HE2  LYS  87           2HE      LYS  87   1.446  18.180  35.307
  645    HE3  LYS  87           3HE      LYS  87   1.675  16.421  35.262
  646    HZ1  LYS  87           3HZ      LYS  87   3.304  18.327  33.650
  647    HZ2  LYS  87           1HZ      LYS  87   3.779  17.618  35.041
  648    HZ3  LYS  87           2HZ      LYS  87   3.456  16.701  33.727
  649    H    ILE  88           H        ILE  88  -0.718  16.632  29.448
  650    HA   ILE  88           HA       ILE  88  -1.986  14.163  29.763
  651    HB   ILE  88           HB       ILE  88   0.576  14.630  28.198
  652   HG12  ILE  88          2HG1      ILE  88  -2.336  15.026  27.364
  653   HG13  ILE  88          3HG1      ILE  88  -1.115  16.291  27.533
  654   HG21  ILE  88          1HG2      ILE  88  -1.633  12.565  27.824
  655   HG22  ILE  88          2HG2      ILE  88  -0.136  12.695  26.877
  656   HG23  ILE  88          3HG2      ILE  88  -0.054  12.229  28.565
  657   HD11  ILE  88          3HD1      ILE  88  -1.379  15.844  25.207
  658   HD12  ILE  88          1HD1      ILE  88   0.209  15.227  25.691
  659   HD13  ILE  88          2HD1      ILE  88  -1.156  14.108  25.426
  660    H    HIS  89           H        HIS  89  -1.660  12.486  31.069
  661    HA   HIS  89           HA       HIS  89   0.976  12.140  32.346
  662    HD1  HIS  89           HD1      HIS  89  -0.684  10.079  35.476
  663    HD2  HIS  89           HD2      HIS  89   1.864  13.385  34.889
  664    HE1  HIS  89           HE1      HIS  89   1.309   9.752  37.017
  665    HB2  HIS  89           2HB      HIS  89  -0.615  13.515  33.792
  666    HB3  HIS  89           3HB      HIS  89  -1.643  12.078  33.885
  667    H    VAL  90           H        VAL  90   1.411   9.973  32.872
  668    HA   VAL  90           HA       VAL  90  -0.486   7.961  31.780
  669    HB   VAL  90           HB       VAL  90   2.526   8.062  31.340
  670   HG11  VAL  90          1HG1      VAL  90   2.104   6.288  29.698
  671   HG12  VAL  90          2HG1      VAL  90   1.498   5.828  31.299
  672   HG13  VAL  90          3HG1      VAL  90   0.360   6.354  30.063
  673   HG21  VAL  90          3HG2      VAL  90   0.283   9.003  29.508
  674   HG22  VAL  90          1HG2      VAL  90   1.707   9.898  30.052
  675   HG23  VAL  90          2HG2      VAL  90   1.903   8.562  28.914
  676    H    TYR  91           H        TYR  91  -0.624   6.077  33.033
  677    HA   TYR  91           HA       TYR  91   1.177   5.501  35.212
  678    HD1  TYR  91           HD1      TYR  91  -1.539   8.345  34.157
  679    HD2  TYR  91           HD2      TYR  91  -2.669   5.994  37.602
  680    HE1  TYR  91           HE1      TYR  91  -3.826   9.199  33.969
  681    HE2  TYR  91           HE2      TYR  91  -4.945   6.882  37.446
  682    HH   TYR  91           HH       TYR  91  -6.413   8.265  36.273
  683    HB2  TYR  91           2HB      TYR  91  -0.426   6.024  37.006
  684    HB3  TYR  91           3HB      TYR  91   0.147   7.449  36.199
  685    H    GLY  92           H        GLY  92  -0.030   3.759  36.705
  686    HA2  GLY  92           2HA      GLY  92  -1.738   2.157  36.881
  687    HA3  GLY  92           3HA      GLY  92  -2.018   2.201  35.148
  688    H    TYR  93           H        TYR  93  -1.918  -0.222  35.786
  689    HA   TYR  93           HA       TYR  93   0.754  -1.228  35.060
  690    HD1  TYR  93           HD2      TYR  93  -2.015  -3.801  36.897
  691    HD2  TYR  93           HD1      TYR  93  -0.363  -0.483  39.119
  692    HE1  TYR  93           HE2      TYR  93  -3.857  -3.990  38.536
  693    HE2  TYR  93           HE1      TYR  93  -2.186  -0.683  40.772
  694    HH   TYR  93           HH       TYR  93  -4.107  -1.863  41.406
  695    HB2  TYR  93           2HB      TYR  93   0.534  -3.032  36.793
  696    HB3  TYR  93           3HB      TYR  93   0.885  -1.424  37.366
  697    H    SER  94           H        SER  94  -1.727  -0.866  33.604
  698    HA   SER  94           HA       SER  94  -3.207  -1.820  32.247
  699    HG   SER  94           HG       SER  94  -1.117  -4.487  33.129
  700    HB2  SER  94           2HB      SER  94  -2.581  -3.613  30.891
  701    HB3  SER  94           3HB      SER  94  -1.045  -2.894  31.398
  702    H    MET  95           H        MET  95  -4.502  -4.085  31.840
  703    HA   MET  95           HA       MET  95  -5.218  -5.346  34.431
  704    HB2  MET  95           2HB      MET  95  -7.105  -4.345  32.244
  705    HB3  MET  95           3HB      MET  95  -7.586  -5.465  33.523
  706    HG2  MET  95           2HG      MET  95  -7.009  -3.820  35.241
  707    HG3  MET  95           3HG      MET  95  -6.537  -2.655  34.005
  708    HE1  MET  95           3HE      MET  95  -8.783  -2.531  36.498
  709    HE2  MET  95           1HE      MET  95  -8.269  -1.100  35.587
  710    HE3  MET  95           2HE      MET  95 -10.000  -1.482  35.741
  711    H    ALA  96           H        ALA  96  -3.304  -5.982  32.116
  712    HA   ALA  96           HA       ALA  96  -4.484  -8.587  31.313
  713    HB1  ALA  96           3HB      ALA  96  -4.022  -8.119  28.936
  714    HB2  ALA  96           1HB      ALA  96  -5.214  -6.986  29.602
  715    HB3  ALA  96           2HB      ALA  96  -3.528  -6.465  29.353
  716    H    TYR  97           H        TYR  97  -1.482  -6.588  31.619
  717    HA   TYR  97           HA       TYR  97   0.042  -9.131  31.283
  718    HD1  TYR  97           HD2      TYR  97  -0.464  -9.350  28.164
  719    HD2  TYR  97           HD1      TYR  97  -0.300  -5.160  29.179
  720    HE1  TYR  97           HE2      TYR  97  -2.090  -8.853  26.356
  721    HE2  TYR  97           HE1      TYR  97  -1.897  -4.650  27.369
  722    HH   TYR  97           HH       TYR  97  -3.257  -5.542  25.643
  723    HB2  TYR  97           2HB      TYR  97   1.283  -6.695  30.103
  724    HB3  TYR  97           3HB      TYR  97   1.385  -8.363  29.614
  725    H    GLY  98           H        GLY  98   0.362  -5.649  32.124
  726    HA2  GLY  98           2HA      GLY  98   1.283  -5.612  34.654
  727    HA3  GLY  98           3HA      GLY  98   2.720  -6.131  33.744
  728    HA   PRO  99           HA       PRO  99   2.115  -1.428  33.558
  729    HB2  PRO  99           2HB      PRO  99   4.591  -0.716  34.596
  730    HB3  PRO  99           3HB      PRO  99   3.100  -0.890  35.569
  731    HG2  PRO  99           2HG      PRO  99   5.342  -2.881  35.170
  732    HG3  PRO  99           3HG      PRO  99   4.471  -2.471  36.682
  733    HD2  PRO  99           2HD      PRO  99   3.894  -4.697  35.208
  734    HD3  PRO  99           3HD      PRO  99   2.617  -3.792  36.070
  735    H    ALA 100           H        ALA 100   2.661  -0.379  31.767
  736    HA   ALA 100           HA       ALA 100   4.622  -1.414  29.879
  737    HB1  ALA 100           3HB      ALA 100   3.102   1.214  30.117
  738    HB2  ALA 100           1HB      ALA 100   4.198   0.832  28.773
  739    HB3  ALA 100           2HB      ALA 100   2.732  -0.126  29.019
  740    H    GLN 101           H        GLN 101   6.558  -0.160  29.286
  741    HA   GLN 101           HA       GLN 101   7.943   1.042  31.588
  742    HB2  GLN 101           2HB      GLN 101   8.818   0.483  28.724
  743    HB3  GLN 101           3HB      GLN 101   9.832   1.250  29.963
  744    HG2  GLN 101           2HG      GLN 101   9.524  -0.760  31.429
  745    HG3  GLN 101           3HG      GLN 101   8.615  -1.548  30.136
  746   HE21  GLN 101          2HE2      GLN 101   9.781  -2.027  28.084
  747   HE22  GLN 101          1HE2      GLN 101  11.524  -2.217  28.144
  748    H    HIS 102           H        HIS 102   6.188   2.622  31.774
  749    HA   HIS 102           HA       HIS 102   5.248   4.308  29.864
  750    HD1  HIS 102           HD1      HIS 102   4.920   3.132  34.219
  751    HD2  HIS 102           HD2      HIS 102   2.509   3.974  30.905
  752    HE1  HIS 102           HE1      HIS 102   2.875   1.642  34.416
  753    HB2  HIS 102           2HB      HIS 102   5.746   5.140  32.736
  754    HB3  HIS 102           3HB      HIS 102   4.541   5.807  31.639
  755    H    ALA 103           H        ALA 103   8.457   4.681  31.343
  756    HA   ALA 103           HA       ALA 103   8.916   7.400  30.603
  757    HB1  ALA 103           3HB      ALA 103  11.295   6.800  30.746
  758    HB2  ALA 103           1HB      ALA 103  10.399   6.127  32.120
  759    HB3  ALA 103           2HB      ALA 103  10.886   5.074  30.769
  760    H    ILE 104           H        ILE 104   9.161   4.344  28.732
  761    HA   ILE 104           HA       ILE 104  10.381   5.562  26.401
  762    HB   ILE 104           HB       ILE 104   8.743   2.989  26.678
  763   HG12  ILE 104          2HG1      ILE 104  11.758   3.446  26.804
  764   HG13  ILE 104          3HG1      ILE 104  10.719   2.940  28.136
  765   HG21  ILE 104          1HG2      ILE 104  10.636   3.849  24.452
  766   HG22  ILE 104          2HG2      ILE 104   9.754   2.316  24.544
  767   HG23  ILE 104          3HG2      ILE 104   8.859   3.816  24.340
  768   HD11  ILE 104          3HD1      ILE 104  10.170   0.841  26.817
  769   HD12  ILE 104          1HD1      ILE 104  11.466   1.308  25.690
  770   HD13  ILE 104          2HD1      ILE 104  11.844   0.993  27.388
  771    H    SER 105           H        SER 105   7.021   4.574  27.300
  772    HA   SER 105           HA       SER 105   5.761   5.541  25.010
  773    HG   SER 105           HG       SER 105   5.018   3.396  26.014
  774    HB2  SER 105           2HB      SER 105   4.568   5.559  27.808
  775    HB3  SER 105           3HB      SER 105   3.721   5.347  26.266
  776    H    THR 106           H        THR 106   6.462   7.376  28.074
  777    HA   THR 106           HA       THR 106   4.973   9.639  27.152
  778    HB   THR 106           HB       THR 106   6.259  10.845  29.004
  779    HG1  THR 106           1HG      THR 106   6.964   8.185  29.710
  780   HG21  THR 106          3HG2      THR 106   4.874   9.916  30.683
  781   HG22  THR 106          1HG2      THR 106   3.968   9.815  29.178
  782   HG23  THR 106          2HG2      THR 106   4.714   8.355  29.844
  783    H    GLU 107           H        GLU 107   8.514   8.855  26.921
  784    HA   GLU 107           HA       GLU 107   9.185  11.371  25.749
  785    HB2  GLU 107           2HB      GLU 107  10.378   8.586  25.496
  786    HB3  GLU 107           3HB      GLU 107  11.082   9.992  24.699
  787    HG2  GLU 107           2HG      GLU 107  10.622   9.810  27.713
  788    HG3  GLU 107           3HG      GLU 107  12.135   9.413  26.904
  789    H    LYS 108           H        LYS 108   7.948   8.339  24.312
  790    HA   LYS 108           HA       LYS 108   8.096   9.215  21.566
  791    HB2  LYS 108           2HB      LYS 108   6.478   7.107  23.041
  792    HB3  LYS 108           3HB      LYS 108   6.265   7.403  21.310
  793    HG2  LYS 108           2HG      LYS 108   8.615   6.912  20.870
  794    HG3  LYS 108           3HG      LYS 108   8.933   6.699  22.597
  795    HD2  LYS 108           2HD      LYS 108   7.424   4.785  22.697
  796    HD3  LYS 108           3HD      LYS 108   6.972   4.986  20.994
  797    HE2  LYS 108           2HE      LYS 108   9.888   4.713  21.715
  798    HE3  LYS 108           3HE      LYS 108   8.882   3.259  21.758
  799    HZ1  LYS 108           3HZ      LYS 108   8.461   3.394  19.499
  800    HZ2  LYS 108           1HZ      LYS 108   8.784   4.962  19.359
  801    HZ3  LYS 108           2HZ      LYS 108  10.031   3.891  19.564
  802    H    ILE 109           H        ILE 109   5.348   9.329  23.935
  803    HA   ILE 109           HA       ILE 109   3.589  10.724  22.170
  804    HB   ILE 109           HB       ILE 109   3.710  10.724  25.202
  805   HG12  ILE 109          2HG1      ILE 109   1.729   9.130  23.520
  806   HG13  ILE 109          3HG1      ILE 109   3.287   8.452  23.919
  807   HG21  ILE 109          1HG2      ILE 109   1.348  11.432  23.389
  808   HG22  ILE 109          2HG2      ILE 109   1.353  11.458  25.167
  809   HG23  ILE 109          3HG2      ILE 109   2.306  12.622  24.272
  810   HD11  ILE 109          3HD1      ILE 109   1.638   7.713  25.555
  811   HD12  ILE 109          1HD1      ILE 109   2.822   8.761  26.354
  812   HD13  ILE 109          2HD1      ILE 109   1.205   9.378  25.949
  813    H    LYS 110           H        LYS 110   6.106  11.937  24.458
  814    HA   LYS 110           HA       LYS 110   5.511  14.698  24.138
  815    HB2  LYS 110           2HB      LYS 110   6.917  13.646  25.908
  816    HB3  LYS 110           3HB      LYS 110   8.182  13.345  24.712
  817    HG2  LYS 110           2HG      LYS 110   8.341  15.826  24.339
  818    HG3  LYS 110           3HG      LYS 110   7.154  16.065  25.632
  819    HD2  LYS 110           2HD      LYS 110   9.850  14.656  25.924
  820    HD3  LYS 110           3HD      LYS 110   9.537  16.340  26.370
  821    HE2  LYS 110           2HE      LYS 110   8.010  15.690  28.133
  822    HE3  LYS 110           3HE      LYS 110   8.005  14.002  27.587
  823    HZ1  LYS 110           3HZ      LYS 110   9.449  14.295  29.485
  824    HZ2  LYS 110           1HZ      LYS 110  10.286  13.783  28.175
  825    HZ3  LYS 110           2HZ      LYS 110  10.410  15.342  28.639
  826    H    ALA 111           H        ALA 111   7.700  12.520  22.220
  827    HA   ALA 111           HA       ALA 111   8.563  14.568  20.437
  828    HB1  ALA 111           3HB      ALA 111   9.670  12.361  20.667
  829    HB2  ALA 111           1HB      ALA 111   8.250  11.567  19.954
  830    HB3  ALA 111           2HB      ALA 111   9.214  12.695  18.983
  831    H    LYS 112           H        LYS 112   5.739  12.333  20.317
  832    HA   LYS 112           HA       LYS 112   4.754  13.229  17.799
  833    HB2  LYS 112           2HB      LYS 112   4.055  11.152  19.101
  834    HB3  LYS 112           3HB      LYS 112   3.159  12.190  20.197
  835    HG2  LYS 112           2HG      LYS 112   1.601  11.238  18.675
  836    HG3  LYS 112           3HG      LYS 112   1.724  12.947  18.270
  837    HD2  LYS 112           2HD      LYS 112   3.156  12.427  16.331
  838    HD3  LYS 112           3HD      LYS 112   3.280  10.742  16.843
  839    HE2  LYS 112           2HE      LYS 112   1.730  10.812  15.033
  840    HE3  LYS 112           3HE      LYS 112   0.834  10.435  16.500
  841    HZ1  LYS 112           3HZ      LYS 112   0.987  13.102  15.224
  842    HZ2  LYS 112           1HZ      LYS 112  -0.290  12.072  15.125
  843    HZ3  LYS 112           2HZ      LYS 112   0.116  12.764  16.564
  844    H    TYR 113           H        TYR 113   4.413  14.530  21.041
  845    HA   TYR 113           HA       TYR 113   3.326  16.205  21.982
  846    HD1  TYR 113           HD2      TYR 113   4.961  17.908  23.209
  847    HD2  TYR 113           HD1      TYR 113   2.759  19.821  20.041
  848    HE1  TYR 113           HE2      TYR 113   4.494  19.844  24.708
  849    HE2  TYR 113           HE1      TYR 113   2.279  21.747  21.516
  850    HH   TYR 113           HH       TYR 113   2.598  22.687  23.609
  851    HB2  TYR 113           2HB      TYR 113   5.248  17.294  20.759
  852    HB3  TYR 113           3HB      TYR 113   4.092  17.854  19.569
  853    HA   PRO 114           HA       PRO 114  -0.430  15.552  19.323
  854    HB2  PRO 114           2HB      PRO 114  -2.071  14.278  21.119
  855    HB3  PRO 114           3HB      PRO 114  -0.816  13.430  20.161
  856    HG2  PRO 114           2HG      PRO 114  -0.601  14.465  23.001
  857    HG3  PRO 114           3HG      PRO 114  -0.168  12.842  22.379
  858    HD2  PRO 114           2HD      PRO 114   1.709  14.789  22.711
  859    HD3  PRO 114           3HD      PRO 114   1.774  13.671  21.315
  860    H    ASP 115           H        ASP 115  -0.003  17.069  22.508
  861    HA   ASP 115           HA       ASP 115  -1.820  19.188  21.700
  862    HB2  ASP 115           2HB      ASP 115  -3.473  17.668  22.667
  863    HB3  ASP 115           3HB      ASP 115  -2.510  17.499  24.130
  864    H    TYR 116           H        TYR 116   0.029  17.798  24.529
  865    HA   TYR 116           HA       TYR 116   1.298  20.377  25.007
  866    HD1  TYR 116           HD1      TYR 116   0.673  22.566  25.805
  867    HD2  TYR 116           HD2      TYR 116  -0.024  20.015  29.193
  868    HE1  TYR 116           HE1      TYR 116   1.565  24.328  27.303
  869    HE2  TYR 116           HE2      TYR 116   0.857  21.772  30.715
  870    HH   TYR 116           HH       TYR 116   2.043  24.940  29.519
  871    HB2  TYR 116           2HB      TYR 116  -1.078  20.505  25.925
  872    HB3  TYR 116           3HB      TYR 116  -0.635  19.245  27.065
  873    H    GLU 117           H        GLU 117   2.138  20.054  27.552
  874    HA   GLU 117           HA       GLU 117   4.361  18.400  27.590
  875    HB2  GLU 117           2HB      GLU 117   3.873  20.371  29.035
  876    HB3  GLU 117           3HB      GLU 117   2.651  19.430  29.897
  877    HG2  GLU 117           2HG      GLU 117   4.432  17.860  30.674
  878    HG3  GLU 117           3HG      GLU 117   5.637  18.826  29.828
  879    H    VAL 118           H        VAL 118   4.859  16.426  28.662
  880    HA   VAL 118           HA       VAL 118   2.604  14.618  29.273
  881    HB   VAL 118           HB       VAL 118   5.053  13.787  27.675
  882   HG11  VAL 118          1HG1      VAL 118   3.706  11.838  27.113
  883   HG12  VAL 118          2HG1      VAL 118   3.746  12.027  28.865
  884   HG13  VAL 118          3HG1      VAL 118   2.297  12.509  27.963
  885   HG21  VAL 118          3HG2      VAL 118   3.922  15.397  26.220
  886   HG22  VAL 118          1HG2      VAL 118   3.682  13.763  25.630
  887   HG23  VAL 118          2HG2      VAL 118   2.365  14.595  26.498
  888    H    THR 119           H        THR 119   3.056  13.184  30.967
  889    HA   THR 119           HA       THR 119   5.744  12.919  32.114
  890    HB   THR 119           HB       THR 119   4.407  13.522  34.406
  891    HG1  THR 119           1HG      THR 119   2.669  14.350  32.753
  892   HG21  THR 119          3HG2      THR 119   6.586  14.490  33.615
  893   HG22  THR 119          1HG2      THR 119   5.669  15.699  32.693
  894   HG23  THR 119          2HG2      THR 119   5.549  15.637  34.466
  895    H    TRP 120           H        TRP 120   5.569  11.300  34.147
  896    HA   TRP 120           HA       TRP 120   3.143   9.727  34.108
  897    HD1  TRP 120           HD1      TRP 120   7.094   9.598  32.181
  898    HE1  TRP 120           HE1      TRP 120   9.309   8.601  32.943
  899    HE3  TRP 120           HE3      TRP 120   5.308   6.072  35.432
  900    HZ2  TRP 120           HZ2      TRP 120  10.214   6.479  34.719
  901    HZ3  TRP 120           HZ3      TRP 120   6.870   4.571  36.640
  902    HH2  TRP 120           HH2      TRP 120   9.326   4.769  36.296
  903    HB2  TRP 120           2HB      TRP 120   4.205   7.591  33.735
  904    HB3  TRP 120           3HB      TRP 120   4.509   8.596  32.354
  905    H    ALA 121           H        ALA 121   3.199   8.044  35.818
  906    HA   ALA 121           HA       ALA 121   5.271   8.077  37.816
  907    HB1  ALA 121           3HB      ALA 121   3.898   8.725  39.727
  908    HB2  ALA 121           1HB      ALA 121   3.855  10.051  38.555
  909    HB3  ALA 121           2HB      ALA 121   2.470   8.938  38.703
  910    H    ASN 122           H        ASN 122   4.438   6.458  39.647
  911    HA   ASN 122           HA       ASN 122   2.499   4.467  38.602
  912    HB2  ASN 122           2HB      ASN 122   4.780   3.749  37.870
  913    HB3  ASN 122           3HB      ASN 122   5.297   3.747  39.567
  914   HD21  ASN 122          2HD2      ASN 122   5.732   1.458  39.577
  915   HD22  ASN 122          1HD2      ASN 122   4.419   0.301  39.483
  916    H    ASP 123           H        ASP 123   2.134   6.475  40.547
  917    HA   ASP 123           HA       ASP 123   2.650   5.656  43.241
  918    HB2  ASP 123           2HB      ASP 123   2.186   7.974  42.601
  919    HB3  ASP 123           3HB      ASP 123   0.575   7.530  42.045
  920    H    GLY 124           H        GLY 124   0.138   4.765  40.926
  921    HA2  GLY 124           2HA      GLY 124  -0.870   2.620  42.473
  922    HA3  GLY 124           3HA      GLY 124  -1.973   4.006  42.570
  923    H    TYR 125           H        TYR 125  -3.310   2.218  41.370
  924    HA   TYR 125           HA       TYR 125  -2.776   1.732  38.601
  925    HD1  TYR 125           HD1      TYR 125  -3.580  -0.376  37.553
  926    HD2  TYR 125           HD2      TYR 125  -7.055   2.055  38.260
  927    HE1  TYR 125           HE1      TYR 125  -4.295  -0.764  35.223
  928    HE2  TYR 125           HE2      TYR 125  -7.806   1.678  35.923
  929    HH   TYR 125           HH       TYR 125  -5.790  -0.163  33.628
  930    HB2  TYR 125           2HB      TYR 125  -4.391   0.354  39.931
  931    HB3  TYR 125           3HB      TYR 125  -5.471   1.746  40.010
  Start of MODEL    6
    1    HA   MET   1           HA       MET   1  -0.315 -11.148   4.114
    2    H1   MET   1           H1       MET   1   1.480 -10.580   5.552
    3    H2   MET   1           H2       MET   1   0.114 -10.840   6.416
    4    H3   MET   1           H3       MET   1   0.627  -9.306   6.195
    5    HB2  MET   1           2HB      MET   1  -2.109 -10.289   5.603
    6    HB3  MET   1           3HB      MET   1  -1.674  -8.642   5.149
    7    HG2  MET   1           2HG      MET   1  -2.212  -9.183   2.770
    8    HG3  MET   1           3HG      MET   1  -2.675 -10.815   3.271
    9    HE1  MET   1           3HE      MET   1  -6.090  -9.125   2.314
   10    HE2  MET   1           1HE      MET   1  -4.511  -8.846   1.548
   11    HE3  MET   1           2HE      MET   1  -4.993 -10.492   2.023
   12    H    ALA   2           H        ALA   2  -0.366  -7.555   4.075
   13    HA   ALA   2           HA       ALA   2   0.786  -7.616   1.412
   14    HB1  ALA   2           3HB      ALA   2   0.267  -5.232   1.439
   15    HB2  ALA   2           1HB      ALA   2  -1.098  -6.120   2.127
   16    HB3  ALA   2           2HB      ALA   2   0.035  -5.260   3.197
   17    H    VAL   3           H        VAL   3   2.359  -5.504   1.103
   18    HA   VAL   3           HA       VAL   3   4.741  -5.941   2.763
   19    HB   VAL   3           HB       VAL   3   5.775  -4.447   1.012
   20   HG11  VAL   3          1HG1      VAL   3   4.644  -7.106   0.048
   21   HG12  VAL   3          2HG1      VAL   3   6.064  -6.269  -0.614
   22   HG13  VAL   3          3HG1      VAL   3   6.103  -6.880   1.043
   23   HG21  VAL   3          3HG2      VAL   3   4.757  -4.234  -1.186
   24   HG22  VAL   3          1HG2      VAL   3   3.290  -5.071  -0.658
   25   HG23  VAL   3          2HG2      VAL   3   3.703  -3.472   0.006
   26    H    ALA   4           H        ALA   4   5.679  -4.216   3.846
   27    HA   ALA   4           HA       ALA   4   4.746  -1.531   3.821
   28    HB1  ALA   4           3HB      ALA   4   4.188  -3.246   6.300
   29    HB2  ALA   4           1HB      ALA   4   4.074  -1.472   6.240
   30    HB3  ALA   4           2HB      ALA   4   2.961  -2.450   5.282
   31    H    ASP   5           H        ASP   5   5.983  -0.551   5.977
   32    HA   ASP   5           HA       ASP   5   8.367  -2.046   6.705
   33    HB2  ASP   5           2HB      ASP   5   9.162  -0.761   4.734
   34    HB3  ASP   5           3HB      ASP   5   8.547   0.732   5.447
   35    H    LEU   6           H        LEU   6   9.092  -1.243   8.797
   36    HA   LEU   6           HA       LEU   6   6.949  -0.387  10.436
   37    HG   LEU   6           HG       LEU   6   8.496  -2.754  10.671
   38    HB2  LEU   6           2HB      LEU   6   9.940  -0.647  10.870
   39    HB3  LEU   6           3HB      LEU   6   8.864  -0.128  12.158
   40   HD11  LEU   6          1HD1      LEU   6   9.470  -3.793  12.704
   41   HD12  LEU   6          2HD1      LEU   6  10.640  -2.784  11.840
   42   HD13  LEU   6          3HD1      LEU   6   9.876  -2.182  13.326
   43   HD21  LEU   6          3HD2      LEU   6   7.114  -3.371  12.613
   44   HD22  LEU   6          1HD2      LEU   6   7.313  -1.748  13.305
   45   HD23  LEU   6          2HD2      LEU   6   6.430  -1.979  11.782
   46    H    ALA   7           H        ALA   7   9.338   1.555   8.706
   47    HA   ALA   7           HA       ALA   7   9.068   3.920  10.292
   48    HB1  ALA   7           3HB      ALA   7   9.992   5.051   8.315
   49    HB2  ALA   7           1HB      ALA   7  10.877   3.542   8.631
   50    HB3  ALA   7           2HB      ALA   7   9.671   3.616   7.321
   51    H    LEU   8           H        LEU   8   6.883   2.410   7.971
   52    HA   LEU   8           HA       LEU   8   5.524   4.884   7.206
   53    HG   LEU   8           HG       LEU   8   6.719   2.298   5.644
   54    HB2  LEU   8           2HB      LEU   8   4.624   1.983   6.930
   55    HB3  LEU   8           3HB      LEU   8   3.907   3.375   6.129
   56   HD11  LEU   8          1HD1      LEU   8   4.249   2.271   3.858
   57   HD12  LEU   8          2HD1      LEU   8   5.850   1.597   3.475
   58   HD13  LEU   8          3HD1      LEU   8   4.872   0.881   4.765
   59   HD21  LEU   8          3HD2      LEU   8   6.728   4.716   5.278
   60   HD22  LEU   8          1HD2      LEU   8   6.772   3.882   3.725
   61   HD23  LEU   8          2HD2      LEU   8   5.249   4.606   4.293
   62    H    ILE   9           H        ILE   9   5.299   2.562   9.808
   63    HA   ILE   9           HA       ILE   9   2.507   3.106  10.438
   64    HB   ILE   9           HB       ILE   9   4.736   1.420  11.620
   65   HG12  ILE   9          2HG1      ILE   9   2.059   0.421  10.600
   66   HG13  ILE   9          3HG1      ILE   9   3.269   0.886   9.425
   67   HG21  ILE   9          1HG2      ILE   9   3.093   0.423  13.184
   68   HG22  ILE   9          2HG2      ILE   9   3.399   2.119  13.550
   69   HG23  ILE   9          3HG2      ILE   9   1.899   1.651  12.714
   70   HD11  ILE   9          3HD1      ILE   9   3.276  -1.547   9.987
   71   HD12  ILE   9          1HD1      ILE   9   4.834  -0.727  10.158
   72   HD13  ILE   9          2HD1      ILE   9   3.886  -1.127  11.605
   73    HA   PRO  10           HA       PRO  10   3.713   6.725  12.797
   74    HB2  PRO  10           2HB      PRO  10   1.429   7.174  14.277
   75    HB3  PRO  10           3HB      PRO  10   1.565   7.535  12.529
   76    HG2  PRO  10           2HG      PRO  10   0.372   5.080  13.840
   77    HG3  PRO  10           3HG      PRO  10  -0.311   6.070  12.512
   78    HD2  PRO  10           2HD      PRO  10   1.030   3.748  12.032
   79    HD3  PRO  10           3HD      PRO  10   1.187   5.149  10.932
   80    H    ASP  11           H        ASP  11   4.560   7.157  14.865
   81    HA   ASP  11           HA       ASP  11   5.230   4.793  16.353
   82    HB2  ASP  11           2HB      ASP  11   6.652   6.882  15.828
   83    HB3  ASP  11           3HB      ASP  11   5.828   7.650  17.189
   84    H    VAL  12           H        VAL  12   2.911   7.392  16.868
   85    HA   VAL  12           HA       VAL  12   1.950   6.135  19.381
   86    HB   VAL  12           HB       VAL  12   2.420   9.097  18.879
   87   HG11  VAL  12          1HG1      VAL  12   1.751   9.455  21.204
   88   HG12  VAL  12          2HG1      VAL  12   0.438   8.719  20.293
   89   HG13  VAL  12          3HG1      VAL  12   1.404   7.723  21.402
   90   HG21  VAL  12          3HG2      VAL  12   4.562   8.073  19.324
   91   HG22  VAL  12          1HG2      VAL  12   4.041   8.926  20.767
   92   HG23  VAL  12          2HG2      VAL  12   3.901   7.158  20.695
   93    H    ASP  13           H        ASP  13  -0.288   5.959  19.370
   94    HA   ASP  13           HA       ASP  13  -1.910   7.796  17.765
   95    HB2  ASP  13           2HB      ASP  13  -1.408   5.875  16.223
   96    HB3  ASP  13           3HB      ASP  13  -2.230   4.802  17.355
   97    H    ILE  14           H        ILE  14  -3.003   8.584  19.476
   98    HA   ILE  14           HA       ILE  14  -4.314   6.834  21.427
   99    HB   ILE  14           HB       ILE  14  -3.300   7.980  23.325
  100   HG12  ILE  14          2HG1      ILE  14  -1.469   9.445  21.368
  101   HG13  ILE  14          3HG1      ILE  14  -2.834  10.180  22.200
  102   HG21  ILE  14          1HG2      ILE  14  -1.020   6.960  21.594
  103   HG22  ILE  14          2HG2      ILE  14  -1.145   6.947  23.364
  104   HG23  ILE  14          3HG2      ILE  14  -2.203   5.923  22.402
  105   HD11  ILE  14          3HD1      ILE  14  -0.370   9.056  23.564
  106   HD12  ILE  14          1HD1      ILE  14  -0.799  10.760  23.345
  107   HD13  ILE  14          2HD1      ILE  14  -1.800   9.729  24.382
  108    H    ASP  15           H        ASP  15  -5.334   8.494  23.142
  109    HA   ASP  15           HA       ASP  15  -6.095  11.071  21.997
  110    HB2  ASP  15           2HB      ASP  15  -7.935   9.322  21.455
  111    HB3  ASP  15           3HB      ASP  15  -8.247   9.297  23.190
  112    H    SER  16           H        SER  16  -7.074  12.364  23.932
  113    HA   SER  16           HA       SER  16  -6.268  11.507  26.589
  114    HG   SER  16           HG       SER  16  -4.304  11.144  25.347
  115    HB2  SER  16           2HB      SER  16  -4.730  13.786  25.263
  116    HB3  SER  16           3HB      SER  16  -4.570  13.246  26.945
  117    H    ASP  17           H        ASP  17  -8.632  12.685  24.915
  118    HA   ASP  17           HA       ASP  17  -9.350  15.159  26.184
  119    HB2  ASP  17           2HB      ASP  17 -10.445  14.270  24.172
  120    HB3  ASP  17           3HB      ASP  17 -11.037  12.881  25.086
  121    H    GLY  18           H        GLY  18  -9.104  11.928  27.441
  122    HA2  GLY  18           2HA      GLY  18  -9.894  12.694  30.101
  123    HA3  GLY  18           3HA      GLY  18 -11.041  11.577  29.333
  124    H    VAL  19           H        VAL  19 -10.026  10.308  31.332
  125    HA   VAL  19           HA       VAL  19  -7.506   8.975  30.893
  126    HB   VAL  19           HB       VAL  19  -9.922   8.106  32.529
  127   HG11  VAL  19          1HG1      VAL  19  -7.010   7.200  32.560
  128   HG12  VAL  19          2HG1      VAL  19  -8.240   6.721  33.757
  129   HG13  VAL  19          3HG1      VAL  19  -8.408   6.220  32.068
  130   HG21  VAL  19          3HG2      VAL  19  -8.674   8.978  34.477
  131   HG22  VAL  19          1HG2      VAL  19  -7.408   9.596  33.401
  132   HG23  VAL  19          2HG2      VAL  19  -9.050  10.281  33.345
  133    H    PHE  20           H        PHE  20  -7.088   7.340  29.464
  134    HA   PHE  20           HA       PHE  20  -9.273   5.553  28.581
  135    HD1  PHE  20           HD2      PHE  20 -11.011   6.329  27.027
  136    HD2  PHE  20           HD1      PHE  20  -7.799   9.033  26.028
  137    HE1  PHE  20           HE2      PHE  20 -12.660   8.106  26.519
  138    HE2  PHE  20           HE1      PHE  20  -9.464  10.784  25.463
  139    HZ   PHE  20           HZ       PHE  20 -11.892  10.342  25.733
  140    HB2  PHE  20           2HB      PHE  20  -7.266   6.853  26.693
  141    HB3  PHE  20           3HB      PHE  20  -8.445   5.628  26.257
  142    H    LYS  21           H        LYS  21  -8.506   3.473  28.019
  143    HA   LYS  21           HA       LYS  21  -6.150   2.496  29.360
  144    HB2  LYS  21           2HB      LYS  21  -7.590   1.137  27.043
  145    HB3  LYS  21           3HB      LYS  21  -6.685   0.373  28.337
  146    HG2  LYS  21           2HG      LYS  21  -9.417   1.708  28.538
  147    HG3  LYS  21           3HG      LYS  21  -9.074  -0.016  28.582
  148    HD2  LYS  21           2HD      LYS  21  -7.937   0.207  30.748
  149    HD3  LYS  21           3HD      LYS  21  -8.083   1.964  30.674
  150    HE2  LYS  21           2HE      LYS  21  -9.773   1.225  32.158
  151    HE3  LYS  21           3HE      LYS  21 -10.571   1.766  30.680
  152    HZ1  LYS  21           3HZ      LYS  21 -11.489  -0.306  31.542
  153    HZ2  LYS  21           1HZ      LYS  21 -10.901  -0.555  30.049
  154    HZ3  LYS  21           2HZ      LYS  21 -10.059  -1.072  31.378
  155    H    TYR  22           H        TYR  22  -4.121   1.750  28.386
  156    HA   TYR  22           HA       TYR  22  -3.785   2.060  25.522
  157    HD1  TYR  22           HD2      TYR  22  -1.804   3.622  29.054
  158    HD2  TYR  22           HD1      TYR  22  -0.173   3.328  25.087
  159    HE1  TYR  22           HE2      TYR  22   0.465   3.482  30.015
  160    HE2  TYR  22           HE1      TYR  22   2.122   3.194  26.032
  161    HH   TYR  22           HH       TYR  22   3.396   3.375  27.907
  162    HB2  TYR  22           2HB      TYR  22  -2.468   3.862  25.409
  163    HB3  TYR  22           3HB      TYR  22  -3.114   4.310  26.963
  164    H    VAL  23           H        VAL  23  -1.687   1.152  24.794
  165    HA   VAL  23           HA       VAL  23  -0.234  -0.475  26.758
  166    HB   VAL  23           HB       VAL  23  -0.110  -2.265  24.818
  167   HG11  VAL  23          1HG1      VAL  23  -2.014  -3.504  25.869
  168   HG12  VAL  23          2HG1      VAL  23  -0.773  -2.929  26.975
  169   HG13  VAL  23          3HG1      VAL  23  -2.333  -2.062  26.863
  170   HG21  VAL  23          3HG2      VAL  23  -2.934  -1.225  24.401
  171   HG22  VAL  23          1HG2      VAL  23  -1.588  -1.052  23.246
  172   HG23  VAL  23          2HG2      VAL  23  -2.204  -2.663  23.676
  173    H    LEU  24           H        LEU  24   1.806  -1.050  26.116
  174    HA   LEU  24           HA       LEU  24   3.051   0.615  23.972
  175    HG   LEU  24           HG       LEU  24   5.872  -0.628  24.601
  176    HB2  LEU  24           2HB      LEU  24   3.946   1.090  26.237
  177    HB3  LEU  24           3HB      LEU  24   4.219  -0.636  26.499
  178   HD11  LEU  24          1HD1      LEU  24   5.443   2.393  24.695
  179   HD12  LEU  24          2HD1      LEU  24   6.785   1.580  23.864
  180   HD13  LEU  24          3HD1      LEU  24   5.131   1.315  23.319
  181   HD21  LEU  24          3HD2      LEU  24   7.651   0.515  25.862
  182   HD22  LEU  24          1HD2      LEU  24   6.439   1.369  26.838
  183   HD23  LEU  24          2HD2      LEU  24   6.601  -0.406  26.948
  184    H    ILE  25           H        ILE  25   3.343  -0.674  22.180
  185    HA   ILE  25           HA       ILE  25   3.371  -3.639  22.600
  186    HB   ILE  25           HB       ILE  25   2.133  -2.028  20.339
  187   HG12  ILE  25          2HG1      ILE  25   0.814  -3.732  22.513
  188   HG13  ILE  25          3HG1      ILE  25   0.808  -1.969  22.461
  189   HG21  ILE  25          1HG2      ILE  25   1.369  -4.213  19.454
  190   HG22  ILE  25          2HG2      ILE  25   3.104  -4.186  19.563
  191   HG23  ILE  25          3HG2      ILE  25   2.172  -5.049  20.805
  192   HD11  ILE  25          3HD1      ILE  25  -0.424  -2.001  20.334
  193   HD12  ILE  25          1HD1      ILE  25  -0.529  -3.776  20.405
  194   HD13  ILE  25          2HD1      ILE  25  -1.318  -2.801  21.629
  195    H    ARG  26           H        ARG  26   5.036  -4.718  21.619
  196    HA   ARG  26           HA       ARG  26   7.042  -3.145  20.078
  197    HE   ARG  26           HE       ARG  26  10.428  -4.052  21.287
  198    HB2  ARG  26           2HB      ARG  26   8.023  -4.425  21.854
  199    HB3  ARG  26           3HB      ARG  26   7.095  -5.875  21.448
  200    HG2  ARG  26           2HG      ARG  26   8.340  -6.263  19.449
  201    HG3  ARG  26           3HG      ARG  26   9.092  -4.663  19.490
  202    HD2  ARG  26           2HD      ARG  26   9.530  -6.817  21.604
  203    HD3  ARG  26           3HD      ARG  26  10.605  -6.538  20.214
  204   HH11  ARG  26          1HH2      ARG  26  11.392  -7.181  22.680
  205   HH12  ARG  26          2HH2      ARG  26  12.429  -6.487  23.875
  206   HH21  ARG  26          1HH1      ARG  26  11.743  -3.121  22.859
  207   HH22  ARG  26          2HH1      ARG  26  12.651  -4.105  23.973
  208    H    VAL  27           H        VAL  27   7.266  -3.612  17.915
  209    HA   VAL  27           HA       VAL  27   5.443  -5.626  16.718
  210    HB   VAL  27           HB       VAL  27   6.012  -2.788  15.749
  211   HG11  VAL  27          1HG1      VAL  27   4.030  -4.847  14.678
  212   HG12  VAL  27          2HG1      VAL  27   4.310  -3.203  14.055
  213   HG13  VAL  27          3HG1      VAL  27   5.573  -4.427  13.909
  214   HG21  VAL  27          3HG2      VAL  27   3.575  -2.414  16.201
  215   HG22  VAL  27          1HG2      VAL  27   3.507  -3.988  17.016
  216   HG23  VAL  27          2HG2      VAL  27   4.510  -2.682  17.676
  217    H    HIS  28           H        HIS  28   6.328  -6.703  14.988
  218    HA   HIS  28           HA       HIS  28   9.252  -6.363  14.468
  219    HD1  HIS  28           HD1      HIS  28  10.580  -7.760  16.622
  220    HD2  HIS  28           HD2      HIS  28   6.750  -9.491  16.822
  221    HE1  HIS  28           HE1      HIS  28  10.246  -8.512  19.042
  222    HB2  HIS  28           2HB      HIS  28   7.586  -8.917  14.428
  223    HB3  HIS  28           3HB      HIS  28   9.329  -8.779  14.230
  224    H    SER  29           H        SER  29   9.729  -6.211  12.293
  225    HA   SER  29           HA       SER  29   7.583  -5.938  10.360
  226    HG   SER  29           HG       SER  29  11.082  -5.815  11.069
  227    HB2  SER  29           2HB      SER  29   9.483  -5.833   8.704
  228    HB3  SER  29           3HB      SER  29   9.505  -4.614   9.976
  229    H    ALA  30           H        ALA  30   6.842  -7.387   8.851
  230    HA   ALA  30           HA       ALA  30   8.286  -9.804   8.196
  231    HB1  ALA  30           3HB      ALA  30   5.540 -10.023   9.492
  232    HB2  ALA  30           1HB      ALA  30   6.433 -11.334   8.671
  233    HB3  ALA  30           2HB      ALA  30   7.085 -10.620  10.163
  234    HA   PRO  31           HA       PRO  31   5.638  -7.266   5.233
  235    HB2  PRO  31           2HB      PRO  31   7.951  -7.184   3.416
  236    HB3  PRO  31           3HB      PRO  31   7.073  -5.826   4.169
  237    HG2  PRO  31           2HG      PRO  31   9.658  -6.553   4.882
  238    HG3  PRO  31           3HG      PRO  31   8.501  -5.717   5.962
  239    HD2  PRO  31           2HD      PRO  31   9.191  -8.660   5.892
  240    HD3  PRO  31           3HD      PRO  31   8.911  -7.593   7.278
  241    H    ARG  32           H        ARG  32   4.521  -8.199   3.469
  242    HA   ARG  32           HA       ARG  32   3.678  -9.850   2.250
  243    HE   ARG  32           HE       ARG  32   3.134 -12.114  -1.989
  244    HB2  ARG  32           2HB      ARG  32   5.511  -9.200   0.776
  245    HB3  ARG  32           3HB      ARG  32   6.588 -10.368   1.517
  246    HG2  ARG  32           2HG      ARG  32   5.683 -10.962  -0.749
  247    HG3  ARG  32           3HG      ARG  32   5.504 -12.193   0.482
  248    HD2  ARG  32           2HD      ARG  32   3.080 -11.380   0.798
  249    HD3  ARG  32           3HD      ARG  32   3.344 -10.321  -0.587
  250   HH11  ARG  32          1HH2      ARG  32   3.747 -13.403   1.287
  251   HH12  ARG  32          2HH2      ARG  32   3.296 -15.020   0.871
  252   HH21  ARG  32          1HH1      ARG  32   2.590 -14.280  -2.532
  253   HH22  ARG  32          2HH1      ARG  32   2.659 -15.528  -1.345
  254    H    SER  33           H        SER  33   4.697 -10.492   5.129
  255    HA   SER  33           HA       SER  33   4.839 -12.184   6.548
  256    HG   SER  33           HG       SER  33   1.495 -13.107   5.680
  257    HB2  SER  33           2HB      SER  33   3.324 -13.903   4.563
  258    HB3  SER  33           3HB      SER  33   3.402 -14.078   6.320
  259    H    GLY  34           H        GLY  34   7.009 -11.877   4.418
  260    HA2  GLY  34           2HA      GLY  34   8.577 -14.125   5.191
  261    HA3  GLY  34           3HA      GLY  34   7.885 -14.451   3.601
  262    H    ALA  35           H        ALA  35   8.457 -11.081   3.754
  263    HA   ALA  35           HA       ALA  35  10.702 -11.198   1.983
  264    HB1  ALA  35           3HB      ALA  35   9.072  -9.321   2.032
  265    HB2  ALA  35           1HB      ALA  35   9.629  -8.899   3.669
  266    HB3  ALA  35           2HB      ALA  35  10.727  -8.740   2.293
  267    HA   PRO  36           HA       PRO  36  13.938 -11.565   4.994
  268    HB2  PRO  36           2HB      PRO  36  16.135 -10.638   3.687
  269    HB3  PRO  36           3HB      PRO  36  15.214 -12.056   3.119
  270    HG2  PRO  36           2HG      PRO  36  14.918  -9.181   2.176
  271    HG3  PRO  36           3HG      PRO  36  15.178 -10.649   1.174
  272    HD2  PRO  36           2HD      PRO  36  12.692  -9.637   1.621
  273    HD3  PRO  36           3HD      PRO  36  12.975 -11.401   1.539
  274    H    ALA  37           H        ALA  37  12.503  -9.835   6.186
  275    HA   ALA  37           HA       ALA  37  14.388  -7.814   7.218
  276    HB1  ALA  37           3HB      ALA  37  11.488  -7.203   6.481
  277    HB2  ALA  37           1HB      ALA  37  12.579  -6.125   7.372
  278    HB3  ALA  37           2HB      ALA  37  12.930  -6.531   5.679
  279    H    ALA  38           H        ALA  38  14.263  -7.693   9.423
  280    HA   ALA  38           HA       ALA  38  12.013  -8.816  10.919
  281    HB1  ALA  38           3HB      ALA  38  13.460 -10.796  10.442
  282    HB2  ALA  38           1HB      ALA  38  14.846  -9.951  11.175
  283    HB3  ALA  38           2HB      ALA  38  13.441 -10.401  12.167
  284    H    GLU  39           H        GLU  39  13.219  -6.184  10.509
  285    HA   GLU  39           HA       GLU  39  14.568  -5.374  12.989
  286    HB2  GLU  39           2HB      GLU  39  13.189  -3.808  10.757
  287    HB3  GLU  39           3HB      GLU  39  13.986  -3.076  12.159
  288    HG2  GLU  39           2HG      GLU  39  16.128  -4.181  11.502
  289    HG3  GLU  39           3HG      GLU  39  15.342  -4.825  10.060
  290    H    SER  40           H        SER  40  13.390  -3.855  14.518
  291    HA   SER  40           HA       SER  40  10.491  -4.384  14.731
  292    HG   SER  40           HG       SER  40  12.583  -6.539  15.415
  293    HB2  SER  40           2HB      SER  40  12.466  -4.881  16.977
  294    HB3  SER  40           3HB      SER  40  10.715  -5.121  17.039
  295    H    LYS  41           H        LYS  41   9.498  -3.048  16.465
  296    HA   LYS  41           HA       LYS  41  10.763  -0.431  17.036
  297    HB2  LYS  41           2HB      LYS  41   9.969  -0.245  14.726
  298    HB3  LYS  41           3HB      LYS  41   8.422  -0.978  15.157
  299    HG2  LYS  41           2HG      LYS  41   7.776   1.026  16.415
  300    HG3  LYS  41           3HG      LYS  41   9.354   1.774  16.069
  301    HD2  LYS  41           2HD      LYS  41   8.880   1.661  13.640
  302    HD3  LYS  41           3HD      LYS  41   7.370   0.809  13.953
  303    HE2  LYS  41           2HE      LYS  41   6.879   3.052  13.349
  304    HE3  LYS  41           3HE      LYS  41   6.426   2.812  15.041
  305    HZ1  LYS  41           3HZ      LYS  41   8.165   4.162  15.746
  306    HZ2  LYS  41           1HZ      LYS  41   9.038   3.996  14.339
  307    HZ3  LYS  41           2HZ      LYS  41   7.682   4.908  14.386
  308    H    GLU  42           H        GLU  42   9.623   0.596  18.795
  309    HA   GLU  42           HA       GLU  42   7.373  -0.959  19.998
  310    HB2  GLU  42           2HB      GLU  42   9.449   0.945  21.113
  311    HB3  GLU  42           3HB      GLU  42   7.829   0.963  21.799
  312    HG2  GLU  42           2HG      GLU  42   9.008  -0.493  23.163
  313    HG3  GLU  42           3HG      GLU  42   7.974  -1.512  22.170
  314    H    ILE  43           H        ILE  43   5.375   0.039  20.189
  315    HA   ILE  43           HA       ILE  43   5.118   2.862  19.296
  316    HB   ILE  43           HB       ILE  43   3.073   2.281  18.075
  317   HG12  ILE  43          2HG1      ILE  43   3.869  -0.637  18.395
  318   HG13  ILE  43          3HG1      ILE  43   2.544   0.134  19.256
  319   HG21  ILE  43          1HG2      ILE  43   5.411   0.701  16.947
  320   HG22  ILE  43          2HG2      ILE  43   4.134   1.555  16.052
  321   HG23  ILE  43          3HG2      ILE  43   5.334   2.476  16.967
  322   HD11  ILE  43          3HD1      ILE  43   1.379   0.586  17.145
  323   HD12  ILE  43          1HD1      ILE  43   2.675  -0.227  16.241
  324   HD13  ILE  43          2HD1      ILE  43   1.688  -1.138  17.398
  325    H    VAL  44           H        VAL  44   3.367   3.976  20.171
  326    HA   VAL  44           HA       VAL  44   2.213   2.802  22.675
  327    HB   VAL  44           HB       VAL  44   2.448   5.675  21.686
  328   HG11  VAL  44          1HG1      VAL  44   0.510   5.252  23.275
  329   HG12  VAL  44          2HG1      VAL  44   1.711   4.775  24.488
  330   HG13  VAL  44          3HG1      VAL  44   1.712   6.417  23.842
  331   HG21  VAL  44          3HG2      VAL  44   4.119   5.988  23.491
  332   HG22  VAL  44          1HG2      VAL  44   4.037   4.253  23.870
  333   HG23  VAL  44          2HG2      VAL  44   4.674   4.803  22.305
  334    H    ARG  45           H        ARG  45   0.055   2.243  22.583
  335    HA   ARG  45           HA       ARG  45  -1.684   3.407  20.435
  336    HE   ARG  45           HE       ARG  45  -0.289   3.411  18.822
  337    HB2  ARG  45           2HB      ARG  45  -1.477   0.501  21.358
  338    HB3  ARG  45           3HB      ARG  45  -2.750   1.130  20.316
  339    HG2  ARG  45           2HG      ARG  45   0.211   1.069  19.576
  340    HG3  ARG  45           3HG      ARG  45  -0.957  -0.143  19.136
  341    HD2  ARG  45           2HD      ARG  45  -1.109   1.040  17.232
  342    HD3  ARG  45           3HD      ARG  45  -2.304   1.975  18.146
  343   HH11  ARG  45          1HH2      ARG  45  -0.618   2.086  15.531
  344   HH12  ARG  45          2HH2      ARG  45   0.791   2.909  14.948
  345   HH21  ARG  45          1HH1      ARG  45   1.545   4.392  18.063
  346   HH22  ARG  45          2HH1      ARG  45   2.005   4.273  16.379
  347    H    GLY  46           H        GLY  46  -3.594   4.159  21.275
  348    HA2  GLY  46           2HA      GLY  46  -4.568   3.292  23.928
  349    HA3  GLY  46           3HA      GLY  46  -3.844   4.903  23.828
  350    H    TYR  47           H        TYR  47  -5.994   2.984  21.656
  351    HA   TYR  47           HA       TYR  47  -7.406   5.302  20.775
  352    HD1  TYR  47           HD2      TYR  47  -7.025   4.666  17.965
  353    HD2  TYR  47           HD1      TYR  47  -6.617   1.000  20.201
  354    HE1  TYR  47           HE2      TYR  47  -5.454   3.807  16.258
  355    HE2  TYR  47           HE1      TYR  47  -5.003   0.152  18.533
  356    HH   TYR  47           HH       TYR  47  -3.910   0.569  16.510
  357    HB2  TYR  47           2HB      TYR  47  -8.423   2.448  20.658
  358    HB3  TYR  47           3HB      TYR  47  -8.815   3.798  19.608
  359    H    LYS  48           H        LYS  48  -9.187   6.296  21.634
  360    HA   LYS  48           HA       LYS  48 -10.051   5.715  24.252
  361    HB2  LYS  48           2HB      LYS  48 -11.823   7.403  23.834
  362    HB3  LYS  48           3HB      LYS  48 -10.188   7.929  23.446
  363    HG2  LYS  48           2HG      LYS  48 -10.663   7.526  21.018
  364    HG3  LYS  48           3HG      LYS  48 -12.333   7.083  21.435
  365    HD2  LYS  48           2HD      LYS  48 -12.770   9.318  22.297
  366    HD3  LYS  48           3HD      LYS  48 -11.051   9.730  22.220
  367    HE2  LYS  48           2HE      LYS  48 -11.270   9.212  19.661
  368    HE3  LYS  48           3HE      LYS  48 -13.013   9.390  19.929
  369    HZ1  LYS  48           3HZ      LYS  48 -10.907  11.406  20.516
  370    HZ2  LYS  48           1HZ      LYS  48 -11.968  11.475  19.263
  371    HZ3  LYS  48           2HZ      LYS  48 -12.519  11.635  20.798
  372    H    TRP  49           H        TRP  49 -11.325   4.365  21.228
  373    HA   TRP  49           HA       TRP  49 -13.869   3.651  22.366
  374    HD1  TRP  49           HD1      TRP  49 -11.997   4.340  18.313
  375    HE1  TRP  49           HE1      TRP  49 -10.027   3.130  17.228
  376    HE3  TRP  49           HE3      TRP  49 -12.229  -0.111  20.868
  377    HZ2  TRP  49           HZ2      TRP  49  -8.497   0.748  17.696
  378    HZ3  TRP  49           HZ3      TRP  49 -10.392  -1.750  20.656
  379    HH2  TRP  49           HH2      TRP  49  -8.482  -1.302  19.143
  380    HB2  TRP  49           2HB      TRP  49 -14.058   2.150  20.385
  381    HB3  TRP  49           3HB      TRP  49 -13.772   3.840  20.028
  382    H    ALA  50           H        ALA  50 -10.674   2.248  22.798
  383    HA   ALA  50           HA       ALA  50 -11.454  -0.464  22.954
  384    HB1  ALA  50           3HB      ALA  50  -9.111   0.976  24.254
  385    HB2  ALA  50           1HB      ALA  50  -9.315  -0.782  24.134
  386    HB3  ALA  50           2HB      ALA  50  -9.142   0.183  22.652
  387    H    GLU  51           H        GLU  51 -12.368  -1.659  24.459
  388    HA   GLU  51           HA       GLU  51 -13.292  -0.452  26.959
  389    HB2  GLU  51           2HB      GLU  51 -14.534  -2.176  25.536
  390    HB3  GLU  51           3HB      GLU  51 -13.368  -3.374  26.093
  391    HG2  GLU  51           2HG      GLU  51 -15.327  -3.575  27.455
  392    HG3  GLU  51           3HG      GLU  51 -14.081  -2.867  28.471
  393    H    TYR  52           H        TYR  52 -10.655  -2.590  25.936
  394    HA   TYR  52           HA       TYR  52  -9.518  -2.654  28.680
  395    HD1  TYR  52           HD1      TYR  52 -10.612  -4.184  30.524
  396    HD2  TYR  52           HD2      TYR  52 -12.235  -5.732  26.839
  397    HE1  TYR  52           HE1      TYR  52 -12.740  -4.679  31.679
  398    HE2  TYR  52           HE2      TYR  52 -14.365  -6.246  27.991
  399    HH   TYR  52           HH       TYR  52 -14.897  -5.538  31.467
  400    HB2  TYR  52           2HB      TYR  52  -9.966  -5.104  26.921
  401    HB3  TYR  52           3HB      TYR  52  -9.167  -5.087  28.481
  402    H    HIS  53           H        HIS  53  -7.272  -3.408  28.679
  403    HA   HIS  53           HA       HIS  53  -5.600  -2.333  26.698
  404    HD2  HIS  53           HD2      HIS  53  -4.004  -0.895  28.624
  405    HE1  HIS  53           HE1      HIS  53  -6.278  -1.509  32.162
  406    HE2  HIS  53           HE2      HIS  53  -4.852   0.174  30.834
  407    HB2  HIS  53           2HB      HIS  53  -5.046  -4.631  28.634
  408    HB3  HIS  53           3HB      HIS  53  -3.841  -3.578  27.894
  409    H    ALA  54           H        ALA  54  -6.831  -5.677  27.075
  410    HA   ALA  54           HA       ALA  54  -5.379  -6.788  24.888
  411    HB1  ALA  54           3HB      ALA  54  -6.978  -8.650  25.090
  412    HB2  ALA  54           1HB      ALA  54  -6.383  -8.152  26.685
  413    HB3  ALA  54           2HB      ALA  54  -8.015  -7.672  26.146
  414    H    ASP  55           H        ASP  55  -8.267  -4.750  24.957
  415    HA   ASP  55           HA       ASP  55  -9.432  -5.655  22.471
  416    HB2  ASP  55           2HB      ASP  55 -10.476  -4.256  24.434
  417    HB3  ASP  55           3HB      ASP  55  -9.675  -2.890  23.691
  418    H    ILE  56           H        ILE  56  -7.178  -3.091  23.499
  419    HA   ILE  56           HA       ILE  56  -6.684  -1.957  20.910
  420    HB   ILE  56           HB       ILE  56  -4.874  -2.064  23.372
  421   HG12  ILE  56          2HG1      ILE  56  -6.855   0.082  22.531
  422   HG13  ILE  56          3HG1      ILE  56  -7.065  -1.057  23.872
  423   HG21  ILE  56          1HG2      ILE  56  -3.621  -1.474  21.333
  424   HG22  ILE  56          2HG2      ILE  56  -4.807  -0.214  20.951
  425   HG23  ILE  56          3HG2      ILE  56  -3.762  -0.073  22.377
  426   HD11  ILE  56          3HD1      ILE  56  -6.419   1.049  24.773
  427   HD12  ILE  56          1HD1      ILE  56  -5.086  -0.100  25.008
  428   HD13  ILE  56          2HD1      ILE  56  -5.000   1.141  23.728
  429    H    TYR  57           H        TYR  57  -4.872  -4.400  22.890
  430    HA   TYR  57           HA       TYR  57  -2.837  -4.793  21.010
  431    HD1  TYR  57           HD2      TYR  57  -0.579  -5.707  21.789
  432    HD2  TYR  57           HD1      TYR  57  -3.370  -8.940  22.403
  433    HE1  TYR  57           HE2      TYR  57   1.121  -7.326  20.995
  434    HE2  TYR  57           HE1      TYR  57  -1.660 -10.565  21.655
  435    HH   TYR  57           HH       TYR  57   0.521 -10.852  20.862
  436    HB2  TYR  57           2HB      TYR  57  -2.722  -5.551  23.337
  437    HB3  TYR  57           3HB      TYR  57  -3.986  -6.743  23.026
  438    H    ASP  58           H        ASP  58  -5.997  -6.523  21.256
  439    HA   ASP  58           HA       ASP  58  -5.476  -8.405  19.196
  440    HB2  ASP  58           2HB      ASP  58  -7.327  -8.666  20.754
  441    HB3  ASP  58           3HB      ASP  58  -8.091  -7.190  20.153
  442    H    LYS  59           H        LYS  59  -6.980  -5.118  19.055
  443    HA   LYS  59           HA       LYS  59  -7.542  -5.189  16.251
  444    HB2  LYS  59           2HB      LYS  59  -8.487  -3.551  17.839
  445    HB3  LYS  59           3HB      LYS  59  -6.916  -2.793  18.052
  446    HG2  LYS  59           2HG      LYS  59  -8.266  -2.977  15.323
  447    HG3  LYS  59           3HG      LYS  59  -8.670  -1.719  16.482
  448    HD2  LYS  59           2HD      LYS  59  -6.247  -1.008  16.507
  449    HD3  LYS  59           3HD      LYS  59  -5.960  -2.127  15.157
  450    HE2  LYS  59           2HE      LYS  59  -7.751  -0.966  13.854
  451    HE3  LYS  59           3HE      LYS  59  -7.937   0.188  15.179
  452    HZ1  LYS  59           3HZ      LYS  59  -5.534  -0.169  13.456
  453    HZ2  LYS  59           1HZ      LYS  59  -6.528   1.115  13.509
  454    HZ3  LYS  59           2HZ      LYS  59  -5.566   0.813  14.793
  455    H    VAL  60           H        VAL  60  -4.693  -3.977  18.079
  456    HA   VAL  60           HA       VAL  60  -3.295  -3.056  15.784
  457    HB   VAL  60           HB       VAL  60  -2.329  -3.887  18.548
  458   HG11  VAL  60          1HG1      VAL  60  -0.876  -2.299  16.373
  459   HG12  VAL  60          2HG1      VAL  60  -0.343  -2.422  18.062
  460   HG13  VAL  60          3HG1      VAL  60  -0.389  -3.862  17.051
  461   HG21  VAL  60          3HG2      VAL  60  -2.546  -1.613  19.156
  462   HG22  VAL  60          1HG2      VAL  60  -2.715  -1.065  17.465
  463   HG23  VAL  60          2HG2      VAL  60  -4.027  -1.922  18.282
  464    H    SER  61           H        SER  61  -3.265  -6.282  17.426
  465    HA   SER  61           HA       SER  61  -1.144  -7.352  15.870
  466    HG   SER  61           HG       SER  61  -2.429  -7.677  18.667
  467    HB2  SER  61           2HB      SER  61  -3.543  -8.781  17.096
  468    HB3  SER  61           3HB      SER  61  -2.028  -9.535  16.557
  469    H    GLY  62           H        GLY  62  -4.724  -7.349  15.289
  470    HA2  GLY  62           2HA      GLY  62  -4.605  -8.815  12.831
  471    HA3  GLY  62           3HA      GLY  62  -5.907  -7.730  13.361
  472    H    ASP  63           H        ASP  63  -4.563  -5.301  13.555
  473    HA   ASP  63           HA       ASP  63  -4.621  -4.293  10.920
  474    HB2  ASP  63           2HB      ASP  63  -4.989  -3.059  13.065
  475    HB3  ASP  63           3HB      ASP  63  -3.262  -3.121  13.388
  476    H    MET  64           H        MET  64  -1.805  -4.973  13.080
  477    HA   MET  64           HA       MET  64   0.165  -4.250  11.186
  478    HB2  MET  64           2HB      MET  64   0.201  -6.020  13.664
  479    HB3  MET  64           3HB      MET  64   1.639  -5.749  12.696
  480    HG2  MET  64           2HG      MET  64  -0.012  -3.594  14.061
  481    HG3  MET  64           3HG      MET  64   1.569  -4.169  14.566
  482    HE1  MET  64           3HE      MET  64   0.503  -1.074  13.929
  483    HE2  MET  64           1HE      MET  64   0.868  -0.520  12.280
  484    HE3  MET  64           2HE      MET  64  -0.426  -1.708  12.543
  485    H    GLN  65           H        GLN  65  -1.439  -7.429  11.766
  486    HA   GLN  65           HA       GLN  65   0.268  -8.844   9.953
  487    HB2  GLN  65           2HB      GLN  65  -2.554  -9.306  10.980
  488    HB3  GLN  65           3HB      GLN  65  -1.761 -10.434   9.880
  489    HG2  GLN  65           2HG      GLN  65  -0.338  -9.558  12.414
  490    HG3  GLN  65           3HG      GLN  65  -1.600 -10.784  12.490
  491   HE21  GLN  65          2HE2      GLN  65   1.686 -10.076  11.324
  492   HE22  GLN  65          1HE2      GLN  65   2.067 -11.740  10.899
  493    H    LYS  66           H        LYS  66  -2.727  -6.900   9.397
  494    HA   LYS  66           HA       LYS  66  -2.825  -7.512   6.593
  495    HB2  LYS  66           2HB      LYS  66  -3.846  -5.072   8.099
  496    HB3  LYS  66           3HB      LYS  66  -4.122  -5.389   6.387
  497    HG2  LYS  66           2HG      LYS  66  -5.287  -7.481   6.903
  498    HG3  LYS  66           3HG      LYS  66  -4.989  -7.249   8.635
  499    HD2  LYS  66           2HD      LYS  66  -6.294  -5.140   8.589
  500    HD3  LYS  66           3HD      LYS  66  -6.606  -5.376   6.851
  501    HE2  LYS  66           2HE      LYS  66  -7.708  -7.547   7.357
  502    HE3  LYS  66           3HE      LYS  66  -7.406  -7.299   9.082
  503    HZ1  LYS  66           3HZ      LYS  66  -9.651  -6.661   8.476
  504    HZ2  LYS  66           1HZ      LYS  66  -8.832  -5.337   8.985
  505    HZ3  LYS  66           2HZ      LYS  66  -9.117  -5.571   7.380
  506    H    GLN  67           H        GLN  67  -0.947  -5.145   8.502
  507    HA   GLN  67           HA       GLN  67  -0.083  -3.638   6.207
  508    HB2  GLN  67           2HB      GLN  67   1.379  -3.901   8.880
  509    HB3  GLN  67           3HB      GLN  67   1.672  -2.702   7.638
  510    HG2  GLN  67           2HG      GLN  67  -0.743  -2.925   9.435
  511    HG3  GLN  67           3HG      GLN  67   0.484  -1.687   9.455
  512   HE21  GLN  67          2HE2      GLN  67  -2.442  -1.410   9.225
  513   HE22  GLN  67          1HE2      GLN  67  -2.719  -0.554   7.707
  514    H    GLY  68           H        GLY  68   1.453  -6.168   8.154
  515    HA2  GLY  68           2HA      GLY  68   2.798  -7.888   6.776
  516    HA3  GLY  68           3HA      GLY  68   3.639  -6.458   6.146
  517    H    CYS  69           H        CYS  69   2.437  -7.103   9.506
  518    HA   CYS  69           HA       CYS  69   5.172  -7.278  10.577
  519    HG   CYS  69           HG       CYS  69   4.817  -3.278  10.978
  520    HB2  CYS  69           2HB      CYS  69   3.085  -5.149  11.246
  521    HB3  CYS  69           3HB      CYS  69   4.468  -5.530  12.283
  522    H    ASP  70           H        ASP  70   4.925  -7.722  13.032
  523    HA   ASP  70           HA       ASP  70   2.382  -9.012  13.840
  524    HB2  ASP  70           2HB      ASP  70   3.825 -10.820  12.929
  525    HB3  ASP  70           3HB      ASP  70   5.119 -10.324  14.029
  526    H    CYS  71           H        CYS  71   2.549  -9.426  16.347
  527    HA   CYS  71           HA       CYS  71   4.002  -7.103  17.556
  528    HG   CYS  71           HG       CYS  71   1.429  -7.003  15.556
  529    HB2  CYS  71           2HB      CYS  71   1.105  -7.942  17.959
  530    HB3  CYS  71           3HB      CYS  71   1.921  -6.608  18.789
  531    H    GLU  72           H        GLU  72   4.130  -7.096  19.863
  532    HA   GLU  72           HA       GLU  72   3.305  -9.407  21.441
  533    HB2  GLU  72           2HB      GLU  72   5.608 -10.015  20.837
  534    HB3  GLU  72           3HB      GLU  72   6.176  -8.377  21.185
  535    HG2  GLU  72           2HG      GLU  72   6.797  -9.843  22.995
  536    HG3  GLU  72           3HG      GLU  72   5.629  -8.663  23.563
  537    H    CYS  73           H        CYS  73   2.630  -8.544  23.482
  538    HA   CYS  73           HA       CYS  73   2.572  -5.570  23.619
  539    HG   CYS  73           HG       CYS  73  -0.247  -5.591  26.261
  540    HB2  CYS  73           2HB      CYS  73   0.519  -7.041  24.156
  541    HB3  CYS  73           3HB      CYS  73   1.378  -7.474  25.657
  542    H    LEU  74           H        LEU  74   3.942  -4.439  24.977
  543    HA   LEU  74           HA       LEU  74   5.843  -6.005  26.646
  544    HG   LEU  74           HG       LEU  74   6.421  -4.108  24.018
  545    HB2  LEU  74           2HB      LEU  74   5.758  -3.016  26.076
  546    HB3  LEU  74           3HB      LEU  74   6.989  -3.877  26.995
  547   HD11  LEU  74          1HD1      LEU  74   8.880  -3.188  25.580
  548   HD12  LEU  74          2HD1      LEU  74   8.734  -3.256  23.816
  549   HD13  LEU  74          3HD1      LEU  74   7.724  -2.133  24.737
  550   HD21  LEU  74          3HD2      LEU  74   8.371  -5.740  25.711
  551   HD22  LEU  74          1HD2      LEU  74   7.020  -6.360  24.731
  552   HD23  LEU  74          2HD2      LEU  74   8.420  -5.644  23.937
  553    H    GLY  75           H        GLY  75   2.883  -4.104  26.891
  554    HA2  GLY  75           2HA      GLY  75   1.998  -4.770  29.307
  555    HA3  GLY  75           3HA      GLY  75   3.246  -3.598  29.762
  556    H    GLY  76           H        GLY  76   1.004  -2.621  30.544
  557    HA2  GLY  76           2HA      GLY  76   0.378  -0.456  28.706
  558    HA3  GLY  76           3HA      GLY  76  -0.966  -1.577  28.935
  559    H    GLY  77           H        GLY  77  -1.814   0.567  29.709
  560    HA2  GLY  77           2HA      GLY  77  -2.075   0.755  32.530
  561    HA3  GLY  77           3HA      GLY  77  -0.865   1.928  31.965
  562    H    ARG  78           H        ARG  78  -2.064   3.827  32.097
  563    HA   ARG  78           HA       ARG  78  -4.345   4.109  30.216
  564    HE   ARG  78           HE       ARG  78  -4.973   4.881  34.929
  565    HB2  ARG  78           2HB      ARG  78  -4.270   5.147  33.078
  566    HB3  ARG  78           3HB      ARG  78  -5.551   5.443  31.904
  567    HG2  ARG  78           2HG      ARG  78  -6.178   3.076  31.908
  568    HG3  ARG  78           3HG      ARG  78  -4.848   2.678  33.003
  569    HD2  ARG  78           2HD      ARG  78  -7.170   4.510  33.693
  570    HD3  ARG  78           3HD      ARG  78  -7.002   2.818  34.168
  571   HH11  ARG  78          1HH2      ARG  78  -7.291   2.365  36.049
  572   HH12  ARG  78          2HH2      ARG  78  -6.711   2.503  37.700
  573   HH21  ARG  78          1HH1      ARG  78  -4.321   4.928  37.174
  574   HH22  ARG  78          2HH1      ARG  78  -5.099   3.819  38.279
  575    H    ILE  79           H        ILE  79  -4.526   6.259  29.440
  576    HA   ILE  79           HA       ILE  79  -2.337   8.145  30.155
  577    HB   ILE  79           HB       ILE  79  -3.625   7.708  27.421
  578   HG12  ILE  79          2HG1      ILE  79  -0.728   7.375  28.331
  579   HG13  ILE  79          3HG1      ILE  79  -1.851   6.057  28.065
  580   HG21  ILE  79          1HG2      ILE  79  -2.133   9.537  26.632
  581   HG22  ILE  79          2HG2      ILE  79  -3.252  10.122  27.837
  582   HG23  ILE  79          3HG2      ILE  79  -1.566   9.796  28.295
  583   HD11  ILE  79          3HD1      ILE  79  -0.378   6.225  26.185
  584   HD12  ILE  79          1HD1      ILE  79  -2.020   6.667  25.669
  585   HD13  ILE  79          2HD1      ILE  79  -0.779   7.922  25.928
  586    H    SER  80           H        SER  80  -3.116  10.258  30.503
  587    HA   SER  80           HA       SER  80  -6.076  10.522  30.760
  588    HG   SER  80           HG       SER  80  -4.178   9.592  33.838
  589    HB2  SER  80           2HB      SER  80  -4.028  11.411  32.809
  590    HB3  SER  80           3HB      SER  80  -5.780  11.251  33.008
  591    H    HIS  81           H        HIS  81  -6.866  12.626  30.925
  592    HA   HIS  81           HA       HIS  81  -5.597  14.647  29.345
  593    HD1  HIS  81           HD1      HIS  81  -7.223  16.040  27.665
  594    HD2  HIS  81           HD2      HIS  81  -8.328  17.514  31.442
  595    HE1  HIS  81           HE1      HIS  81  -7.640  18.556  27.369
  596    HB2  HIS  81           2HB      HIS  81  -8.084  14.253  29.656
  597    HB3  HIS  81           3HB      HIS  81  -7.939  14.896  31.287
  598    H    GLN  82           H        GLN  82  -5.256  16.861  30.182
  599    HA   GLN  82           HA       GLN  82  -3.540  16.984  32.516
  600    HB2  GLN  82           2HB      GLN  82  -3.244  19.359  31.831
  601    HB3  GLN  82           3HB      GLN  82  -2.833  18.180  30.591
  602    HG2  GLN  82           2HG      GLN  82  -4.914  18.629  29.375
  603    HG3  GLN  82           3HG      GLN  82  -5.452  19.724  30.650
  604   HE21  GLN  82          2HE2      GLN  82  -5.469  21.704  29.578
  605   HE22  GLN  82          1HE2      GLN  82  -4.074  22.398  28.783
  606    H    SER  83           H        SER  83  -5.555  16.087  33.594
  607    HA   SER  83           HA       SER  83  -6.554  18.205  35.386
  608    HG   SER  83           HG       SER  83  -9.272  15.868  33.460
  609    HB2  SER  83           2HB      SER  83  -8.837  17.149  35.265
  610    HB3  SER  83           3HB      SER  83  -8.315  17.981  33.781
  611    H    GLN  84           H        GLN  84  -6.128  14.730  34.607
  612    HA   GLN  84           HA       GLN  84  -6.188  13.742  37.297
  613    HB2  GLN  84           2HB      GLN  84  -6.423  12.376  35.256
  614    HB3  GLN  84           3HB      GLN  84  -4.767  12.742  34.783
  615    HG2  GLN  84           2HG      GLN  84  -5.122  11.480  37.489
  616    HG3  GLN  84           3HG      GLN  84  -5.571  10.495  36.106
  617   HE21  GLN  84          2HE2      GLN  84  -2.818  12.114  37.684
  618   HE22  GLN  84          1HE2      GLN  84  -1.592  11.226  36.788
  619    H    ASP  85           H        ASP  85  -3.861  15.589  35.467
  620    HA   ASP  85           HA       ASP  85  -2.140  16.040  37.741
  621    HB2  ASP  85           2HB      ASP  85  -1.106  13.990  36.818
  622    HB3  ASP  85           3HB      ASP  85  -1.138  14.702  35.205
  623    H    LYS  86           H        LYS  86  -0.445  17.741  36.871
  624    HA   LYS  86           HA       LYS  86  -1.862  19.917  35.702
  625    HB2  LYS  86           2HB      LYS  86   0.089  19.980  37.297
  626    HB3  LYS  86           3HB      LYS  86   1.154  19.516  35.964
  627    HG2  LYS  86           2HG      LYS  86   0.640  21.616  34.788
  628    HG3  LYS  86           3HG      LYS  86  -0.575  22.031  36.017
  629    HD2  LYS  86           2HD      LYS  86   1.221  22.144  37.739
  630    HD3  LYS  86           3HD      LYS  86   2.409  21.652  36.530
  631    HE2  LYS  86           2HE      LYS  86   2.600  24.023  36.798
  632    HE3  LYS  86           3HE      LYS  86   1.914  23.706  35.204
  633    HZ1  LYS  86           3HZ      LYS  86   0.370  24.538  37.597
  634    HZ2  LYS  86           1HZ      LYS  86   0.778  25.507  36.347
  635    HZ3  LYS  86           2HZ      LYS  86  -0.270  24.272  36.104
  636    H    LYS  87           H        LYS  87  -0.408  17.227  34.088
  637    HA   LYS  87           HA       LYS  87  -0.568  18.598  31.486
  638    HB2  LYS  87           2HB      LYS  87   1.905  17.944  32.851
  639    HB3  LYS  87           3HB      LYS  87   1.748  16.815  31.522
  640    HG2  LYS  87           2HG      LYS  87   1.455  19.845  31.234
  641    HG3  LYS  87           3HG      LYS  87   2.967  18.960  31.013
  642    HD2  LYS  87           2HD      LYS  87   1.895  17.583  29.233
  643    HD3  LYS  87           3HD      LYS  87   0.420  18.566  29.374
  644    HE2  LYS  87           2HE      LYS  87   1.569  20.571  28.680
  645    HE3  LYS  87           3HE      LYS  87   3.147  19.768  28.786
  646    HZ1  LYS  87           3HZ      LYS  87   2.547  18.344  26.990
  647    HZ2  LYS  87           1HZ      LYS  87   1.032  19.010  26.859
  648    HZ3  LYS  87           2HZ      LYS  87   2.349  19.914  26.500
  649    H    ILE  88           H        ILE  88  -0.346  16.812  29.700
  650    HA   ILE  88           HA       ILE  88  -2.199  14.667  30.125
  651    HB   ILE  88           HB       ILE  88  -0.072  15.141  27.988
  652   HG12  ILE  88          2HG1      ILE  88  -3.120  15.442  27.942
  653   HG13  ILE  88          3HG1      ILE  88  -1.974  16.774  28.075
  654   HG21  ILE  88          1HG2      ILE  88  -1.139  13.346  26.673
  655   HG22  ILE  88          2HG2      ILE  88  -0.540  12.699  28.189
  656   HG23  ILE  88          3HG2      ILE  88  -2.272  13.022  27.998
  657   HD11  ILE  88          3HD1      ILE  88  -2.717  16.685  25.808
  658   HD12  ILE  88          1HD1      ILE  88  -1.025  16.147  25.834
  659   HD13  ILE  88          2HD1      ILE  88  -2.347  14.963  25.663
  660    H    HIS  89           H        HIS  89  -1.816  12.711  31.046
  661    HA   HIS  89           HA       HIS  89   0.944  12.191  32.014
  662    HD1  HIS  89           HD1      HIS  89   1.358  13.436  35.358
  663    HD2  HIS  89           HD2      HIS  89  -0.751   9.830  34.883
  664    HE1  HIS  89           HE1      HIS  89   2.047  11.936  37.301
  665    HB2  HIS  89           2HB      HIS  89  -0.457  13.472  33.561
  666    HB3  HIS  89           3HB      HIS  89  -1.637  12.163  33.606
  667    H    VAL  90           H        VAL  90   1.207   9.946  32.878
  668    HA   VAL  90           HA       VAL  90  -0.647   7.953  31.698
  669    HB   VAL  90           HB       VAL  90   2.384   7.711  31.690
  670   HG11  VAL  90          1HG1      VAL  90   0.251   6.221  30.118
  671   HG12  VAL  90          2HG1      VAL  90   1.999   5.920  30.083
  672   HG13  VAL  90          3HG1      VAL  90   1.071   5.610  31.563
  673   HG21  VAL  90          3HG2      VAL  90   2.267   8.134  29.204
  674   HG22  VAL  90          1HG2      VAL  90   0.613   8.746  29.441
  675   HG23  VAL  90          2HG2      VAL  90   1.987   9.562  30.196
  676    H    TYR  91           H        TYR  91  -1.162   6.278  33.135
  677    HA   TYR  91           HA       TYR  91   0.468   5.706  35.446
  678    HD1  TYR  91           HD2      TYR  91  -3.040   7.065  34.136
  679    HD2  TYR  91           HD1      TYR  91  -2.718   7.032  38.448
  680    HE1  TYR  91           HE2      TYR  91  -5.477   7.363  34.326
  681    HE2  TYR  91           HE1      TYR  91  -5.153   7.368  38.633
  682    HH   TYR  91           HH       TYR  91  -7.165   7.627  37.471
  683    HB2  TYR  91           2HB      TYR  91  -0.834   6.512  37.182
  684    HB3  TYR  91           3HB      TYR  91  -0.755   7.867  36.098
  685    H    GLY  92           H        GLY  92  -0.951   4.180  37.017
  686    HA2  GLY  92           2HA      GLY  92  -2.183   2.273  37.252
  687    HA3  GLY  92           3HA      GLY  92  -2.962   2.565  35.690
  688    H    TYR  93           H        TYR  93  -2.528   0.092  35.844
  689    HA   TYR  93           HA       TYR  93  -0.270  -0.474  34.075
  690    HD1  TYR  93           HD2      TYR  93  -1.882  -3.789  36.216
  691    HD2  TYR  93           HD1      TYR  93  -0.028  -0.504  38.318
  692    HE1  TYR  93           HE2      TYR  93  -3.020  -4.485  38.298
  693    HE2  TYR  93           HE1      TYR  93  -1.115  -1.229  40.416
  694    HH   TYR  93           HH       TYR  93  -2.557  -2.773  41.417
  695    HB2  TYR  93           2HB      TYR  93   0.188  -2.589  35.347
  696    HB3  TYR  93           3HB      TYR  93   0.736  -1.117  36.123
  697    H    SER  94           H        SER  94  -0.792  -2.363  32.720
  698    HA   SER  94           HA       SER  94  -3.608  -2.482  32.235
  699    HG   SER  94           HG       SER  94  -0.403  -3.918  31.344
  700    HB2  SER  94           2HB      SER  94  -3.121  -4.195  30.544
  701    HB3  SER  94           3HB      SER  94  -2.124  -2.754  30.364
  702    H    MET  95           H        MET  95  -5.150  -4.046  32.656
  703    HA   MET  95           HA       MET  95  -4.652  -5.899  34.856
  704    HB2  MET  95           2HB      MET  95  -6.993  -5.623  32.913
  705    HB3  MET  95           3HB      MET  95  -6.945  -6.714  34.304
  706    HG2  MET  95           2HG      MET  95  -6.656  -4.774  35.826
  707    HG3  MET  95           3HG      MET  95  -6.700  -3.683  34.445
  708    HE1  MET  95           3HE      MET  95  -9.003  -6.867  35.385
  709    HE2  MET  95           1HE      MET  95  -8.699  -5.955  36.882
  710    HE3  MET  95           2HE      MET  95 -10.329  -5.992  36.177
  711    H    ALA  96           H        ALA  96  -4.544  -5.978  31.330
  712    HA   ALA  96           HA       ALA  96  -4.707  -8.814  31.047
  713    HB1  ALA  96           3HB      ALA  96  -4.077  -8.335  28.701
  714    HB2  ALA  96           1HB      ALA  96  -5.369  -7.262  29.270
  715    HB3  ALA  96           2HB      ALA  96  -3.697  -6.659  29.146
  716    H    TYR  97           H        TYR  97  -1.856  -6.617  31.421
  717    HA   TYR  97           HA       TYR  97  -0.110  -9.041  31.188
  718    HD1  TYR  97           HD1      TYR  97  -0.175  -9.620  28.465
  719    HD2  TYR  97           HD2      TYR  97  -0.888  -5.370  28.637
  720    HE1  TYR  97           HE1      TYR  97  -1.666  -9.797  26.501
  721    HE2  TYR  97           HE2      TYR  97  -2.362  -5.530  26.656
  722    HH   TYR  97           HH       TYR  97  -3.080  -8.669  25.069
  723    HB2  TYR  97           2HB      TYR  97   0.659  -6.336  30.095
  724    HB3  TYR  97           3HB      TYR  97   1.370  -7.899  29.755
  725    H    GLY  98           H        GLY  98  -0.121  -5.582  32.195
  726    HA2  GLY  98           2HA      GLY  98   0.796  -5.453  34.695
  727    HA3  GLY  98           3HA      GLY  98   2.255  -6.018  33.858
  728    HA   PRO  99           HA       PRO  99   1.882  -1.334  33.561
  729    HB2  PRO  99           2HB      PRO  99   4.470  -0.765  34.413
  730    HB3  PRO  99           3HB      PRO  99   3.036  -0.837  35.484
  731    HG2  PRO  99           2HG      PRO  99   5.127  -2.957  34.969
  732    HG3  PRO  99           3HG      PRO  99   4.382  -2.485  36.528
  733    HD2  PRO  99           2HD      PRO  99   3.583  -4.686  35.133
  734    HD3  PRO  99           3HD      PRO  99   2.413  -3.692  36.051
  735    H    ALA 100           H        ALA 100   2.476  -0.259  31.743
  736    HA   ALA 100           HA       ALA 100   4.338  -1.452  29.798
  737    HB1  ALA 100           3HB      ALA 100   2.528  -0.177  28.834
  738    HB2  ALA 100           1HB      ALA 100   2.774   1.157  29.977
  739    HB3  ALA 100           2HB      ALA 100   3.947   0.845  28.685
  740    H    GLN 101           H        GLN 101   6.202  -0.030  29.054
  741    HA   GLN 101           HA       GLN 101   7.662   1.100  31.334
  742    HB2  GLN 101           2HB      GLN 101   8.468   0.723  28.424
  743    HB3  GLN 101           3HB      GLN 101   9.479   1.449  29.686
  744    HG2  GLN 101           2HG      GLN 101   9.206  -0.651  31.057
  745    HG3  GLN 101           3HG      GLN 101   8.345  -1.390  29.714
  746   HE21  GLN 101          2HE2      GLN 101   9.551  -1.865  27.712
  747   HE22  GLN 101          1HE2      GLN 101  11.298  -1.962  27.748
  748    H    HIS 102           H        HIS 102   5.982   2.604  31.765
  749    HA   HIS 102           HA       HIS 102   4.852   4.408  30.035
  750    HD1  HIS 102           HD1      HIS 102   4.559   3.036  34.424
  751    HD2  HIS 102           HD2      HIS 102   2.385   3.755  30.907
  752    HE1  HIS 102           HE1      HIS 102   2.557   1.456  34.463
  753    HB2  HIS 102           2HB      HIS 102   5.542   4.946  32.944
  754    HB3  HIS 102           3HB      HIS 102   4.293   5.752  31.996
  755    H    ALA 103           H        ALA 103   8.071   4.730  31.582
  756    HA   ALA 103           HA       ALA 103   8.528   7.444  30.904
  757    HB1  ALA 103           3HB      ALA 103  10.906   6.893  31.220
  758    HB2  ALA 103           1HB      ALA 103   9.920   6.168  32.505
  759    HB3  ALA 103           2HB      ALA 103  10.536   5.159  31.174
  760    H    ILE 104           H        ILE 104   9.106   4.431  29.013
  761    HA   ILE 104           HA       ILE 104  10.406   5.758  26.788
  762    HB   ILE 104           HB       ILE 104   8.934   3.084  26.993
  763   HG12  ILE 104          2HG1      ILE 104  11.904   3.791  27.012
  764   HG13  ILE 104          3HG1      ILE 104  10.959   3.225  28.389
  765   HG21  ILE 104          1HG2      ILE 104   8.896   3.880  24.659
  766   HG22  ILE 104          2HG2      ILE 104  10.657   4.119  24.701
  767   HG23  ILE 104          3HG2      ILE 104   9.949   2.491  24.825
  768   HD11  ILE 104          3HD1      ILE 104  10.531   1.071  27.115
  769   HD12  ILE 104          1HD1      ILE 104  11.744   1.623  25.935
  770   HD13  ILE 104          2HD1      ILE 104  12.209   1.363  27.621
  771    H    SER 105           H        SER 105   7.068   4.712  27.549
  772    HA   SER 105           HA       SER 105   5.838   5.628  25.218
  773    HG   SER 105           HG       SER 105   5.590   3.559  27.531
  774    HB2  SER 105           2HB      SER 105   4.610   5.580  27.996
  775    HB3  SER 105           3HB      SER 105   3.776   5.487  26.440
  776    H    THR 106           H        THR 106   6.448   7.585  28.290
  777    HA   THR 106           HA       THR 106   5.110   9.860  27.227
  778    HB   THR 106           HB       THR 106   6.513  11.113  28.975
  779    HG1  THR 106           1HG      THR 106   8.188   9.528  29.209
  780   HG21  THR 106          3HG2      THR 106   5.175  10.244  30.809
  781   HG22  THR 106          1HG2      THR 106   4.194  10.327  29.343
  782   HG23  THR 106          2HG2      THR 106   4.810   8.760  29.903
  783    H    GLU 107           H        GLU 107   8.561   8.810  26.900
  784    HA   GLU 107           HA       GLU 107   9.394  11.230  25.639
  785    HB2  GLU 107           2HB      GLU 107  10.427   8.370  25.497
  786    HB3  GLU 107           3HB      GLU 107  11.183   9.714  24.633
  787    HG2  GLU 107           2HG      GLU 107  11.492  10.934  26.775
  788    HG3  GLU 107           3HG      GLU 107  10.826   9.564  27.656
  789    H    LYS 108           H        LYS 108   7.958   8.220  24.381
  790    HA   LYS 108           HA       LYS 108   8.144   8.945  21.600
  791    HB2  LYS 108           2HB      LYS 108   6.441   6.986  23.183
  792    HB3  LYS 108           3HB      LYS 108   6.240   7.206  21.432
  793    HG2  LYS 108           2HG      LYS 108   8.639   6.706  21.094
  794    HG3  LYS 108           3HG      LYS 108   8.844   6.426  22.821
  795    HD2  LYS 108           2HD      LYS 108   7.443   4.493  22.805
  796    HD3  LYS 108           3HD      LYS 108   6.817   4.836  21.182
  797    HE2  LYS 108           2HE      LYS 108   9.780   4.415  21.671
  798    HE3  LYS 108           3HE      LYS 108   8.698   3.037  21.422
  799    HZ1  LYS 108           3HZ      LYS 108   8.291   3.638  19.259
  800    HZ2  LYS 108           1HZ      LYS 108   8.554   5.209  19.464
  801    HZ3  LYS 108           2HZ      LYS 108   9.840   4.162  19.382
  802    H    ILE 109           H        ILE 109   5.464   9.346  23.995
  803    HA   ILE 109           HA       ILE 109   3.702  10.641  22.168
  804    HB   ILE 109           HB       ILE 109   3.904  10.871  25.192
  805   HG12  ILE 109          2HG1      ILE 109   1.882   9.227  23.610
  806   HG13  ILE 109          3HG1      ILE 109   3.406   8.532  24.071
  807   HG21  ILE 109          1HG2      ILE 109   1.595  11.605  23.315
  808   HG22  ILE 109          2HG2      ILE 109   1.526  11.641  25.090
  809   HG23  ILE 109          3HG2      ILE 109   2.580  12.749  24.231
  810   HD11  ILE 109          3HD1      ILE 109   1.294   9.587  25.991
  811   HD12  ILE 109          1HD1      ILE 109   1.783   7.907  25.730
  812   HD13  ILE 109          2HD1      ILE 109   2.914   9.040  26.482
  813    H    LYS 110           H        LYS 110   6.211  11.994  24.397
  814    HA   LYS 110           HA       LYS 110   5.870  14.714  23.808
  815    HB2  LYS 110           2HB      LYS 110   7.327  13.897  25.591
  816    HB3  LYS 110           3HB      LYS 110   8.373  13.092  24.426
  817    HG2  LYS 110           2HG      LYS 110   8.973  15.318  23.454
  818    HG3  LYS 110           3HG      LYS 110   8.008  16.084  24.729
  819    HD2  LYS 110           2HD      LYS 110  10.248  14.142  25.388
  820    HD3  LYS 110           3HD      LYS 110  10.625  15.811  24.984
  821    HE2  LYS 110           2HE      LYS 110   8.550  15.224  27.114
  822    HE3  LYS 110           3HE      LYS 110  10.263  15.074  27.500
  823    HZ1  LYS 110           3HZ      LYS 110   9.094  17.566  26.390
  824    HZ2  LYS 110           1HZ      LYS 110   9.364  17.269  28.009
  825    HZ3  LYS 110           2HZ      LYS 110  10.605  17.345  26.949
  826    H    ALA 111           H        ALA 111   7.928  12.304  22.077
  827    HA   ALA 111           HA       ALA 111   8.876  14.098  20.124
  828    HB1  ALA 111           3HB      ALA 111   8.466  11.081  19.916
  829    HB2  ALA 111           1HB      ALA 111   9.521  12.070  18.891
  830    HB3  ALA 111           2HB      ALA 111   9.888  11.889  20.619
  831    H    LYS 112           H        LYS 112   5.805  12.270  20.238
  832    HA   LYS 112           HA       LYS 112   5.224  12.436  17.468
  833    HB2  LYS 112           2HB      LYS 112   4.052  10.910  19.036
  834    HB3  LYS 112           3HB      LYS 112   3.307  12.289  19.840
  835    HG2  LYS 112           2HG      LYS 112   1.664  11.326  18.420
  836    HG3  LYS 112           3HG      LYS 112   2.112  12.875  17.722
  837    HD2  LYS 112           2HD      LYS 112   3.639  11.642  16.118
  838    HD3  LYS 112           3HD      LYS 112   3.036  10.120  16.767
  839    HE2  LYS 112           2HE      LYS 112   1.408  12.294  15.365
  840    HE3  LYS 112           3HE      LYS 112   1.940  10.775  14.644
  841    HZ1  LYS 112           3HZ      LYS 112  -0.015  11.037  16.854
  842    HZ2  LYS 112           1HZ      LYS 112  -0.336  10.600  15.314
  843    HZ3  LYS 112           2HZ      LYS 112   0.527   9.598  16.278
  844    H    TYR 113           H        TYR 113   4.275  14.640  20.165
  845    HA   TYR 113           HA       TYR 113   4.169  16.879  18.341
  846    HD1  TYR 113           HD2      TYR 113   2.506  18.265  16.736
  847    HD2  TYR 113           HD1      TYR 113   0.380  17.623  20.436
  848    HE1  TYR 113           HE2      TYR 113   1.549  20.546  16.582
  849    HE2  TYR 113           HE1      TYR 113  -0.575  19.895  20.291
  850    HH   TYR 113           HH       TYR 113  -0.682  21.871  19.060
  851    HB2  TYR 113           2HB      TYR 113   2.039  15.931  17.708
  852    HB3  TYR 113           3HB      TYR 113   1.523  15.787  19.369
  853    HA   PRO 114           HA       PRO 114   3.274  18.588  22.684
  854    HB2  PRO 114           2HB      PRO 114   2.930  17.019  24.910
  855    HB3  PRO 114           3HB      PRO 114   1.618  17.412  23.766
  856    HG2  PRO 114           2HG      PRO 114   3.394  14.946  23.743
  857    HG3  PRO 114           3HG      PRO 114   1.595  15.007  23.762
  858    HD2  PRO 114           2HD      PRO 114   2.872  14.734  21.429
  859    HD3  PRO 114           3HD      PRO 114   1.520  15.880  21.563
  860    H    ASP 115           H        ASP 115   5.600  18.535  21.663
  861    HA   ASP 115           HA       ASP 115   7.777  17.263  22.828
  862    HB2  ASP 115           2HB      ASP 115   7.897  18.508  20.755
  863    HB3  ASP 115           3HB      ASP 115   7.577  20.025  21.600
  864    H    TYR 116           H        TYR 116   6.035  20.107  24.009
  865    HA   TYR 116           HA       TYR 116   7.958  21.150  25.760
  866    HD1  TYR 116           HD2      TYR 116   7.423  23.926  26.192
  867    HD2  TYR 116           HD1      TYR 116   4.809  21.398  28.517
  868    HE1  TYR 116           HE2      TYR 116   7.768  25.384  28.159
  869    HE2  TYR 116           HE1      TYR 116   5.148  22.853  30.489
  870    HH   TYR 116           HH       TYR 116   7.248  25.757  30.401
  871    HB2  TYR 116           2HB      TYR 116   5.865  22.292  25.111
  872    HB3  TYR 116           3HB      TYR 116   4.930  21.160  26.081
  873    H    GLU 117           H        GLU 117   5.331  18.741  26.576
  874    HA   GLU 117           HA       GLU 117   7.025  17.267  28.232
  875    HB2  GLU 117           2HB      GLU 117   6.351  19.529  29.664
  876    HB3  GLU 117           3HB      GLU 117   4.955  18.535  30.013
  877    HG2  GLU 117           2HG      GLU 117   6.530  18.198  31.761
  878    HG3  GLU 117           3HG      GLU 117   6.519  16.717  30.819
  879    H    VAL 118           H        VAL 118   6.027  15.462  29.182
  880    HA   VAL 118           HA       VAL 118   3.163  15.013  29.159
  881    HB   VAL 118           HB       VAL 118   5.023  12.900  27.978
  882   HG11  VAL 118          1HG1      VAL 118   2.948  11.839  27.249
  883   HG12  VAL 118          2HG1      VAL 118   2.819  12.203  28.974
  884   HG13  VAL 118          3HG1      VAL 118   1.994  13.235  27.797
  885   HG21  VAL 118          3HG2      VAL 118   3.325  14.810  26.331
  886   HG22  VAL 118          1HG2      VAL 118   5.101  14.722  26.346
  887   HG23  VAL 118          2HG2      VAL 118   4.172  13.362  25.736
  888    H    THR 119           H        THR 119   2.808  13.723  31.122
  889    HA   THR 119           HA       THR 119   5.301  13.169  32.671
  890    HB   THR 119           HB       THR 119   3.745  13.738  34.629
  891    HG1  THR 119           1HG      THR 119   1.961  14.919  34.198
  892   HG21  THR 119          3HG2      THR 119   5.543  15.240  33.826
  893   HG22  THR 119          1HG2      THR 119   4.430  15.952  32.638
  894   HG23  THR 119          2HG2      THR 119   4.127  16.149  34.378
  895    H    TRP 120           H        TRP 120   4.982  11.568  34.504
  896    HA   TRP 120           HA       TRP 120   2.744   9.814  34.334
  897    HD1  TRP 120           HD1      TRP 120   6.838   9.655  32.453
  898    HE1  TRP 120           HE1      TRP 120   8.973   8.570  33.323
  899    HE3  TRP 120           HE3      TRP 120   4.755   6.223  35.638
  900    HZ2  TRP 120           HZ2      TRP 120   9.705   6.425  35.149
  901    HZ3  TRP 120           HZ3      TRP 120   6.195   4.667  36.919
  902    HH2  TRP 120           HH2      TRP 120   8.667   4.756  36.680
  903    HB2  TRP 120           2HB      TRP 120   3.811   7.754  33.827
  904    HB3  TRP 120           3HB      TRP 120   4.235   8.839  32.528
  905    H    ALA 121           H        ALA 121   2.808   8.278  36.152
  906    HA   ALA 121           HA       ALA 121   4.947   8.635  38.154
  907    HB1  ALA 121           3HB      ALA 121   3.384  10.452  38.738
  908    HB2  ALA 121           1HB      ALA 121   2.033   9.293  38.804
  909    HB3  ALA 121           2HB      ALA 121   3.362   9.185  39.978
  910    H    ASN 122           H        ASN 122   1.992   7.009  37.128
  911    HA   ASN 122           HA       ASN 122   0.928   5.142  37.793
  912    HB2  ASN 122           2HB      ASN 122   2.552   4.171  36.259
  913    HB3  ASN 122           3HB      ASN 122   3.689   3.946  37.601
  914   HD21  ASN 122          2HD2      ASN 122   3.680   1.604  37.259
  915   HD22  ASN 122          1HD2      ASN 122   2.300   0.651  37.751
  916    H    ASP 123           H        ASP 123   0.705   6.490  39.889
  917    HA   ASP 123           HA       ASP 123   1.848   5.531  42.306
  918    HB2  ASP 123           2HB      ASP 123   0.557   7.600  42.203
  919    HB3  ASP 123           3HB      ASP 123  -0.894   6.713  41.732
  920    H    GLY 124           H        GLY 124  -0.893   4.375  40.351
  921    HA2  GLY 124           2HA      GLY 124  -0.548   1.702  40.742
  922    HA3  GLY 124           3HA      GLY 124  -1.645   2.173  42.055
  923    H    TYR 125           H        TYR 125  -2.741   0.458  40.360
  924    HA   TYR 125           HA       TYR 125  -4.212   1.687  38.181
  925    HD1  TYR 125           HD1      TYR 125  -4.906  -0.397  36.095
  926    HD2  TYR 125           HD2      TYR 125  -7.197  -0.602  39.740
  927    HE1  TYR 125           HE1      TYR 125  -6.975  -0.627  34.765
  928    HE2  TYR 125           HE2      TYR 125  -9.281  -0.833  38.419
  929    HH   TYR 125           HH       TYR 125  -9.299  -0.855  34.834
  930    HB2  TYR 125           2HB      TYR 125  -3.808  -0.751  38.256
  931    HB3  TYR 125           3HB      TYR 125  -4.733  -0.865  39.752
  Start of MODEL    7
    1    HA   MET   1           HA       MET   1  -1.303  -7.195   0.770
    2    H1   MET   1           H1       MET   1  -1.126  -8.964  -1.560
    3    H2   MET   1           H2       MET   1  -2.028  -7.606  -1.449
    4    H3   MET   1           H3       MET   1  -2.388  -8.901  -0.504
    5    HB2  MET   1           2HB      MET   1  -0.952  -9.681   1.255
    6    HB3  MET   1           3HB      MET   1   0.600  -9.550   0.418
    7    HG2  MET   1           2HG      MET   1   1.297  -7.804   2.067
    8    HG3  MET   1           3HG      MET   1  -0.274  -7.953   2.863
    9    HE1  MET   1           3HE      MET   1   0.641  -8.371   5.218
   10    HE2  MET   1           1HE      MET   1   2.018  -9.429   5.578
   11    HE3  MET   1           2HE      MET   1   2.241  -7.994   4.552
   12    H    ALA   2           H        ALA   2   0.628  -5.880   1.148
   13    HA   ALA   2           HA       ALA   2   2.592  -5.673  -1.041
   14    HB1  ALA   2           3HB      ALA   2   0.818  -4.006  -1.566
   15    HB2  ALA   2           1HB      ALA   2   0.987  -3.321   0.069
   16    HB3  ALA   2           2HB      ALA   2   2.331  -3.218  -1.086
   17    H    VAL   3           H        VAL   3   4.367  -4.064  -0.224
   18    HA   VAL   3           HA       VAL   3   5.273  -4.892   2.367
   19    HB   VAL   3           HB       VAL   3   7.131  -3.290   1.856
   20   HG11  VAL   3          1HG1      VAL   3   6.531  -5.301  -0.355
   21   HG12  VAL   3          2HG1      VAL   3   8.117  -4.629   0.066
   22   HG13  VAL   3          3HG1      VAL   3   7.270  -5.662   1.221
   23   HG21  VAL   3          3HG2      VAL   3   5.881  -1.671   0.420
   24   HG22  VAL   3          1HG2      VAL   3   7.361  -2.276  -0.333
   25   HG23  VAL   3          2HG2      VAL   3   5.791  -2.901  -0.860
   26    H    ALA   4           H        ALA   4   6.046  -3.237   3.930
   27    HA   ALA   4           HA       ALA   4   4.750  -0.680   4.138
   28    HB1  ALA   4           3HB      ALA   4   3.053  -2.166   5.252
   29    HB2  ALA   4           1HB      ALA   4   4.333  -2.777   6.327
   30    HB3  ALA   4           2HB      ALA   4   3.841  -1.072   6.401
   31    H    ASP   5           H        ASP   5   5.727   0.144   6.531
   32    HA   ASP   5           HA       ASP   5   8.325  -1.048   7.107
   33    HB2  ASP   5           2HB      ASP   5   8.802   0.482   5.167
   34    HB3  ASP   5           3HB      ASP   5   8.157   1.828   6.110
   35    H    LEU   6           H        LEU   6   9.130  -0.258   9.147
   36    HA   LEU   6           HA       LEU   6   7.101   0.329  11.044
   37    HG   LEU   6           HG       LEU   6   9.417  -1.787  10.785
   38    HB2  LEU   6           2HB      LEU   6  10.130   0.558  11.238
   39    HB3  LEU   6           3HB      LEU   6   9.019   0.615  12.600
   40   HD11  LEU   6          1HD1      LEU   6  10.478  -2.782  12.765
   41   HD12  LEU   6          2HD1      LEU   6  11.351  -1.343  12.221
   42   HD13  LEU   6          3HD1      LEU   6  10.300  -1.251  13.650
   43   HD21  LEU   6          3HD2      LEU   6   8.097  -3.008  12.545
   44   HD22  LEU   6          1HD2      LEU   6   7.692  -1.449  13.285
   45   HD23  LEU   6          2HD2      LEU   6   7.139  -1.842  11.644
   46    H    ALA   7           H        ALA   7   9.081   2.518   9.084
   47    HA   ALA   7           HA       ALA   7   8.583   4.845  10.711
   48    HB1  ALA   7           3HB      ALA   7   9.329   6.075   8.716
   49    HB2  ALA   7           1HB      ALA   7  10.415   4.707   9.044
   50    HB3  ALA   7           2HB      ALA   7   9.208   4.597   7.738
   51    H    LEU   8           H        LEU   8   6.726   3.112   8.221
   52    HA   LEU   8           HA       LEU   8   4.887   5.350   7.702
   53    HG   LEU   8           HG       LEU   8   6.571   3.534   5.745
   54    HB2  LEU   8           2HB      LEU   8   4.705   2.389   6.970
   55    HB3  LEU   8           3HB      LEU   8   3.600   3.639   6.429
   56   HD11  LEU   8          1HD1      LEU   8   4.119   2.925   4.039
   57   HD12  LEU   8          2HD1      LEU   8   5.810   2.932   3.486
   58   HD13  LEU   8          3HD1      LEU   8   5.277   1.735   4.671
   59   HD21  LEU   8          3HD2      LEU   8   6.009   5.295   4.075
   60   HD22  LEU   8          1HD2      LEU   8   4.375   5.414   4.766
   61   HD23  LEU   8          2HD2      LEU   8   5.802   5.855   5.734
   62    H    ILE   9           H        ILE   9   5.069   2.437   9.681
   63    HA   ILE   9           HA       ILE   9   2.368   2.413  10.593
   64    HB   ILE   9           HB       ILE   9   4.980   1.246  11.581
   65   HG12  ILE   9          2HG1      ILE   9   2.443  -0.149  10.622
   66   HG13  ILE   9          3HG1      ILE   9   3.633   0.452   9.476
   67   HG21  ILE   9          1HG2      ILE   9   3.715   1.603  13.634
   68   HG22  ILE   9          2HG2      ILE   9   2.253   0.911  12.904
   69   HG23  ILE   9          3HG2      ILE   9   3.667  -0.112  13.230
   70   HD11  ILE   9          3HD1      ILE   9   4.277  -1.586  11.633
   71   HD12  ILE   9          1HD1      ILE   9   3.935  -1.930   9.927
   72   HD13  ILE   9          2HD1      ILE   9   5.361  -0.975  10.359
   73    HA   PRO  10           HA       PRO  10   2.749   6.263  12.756
   74    HB2  PRO  10           2HB      PRO  10   0.436   6.229  14.303
   75    HB3  PRO  10           3HB      PRO  10   0.504   6.632  12.561
   76    HG2  PRO  10           2HG      PRO  10  -0.212   3.993  13.842
   77    HG3  PRO  10           3HG      PRO  10  -1.012   4.818  12.471
   78    HD2  PRO  10           2HD      PRO  10   0.760   2.787  12.096
   79    HD3  PRO  10           3HD      PRO  10   0.690   4.175  10.967
   80    H    ASP  11           H        ASP  11   3.646   6.965  14.675
   81    HA   ASP  11           HA       ASP  11   4.749   4.819  16.265
   82    HB2  ASP  11           2HB      ASP  11   5.862   6.974  15.283
   83    HB3  ASP  11           3HB      ASP  11   5.240   7.773  16.735
   84    H    VAL  12           H        VAL  12   2.413   7.393  16.830
   85    HA   VAL  12           HA       VAL  12   1.637   6.227  19.431
   86    HB   VAL  12           HB       VAL  12   2.038   9.192  18.832
   87   HG11  VAL  12          1HG1      VAL  12   1.480   9.568  21.194
   88   HG12  VAL  12          2HG1      VAL  12   0.136   8.790  20.365
   89   HG13  VAL  12          3HG1      VAL  12   1.186   7.830  21.430
   90   HG21  VAL  12          3HG2      VAL  12   3.639   7.351  20.654
   91   HG22  VAL  12          1HG2      VAL  12   4.214   8.173  19.183
   92   HG23  VAL  12          2HG2      VAL  12   3.770   9.125  20.591
   93    H    ASP  13           H        ASP  13  -0.626   6.027  19.461
   94    HA   ASP  13           HA       ASP  13  -2.244   7.861  17.882
   95    HB2  ASP  13           2HB      ASP  13  -1.690   5.922  16.312
   96    HB3  ASP  13           3HB      ASP  13  -2.672   4.900  17.358
   97    H    ILE  14           H        ILE  14  -3.288   8.600  19.611
   98    HA   ILE  14           HA       ILE  14  -4.743   6.813  21.414
   99    HB   ILE  14           HB       ILE  14  -3.870   7.889  23.404
  100   HG12  ILE  14          2HG1      ILE  14  -1.928   9.419  21.612
  101   HG13  ILE  14          3HG1      ILE  14  -3.291  10.113  22.489
  102   HG21  ILE  14          1HG2      ILE  14  -1.457   6.913  21.832
  103   HG22  ILE  14          2HG2      ILE  14  -1.760   6.783  23.581
  104   HG23  ILE  14          3HG2      ILE  14  -2.727   5.848  22.444
  105   HD11  ILE  14          3HD1      ILE  14  -2.234   9.448  24.647
  106   HD12  ILE  14          1HD1      ILE  14  -0.806   8.889  23.741
  107   HD13  ILE  14          2HD1      ILE  14  -1.269  10.595  23.697
  108    H    ASP  15           H        ASP  15  -6.290   8.166  22.747
  109    HA   ASP  15           HA       ASP  15  -6.865  10.857  21.611
  110    HB2  ASP  15           2HB      ASP  15  -8.303   9.140  20.479
  111    HB3  ASP  15           3HB      ASP  15  -8.953   8.713  22.063
  112    H    SER  16           H        SER  16  -5.475  10.101  23.953
  113    HA   SER  16           HA       SER  16  -7.114  10.093  26.275
  114    HG   SER  16           HG       SER  16  -5.408   8.133  26.129
  115    HB2  SER  16           2HB      SER  16  -4.147  10.682  26.046
  116    HB3  SER  16           3HB      SER  16  -5.025   9.967  27.415
  117    H    ASP  17           H        ASP  17  -7.896  12.353  24.807
  118    HA   ASP  17           HA       ASP  17  -6.887  14.838  25.893
  119    HB2  ASP  17           2HB      ASP  17  -8.228  14.728  23.841
  120    HB3  ASP  17           3HB      ASP  17  -9.589  14.054  24.739
  121    H    GLY  18           H        GLY  18  -8.639  12.243  27.232
  122    HA2  GLY  18           2HA      GLY  18  -8.870  13.528  29.824
  123    HA3  GLY  18           3HA      GLY  18 -10.374  12.841  29.165
  124    H    VAL  19           H        VAL  19  -9.886  11.391  31.224
  125    HA   VAL  19           HA       VAL  19  -7.720   9.607  31.286
  126    HB   VAL  19           HB       VAL  19 -10.510   9.044  32.360
  127   HG11  VAL  19          1HG1      VAL  19  -7.753   8.077  33.259
  128   HG12  VAL  19          2HG1      VAL  19  -9.292   7.713  34.060
  129   HG13  VAL  19          3HG1      VAL  19  -8.983   7.099  32.434
  130   HG21  VAL  19          3HG2      VAL  19  -9.744  10.050  34.492
  131   HG22  VAL  19          1HG2      VAL  19  -8.282  10.636  33.686
  132   HG23  VAL  19          2HG2      VAL  19  -9.879  11.244  33.205
  133    H    PHE  20           H        PHE  20  -7.192   7.868  30.000
  134    HA   PHE  20           HA       PHE  20  -9.268   6.007  29.259
  135    HD1  PHE  20           HD1      PHE  20 -11.081   5.775  27.641
  136    HD2  PHE  20           HD2      PHE  20  -7.427   5.438  25.370
  137    HE1  PHE  20           HE1      PHE  20 -12.021   3.836  26.405
  138    HE2  PHE  20           HE2      PHE  20  -8.346   3.464  24.198
  139    HZ   PHE  20           HZ       PHE  20 -10.653   2.671  24.689
  140    HB2  PHE  20           2HB      PHE  20  -9.260   7.721  27.337
  141    HB3  PHE  20           3HB      PHE  20  -7.628   7.177  26.973
  142    H    LYS  21           H        LYS  21  -8.384   3.925  28.768
  143    HA   LYS  21           HA       LYS  21  -5.729   3.429  29.833
  144    HB2  LYS  21           2HB      LYS  21  -7.737   1.596  28.475
  145    HB3  LYS  21           3HB      LYS  21  -6.138   1.082  28.998
  146    HG2  LYS  21           2HG      LYS  21  -6.700   2.021  31.325
  147    HG3  LYS  21           3HG      LYS  21  -8.364   2.165  30.768
  148    HD2  LYS  21           2HD      LYS  21  -7.993   0.112  32.078
  149    HD3  LYS  21           3HD      LYS  21  -8.509  -0.247  30.434
  150    HE2  LYS  21           2HE      LYS  21  -6.738  -1.782  31.242
  151    HE3  LYS  21           3HE      LYS  21  -6.290  -0.925  29.779
  152    HZ1  LYS  21           3HZ      LYS  21  -5.293  -0.307  32.515
  153    HZ2  LYS  21           1HZ      LYS  21  -4.470  -0.976  31.305
  154    HZ3  LYS  21           2HZ      LYS  21  -4.912   0.575  31.159
  155    H    TYR  22           H        TYR  22  -4.080   2.141  28.604
  156    HA   TYR  22           HA       TYR  22  -4.095   2.379  25.719
  157    HD1  TYR  22           HD2      TYR  22  -1.816   4.057  29.041
  158    HD2  TYR  22           HD1      TYR  22  -0.260   3.181  25.126
  159    HE1  TYR  22           HE2      TYR  22   0.454   3.866  29.999
  160    HE2  TYR  22           HE1      TYR  22   2.024   2.992  26.068
  161    HH   TYR  22           HH       TYR  22   3.352   3.352  27.912
  162    HB2  TYR  22           2HB      TYR  22  -2.486   3.930  25.366
  163    HB3  TYR  22           3HB      TYR  22  -3.088   4.608  26.847
  164    H    VAL  23           H        VAL  23  -2.096   1.259  24.822
  165    HA   VAL  23           HA       VAL  23  -0.798  -0.581  26.731
  166    HB   VAL  23           HB       VAL  23  -2.705  -1.791  25.853
  167   HG11  VAL  23          1HG1      VAL  23  -2.927  -2.396  23.482
  168   HG12  VAL  23          2HG1      VAL  23  -3.085  -0.653  23.745
  169   HG13  VAL  23          3HG1      VAL  23  -1.578  -1.307  23.077
  170   HG21  VAL  23          3HG2      VAL  23  -0.738  -3.120  26.324
  171   HG22  VAL  23          1HG2      VAL  23  -1.596  -3.780  24.926
  172   HG23  VAL  23          2HG2      VAL  23  -0.107  -2.856  24.688
  173    H    LEU  24           H        LEU  24   1.266  -1.270  26.073
  174    HA   LEU  24           HA       LEU  24   2.590   0.407  23.984
  175    HG   LEU  24           HG       LEU  24   5.404  -0.915  24.955
  176    HB2  LEU  24           2HB      LEU  24   3.360   0.940  26.263
  177    HB3  LEU  24           3HB      LEU  24   3.584  -0.772  26.620
  178   HD11  LEU  24          1HD1      LEU  24   4.906   0.716  23.306
  179   HD12  LEU  24          2HD1      LEU  24   4.803   2.025  24.495
  180   HD13  LEU  24          3HD1      LEU  24   6.373   1.292  24.103
  181   HD21  LEU  24          3HD2      LEU  24   5.762   1.339  26.978
  182   HD22  LEU  24          1HD2      LEU  24   5.924  -0.406  27.292
  183   HD23  LEU  24          2HD2      LEU  24   7.062   0.405  26.210
  184    H    ILE  25           H        ILE  25   3.256  -0.831  22.265
  185    HA   ILE  25           HA       ILE  25   3.489  -3.788  22.651
  186    HB   ILE  25           HB       ILE  25   2.127  -2.307  20.364
  187   HG12  ILE  25          2HG1      ILE  25   0.771  -4.112  22.415
  188   HG13  ILE  25          3HG1      ILE  25   0.775  -2.354  22.534
  189   HG21  ILE  25          1HG2      ILE  25   3.236  -4.402  19.642
  190   HG22  ILE  25          2HG2      ILE  25   2.381  -5.296  20.921
  191   HG23  ILE  25          3HG2      ILE  25   1.500  -4.570  19.556
  192   HD11  ILE  25          3HD1      ILE  25  -1.310  -3.128  21.553
  193   HD12  ILE  25          1HD1      ILE  25  -0.392  -2.106  20.432
  194   HD13  ILE  25          2HD1      ILE  25  -0.447  -3.863  20.199
  195    H    ARG  26           H        ARG  26   5.215  -4.689  21.597
  196    HA   ARG  26           HA       ARG  26   7.014  -2.878  20.064
  197    HE   ARG  26           HE       ARG  26  11.762  -6.424  20.297
  198    HB2  ARG  26           2HB      ARG  26   8.027  -4.092  21.932
  199    HB3  ARG  26           3HB      ARG  26   7.458  -5.638  21.287
  200    HG2  ARG  26           2HG      ARG  26   8.958  -5.479  19.390
  201    HG3  ARG  26           3HG      ARG  26   9.367  -3.797  19.770
  202    HD2  ARG  26           2HD      ARG  26  10.375  -4.505  21.926
  203    HD3  ARG  26           3HD      ARG  26   9.928  -6.176  21.593
  204   HH11  ARG  26          1HH2      ARG  26  11.322  -2.902  20.756
  205   HH12  ARG  26          2HH2      ARG  26  12.879  -2.519  20.115
  206   HH21  ARG  26          1HH1      ARG  26  13.810  -5.879  19.449
  207   HH22  ARG  26          2HH1      ARG  26  14.318  -4.237  19.376
  208    H    VAL  27           H        VAL  27   7.120  -3.180  17.867
  209    HA   VAL  27           HA       VAL  27   5.602  -5.433  16.689
  210    HB   VAL  27           HB       VAL  27   5.763  -3.814  14.633
  211   HG11  VAL  27          1HG1      VAL  27   3.690  -4.618  15.544
  212   HG12  VAL  27          2HG1      VAL  27   3.754  -3.445  16.884
  213   HG13  VAL  27          3HG1      VAL  27   3.539  -2.892  15.204
  214   HG21  VAL  27          3HG2      VAL  27   5.726  -1.706  16.829
  215   HG22  VAL  27          1HG2      VAL  27   7.088  -2.024  15.731
  216   HG23  VAL  27          2HG2      VAL  27   5.542  -1.453  15.083
  217    H    HIS  28           H        HIS  28   6.629  -6.618  15.149
  218    HA   HIS  28           HA       HIS  28   9.558  -6.186  14.712
  219    HD1  HIS  28           HD1      HIS  28  10.885  -7.372  17.006
  220    HD2  HIS  28           HD2      HIS  28   7.085  -9.164  17.235
  221    HE1  HIS  28           HE1      HIS  28  10.472  -7.914  19.483
  222    HB2  HIS  28           2HB      HIS  28   8.021  -8.820  14.830
  223    HB3  HIS  28           3HB      HIS  28   9.762  -8.605  14.683
  224    H    SER  29           H        SER  29   9.967  -5.871  12.543
  225    HA   SER  29           HA       SER  29   7.708  -5.911  10.726
  226    HG   SER  29           HG       SER  29  11.154  -5.073  11.279
  227    HB2  SER  29           2HB      SER  29   9.318  -4.976   9.092
  228    HB3  SER  29           3HB      SER  29   9.225  -4.065  10.602
  229    H    ALA  30           H        ALA  30   7.401  -7.082   8.901
  230    HA   ALA  30           HA       ALA  30   9.303  -8.903   7.775
  231    HB1  ALA  30           3HB      ALA  30   6.779 -10.049   9.041
  232    HB2  ALA  30           1HB      ALA  30   7.855 -10.896   7.895
  233    HB3  ALA  30           2HB      ALA  30   8.467 -10.420   9.493
  234    HA   PRO  31           HA       PRO  31   6.082  -6.234   5.656
  235    HB2  PRO  31           2HB      PRO  31   8.245  -5.814   3.635
  236    HB3  PRO  31           3HB      PRO  31   7.186  -4.627   4.423
  237    HG2  PRO  31           2HG      PRO  31   9.810  -4.910   5.162
  238    HG3  PRO  31           3HG      PRO  31   8.526  -4.543   6.356
  239    HD2  PRO  31           2HD      PRO  31   9.819  -7.224   5.783
  240    HD3  PRO  31           3HD      PRO  31   9.377  -6.490   7.333
  241    H    ARG  32           H        ARG  32   4.682  -6.829   3.995
  242    HA   ARG  32           HA       ARG  32   3.591  -8.305   2.707
  243    HE   ARG  32           HE       ARG  32   5.168 -10.979   0.463
  244    HB2  ARG  32           2HB      ARG  32   5.291  -7.134   1.147
  245    HB3  ARG  32           3HB      ARG  32   6.162  -8.656   1.145
  246    HG2  ARG  32           2HG      ARG  32   3.440  -9.331   0.546
  247    HG3  ARG  32           3HG      ARG  32   3.736  -7.815  -0.293
  248    HD2  ARG  32           2HD      ARG  32   4.270  -9.608  -1.799
  249    HD3  ARG  32           3HD      ARG  32   5.797  -8.834  -1.325
  250   HH11  ARG  32          1HH2      ARG  32   6.370 -10.475  -2.842
  251   HH12  ARG  32          2HH2      ARG  32   7.206 -11.982  -2.921
  252   HH21  ARG  32          1HH1      ARG  32   6.216 -12.996   0.346
  253   HH22  ARG  32          2HH1      ARG  32   7.121 -13.452  -1.053
  254    H    SER  33           H        SER  33   5.143  -9.519   5.057
  255    HA   SER  33           HA       SER  33   5.854 -11.433   5.902
  256    HG   SER  33           HG       SER  33   2.455 -12.388   5.893
  257    HB2  SER  33           2HB      SER  33   3.791 -12.672   4.047
  258    HB3  SER  33           3HB      SER  33   4.468 -13.403   5.514
  259    H    GLY  34           H        GLY  34   7.544 -10.475   3.754
  260    HA2  GLY  34           2HA      GLY  34   9.098 -12.879   3.395
  261    HA3  GLY  34           3HA      GLY  34   8.280 -12.439   1.896
  262    H    ALA  35           H        ALA  35   8.829  -9.402   3.041
  263    HA   ALA  35           HA       ALA  35  11.091  -8.984   1.359
  264    HB1  ALA  35           3HB      ALA  35  11.042  -6.693   2.259
  265    HB2  ALA  35           1HB      ALA  35   9.392  -7.244   1.898
  266    HB3  ALA  35           2HB      ALA  35   9.991  -7.226   3.577
  267    HA   PRO  36           HA       PRO  36  14.340  -9.944   4.264
  268    HB2  PRO  36           2HB      PRO  36  16.523  -8.820   3.100
  269    HB3  PRO  36           3HB      PRO  36  15.586 -10.113   2.305
  270    HG2  PRO  36           2HG      PRO  36  15.309  -7.117   1.869
  271    HG3  PRO  36           3HG      PRO  36  15.538  -8.396   0.632
  272    HD2  PRO  36           2HD      PRO  36  13.065  -7.443   1.306
  273    HD3  PRO  36           3HD      PRO  36  13.328  -9.157   0.871
  274    H    ALA  37           H        ALA  37  12.862  -8.372   5.690
  275    HA   ALA  37           HA       ALA  37  14.743  -6.517   7.007
  276    HB1  ALA  37           3HB      ALA  37  11.883  -5.767   6.246
  277    HB2  ALA  37           1HB      ALA  37  12.953  -4.824   7.304
  278    HB3  ALA  37           2HB      ALA  37  13.366  -5.034   5.589
  279    H    ALA  38           H        ALA  38  14.552  -6.630   9.204
  280    HA   ALA  38           HA       ALA  38  12.306  -7.999  10.499
  281    HB1  ALA  38           3HB      ALA  38  15.171  -9.062  10.634
  282    HB2  ALA  38           1HB      ALA  38  13.772  -9.697  11.529
  283    HB3  ALA  38           2HB      ALA  38  13.824  -9.838   9.767
  284    H    GLU  39           H        GLU  39  13.341  -5.289  10.510
  285    HA   GLU  39           HA       GLU  39  14.738  -4.805  13.048
  286    HB2  GLU  39           2HB      GLU  39  13.251  -2.976  11.104
  287    HB3  GLU  39           3HB      GLU  39  14.089  -2.428  12.564
  288    HG2  GLU  39           2HG      GLU  39  16.222  -3.388  11.682
  289    HG3  GLU  39           3HG      GLU  39  15.392  -3.828  10.189
  290    H    SER  40           H        SER  40  13.539  -3.410  14.737
  291    HA   SER  40           HA       SER  40  10.646  -3.965  14.915
  292    HG   SER  40           HG       SER  40  12.790  -6.115  15.574
  293    HB2  SER  40           2HB      SER  40  12.570  -4.497  17.194
  294    HB3  SER  40           3HB      SER  40  10.838  -4.806  17.189
  295    H    LYS  41           H        LYS  41   9.628  -2.615  16.598
  296    HA   LYS  41           HA       LYS  41  11.155  -0.577  17.932
  297    HB2  LYS  41           2HB      LYS  41  10.213   1.396  17.066
  298    HB3  LYS  41           3HB      LYS  41  10.827   0.530  15.671
  299    HG2  LYS  41           2HG      LYS  41   8.586  -0.085  14.965
  300    HG3  LYS  41           3HG      LYS  41   7.880   0.451  16.491
  301    HD2  LYS  41           2HD      LYS  41   8.674   2.786  16.003
  302    HD3  LYS  41           3HD      LYS  41   9.142   2.236  14.382
  303    HE2  LYS  41           2HE      LYS  41   6.784   1.555  13.952
  304    HE3  LYS  41           3HE      LYS  41   6.352   2.042  15.606
  305    HZ1  LYS  41           3HZ      LYS  41   7.321   3.824  13.473
  306    HZ2  LYS  41           1HZ      LYS  41   5.802   3.761  13.977
  307    HZ3  LYS  41           2HZ      LYS  41   6.980   4.309  15.036
  308    H    GLU  42           H        GLU  42   9.444   0.921  19.157
  309    HA   GLU  42           HA       GLU  42   7.215  -0.813  20.114
  310    HB2  GLU  42           2HB      GLU  42   8.656   1.582  21.316
  311    HB3  GLU  42           3HB      GLU  42   7.054   1.093  21.849
  312    HG2  GLU  42           2HG      GLU  42   8.588   0.092  23.354
  313    HG3  GLU  42           3HG      GLU  42   7.880  -1.179  22.369
  314    H    ILE  43           H        ILE  43   5.130   0.136  20.299
  315    HA   ILE  43           HA       ILE  43   4.639   2.769  19.051
  316    HB   ILE  43           HB       ILE  43   2.529   1.822  18.061
  317   HG12  ILE  43          2HG1      ILE  43   3.877  -0.895  18.344
  318   HG13  ILE  43          3HG1      ILE  43   2.506  -0.339  19.309
  319   HG21  ILE  43          1HG2      ILE  43   3.583   1.175  15.984
  320   HG22  ILE  43          2HG2      ILE  43   4.548   2.436  16.750
  321   HG23  ILE  43          3HG2      ILE  43   5.086   0.741  16.828
  322   HD11  ILE  43          3HD1      ILE  43   1.737  -1.794  17.543
  323   HD12  ILE  43          1HD1      ILE  43   1.128  -0.153  17.261
  324   HD13  ILE  43          2HD1      ILE  43   2.485  -0.787  16.297
  325    H    VAL  44           H        VAL  44   2.930   3.881  20.001
  326    HA   VAL  44           HA       VAL  44   1.895   2.752  22.579
  327    HB   VAL  44           HB       VAL  44   2.148   5.644  21.641
  328   HG11  VAL  44          1HG1      VAL  44   1.668   6.291  23.921
  329   HG12  VAL  44          2HG1      VAL  44   0.358   5.239  23.379
  330   HG13  VAL  44          3HG1      VAL  44   1.627   4.611  24.455
  331   HG21  VAL  44          3HG2      VAL  44   3.976   5.870  23.288
  332   HG22  VAL  44          1HG2      VAL  44   3.908   4.120  23.606
  333   HG23  VAL  44          2HG2      VAL  44   4.403   4.731  22.010
  334    H    ARG  45           H        ARG  45  -0.282   2.245  22.579
  335    HA   ARG  45           HA       ARG  45  -2.022   3.352  20.401
  336    HE   ARG  45           HE       ARG  45  -0.816   3.361  18.805
  337    HB2  ARG  45           2HB      ARG  45  -1.834   0.491  21.448
  338    HB3  ARG  45           3HB      ARG  45  -3.032   1.075  20.297
  339    HG2  ARG  45           2HG      ARG  45  -0.035   0.969  19.725
  340    HG3  ARG  45           3HG      ARG  45  -1.181  -0.287  19.332
  341    HD2  ARG  45           2HD      ARG  45  -1.153   0.785  17.330
  342    HD3  ARG  45           3HD      ARG  45  -2.512   1.627  18.082
  343   HH11  ARG  45          1HH2      ARG  45  -0.281   1.627  15.713
  344   HH12  ARG  45          2HH2      ARG  45   1.121   2.591  15.341
  345   HH21  ARG  45          1HH1      ARG  45   0.991   4.468  18.294
  346   HH22  ARG  45          2HH1      ARG  45   1.788   4.243  16.742
  347    H    GLY  46           H        GLY  46  -3.988   4.022  21.103
  348    HA2  GLY  46           2HA      GLY  46  -5.136   3.183  23.696
  349    HA3  GLY  46           3HA      GLY  46  -4.528   4.838  23.579
  350    H    TYR  47           H        TYR  47  -6.247   2.690  21.241
  351    HA   TYR  47           HA       TYR  47  -7.630   4.883  20.054
  352    HD1  TYR  47           HD2      TYR  47  -6.977   4.650  17.621
  353    HD2  TYR  47           HD1      TYR  47  -6.497   0.629  19.093
  354    HE1  TYR  47           HE2      TYR  47  -5.249   4.230  15.901
  355    HE2  TYR  47           HE1      TYR  47  -4.743   0.210  17.401
  356    HH   TYR  47           HH       TYR  47  -3.580   1.078  15.558
  357    HB2  TYR  47           2HB      TYR  47  -8.257   1.910  19.906
  358    HB3  TYR  47           3HB      TYR  47  -8.867   3.173  18.850
  359    H    LYS  48           H        LYS  48  -9.470   5.873  20.661
  360    HA   LYS  48           HA       LYS  48 -10.609   5.430  23.131
  361    HB2  LYS  48           2HB      LYS  48 -10.652   7.474  21.442
  362    HB3  LYS  48           3HB      LYS  48 -12.163   6.781  20.896
  363    HG2  LYS  48           2HG      LYS  48 -12.517   8.558  22.516
  364    HG3  LYS  48           3HG      LYS  48 -13.120   7.037  23.161
  365    HD2  LYS  48           2HD      LYS  48 -11.429   6.859  24.756
  366    HD3  LYS  48           3HD      LYS  48 -10.292   7.884  23.879
  367    HE2  LYS  48           2HE      LYS  48 -12.888   8.970  25.029
  368    HE3  LYS  48           3HE      LYS  48 -11.421   8.844  26.010
  369    HZ1  LYS  48           3HZ      LYS  48 -10.296  10.342  24.561
  370    HZ2  LYS  48           1HZ      LYS  48 -11.431  10.309  23.425
  371    HZ3  LYS  48           2HZ      LYS  48 -11.751  11.037  24.873
  372    H    TRP  49           H        TRP  49 -11.673   3.982  20.072
  373    HA   TRP  49           HA       TRP  49 -14.291   3.261  20.995
  374    HD1  TRP  49           HD1      TRP  49 -12.022   4.019  17.185
  375    HE1  TRP  49           HE1      TRP  49  -9.883   2.889  16.358
  376    HE3  TRP  49           HE3      TRP  49 -12.438  -0.476  19.641
  377    HZ2  TRP  49           HZ2      TRP  49  -8.382   0.524  16.943
  378    HZ3  TRP  49           HZ3      TRP  49 -10.533  -2.052  19.654
  379    HH2  TRP  49           HH2      TRP  49  -8.465  -1.523  18.382
  380    HB2  TRP  49           2HB      TRP  49 -14.257   1.736  18.992
  381    HB3  TRP  49           3HB      TRP  49 -13.986   3.435  18.673
  382    H    ALA  50           H        ALA  50 -11.168   1.893  21.781
  383    HA   ALA  50           HA       ALA  50 -11.842  -0.826  21.759
  384    HB1  ALA  50           3HB      ALA  50  -9.551  -0.056  21.831
  385    HB2  ALA  50           1HB      ALA  50  -9.797   0.653  23.452
  386    HB3  ALA  50           2HB      ALA  50  -9.883  -1.100  23.227
  387    H    GLU  51           H        GLU  51 -12.845  -2.161  23.084
  388    HA   GLU  51           HA       GLU  51 -14.314  -1.234  25.393
  389    HB2  GLU  51           2HB      GLU  51 -13.586  -4.046  24.456
  390    HB3  GLU  51           3HB      GLU  51 -14.673  -3.685  25.807
  391    HG2  GLU  51           2HG      GLU  51 -16.145  -2.390  24.259
  392    HG3  GLU  51           3HG      GLU  51 -15.120  -2.866  22.906
  393    H    TYR  52           H        TYR  52 -11.148  -2.768  24.957
  394    HA   TYR  52           HA       TYR  52 -10.288  -2.175  27.692
  395    HD1  TYR  52           HD1      TYR  52 -10.974  -3.634  30.028
  396    HD2  TYR  52           HD2      TYR  52 -12.718  -5.618  26.615
  397    HE1  TYR  52           HE1      TYR  52 -13.029  -4.055  31.334
  398    HE2  TYR  52           HE2      TYR  52 -14.784  -6.041  27.913
  399    HH   TYR  52           HH       TYR  52 -15.169  -4.978  31.322
  400    HB2  TYR  52           2HB      TYR  52 -10.389  -5.036  26.606
  401    HB3  TYR  52           3HB      TYR  52  -9.591  -4.546  28.087
  402    H    HIS  53           H        HIS  53  -7.915  -2.875  27.891
  403    HA   HIS  53           HA       HIS  53  -6.254  -2.144  25.703
  404    HD2  HIS  53           HD2      HIS  53  -4.928  -5.873  28.011
  405    HE1  HIS  53           HE1      HIS  53  -7.656  -4.930  31.141
  406    HE2  HIS  53           HE2      HIS  53  -6.295  -6.782  30.053
  407    HB2  HIS  53           2HB      HIS  53  -4.485  -3.301  27.128
  408    HB3  HIS  53           3HB      HIS  53  -5.399  -2.028  27.927
  409    H    ALA  54           H        ALA  54  -7.647  -5.291  26.649
  410    HA   ALA  54           HA       ALA  54  -6.148  -6.936  24.871
  411    HB1  ALA  54           3HB      ALA  54  -7.546  -7.818  26.704
  412    HB2  ALA  54           1HB      ALA  54  -9.014  -7.245  25.868
  413    HB3  ALA  54           2HB      ALA  54  -8.010  -8.515  25.140
  414    H    ASP  55           H        ASP  55  -8.966  -4.804  24.317
  415    HA   ASP  55           HA       ASP  55  -9.679  -5.949  21.756
  416    HB2  ASP  55           2HB      ASP  55 -11.134  -4.550  23.403
  417    HB3  ASP  55           3HB      ASP  55 -10.280  -3.160  22.784
  418    H    ILE  56           H        ILE  56  -7.704  -3.215  22.941
  419    HA   ILE  56           HA       ILE  56  -6.941  -2.179  20.389
  420    HB   ILE  56           HB       ILE  56  -5.323  -2.149  22.984
  421   HG12  ILE  56          2HG1      ILE  56  -7.261  -0.042  21.960
  422   HG13  ILE  56          3HG1      ILE  56  -7.569  -1.157  23.303
  423   HG21  ILE  56          1HG2      ILE  56  -5.148  -0.489  20.431
  424   HG22  ILE  56          2HG2      ILE  56  -4.264  -0.115  21.916
  425   HG23  ILE  56          3HG2      ILE  56  -3.930  -1.610  21.063
  426   HD11  ILE  56          3HD1      ILE  56  -6.973   0.946  24.241
  427   HD12  ILE  56          1HD1      ILE  56  -5.635  -0.183  24.541
  428   HD13  ILE  56          2HD1      ILE  56  -5.502   1.051  23.268
  429    H    TYR  57           H        TYR  57  -5.229  -4.491  22.607
  430    HA   TYR  57           HA       TYR  57  -3.050  -4.876  20.901
  431    HD1  TYR  57           HD2      TYR  57  -1.001  -5.740  21.310
  432    HD2  TYR  57           HD1      TYR  57  -3.201  -8.822  23.369
  433    HE1  TYR  57           HE2      TYR  57   0.922  -7.267  21.062
  434    HE2  TYR  57           HE1      TYR  57  -1.276 -10.355  23.132
  435    HH   TYR  57           HH       TYR  57   0.915 -10.615  22.329
  436    HB2  TYR  57           2HB      TYR  57  -3.122  -5.481  23.287
  437    HB3  TYR  57           3HB      TYR  57  -4.265  -6.776  22.932
  438    H    ASP  58           H        ASP  58  -6.140  -6.723  21.039
  439    HA   ASP  58           HA       ASP  58  -5.422  -8.666  19.095
  440    HB2  ASP  58           2HB      ASP  58  -7.354  -8.941  20.551
  441    HB3  ASP  58           3HB      ASP  58  -8.137  -7.524  19.842
  442    H    LYS  59           H        LYS  59  -7.080  -5.458  18.717
  443    HA   LYS  59           HA       LYS  59  -7.481  -5.760  15.902
  444    HB2  LYS  59           2HB      LYS  59  -8.661  -4.115  17.426
  445    HB3  LYS  59           3HB      LYS  59  -7.162  -3.184  17.490
  446    HG2  LYS  59           2HG      LYS  59  -8.567  -2.145  15.866
  447    HG3  LYS  59           3HG      LYS  59  -7.280  -2.951  14.969
  448    HD2  LYS  59           2HD      LYS  59  -8.808  -4.807  14.397
  449    HD3  LYS  59           3HD      LYS  59 -10.088  -4.071  15.392
  450    HE2  LYS  59           2HE      LYS  59 -10.038  -2.053  13.938
  451    HE3  LYS  59           3HE      LYS  59  -8.773  -2.796  12.948
  452    HZ1  LYS  59           3HZ      LYS  59 -10.960  -3.077  11.962
  453    HZ2  LYS  59           1HZ      LYS  59 -10.355  -4.544  12.361
  454    HZ3  LYS  59           2HZ      LYS  59 -11.521  -3.856  13.286
  455    H    VAL  60           H        VAL  60  -4.846  -4.236  17.797
  456    HA   VAL  60           HA       VAL  60  -3.368  -3.285  15.553
  457    HB   VAL  60           HB       VAL  60  -2.551  -4.013  18.398
  458   HG11  VAL  60          1HG1      VAL  60  -0.552  -2.554  18.005
  459   HG12  VAL  60          2HG1      VAL  60  -0.506  -4.036  17.050
  460   HG13  VAL  60          3HG1      VAL  60  -0.952  -2.503  16.275
  461   HG21  VAL  60          3HG2      VAL  60  -2.896  -1.254  17.152
  462   HG22  VAL  60          1HG2      VAL  60  -4.224  -2.079  17.979
  463   HG23  VAL  60          2HG2      VAL  60  -2.768  -1.695  18.875
  464    H    SER  61           H        SER  61  -3.220  -6.448  17.352
  465    HA   SER  61           HA       SER  61  -1.054  -7.485  15.828
  466    HG   SER  61           HG       SER  61  -2.342  -7.773  18.672
  467    HB2  SER  61           2HB      SER  61  -3.361  -8.983  17.140
  468    HB3  SER  61           3HB      SER  61  -1.804  -9.669  16.633
  469    H    GLY  62           H        GLY  62  -4.600  -7.488  15.157
  470    HA2  GLY  62           2HA      GLY  62  -4.458  -9.112  12.801
  471    HA3  GLY  62           3HA      GLY  62  -5.724  -7.939  13.212
  472    H    ASP  63           H        ASP  63  -4.502  -5.508  13.226
  473    HA   ASP  63           HA       ASP  63  -4.323  -4.936  10.458
  474    HB2  ASP  63           2HB      ASP  63  -5.040  -3.308  12.199
  475    HB3  ASP  63           3HB      ASP  63  -3.373  -3.204  12.773
  476    H    MET  64           H        MET  64  -1.728  -5.254  12.943
  477    HA   MET  64           HA       MET  64   0.381  -4.455  11.236
  478    HB2  MET  64           2HB      MET  64   0.296  -6.173  13.747
  479    HB3  MET  64           3HB      MET  64   1.791  -5.828  12.903
  480    HG2  MET  64           2HG      MET  64  -0.104  -3.742  14.036
  481    HG3  MET  64           3HG      MET  64   1.429  -4.227  14.737
  482    HE1  MET  64           3HE      MET  64   0.342  -1.174  13.899
  483    HE2  MET  64           1HE      MET  64   0.768  -0.699  12.237
  484    HE3  MET  64           2HE      MET  64  -0.464  -1.947  12.509
  485    H    GLN  65           H        GLN  65  -1.125  -7.712  11.724
  486    HA   GLN  65           HA       GLN  65   0.801  -9.049  10.076
  487    HB2  GLN  65           2HB      GLN  65  -2.068  -9.641  10.866
  488    HB3  GLN  65           3HB      GLN  65  -1.161 -10.692   9.770
  489    HG2  GLN  65           2HG      GLN  65   0.577 -11.076  11.408
  490    HG3  GLN  65           3HG      GLN  65  -0.102  -9.878  12.506
  491   HE21  GLN  65          2HE2      GLN  65  -2.165 -10.316  13.517
  492   HE22  GLN  65          1HE2      GLN  65  -2.720 -11.974  13.751
  493    H    LYS  66           H        LYS  66  -2.172  -7.189   9.256
  494    HA   LYS  66           HA       LYS  66  -2.007  -7.805   6.455
  495    HB2  LYS  66           2HB      LYS  66  -3.268  -5.380   7.810
  496    HB3  LYS  66           3HB      LYS  66  -3.446  -5.828   6.117
  497    HG2  LYS  66           2HG      LYS  66  -4.540  -7.944   6.741
  498    HG3  LYS  66           3HG      LYS  66  -4.296  -7.593   8.453
  499    HD2  LYS  66           2HD      LYS  66  -6.578  -7.112   7.880
  500    HD3  LYS  66           3HD      LYS  66  -5.749  -5.600   8.279
  501    HE2  LYS  66           2HE      LYS  66  -5.494  -5.088   5.869
  502    HE3  LYS  66           3HE      LYS  66  -6.243  -6.635   5.447
  503    HZ1  LYS  66           3HZ      LYS  66  -7.592  -4.420   6.883
  504    HZ2  LYS  66           1HZ      LYS  66  -7.820  -4.818   5.317
  505    HZ3  LYS  66           2HZ      LYS  66  -8.288  -5.855   6.487
  506    H    GLN  67           H        GLN  67  -0.374  -5.365   8.476
  507    HA   GLN  67           HA       GLN  67   0.713  -3.920   6.217
  508    HB2  GLN  67           2HB      GLN  67   1.892  -4.079   9.027
  509    HB3  GLN  67           3HB      GLN  67   2.267  -2.898   7.793
  510    HG2  GLN  67           2HG      GLN  67  -0.272  -3.134   9.404
  511    HG3  GLN  67           3HG      GLN  67   0.917  -1.852   9.445
  512   HE21  GLN  67          2HE2      GLN  67  -1.953  -1.577   9.073
  513   HE22  GLN  67          1HE2      GLN  67  -2.179  -0.831   7.499
  514    H    GLY  68           H        GLY  68   1.808  -6.587   8.251
  515    HA2  GLY  68           2HA      GLY  68   3.342  -8.311   7.417
  516    HA3  GLY  68           3HA      GLY  68   4.204  -7.056   6.510
  517    H    CYS  69           H        CYS  69   2.898  -7.299   9.885
  518    HA   CYS  69           HA       CYS  69   5.592  -7.279  11.012
  519    HG   CYS  69           HG       CYS  69   5.292  -4.929   9.613
  520    HB2  CYS  69           2HB      CYS  69   3.400  -5.239  11.631
  521    HB3  CYS  69           3HB      CYS  69   4.697  -5.606  12.772
  522    H    ASP  70           H        ASP  70   5.419  -7.920  13.331
  523    HA   ASP  70           HA       ASP  70   2.900  -9.302  14.118
  524    HB2  ASP  70           2HB      ASP  70   4.528 -11.006  13.365
  525    HB3  ASP  70           3HB      ASP  70   5.737 -10.337  14.473
  526    H    CYS  71           H        CYS  71   2.893  -9.535  16.593
  527    HA   CYS  71           HA       CYS  71   4.044  -7.036  17.775
  528    HG   CYS  71           HG       CYS  71   0.208  -6.102  16.963
  529    HB2  CYS  71           2HB      CYS  71   1.245  -8.211  18.017
  530    HB3  CYS  71           3HB      CYS  71   1.831  -6.797  18.897
  531    H    GLU  72           H        GLU  72   4.403  -7.005  19.976
  532    HA   GLU  72           HA       GLU  72   3.628  -9.285  21.693
  533    HB2  GLU  72           2HB      GLU  72   6.434  -8.099  21.413
  534    HB3  GLU  72           3HB      GLU  72   5.910  -8.990  22.834
  535    HG2  GLU  72           2HG      GLU  72   6.079 -10.092  20.001
  536    HG3  GLU  72           3HG      GLU  72   7.223 -10.379  21.302
  537    H    CYS  73           H        CYS  73   2.378  -8.277  23.245
  538    HA   CYS  73           HA       CYS  73   2.499  -5.443  23.812
  539    HG   CYS  73           HG       CYS  73  -0.068  -8.436  25.973
  540    HB2  CYS  73           2HB      CYS  73   1.157  -6.157  25.856
  541    HB3  CYS  73           3HB      CYS  73   0.443  -6.517  24.281
  542    H    LEU  74           H        LEU  74   3.865  -4.362  25.147
  543    HA   LEU  74           HA       LEU  74   5.877  -5.912  26.713
  544    HG   LEU  74           HG       LEU  74   6.371  -3.926  24.114
  545    HB2  LEU  74           2HB      LEU  74   5.649  -2.920  26.201
  546    HB3  LEU  74           3HB      LEU  74   6.931  -3.726  27.096
  547   HD11  LEU  74          1HD1      LEU  74   7.571  -1.905  24.879
  548   HD12  LEU  74          2HD1      LEU  74   8.772  -2.914  25.709
  549   HD13  LEU  74          3HD1      LEU  74   8.641  -2.954  23.942
  550   HD21  LEU  74          3HD2      LEU  74   8.426  -5.370  24.002
  551   HD22  LEU  74          1HD2      LEU  74   8.389  -5.506  25.772
  552   HD23  LEU  74          2HD2      LEU  74   7.061  -6.162  24.782
  553    H    GLY  75           H        GLY  75   2.945  -4.007  27.051
  554    HA2  GLY  75           2HA      GLY  75   2.153  -4.770  29.546
  555    HA3  GLY  75           3HA      GLY  75   3.245  -3.428  29.871
  556    H    GLY  76           H        GLY  76   0.780  -2.794  30.615
  557    HA2  GLY  76           2HA      GLY  76   0.110  -0.714  28.642
  558    HA3  GLY  76           3HA      GLY  76  -1.207  -1.802  29.069
  559    H    GLY  77           H        GLY  77  -1.853   0.603  29.682
  560    HA2  GLY  77           2HA      GLY  77  -1.732   1.004  32.539
  561    HA3  GLY  77           3HA      GLY  77  -0.643   2.086  31.657
  562    H    ARG  78           H        ARG  78  -1.870   3.939  32.152
  563    HA   ARG  78           HA       ARG  78  -4.036   4.418  30.290
  564    HE   ARG  78           HE       ARG  78  -4.953   2.823  35.519
  565    HB2  ARG  78           2HB      ARG  78  -5.656   5.224  31.900
  566    HB3  ARG  78           3HB      ARG  78  -5.228   3.569  32.314
  567    HG2  ARG  78           2HG      ARG  78  -3.569   4.603  34.028
  568    HG3  ARG  78           3HG      ARG  78  -4.384   6.135  33.693
  569    HD2  ARG  78           2HD      ARG  78  -5.368   5.180  35.666
  570    HD3  ARG  78           3HD      ARG  78  -6.556   5.108  34.377
  571   HH11  ARG  78          1HH2      ARG  78  -7.879   3.856  33.756
  572   HH12  ARG  78          2HH2      ARG  78  -8.596   2.286  33.825
  573   HH21  ARG  78          1HH1      ARG  78  -5.844   0.894  35.627
  574   HH22  ARG  78          2HH1      ARG  78  -7.399   0.505  34.931
  575    H    ILE  79           H        ILE  79  -4.629   6.732  30.293
  576    HA   ILE  79           HA       ILE  79  -2.319   8.488  30.902
  577    HB   ILE  79           HB       ILE  79  -3.812   8.249  28.251
  578   HG12  ILE  79          2HG1      ILE  79  -1.007   7.336  28.978
  579   HG13  ILE  79          3HG1      ILE  79  -2.361   6.335  28.471
  580   HG21  ILE  79          1HG2      ILE  79  -2.161   9.913  27.411
  581   HG22  ILE  79          2HG2      ILE  79  -3.085  10.571  28.741
  582   HG23  ILE  79          3HG2      ILE  79  -1.434   9.997  29.029
  583   HD11  ILE  79          3HD1      ILE  79  -0.831   8.266  26.709
  584   HD12  ILE  79          1HD1      ILE  79  -0.834   6.504  26.646
  585   HD13  ILE  79          2HD1      ILE  79  -2.310   7.394  26.223
  586    H    SER  80           H        SER  80  -3.055  10.689  31.247
  587    HA   SER  80           HA       SER  80  -5.922  11.258  30.993
  588    HG   SER  80           HG       SER  80  -5.831   9.468  32.502
  589    HB2  SER  80           2HB      SER  80  -4.492  11.485  33.680
  590    HB3  SER  80           3HB      SER  80  -6.158  11.979  33.330
  591    H    HIS  81           H        HIS  81  -6.363  13.539  31.350
  592    HA   HIS  81           HA       HIS  81  -4.213  15.499  31.186
  593    HD1  HIS  81           HD1      HIS  81  -7.202  16.639  27.892
  594    HD2  HIS  81           HD2      HIS  81  -3.182  17.377  28.938
  595    HE1  HIS  81           HE1      HIS  81  -6.641  18.970  27.012
  596    HB2  HIS  81           2HB      HIS  81  -4.204  14.705  28.893
  597    HB3  HIS  81           3HB      HIS  81  -5.958  14.612  28.849
  598    H    GLN  82           H        GLN  82  -5.064  17.222  32.227
  599    HA   GLN  82           HA       GLN  82  -6.387  18.540  33.393
  600    HB2  GLN  82           2HB      GLN  82  -8.757  17.870  31.629
  601    HB3  GLN  82           3HB      GLN  82  -8.534  19.271  32.670
  602    HG2  GLN  82           2HG      GLN  82  -7.129  18.641  30.073
  603    HG3  GLN  82           3HG      GLN  82  -8.177  20.003  30.417
  604   HE21  GLN  82          2HE2      GLN  82  -5.120  19.563  29.603
  605   HE22  GLN  82          1HE2      GLN  82  -4.261  20.595  30.723
  606    H    SER  83           H        SER  83  -8.458  18.579  34.770
  607    HA   SER  83           HA       SER  83  -9.521  17.827  36.561
  608    HG   SER  83           HG       SER  83 -11.644  16.071  34.356
  609    HB2  SER  83           2HB      SER  83  -9.624  15.209  35.044
  610    HB3  SER  83           3HB      SER  83 -10.673  15.673  36.398
  611    H    GLN  84           H        GLN  84  -6.652  16.002  35.795
  612    HA   GLN  84           HA       GLN  84  -6.180  15.441  38.693
  613    HB2  GLN  84           2HB      GLN  84  -5.723  13.680  36.244
  614    HB3  GLN  84           3HB      GLN  84  -4.938  13.390  37.798
  615    HG2  GLN  84           2HG      GLN  84  -7.046  12.995  38.905
  616    HG3  GLN  84           3HG      GLN  84  -7.963  13.512  37.484
  617   HE21  GLN  84          2HE2      GLN  84  -5.257  11.123  38.108
  618   HE22  GLN  84          1HE2      GLN  84  -5.981   9.880  37.115
  619    H    ASP  85           H        ASP  85  -4.871  16.393  35.485
  620    HA   ASP  85           HA       ASP  85  -2.577  17.656  36.786
  621    HB2  ASP  85           2HB      ASP  85  -1.905  15.258  36.257
  622    HB3  ASP  85           3HB      ASP  85  -2.187  15.609  34.556
  623    H    LYS  86           H        LYS  86  -1.929  19.438  35.509
  624    HA   LYS  86           HA       LYS  86  -3.904  20.397  33.608
  625    HB2  LYS  86           2HB      LYS  86  -2.598  22.435  33.559
  626    HB3  LYS  86           3HB      LYS  86  -2.843  21.902  35.221
  627    HG2  LYS  86           2HG      LYS  86  -0.505  20.973  35.246
  628    HG3  LYS  86           3HG      LYS  86  -0.296  21.516  33.577
  629    HD2  LYS  86           2HD      LYS  86   0.773  23.091  35.030
  630    HD3  LYS  86           3HD      LYS  86  -0.636  23.868  34.293
  631    HE2  LYS  86           2HE      LYS  86  -1.937  23.478  36.379
  632    HE3  LYS  86           3HE      LYS  86  -0.547  22.655  37.099
  633    HZ1  LYS  86           3HZ      LYS  86  -0.609  25.506  36.287
  634    HZ2  LYS  86           1HZ      LYS  86  -0.692  24.952  37.821
  635    HZ3  LYS  86           2HZ      LYS  86   0.679  24.744  36.959
  636    H    LYS  87           H        LYS  87  -1.151  18.385  33.221
  637    HA   LYS  87           HA       LYS  87  -1.324  18.740  30.288
  638    HB2  LYS  87           2HB      LYS  87   1.210  18.391  30.183
  639    HB3  LYS  87           3HB      LYS  87   0.582  19.979  30.564
  640    HG2  LYS  87           2HG      LYS  87   2.481  19.637  31.934
  641    HG3  LYS  87           3HG      LYS  87   1.077  19.626  32.972
  642    HD2  LYS  87           2HD      LYS  87   1.181  17.103  33.003
  643    HD3  LYS  87           3HD      LYS  87   2.674  17.186  32.054
  644    HE2  LYS  87           2HE      LYS  87   3.843  18.341  33.795
  645    HE3  LYS  87           3HE      LYS  87   2.333  18.799  34.604
  646    HZ1  LYS  87           3HZ      LYS  87   3.469  17.007  35.761
  647    HZ2  LYS  87           1HZ      LYS  87   1.970  16.562  35.250
  648    HZ3  LYS  87           2HZ      LYS  87   3.284  16.019  34.447
  649    H    ILE  88           H        ILE  88  -0.185  16.770  29.198
  650    HA   ILE  88           HA       ILE  88  -1.641  14.525  30.080
  651    HB   ILE  88           HB       ILE  88   0.736  14.661  28.187
  652   HG12  ILE  88          2HG1      ILE  88  -2.278  14.370  27.726
  653   HG13  ILE  88          3HG1      ILE  88  -1.362  15.851  27.496
  654   HG21  ILE  88          1HG2      ILE  88   0.556  12.339  29.104
  655   HG22  ILE  88          2HG2      ILE  88  -1.170  12.328  28.686
  656   HG23  ILE  88          3HG2      ILE  88   0.079  12.382  27.423
  657   HD11  ILE  88          3HD1      ILE  88  -1.689  14.922  25.336
  658   HD12  ILE  88          1HD1      ILE  88   0.015  14.607  25.742
  659   HD13  ILE  88          2HD1      ILE  88  -1.197  13.306  25.846
  660    H    HIS  89           H        HIS  89  -1.282  12.840  31.377
  661    HA   HIS  89           HA       HIS  89   1.412  12.364  32.487
  662    HD1  HIS  89           HD1      HIS  89  -0.174  10.119  35.509
  663    HD2  HIS  89           HD2      HIS  89   2.363  13.462  35.289
  664    HE1  HIS  89           HE1      HIS  89   1.797   9.635  37.042
  665    HB2  HIS  89           2HB      HIS  89  -0.020  13.694  34.106
  666    HB3  HIS  89           3HB      HIS  89  -1.129  12.319  34.160
  667    H    VAL  90           H        VAL  90   1.788  10.145  32.887
  668    HA   VAL  90           HA       VAL  90  -0.217   8.203  31.836
  669    HB   VAL  90           HB       VAL  90   2.793   8.287  31.365
  670   HG11  VAL  90          1HG1      VAL  90   1.928   6.003  31.414
  671   HG12  VAL  90          2HG1      VAL  90   0.670   6.419  30.240
  672   HG13  VAL  90          3HG1      VAL  90   2.385   6.446  29.766
  673   HG21  VAL  90          3HG2      VAL  90   2.186   8.685  28.960
  674   HG22  VAL  90          1HG2      VAL  90   0.511   8.953  29.468
  675   HG23  VAL  90          2HG2      VAL  90   1.798  10.043  30.018
  676    H    TYR  91           H        TYR  91  -0.332   6.250  33.000
  677    HA   TYR  91           HA       TYR  91   1.391   5.526  35.178
  678    HD1  TYR  91           HD1      TYR  91  -1.243   8.532  34.361
  679    HD2  TYR  91           HD2      TYR  91  -2.397   5.894  37.580
  680    HE1  TYR  91           HE1      TYR  91  -3.534   9.335  34.177
  681    HE2  TYR  91           HE2      TYR  91  -4.713   6.750  37.438
  682    HH   TYR  91           HH       TYR  91  -5.716   9.096  34.894
  683    HB2  TYR  91           2HB      TYR  91  -0.114   6.067  37.021
  684    HB3  TYR  91           3HB      TYR  91   0.423   7.520  36.242
  685    H    GLY  92           H        GLY  92  -0.437   3.995  36.686
  686    HA2  GLY  92           2HA      GLY  92  -2.272   2.597  36.599
  687    HA3  GLY  92           3HA      GLY  92  -2.454   2.866  34.884
  688    H    TYR  93           H        TYR  93  -2.852   0.441  35.220
  689    HA   TYR  93           HA       TYR  93  -0.524  -0.786  33.979
  690    HD1  TYR  93           HD2      TYR  93  -3.610  -1.299  36.348
  691    HD2  TYR  93           HD1      TYR  93  -0.661  -4.427  36.744
  692    HE1  TYR  93           HE2      TYR  93  -5.244  -2.680  37.561
  693    HE2  TYR  93           HE1      TYR  93  -2.291  -5.810  37.975
  694    HH   TYR  93           HH       TYR  93  -4.451  -5.928  38.861
  695    HB2  TYR  93           2HB      TYR  93  -0.243  -2.618  35.286
  696    HB3  TYR  93           3HB      TYR  93  -0.407  -1.351  36.476
  697    H    SER  94           H        SER  94  -1.233  -3.063  33.116
  698    HA   SER  94           HA       SER  94  -4.156  -3.288  32.634
  699    HG   SER  94           HG       SER  94  -3.302  -2.076  29.458
  700    HB2  SER  94           2HB      SER  94  -1.947  -3.634  30.559
  701    HB3  SER  94           3HB      SER  94  -3.634  -4.137  30.353
  702    H    MET  95           H        MET  95  -4.516  -4.979  33.967
  703    HA   MET  95           HA       MET  95  -2.629  -6.612  35.088
  704    HB2  MET  95           2HB      MET  95  -4.986  -6.173  35.843
  705    HB3  MET  95           3HB      MET  95  -5.557  -7.328  34.633
  706    HG2  MET  95           2HG      MET  95  -4.272  -9.126  35.739
  707    HG3  MET  95           3HG      MET  95  -3.632  -7.962  36.907
  708    HE1  MET  95           3HE      MET  95  -4.983 -10.729  37.699
  709    HE2  MET  95           1HE      MET  95  -4.343  -9.562  38.880
  710    HE3  MET  95           2HE      MET  95  -5.981 -10.223  39.079
  711    H    ALA  96           H        ALA  96  -4.216  -7.166  31.978
  712    HA   ALA  96           HA       ALA  96  -3.687  -9.931  31.680
  713    HB1  ALA  96           3HB      ALA  96  -3.966  -9.495  29.266
  714    HB2  ALA  96           1HB      ALA  96  -5.220  -8.679  30.214
  715    HB3  ALA  96           2HB      ALA  96  -3.842  -7.751  29.553
  716    H    TYR  97           H        TYR  97  -1.462  -7.195  31.510
  717    HA   TYR  97           HA       TYR  97   0.646  -8.954  30.313
  718    HD1  TYR  97           HD1      TYR  97  -0.625  -9.156  28.151
  719    HD2  TYR  97           HD2      TYR  97  -0.937  -4.860  28.456
  720    HE1  TYR  97           HE1      TYR  97  -2.462  -9.167  26.486
  721    HE2  TYR  97           HE2      TYR  97  -2.748  -4.865  26.784
  722    HH   TYR  97           HH       TYR  97  -4.075  -6.153  25.392
  723    HB2  TYR  97           2HB      TYR  97   0.437  -5.975  29.906
  724    HB3  TYR  97           3HB      TYR  97   1.396  -7.131  28.991
  725    H    GLY  98           H        GLY  98   0.047  -5.931  32.177
  726    HA2  GLY  98           2HA      GLY  98   1.151  -5.943  34.486
  727    HA3  GLY  98           3HA      GLY  98   2.654  -6.160  33.564
  728    HA   PRO  99           HA       PRO  99   1.601  -1.509  33.732
  729    HB2  PRO  99           2HB      PRO  99   4.393  -1.586  34.857
  730    HB3  PRO  99           3HB      PRO  99   3.038  -0.497  35.279
  731    HG2  PRO  99           2HG      PRO  99   3.736  -2.555  36.919
  732    HG3  PRO  99           3HG      PRO  99   2.010  -2.165  36.629
  733    HD2  PRO  99           2HD      PRO  99   3.686  -4.341  35.352
  734    HD3  PRO  99           3HD      PRO  99   2.012  -4.423  35.983
  735    H    ALA 100           H        ALA 100   2.203  -0.406  31.879
  736    HA   ALA 100           HA       ALA 100   4.137  -1.486  30.001
  737    HB1  ALA 100           3HB      ALA 100   2.775   1.232  30.222
  738    HB2  ALA 100           1HB      ALA 100   3.805   0.737  28.867
  739    HB3  ALA 100           2HB      ALA 100   2.288  -0.115  29.175
  740    H    GLN 101           H        GLN 101   6.112  -0.383  29.370
  741    HA   GLN 101           HA       GLN 101   7.656   0.742  31.580
  742    HB2  GLN 101           2HB      GLN 101   8.340   0.105  28.678
  743    HB3  GLN 101           3HB      GLN 101   9.470   0.822  29.844
  744    HG2  GLN 101           2HG      GLN 101   9.193  -1.151  31.334
  745    HG3  GLN 101           3HG      GLN 101   8.077  -1.875  30.183
  746   HE21  GLN 101          2HE2      GLN 101   9.018  -3.384  28.826
  747   HE22  GLN 101          1HE2      GLN 101  10.698  -3.384  28.349
  748    H    HIS 102           H        HIS 102   5.961   2.411  31.785
  749    HA   HIS 102           HA       HIS 102   4.991   4.099  29.931
  750    HD1  HIS 102           HD1      HIS 102   4.669   3.213  34.420
  751    HD2  HIS 102           HD2      HIS 102   2.470   3.830  30.896
  752    HE1  HIS 102           HE1      HIS 102   2.556   1.818  34.634
  753    HB2  HIS 102           2HB      HIS 102   5.757   4.919  32.755
  754    HB3  HIS 102           3HB      HIS 102   4.559   5.710  31.734
  755    H    ALA 103           H        ALA 103   8.248   4.514  31.362
  756    HA   ALA 103           HA       ALA 103   8.766   7.138  30.519
  757    HB1  ALA 103           3HB      ALA 103  10.252   5.801  32.006
  758    HB2  ALA 103           1HB      ALA 103  10.704   4.779  30.624
  759    HB3  ALA 103           2HB      ALA 103  11.137   6.500  30.637
  760    H    ILE 104           H        ILE 104   8.863   4.102  28.634
  761    HA   ILE 104           HA       ILE 104  10.183   5.231  26.316
  762    HB   ILE 104           HB       ILE 104   8.365   2.783  26.578
  763   HG12  ILE 104          2HG1      ILE 104  11.403   3.028  26.758
  764   HG13  ILE 104          3HG1      ILE 104  10.305   2.579  28.065
  765   HG21  ILE 104          1HG2      ILE 104   8.564   3.575  24.256
  766   HG22  ILE 104          2HG2      ILE 104  10.339   3.540  24.381
  767   HG23  ILE 104          3HG2      ILE 104   9.386   2.042  24.458
  768   HD11  ILE 104          3HD1      ILE 104  10.983   0.921  25.618
  769   HD12  ILE 104          1HD1      ILE 104  11.324   0.575  27.316
  770   HD13  ILE 104          2HD1      ILE 104   9.648   0.532  26.730
  771    H    SER 105           H        SER 105   6.754   4.514  27.230
  772    HA   SER 105           HA       SER 105   5.599   5.568  24.914
  773    HG   SER 105           HG       SER 105   4.886   3.435  25.892
  774    HB2  SER 105           2HB      SER 105   4.339   5.579  27.676
  775    HB3  SER 105           3HB      SER 105   3.538   5.408  26.103
  776    H    THR 106           H        THR 106   6.389   7.312  28.038
  777    HA   THR 106           HA       THR 106   5.040   9.662  27.223
  778    HB   THR 106           HB       THR 106   6.531  10.795  28.944
  779    HG1  THR 106           1HG      THR 106   8.302   9.396  28.985
  780   HG21  THR 106          3HG2      THR 106   5.080   8.297  29.906
  781   HG22  THR 106          1HG2      THR 106   5.401   9.805  30.796
  782   HG23  THR 106          2HG2      THR 106   4.281   9.806  29.434
  783    H    GLU 107           H        GLU 107   8.463   8.627  26.641
  784    HA   GLU 107           HA       GLU 107   9.215  11.143  25.519
  785    HB2  GLU 107           2HB      GLU 107  10.279   8.315  25.164
  786    HB3  GLU 107           3HB      GLU 107  11.024   9.721  24.400
  787    HG2  GLU 107           2HG      GLU 107  10.649   9.447  27.415
  788    HG3  GLU 107           3HG      GLU 107  12.115   9.004  26.549
  789    H    LYS 108           H        LYS 108   7.806   8.190  24.119
  790    HA   LYS 108           HA       LYS 108   7.972   9.058  21.373
  791    HB2  LYS 108           2HB      LYS 108   6.283   7.015  22.854
  792    HB3  LYS 108           3HB      LYS 108   6.177   7.241  21.091
  793    HG2  LYS 108           2HG      LYS 108   8.549   6.684  20.825
  794    HG3  LYS 108           3HG      LYS 108   8.782   6.642  22.566
  795    HD2  LYS 108           2HD      LYS 108   8.666   4.388  21.956
  796    HD3  LYS 108           3HD      LYS 108   7.115   4.748  22.701
  797    HE2  LYS 108           2HE      LYS 108   6.732   3.364  20.779
  798    HE3  LYS 108           3HE      LYS 108   6.103   4.972  20.397
  799    HZ1  LYS 108           3HZ      LYS 108   7.506   3.790  18.672
  800    HZ2  LYS 108           1HZ      LYS 108   7.821   5.361  18.930
  801    HZ3  LYS 108           2HZ      LYS 108   8.825   4.194  19.560
  802    H    ILE 109           H        ILE 109   5.314   9.275  23.816
  803    HA   ILE 109           HA       ILE 109   3.499  10.726  22.147
  804    HB   ILE 109           HB       ILE 109   3.878  10.722  25.156
  805   HG12  ILE 109          2HG1      ILE 109   1.673   9.301  23.601
  806   HG13  ILE 109          3HG1      ILE 109   3.194   8.505  23.932
  807   HG21  ILE 109          1HG2      ILE 109   1.598  11.652  25.338
  808   HG22  ILE 109          2HG2      ILE 109   2.574  12.746  24.374
  809   HG23  ILE 109          3HG2      ILE 109   1.436  11.658  23.570
  810   HD11  ILE 109          3HD1      ILE 109   1.597   7.869  25.636
  811   HD12  ILE 109          1HD1      ILE 109   2.854   8.864  26.387
  812   HD13  ILE 109          2HD1      ILE 109   1.253   9.555  26.035
  813    H    LYS 110           H        LYS 110   6.220  11.831  24.276
  814    HA   LYS 110           HA       LYS 110   5.713  14.588  23.882
  815    HB2  LYS 110           2HB      LYS 110   7.151  13.416  25.612
  816    HB3  LYS 110           3HB      LYS 110   8.447  13.331  24.415
  817    HG2  LYS 110           2HG      LYS 110   8.527  15.766  24.275
  818    HG3  LYS 110           3HG      LYS 110   7.062  15.921  25.250
  819    HD2  LYS 110           2HD      LYS 110   9.778  14.932  26.222
  820    HD3  LYS 110           3HD      LYS 110   8.981  16.470  26.608
  821    HE2  LYS 110           2HE      LYS 110   7.040  14.987  27.526
  822    HE3  LYS 110           3HE      LYS 110   8.213  13.661  27.491
  823    HZ1  LYS 110           3HZ      LYS 110   8.349  16.170  29.040
  824    HZ2  LYS 110           1HZ      LYS 110   8.113  14.692  29.632
  825    HZ3  LYS 110           2HZ      LYS 110   9.600  15.059  28.994
  826    H    ALA 111           H        ALA 111   7.683  12.304  21.933
  827    HA   ALA 111           HA       ALA 111   8.621  14.244  20.078
  828    HB1  ALA 111           3HB      ALA 111   8.047  11.281  19.625
  829    HB2  ALA 111           1HB      ALA 111   9.050  12.328  18.608
  830    HB3  ALA 111           2HB      ALA 111   9.560  11.962  20.268
  831    H    LYS 112           H        LYS 112   5.621  12.237  20.113
  832    HA   LYS 112           HA       LYS 112   4.536  13.257  17.671
  833    HB2  LYS 112           2HB      LYS 112   3.762  11.198  18.812
  834    HB3  LYS 112           3HB      LYS 112   3.158  12.146  20.159
  835    HG2  LYS 112           2HG      LYS 112   1.317  11.471  18.784
  836    HG3  LYS 112           3HG      LYS 112   1.477  13.219  18.683
  837    HD2  LYS 112           2HD      LYS 112   2.570  13.019  16.474
  838    HD3  LYS 112           3HD      LYS 112   2.532  11.243  16.602
  839    HE2  LYS 112           2HE      LYS 112   0.054  11.301  16.695
  840    HE3  LYS 112           3HE      LYS 112   0.081  13.068  16.604
  841    HZ1  LYS 112           3HZ      LYS 112   1.079  12.877  14.401
  842    HZ2  LYS 112           1HZ      LYS 112   1.051  11.237  14.483
  843    HZ3  LYS 112           2HZ      LYS 112  -0.347  12.082  14.451
  844    H    TYR 113           H        TYR 113   4.602  14.531  20.937
  845    HA   TYR 113           HA       TYR 113   3.984  16.397  21.922
  846    HD1  TYR 113           HD1      TYR 113   6.223  17.780  22.567
  847    HD2  TYR 113           HD2      TYR 113   3.616  20.029  19.969
  848    HE1  TYR 113           HE1      TYR 113   6.542  19.780  23.992
  849    HE2  TYR 113           HE2      TYR 113   3.935  22.040  21.384
  850    HH   TYR 113           HH       TYR 113   6.027  22.022  24.302
  851    HB2  TYR 113           2HB      TYR 113   5.733  17.100  20.177
  852    HB3  TYR 113           3HB      TYR 113   4.413  17.834  19.296
  853    HA   PRO 114           HA       PRO 114  -0.377  16.642  20.215
  854    HB2  PRO 114           2HB      PRO 114  -1.748  15.027  21.908
  855    HB3  PRO 114           3HB      PRO 114  -0.875  14.376  20.485
  856    HG2  PRO 114           2HG      PRO 114   0.082  14.488  23.362
  857    HG3  PRO 114           3HG      PRO 114   0.102  13.090  22.239
  858    HD2  PRO 114           2HD      PRO 114   2.278  14.731  22.649
  859    HD3  PRO 114           3HD      PRO 114   1.940  13.933  21.083
  860    H    ASP 115           H        ASP 115   1.366  17.111  23.186
  861    HA   ASP 115           HA       ASP 115  -0.357  19.308  24.017
  862    HB2  ASP 115           2HB      ASP 115  -1.312  17.358  25.235
  863    HB3  ASP 115           3HB      ASP 115   0.301  16.975  25.859
  864    H    TYR 116           H        TYR 116   0.799  20.487  25.807
  865    HA   TYR 116           HA       TYR 116   3.330  21.269  24.864
  866    HD1  TYR 116           HD1      TYR 116   3.782  23.977  25.109
  867    HD2  TYR 116           HD2      TYR 116   3.595  22.341  29.097
  868    HE1  TYR 116           HE1      TYR 116   5.620  25.479  25.803
  869    HE2  TYR 116           HE2      TYR 116   5.437  23.840  29.804
  870    HH   TYR 116           HH       TYR 116   7.005  26.155  27.555
  871    HB2  TYR 116           2HB      TYR 116   1.727  22.713  26.029
  872    HB3  TYR 116           3HB      TYR 116   1.912  21.777  27.507
  873    H    GLU 117           H        GLU 117   2.533  18.863  27.380
  874    HA   GLU 117           HA       GLU 117   5.363  18.244  27.771
  875    HB2  GLU 117           2HB      GLU 117   4.934  20.133  29.328
  876    HB3  GLU 117           3HB      GLU 117   3.541  19.286  29.983
  877    HG2  GLU 117           2HG      GLU 117   5.422  19.166  31.510
  878    HG3  GLU 117           3HG      GLU 117   5.020  17.556  30.945
  879    H    VAL 118           H        VAL 118   5.579  16.214  28.992
  880    HA   VAL 118           HA       VAL 118   3.144  14.592  29.348
  881    HB   VAL 118           HB       VAL 118   5.478  13.481  27.754
  882   HG11  VAL 118          1HG1      VAL 118   2.561  12.612  27.872
  883   HG12  VAL 118          2HG1      VAL 118   3.915  11.740  27.140
  884   HG13  VAL 118          3HG1      VAL 118   3.839  11.932  28.893
  885   HG21  VAL 118          3HG2      VAL 118   2.967  14.673  26.508
  886   HG22  VAL 118          1HG2      VAL 118   4.631  15.270  26.304
  887   HG23  VAL 118          2HG2      VAL 118   4.192  13.688  25.672
  888    H    THR 119           H        THR 119   3.481  13.080  31.047
  889    HA   THR 119           HA       THR 119   6.166  12.758  32.223
  890    HB   THR 119           HB       THR 119   4.950  13.406  34.490
  891    HG1  THR 119           1HG      THR 119   3.278  14.481  32.538
  892   HG21  THR 119          3HG2      THR 119   5.810  15.662  34.387
  893   HG22  THR 119          1HG2      THR 119   6.931  14.599  33.524
  894   HG23  THR 119          2HG2      THR 119   5.820  15.644  32.611
  895    H    TRP 120           H        TRP 120   6.029  11.133  34.126
  896    HA   TRP 120           HA       TRP 120   3.542   9.683  34.264
  897    HD1  TRP 120           HD1      TRP 120   7.397   9.222  32.108
  898    HE1  TRP 120           HE1      TRP 120   9.563   8.117  32.862
  899    HE3  TRP 120           HE3      TRP 120   5.465   5.953  35.540
  900    HZ2  TRP 120           HZ2      TRP 120  10.375   6.010  34.698
  901    HZ3  TRP 120           HZ3      TRP 120   6.957   4.395  36.766
  902    HH2  TRP 120           HH2      TRP 120   9.409   4.417  36.353
  903    HB2  TRP 120           2HB      TRP 120   4.423   7.489  33.816
  904    HB3  TRP 120           3HB      TRP 120   4.758   8.477  32.423
  905    H    ALA 121           H        ALA 121   3.516   8.124  36.012
  906    HA   ALA 121           HA       ALA 121   5.679   7.798  37.847
  907    HB1  ALA 121           3HB      ALA 121   4.905  10.043  38.661
  908    HB2  ALA 121           1HB      ALA 121   3.257   9.402  38.838
  909    HB3  ALA 121           2HB      ALA 121   4.571   8.771  39.846
  910    H    ASN 122           H        ASN 122   4.820   6.315  39.673
  911    HA   ASN 122           HA       ASN 122   2.788   4.455  38.654
  912    HB2  ASN 122           2HB      ASN 122   4.882   3.645  39.764
  913    HB3  ASN 122           3HB      ASN 122   4.342   4.400  41.270
  914   HD21  ASN 122          2HD2      ASN 122   3.909   2.525  42.539
  915   HD22  ASN 122          1HD2      ASN 122   2.791   1.271  42.038
  916    H    ASP 123           H        ASP 123   1.558   6.807  38.851
  917    HA   ASP 123           HA       ASP 123   0.694   7.668  41.412
  918    HB2  ASP 123           2HB      ASP 123   0.819   9.091  39.396
  919    HB3  ASP 123           3HB      ASP 123  -0.513   8.189  38.672
  920    H    GLY 124           H        GLY 124  -0.493   5.061  39.457
  921    HA2  GLY 124           2HA      GLY 124  -2.448   4.189  41.296
  922    HA3  GLY 124           3HA      GLY 124  -3.252   5.028  39.956
  923    H    TYR 125           H        TYR 125  -4.064   2.673  39.769
  924    HA   TYR 125           HA       TYR 125  -2.331   1.041  37.985
  925    HD1  TYR 125           HD1      TYR 125  -2.224   1.239  41.901
  926    HD2  TYR 125           HD2      TYR 125  -1.081  -1.606  38.873
  927    HE1  TYR 125           HE1      TYR 125   0.011   1.028  42.952
  928    HE2  TYR 125           HE2      TYR 125   1.150  -1.838  39.918
  929    HH   TYR 125           HH       TYR 125   2.532  -1.183  41.675
  930    HB2  TYR 125           2HB      TYR 125  -3.926   0.140  40.402
  931    HB3  TYR 125           3HB      TYR 125  -3.396  -0.941  39.129
  Start of MODEL    8
    1    HA   MET   1           HA       MET   1   2.550 -10.769  -3.300
    2    H1   MET   1           H1       MET   1   1.151 -10.064  -5.095
    3    H2   MET   1           H2       MET   1   1.907 -11.463  -5.507
    4    H3   MET   1           H3       MET   1   2.408 -10.023  -6.139
    5    HB2  MET   1           2HB      MET   1   4.743 -10.596  -5.410
    6    HB3  MET   1           3HB      MET   1   5.059 -10.569  -3.677
    7    HG2  MET   1           2HG      MET   1   3.707 -12.842  -5.171
    8    HG3  MET   1           3HG      MET   1   5.370 -12.802  -4.598
    9    HE1  MET   1           3HE      MET   1   3.402 -15.204  -3.996
   10    HE2  MET   1           1HE      MET   1   5.084 -15.130  -3.419
   11    HE3  MET   1           2HE      MET   1   3.770 -15.512  -2.285
   12    H    ALA   2           H        ALA   2   3.198  -9.166  -1.865
   13    HA   ALA   2           HA       ALA   2   4.075  -6.554  -2.784
   14    HB1  ALA   2           3HB      ALA   2   1.599  -6.290  -2.865
   15    HB2  ALA   2           1HB      ALA   2   1.481  -6.887  -1.192
   16    HB3  ALA   2           2HB      ALA   2   2.299  -5.350  -1.535
   17    H    VAL   3           H        VAL   3   4.693  -5.241  -0.777
   18    HA   VAL   3           HA       VAL   3   5.285  -6.825   1.606
   19    HB   VAL   3           HB       VAL   3   7.587  -5.698   1.409
   20   HG11  VAL   3          1HG1      VAL   3   7.022  -7.906  -0.612
   21   HG12  VAL   3          2HG1      VAL   3   8.571  -7.543   0.177
   22   HG13  VAL   3          3HG1      VAL   3   7.211  -8.154   1.132
   23   HG21  VAL   3          3HG2      VAL   3   6.991  -5.569  -1.571
   24   HG22  VAL   3          1HG2      VAL   3   7.096  -4.165  -0.482
   25   HG23  VAL   3          2HG2      VAL   3   8.513  -5.188  -0.750
   26    H    ALA   4           H        ALA   4   6.312  -5.203   3.264
   27    HA   ALA   4           HA       ALA   4   5.238  -2.477   3.145
   28    HB1  ALA   4           3HB      ALA   4   3.400  -3.765   4.155
   29    HB2  ALA   4           1HB      ALA   4   4.527  -4.528   5.303
   30    HB3  ALA   4           2HB      ALA   4   4.187  -2.794   5.407
   31    H    ASP   5           H        ASP   5   5.988  -1.449   5.433
   32    HA   ASP   5           HA       ASP   5   8.510  -2.515   6.449
   33    HB2  ASP   5           2HB      ASP   5   9.224  -1.235   4.435
   34    HB3  ASP   5           3HB      ASP   5   8.352   0.182   5.027
   35    H    LEU   6           H        LEU   6   9.080  -1.362   8.451
   36    HA   LEU   6           HA       LEU   6   6.821  -0.716  10.040
   37    HG   LEU   6           HG       LEU   6   9.297  -2.620  10.380
   38    HB2  LEU   6           2HB      LEU   6   9.792  -0.186  10.484
   39    HB3  LEU   6           3HB      LEU   6   8.549   0.005  11.713
   40   HD11  LEU   6          1HD1      LEU   6   9.826  -1.561  13.189
   41   HD12  LEU   6          2HD1      LEU   6  10.207  -3.185  12.587
   42   HD13  LEU   6          3HD1      LEU   6  11.031  -1.782  11.900
   43   HD21  LEU   6          3HD2      LEU   6   7.303  -2.031  12.619
   44   HD22  LEU   6          1HD2      LEU   6   6.945  -2.714  11.014
   45   HD23  LEU   6          2HD2      LEU   6   7.881  -3.652  12.173
   46    H    ALA   7           H        ALA   7   8.729   1.382   7.945
   47    HA   ALA   7           HA       ALA   7   8.145   3.861   9.195
   48    HB1  ALA   7           3HB      ALA   7   8.406   3.195   6.231
   49    HB2  ALA   7           1HB      ALA   7   8.513   4.816   6.949
   50    HB3  ALA   7           2HB      ALA   7   9.745   3.599   7.333
   51    H    LEU   8           H        LEU   8   6.012   1.628   7.503
   52    HA   LEU   8           HA       LEU   8   3.993   3.636   6.841
   53    HG   LEU   8           HG       LEU   8   5.495   1.270   5.201
   54    HB2  LEU   8           2HB      LEU   8   3.822   0.595   6.893
   55    HB3  LEU   8           3HB      LEU   8   2.638   1.686   6.185
   56   HD11  LEU   8          1HD1      LEU   8   4.435   0.241   3.259
   57   HD12  LEU   8          2HD1      LEU   8   3.902  -0.580   4.736
   58   HD13  LEU   8          3HD1      LEU   8   2.818   0.563   3.928
   59   HD21  LEU   8          3HD2      LEU   8   4.818   2.676   3.259
   60   HD22  LEU   8          1HD2      LEU   8   3.306   3.088   4.099
   61   HD23  LEU   8          2HD2      LEU   8   4.878   3.594   4.764
   62    H    ILE   9           H        ILE   9   4.919   2.236   9.789
   63    HA   ILE   9           HA       ILE   9   2.154   2.270  10.894
   64    HB   ILE   9           HB       ILE   9   4.703   0.805  11.676
   65   HG12  ILE   9          2HG1      ILE   9   1.945  -0.284  10.944
   66   HG13  ILE   9          3HG1      ILE   9   3.248  -0.091   9.776
   67   HG21  ILE   9          1HG2      ILE   9   3.443  -0.174  13.570
   68   HG22  ILE   9          2HG2      ILE   9   3.624   1.558  13.748
   69   HG23  ILE   9          3HG2      ILE   9   2.065   0.897  13.201
   70   HD11  ILE   9          3HD1      ILE   9   3.327  -1.929  12.187
   71   HD12  ILE   9          1HD1      ILE   9   3.202  -2.374  10.480
   72   HD13  ILE   9          2HD1      ILE   9   4.689  -1.616  11.084
   73    HA   PRO  10           HA       PRO  10   3.864   5.995  12.824
   74    HB2  PRO  10           2HB      PRO  10   1.790   6.683  14.478
   75    HB3  PRO  10           3HB      PRO  10   1.748   6.927  12.707
   76    HG2  PRO  10           2HG      PRO  10   0.550   4.650  14.303
   77    HG3  PRO  10           3HG      PRO  10  -0.211   5.605  12.994
   78    HD2  PRO  10           2HD      PRO  10   0.938   3.158  12.554
   79    HD3  PRO  10           3HD      PRO  10   0.997   4.459  11.327
   80    H    ASP  11           H        ASP  11   4.767   6.549  14.905
   81    HA   ASP  11           HA       ASP  11   5.363   4.275  16.621
   82    HB2  ASP  11           2HB      ASP  11   6.903   5.798  17.694
   83    HB3  ASP  11           3HB      ASP  11   7.119   5.803  15.938
   84    H    VAL  12           H        VAL  12   3.329   7.145  16.740
   85    HA   VAL  12           HA       VAL  12   2.153   6.166  19.294
   86    HB   VAL  12           HB       VAL  12   2.666   9.083  18.594
   87   HG11  VAL  12          1HG1      VAL  12   1.886   9.548  20.893
   88   HG12  VAL  12          2HG1      VAL  12   0.623   8.771  19.943
   89   HG13  VAL  12          3HG1      VAL  12   1.537   7.822  21.138
   90   HG21  VAL  12          3HG2      VAL  12   4.016   7.327  20.679
   91   HG22  VAL  12          1HG2      VAL  12   4.776   8.049  19.242
   92   HG23  VAL  12          2HG2      VAL  12   4.199   9.094  20.537
   93    H    ASP  13           H        ASP  13  -0.048   5.988  19.150
   94    HA   ASP  13           HA       ASP  13  -1.568   7.784  17.439
   95    HB2  ASP  13           2HB      ASP  13  -1.220   5.996  15.819
   96    HB3  ASP  13           3HB      ASP  13  -1.729   4.783  16.997
   97    H    ILE  14           H        ILE  14  -2.715   8.584  19.059
   98    HA   ILE  14           HA       ILE  14  -3.970   6.814  21.057
   99    HB   ILE  14           HB       ILE  14  -3.262   8.361  22.842
  100   HG12  ILE  14          2HG1      ILE  14  -1.322   9.562  20.823
  101   HG13  ILE  14          3HG1      ILE  14  -2.773  10.362  21.411
  102   HG21  ILE  14          1HG2      ILE  14  -1.077   7.394  23.160
  103   HG22  ILE  14          2HG2      ILE  14  -2.102   6.207  22.355
  104   HG23  ILE  14          3HG2      ILE  14  -0.891   7.101  21.418
  105   HD11  ILE  14          3HD1      ILE  14  -0.869  11.199  22.630
  106   HD12  ILE  14          1HD1      ILE  14  -1.883  10.258  23.741
  107   HD13  ILE  14          2HD1      ILE  14  -0.374   9.567  23.100
  108    H    ASP  15           H        ASP  15  -5.137   7.972  18.762
  109    HA   ASP  15           HA       ASP  15  -6.415  10.469  19.187
  110    HB2  ASP  15           2HB      ASP  15  -6.186   9.556  16.975
  111    HB3  ASP  15           3HB      ASP  15  -7.112   8.115  17.409
  112    H    SER  16           H        SER  16  -7.272  10.543  21.250
  113    HA   SER  16           HA       SER  16 -10.005   9.762  21.607
  114    HG   SER  16           HG       SER  16  -9.051   7.577  21.249
  115    HB2  SER  16           2HB      SER  16  -7.777   8.374  23.152
  116    HB3  SER  16           3HB      SER  16  -9.395   8.584  23.853
  117    H    ASP  17           H        ASP  17 -10.505  10.463  24.098
  118    HA   ASP  17           HA       ASP  17  -9.089  12.960  24.791
  119    HB2  ASP  17           2HB      ASP  17 -10.745  13.678  23.158
  120    HB3  ASP  17           3HB      ASP  17 -11.993  12.684  23.906
  121    H    GLY  18           H        GLY  18  -9.296  13.378  26.996
  122    HA2  GLY  18           2HA      GLY  18  -9.936  13.067  29.216
  123    HA3  GLY  18           3HA      GLY  18 -11.256  12.008  28.693
  124    H    VAL  19           H        VAL  19 -10.668  10.436  30.319
  125    HA   VAL  19           HA       VAL  19  -8.076   9.150  30.379
  126    HB   VAL  19           HB       VAL  19 -10.799   8.213  31.387
  127   HG11  VAL  19          1HG1      VAL  19  -7.985   7.221  32.038
  128   HG12  VAL  19          2HG1      VAL  19  -9.474   6.738  32.902
  129   HG13  VAL  19          3HG1      VAL  19  -9.266   6.310  31.207
  130   HG21  VAL  19          3HG2      VAL  19 -10.094  10.328  32.503
  131   HG22  VAL  19          1HG2      VAL  19 -10.084   8.956  33.605
  132   HG23  VAL  19          2HG2      VAL  19  -8.553   9.559  32.953
  133    H    PHE  20           H        PHE  20  -7.365   7.420  29.128
  134    HA   PHE  20           HA       PHE  20  -9.313   5.610  27.942
  135    HD1  PHE  20           HD1      PHE  20  -5.857   5.700  25.362
  136    HD2  PHE  20           HD2      PHE  20  -8.047   9.275  26.351
  137    HE1  PHE  20           HE1      PHE  20  -3.928   7.072  24.659
  138    HE2  PHE  20           HE2      PHE  20  -6.108  10.656  25.661
  139    HZ   PHE  20           HZ       PHE  20  -4.040   9.561  24.816
  140    HB2  PHE  20           2HB      PHE  20  -8.302   5.665  25.690
  141    HB3  PHE  20           3HB      PHE  20  -9.179   7.122  26.100
  142    H    LYS  21           H        LYS  21  -8.335   3.597  27.285
  143    HA   LYS  21           HA       LYS  21  -6.066   2.814  28.980
  144    HB2  LYS  21           2HB      LYS  21  -7.709   1.264  26.928
  145    HB3  LYS  21           3HB      LYS  21  -6.501   0.565  28.013
  146    HG2  LYS  21           2HG      LYS  21  -7.896   1.255  29.973
  147    HG3  LYS  21           3HG      LYS  21  -9.111   1.902  28.852
  148    HD2  LYS  21           2HD      LYS  21  -9.268  -0.429  27.815
  149    HD3  LYS  21           3HD      LYS  21  -8.200  -0.993  29.105
  150    HE2  LYS  21           2HE      LYS  21 -10.446  -1.512  29.761
  151    HE3  LYS  21           3HE      LYS  21  -9.882  -0.197  30.799
  152    HZ1  LYS  21           3HZ      LYS  21 -11.614   0.154  28.401
  153    HZ2  LYS  21           1HZ      LYS  21 -12.155   0.112  29.942
  154    HZ3  LYS  21           2HZ      LYS  21 -11.183   1.336  29.454
  155    H    TYR  22           H        TYR  22  -4.055   1.921  28.134
  156    HA   TYR  22           HA       TYR  22  -3.652   2.096  25.261
  157    HD1  TYR  22           HD2      TYR  22  -1.722   3.927  28.798
  158    HD2  TYR  22           HD1      TYR  22   0.012   3.083  24.949
  159    HE1  TYR  22           HE2      TYR  22   0.499   3.780  29.843
  160    HE2  TYR  22           HE1      TYR  22   2.264   2.965  25.980
  161    HH   TYR  22           HH       TYR  22   3.504   3.375  27.873
  162    HB2  TYR  22           2HB      TYR  22  -2.240   3.817  25.125
  163    HB3  TYR  22           3HB      TYR  22  -2.956   4.366  26.612
  164    H    VAL  23           H        VAL  23  -1.633   1.083  24.601
  165    HA   VAL  23           HA       VAL  23  -0.448  -0.783  26.570
  166    HB   VAL  23           HB       VAL  23  -1.338  -1.617  23.789
  167   HG11  VAL  23          1HG1      VAL  23  -0.540  -3.337  26.182
  168   HG12  VAL  23          2HG1      VAL  23  -0.895  -3.895  24.535
  169   HG13  VAL  23          3HG1      VAL  23   0.555  -2.937  24.853
  170   HG21  VAL  23          3HG2      VAL  23  -2.742  -2.170  26.434
  171   HG22  VAL  23          1HG2      VAL  23  -3.390  -1.265  25.052
  172   HG23  VAL  23          2HG2      VAL  23  -3.093  -2.995  24.898
  173    H    LEU  24           H        LEU  24   1.706  -1.171  26.158
  174    HA   LEU  24           HA       LEU  24   3.048   0.437  24.021
  175    HG   LEU  24           HG       LEU  24   5.844  -0.919  24.912
  176    HB2  LEU  24           2HB      LEU  24   3.863   0.956  26.285
  177    HB3  LEU  24           3HB      LEU  24   4.075  -0.765  26.630
  178   HD11  LEU  24          1HD1      LEU  24   6.836   1.224  24.008
  179   HD12  LEU  24          2HD1      LEU  24   5.284   0.776  23.305
  180   HD13  LEU  24          3HD1      LEU  24   5.360   2.062  24.524
  181   HD21  LEU  24          3HD2      LEU  24   6.276   1.325  26.933
  182   HD22  LEU  24          1HD2      LEU  24   6.439  -0.428  27.230
  183   HD23  LEU  24          2HD2      LEU  24   7.549   0.385  26.123
  184    H    ILE  25           H        ILE  25   3.611  -0.823  22.289
  185    HA   ILE  25           HA       ILE  25   3.667  -3.790  22.672
  186    HB   ILE  25           HB       ILE  25   2.342  -2.160  20.461
  187   HG12  ILE  25          2HG1      ILE  25   0.927  -3.906  22.519
  188   HG13  ILE  25          3HG1      ILE  25   1.095  -2.162  22.702
  189   HG21  ILE  25          1HG2      ILE  25   1.464  -4.387  19.697
  190   HG22  ILE  25          2HG2      ILE  25   3.204  -4.271  19.600
  191   HG23  ILE  25          3HG2      ILE  25   2.463  -5.166  20.946
  192   HD11  ILE  25          3HD1      ILE  25  -0.132  -1.711  20.683
  193   HD12  ILE  25          1HD1      ILE  25  -0.380  -3.456  20.397
  194   HD13  ILE  25          2HD1      ILE  25  -1.090  -2.680  21.809
  195    H    ARG  26           H        ARG  26   5.290  -4.816  21.569
  196    HA   ARG  26           HA       ARG  26   7.187  -3.148  19.989
  197    HE   ARG  26           HE       ARG  26  10.958  -3.996  21.072
  198    HB2  ARG  26           2HB      ARG  26   8.210  -4.522  21.722
  199    HB3  ARG  26           3HB      ARG  26   7.398  -5.974  21.120
  200    HG2  ARG  26           2HG      ARG  26   8.667  -5.929  19.059
  201    HG3  ARG  26           3HG      ARG  26   9.333  -4.330  19.418
  202    HD2  ARG  26           2HD      ARG  26   9.839  -6.782  21.145
  203    HD3  ARG  26           3HD      ARG  26  10.906  -6.266  19.826
  204   HH11  ARG  26          1HH2      ARG  26  10.940  -7.132  22.791
  205   HH12  ARG  26          2HH2      ARG  26  11.734  -6.481  24.181
  206   HH21  ARG  26          1HH1      ARG  26  11.946  -3.209  22.738
  207   HH22  ARG  26          2HH1      ARG  26  12.357  -4.135  24.173
  208    H    VAL  27           H        VAL  27   7.312  -3.535  17.779
  209    HA   VAL  27           HA       VAL  27   5.437  -5.535  16.635
  210    HB   VAL  27           HB       VAL  27   4.402  -3.377  16.446
  211   HG11  VAL  27          1HG1      VAL  27   6.933  -2.372  15.085
  212   HG12  VAL  27          2HG1      VAL  27   5.392  -1.492  15.189
  213   HG13  VAL  27          3HG1      VAL  27   6.301  -1.847  16.661
  214   HG21  VAL  27          3HG2      VAL  27   4.067  -3.235  14.062
  215   HG22  VAL  27          1HG2      VAL  27   5.588  -4.089  13.733
  216   HG23  VAL  27          2HG2      VAL  27   4.241  -4.939  14.522
  217    H    HIS  28           H        HIS  28   6.223  -6.609  14.858
  218    HA   HIS  28           HA       HIS  28   9.151  -6.400  14.299
  219    HD1  HIS  28           HD1      HIS  28  10.560  -7.883  16.523
  220    HD2  HIS  28           HD2      HIS  28   6.548  -9.066  16.979
  221    HE1  HIS  28           HE1      HIS  28  10.242  -8.446  19.002
  222    HB2  HIS  28           2HB      HIS  28   7.421  -8.907  14.515
  223    HB3  HIS  28           3HB      HIS  28   9.161  -8.834  14.275
  224    H    SER  29           H        SER  29   9.581  -6.408  12.099
  225    HA   SER  29           HA       SER  29   7.307  -6.432  10.245
  226    HG   SER  29           HG       SER  29  10.771  -5.737  10.813
  227    HB2  SER  29           2HB      SER  29   9.062  -5.960   8.532
  228    HB3  SER  29           3HB      SER  29   8.943  -4.777   9.832
  229    H    ALA  30           H        ALA  30   6.775  -7.992   8.791
  230    HA   ALA  30           HA       ALA  30   8.579 -10.096   8.003
  231    HB1  ALA  30           3HB      ALA  30   6.050 -10.848   9.519
  232    HB2  ALA  30           1HB      ALA  30   7.075 -11.954   8.566
  233    HB3  ALA  30           2HB      ALA  30   7.732 -11.175  10.018
  234    HA   PRO  31           HA       PRO  31   5.388  -7.891   5.393
  235    HB2  PRO  31           2HB      PRO  31   6.976  -7.188   3.271
  236    HB3  PRO  31           3HB      PRO  31   6.832  -6.273   4.803
  237    HG2  PRO  31           2HG      PRO  31   8.963  -8.252   4.005
  238    HG3  PRO  31           3HG      PRO  31   9.180  -6.634   4.744
  239    HD2  PRO  31           2HD      PRO  31   9.216  -8.913   6.264
  240    HD3  PRO  31           3HD      PRO  31   8.477  -7.403   6.866
  241    H    ARG  32           H        ARG  32   7.519 -10.562   4.561
  242    HA   ARG  32           HA       ARG  32   5.328 -11.994   3.429
  243    HE   ARG  32           HE       ARG  32   9.818 -10.593  -1.087
  244    HB2  ARG  32           2HB      ARG  32   6.378 -12.668   1.333
  245    HB3  ARG  32           3HB      ARG  32   6.049 -10.942   1.320
  246    HG2  ARG  32           2HG      ARG  32   8.373 -10.389   1.577
  247    HG3  ARG  32           3HG      ARG  32   8.808 -12.055   1.992
  248    HD2  ARG  32           2HD      ARG  32   8.189 -12.827  -0.262
  249    HD3  ARG  32           3HD      ARG  32   7.673 -11.194  -0.693
  250   HH11  ARG  32          1HH2      ARG  32   9.984 -13.602   0.867
  251   HH12  ARG  32          2HH2      ARG  32  11.693 -13.738   0.696
  252   HH21  ARG  32          1HH1      ARG  32  12.062 -10.906  -1.396
  253   HH22  ARG  32          2HH1      ARG  32  12.865 -12.264  -0.703
  254    H    SER  33           H        SER  33   6.094 -14.351   3.110
  255    HA   SER  33           HA       SER  33   7.780 -15.249   5.204
  256    HG   SER  33           HG       SER  33   5.347 -17.469   3.734
  257    HB2  SER  33           2HB      SER  33   7.149 -16.642   2.564
  258    HB3  SER  33           3HB      SER  33   7.614 -17.409   4.092
  259    H    GLY  34           H        GLY  34   9.978 -15.637   5.272
  260    HA2  GLY  34           2HA      GLY  34  12.183 -15.510   4.766
  261    HA3  GLY  34           3HA      GLY  34  11.736 -15.995   3.124
  262    H    ALA  35           H        ALA  35  10.593 -12.922   4.566
  263    HA   ALA  35           HA       ALA  35  11.616 -11.364   2.408
  264    HB1  ALA  35           3HB      ALA  35  10.988  -9.429   3.848
  265    HB2  ALA  35           1HB      ALA  35   9.687 -10.623   3.725
  266    HB3  ALA  35           2HB      ALA  35  10.688 -10.543   5.196
  267    HA   PRO  36           HA       PRO  36  15.726 -10.531   4.099
  268    HB2  PRO  36           2HB      PRO  36  16.570  -8.495   2.501
  269    HB3  PRO  36           3HB      PRO  36  16.207 -10.108   1.827
  270    HG2  PRO  36           2HG      PRO  36  14.353  -7.697   1.928
  271    HG3  PRO  36           3HG      PRO  36  14.789  -8.690   0.499
  272    HD2  PRO  36           2HD      PRO  36  12.527  -9.151   1.977
  273    HD3  PRO  36           3HD      PRO  36  13.449 -10.480   1.214
  274    H    ALA  37           H        ALA  37  13.543  -9.619   5.671
  275    HA   ALA  37           HA       ALA  37  14.578  -7.198   6.941
  276    HB1  ALA  37           3HB      ALA  37  12.373  -6.048   6.811
  277    HB2  ALA  37           1HB      ALA  37  13.096  -6.254   5.201
  278    HB3  ALA  37           2HB      ALA  37  11.773  -7.323   5.726
  279    H    ALA  38           H        ALA  38  14.307  -7.430   9.077
  280    HA   ALA  38           HA       ALA  38  12.038  -8.832  10.262
  281    HB1  ALA  38           3HB      ALA  38  13.667 -10.678   9.843
  282    HB2  ALA  38           1HB      ALA  38  14.912  -9.775  10.740
  283    HB3  ALA  38           2HB      ALA  38  13.460 -10.372  11.575
  284    H    GLU  39           H        GLU  39  12.991  -6.091  10.104
  285    HA   GLU  39           HA       GLU  39  14.386  -5.322  12.544
  286    HB2  GLU  39           2HB      GLU  39  12.721  -3.711  10.548
  287    HB3  GLU  39           3HB      GLU  39  13.706  -3.027  11.839
  288    HG2  GLU  39           2HG      GLU  39  14.721  -4.599   9.430
  289    HG3  GLU  39           3HG      GLU  39  14.841  -2.864   9.678
  290    H    SER  40           H        SER  40  13.316  -4.016  14.244
  291    HA   SER  40           HA       SER  40  10.412  -4.378  14.550
  292    HG   SER  40           HG       SER  40  12.452  -6.687  15.018
  293    HB2  SER  40           2HB      SER  40  12.378  -5.144  16.729
  294    HB3  SER  40           3HB      SER  40  10.629  -5.346  16.758
  295    H    LYS  41           H        LYS  41   9.591  -2.997  16.345
  296    HA   LYS  41           HA       LYS  41  11.354  -1.058  17.564
  297    HB2  LYS  41           2HB      LYS  41  10.466   0.964  16.689
  298    HB3  LYS  41           3HB      LYS  41  10.960  -0.005  15.311
  299    HG2  LYS  41           2HG      LYS  41   8.542  -0.656  14.966
  300    HG3  LYS  41           3HG      LYS  41   8.103   0.423  16.305
  301    HD2  LYS  41           2HD      LYS  41   9.200   2.321  15.053
  302    HD3  LYS  41           3HD      LYS  41   9.444   1.217  13.686
  303    HE2  LYS  41           2HE      LYS  41   6.940   0.843  13.627
  304    HE3  LYS  41           3HE      LYS  41   6.773   2.033  14.927
  305    HZ1  LYS  41           3HZ      LYS  41   7.700   2.532  12.160
  306    HZ2  LYS  41           1HZ      LYS  41   6.388   3.126  12.855
  307    HZ3  LYS  41           2HZ      LYS  41   7.852   3.655  13.365
  308    H    GLU  42           H        GLU  42   9.836   0.570  18.897
  309    HA   GLU  42           HA       GLU  42   7.590  -1.032  20.045
  310    HB2  GLU  42           2HB      GLU  42   9.282   1.163  21.323
  311    HB3  GLU  42           3HB      GLU  42   7.858   0.412  22.027
  312    HG2  GLU  42           2HG      GLU  42   9.649  -0.671  23.060
  313    HG3  GLU  42           3HG      GLU  42   8.996  -1.821  21.898
  314    H    ILE  43           H        ILE  43   5.604  -0.038  20.295
  315    HA   ILE  43           HA       ILE  43   5.209   2.685  19.211
  316    HB   ILE  43           HB       ILE  43   3.239   1.839  17.982
  317   HG12  ILE  43          2HG1      ILE  43   4.312  -0.978  18.411
  318   HG13  ILE  43          3HG1      ILE  43   2.936  -0.304  19.287
  319   HG21  ILE  43          1HG2      ILE  43   4.438   1.085  16.043
  320   HG22  ILE  43          2HG2      ILE  43   5.510   2.181  16.924
  321   HG23  ILE  43          3HG2      ILE  43   5.763   0.437  17.034
  322   HD11  ILE  43          3HD1      ILE  43   1.700  -0.025  17.178
  323   HD12  ILE  43          1HD1      ILE  43   3.054  -0.765  16.286
  324   HD13  ILE  43          2HD1      ILE  43   2.160  -1.705  17.494
  325    H    VAL  44           H        VAL  44   3.434   3.763  20.035
  326    HA   VAL  44           HA       VAL  44   2.220   2.640  22.530
  327    HB   VAL  44           HB       VAL  44   2.526   5.519  21.550
  328   HG11  VAL  44          1HG1      VAL  44   1.817   4.582  24.353
  329   HG12  VAL  44          2HG1      VAL  44   1.864   6.236  23.749
  330   HG13  VAL  44          3HG1      VAL  44   0.610   5.135  23.170
  331   HG21  VAL  44          3HG2      VAL  44   4.747   4.601  22.114
  332   HG22  VAL  44          1HG2      VAL  44   4.228   5.797  23.305
  333   HG23  VAL  44          2HG2      VAL  44   4.129   4.060  23.691
  334    H    ARG  45           H        ARG  45   0.072   2.021  22.316
  335    HA   ARG  45           HA       ARG  45  -1.623   3.331  20.216
  336    HE   ARG  45           HE       ARG  45  -0.313   3.343  18.615
  337    HB2  ARG  45           2HB      ARG  45  -1.566   0.410  21.130
  338    HB3  ARG  45           3HB      ARG  45  -2.737   1.094  20.017
  339    HG2  ARG  45           2HG      ARG  45   0.261   0.847  19.451
  340    HG3  ARG  45           3HG      ARG  45  -0.955  -0.299  18.968
  341    HD2  ARG  45           2HD      ARG  45  -0.836   0.859  17.034
  342    HD3  ARG  45           3HD      ARG  45  -2.122   1.785  17.813
  343   HH11  ARG  45          1HH2      ARG  45   0.212   1.628  15.509
  344   HH12  ARG  45          2HH2      ARG  45   1.704   2.495  15.221
  345   HH21  ARG  45          1HH1      ARG  45   1.610   4.296  18.221
  346   HH22  ARG  45          2HH1      ARG  45   2.440   4.046  16.691
  347    H    GLY  46           H        GLY  46  -3.623   4.055  21.127
  348    HA2  GLY  46           2HA      GLY  46  -4.710   2.642  23.396
  349    HA3  GLY  46           3HA      GLY  46  -4.045   4.211  23.874
  350    H    TYR  47           H        TYR  47  -6.864   2.898  23.443
  351    HA   TYR  47           HA       TYR  47  -8.062   5.282  22.152
  352    HD1  TYR  47           HD2      TYR  47  -7.760   5.291  19.220
  353    HD2  TYR  47           HD1      TYR  47  -6.831   1.361  20.738
  354    HE1  TYR  47           HE2      TYR  47  -5.966   5.069  17.529
  355    HE2  TYR  47           HE1      TYR  47  -5.033   1.126  19.041
  356    HH   TYR  47           HH       TYR  47  -4.284   3.718  16.662
  357    HB2  TYR  47           2HB      TYR  47  -8.852   2.460  21.412
  358    HB3  TYR  47           3HB      TYR  47  -9.380   3.969  20.675
  359    H    LYS  48           H        LYS  48 -10.005   5.861  22.981
  360    HA   LYS  48           HA       LYS  48 -10.750   4.930  25.532
  361    HB2  LYS  48           2HB      LYS  48 -12.567   6.518  25.406
  362    HB3  LYS  48           3HB      LYS  48 -11.113   7.223  24.712
  363    HG2  LYS  48           2HG      LYS  48 -12.014   6.667  22.405
  364    HG3  LYS  48           3HG      LYS  48 -13.510   6.116  23.182
  365    HD2  LYS  48           2HD      LYS  48 -13.756   8.388  24.220
  366    HD3  LYS  48           3HD      LYS  48 -12.349   8.940  23.306
  367    HE2  LYS  48           2HE      LYS  48 -14.922   7.810  22.099
  368    HE3  LYS  48           3HE      LYS  48 -14.572   9.529  22.283
  369    HZ1  LYS  48           3HZ      LYS  48 -14.081   8.759  20.056
  370    HZ2  LYS  48           1HZ      LYS  48 -12.706   9.277  20.771
  371    HZ3  LYS  48           2HZ      LYS  48 -12.990   7.668  20.599
  372    H    TRP  49           H        TRP  49 -11.934   3.794  22.386
  373    HA   TRP  49           HA       TRP  49 -14.386   2.718  23.418
  374    HD1  TRP  49           HD1      TRP  49 -12.694   4.096  19.472
  375    HE1  TRP  49           HE1      TRP  49 -10.570   3.323  18.283
  376    HE3  TRP  49           HE3      TRP  49 -12.238  -0.601  21.517
  377    HZ2  TRP  49           HZ2      TRP  49  -8.695   1.172  18.511
  378    HZ3  TRP  49           HZ3      TRP  49 -10.173  -1.906  21.143
  379    HH2  TRP  49           HH2      TRP  49  -8.351  -0.992  19.723
  380    HB2  TRP  49           2HB      TRP  49 -14.411   1.433  21.256
  381    HB3  TRP  49           3HB      TRP  49 -14.341   3.176  21.127
  382    H    ALA  50           H        ALA  50 -11.112   1.612  23.776
  383    HA   ALA  50           HA       ALA  50 -11.452  -1.146  23.552
  384    HB1  ALA  50           3HB      ALA  50  -9.540   0.426  25.319
  385    HB2  ALA  50           1HB      ALA  50  -9.398  -1.290  24.880
  386    HB3  ALA  50           2HB      ALA  50  -9.295  -0.042  23.617
  387    H    GLU  51           H        GLU  51 -12.657  -2.540  24.646
  388    HA   GLU  51           HA       GLU  51 -13.930  -1.932  27.165
  389    HB2  GLU  51           2HB      GLU  51 -13.488  -4.537  25.642
  390    HB3  GLU  51           3HB      GLU  51 -14.453  -4.428  27.113
  391    HG2  GLU  51           2HG      GLU  51 -15.048  -2.856  24.566
  392    HG3  GLU  51           3HG      GLU  51 -15.783  -4.394  24.992
  393    H    TYR  52           H        TYR  52 -10.893  -3.480  26.280
  394    HA   TYR  52           HA       TYR  52  -9.980  -3.635  29.074
  395    HD1  TYR  52           HD2      TYR  52 -10.714  -5.755  30.820
  396    HD2  TYR  52           HD1      TYR  52 -12.249  -6.622  26.879
  397    HE1  TYR  52           HE2      TYR  52 -12.813  -6.604  31.826
  398    HE2  TYR  52           HE1      TYR  52 -14.346  -7.466  27.874
  399    HH   TYR  52           HH       TYR  52 -15.527  -7.859  29.845
  400    HB2  TYR  52           2HB      TYR  52  -9.944  -6.017  27.162
  401    HB3  TYR  52           3HB      TYR  52  -9.215  -5.967  28.757
  402    H    HIS  53           H        HIS  53  -7.546  -4.000  29.047
  403    HA   HIS  53           HA       HIS  53  -6.196  -2.487  27.058
  404    HD2  HIS  53           HD2      HIS  53  -6.201  -3.913  31.204
  405    HE1  HIS  53           HE1      HIS  53  -5.197   0.225  31.112
  406    HE2  HIS  53           HE2      HIS  53  -6.220  -1.653  32.533
  407    HB2  HIS  53           2HB      HIS  53  -5.090  -4.640  28.909
  408    HB3  HIS  53           3HB      HIS  53  -4.143  -3.429  28.046
  409    H    ALA  54           H        ALA  54  -6.801  -6.005  27.320
  410    HA   ALA  54           HA       ALA  54  -5.251  -6.781  25.084
  411    HB1  ALA  54           3HB      ALA  54  -7.746  -8.082  26.262
  412    HB2  ALA  54           1HB      ALA  54  -6.574  -8.859  25.178
  413    HB3  ALA  54           2HB      ALA  54  -6.070  -8.359  26.804
  414    H    ASP  55           H        ASP  55  -8.301  -5.056  25.154
  415    HA   ASP  55           HA       ASP  55  -9.344  -6.024  22.637
  416    HB2  ASP  55           2HB      ASP  55 -10.555  -4.756  24.565
  417    HB3  ASP  55           3HB      ASP  55  -9.833  -3.304  23.891
  418    H    ILE  56           H        ILE  56  -7.206  -3.381  23.702
  419    HA   ILE  56           HA       ILE  56  -6.834  -2.142  21.121
  420    HB   ILE  56           HB       ILE  56  -5.014  -2.189  23.572
  421   HG12  ILE  56          2HG1      ILE  56  -6.964  -0.010  22.730
  422   HG13  ILE  56          3HG1      ILE  56  -7.332  -1.255  23.926
  423   HG21  ILE  56          1HG2      ILE  56  -4.991  -0.302  21.173
  424   HG22  ILE  56          2HG2      ILE  56  -3.950  -0.161  22.607
  425   HG23  ILE  56          3HG2      ILE  56  -3.768  -1.536  21.540
  426   HD11  ILE  56          3HD1      ILE  56  -5.055   0.697  24.270
  427   HD12  ILE  56          1HD1      ILE  56  -6.677   0.867  24.949
  428   HD13  ILE  56          2HD1      ILE  56  -5.652  -0.498  25.439
  429    H    TYR  57           H        TYR  57  -4.952  -4.559  23.048
  430    HA   TYR  57           HA       TYR  57  -2.880  -4.824  21.172
  431    HD1  TYR  57           HD2      TYR  57  -0.658  -5.607  21.805
  432    HD2  TYR  57           HD1      TYR  57  -3.140  -9.032  22.655
  433    HE1  TYR  57           HE2      TYR  57   1.184  -7.115  21.118
  434    HE2  TYR  57           HE1      TYR  57  -1.292 -10.540  22.000
  435    HH   TYR  57           HH       TYR  57   0.916 -10.679  21.239
  436    HB2  TYR  57           2HB      TYR  57  -2.783  -5.634  23.499
  437    HB3  TYR  57           3HB      TYR  57  -3.967  -6.882  23.115
  438    H    ASP  58           H        ASP  58  -5.963  -6.703  21.393
  439    HA   ASP  58           HA       ASP  58  -5.382  -8.462  19.238
  440    HB2  ASP  58           2HB      ASP  58  -7.173  -8.899  20.827
  441    HB3  ASP  58           3HB      ASP  58  -8.036  -7.445  20.313
  442    H    LYS  59           H        LYS  59  -7.103  -5.290  19.299
  443    HA   LYS  59           HA       LYS  59  -7.797  -5.215  16.551
  444    HB2  LYS  59           2HB      LYS  59  -8.737  -3.787  18.299
  445    HB3  LYS  59           3HB      LYS  59  -7.204  -2.971  18.545
  446    HG2  LYS  59           2HG      LYS  59  -8.659  -2.896  15.874
  447    HG3  LYS  59           3HG      LYS  59  -9.080  -1.821  17.210
  448    HD2  LYS  59           2HD      LYS  59  -6.699  -1.007  17.272
  449    HD3  LYS  59           3HD      LYS  59  -6.389  -1.894  15.777
  450    HE2  LYS  59           2HE      LYS  59  -8.502   0.276  16.146
  451    HE3  LYS  59           3HE      LYS  59  -6.902   0.526  15.443
  452    HZ1  LYS  59           3HZ      LYS  59  -9.013  -1.213  14.303
  453    HZ2  LYS  59           1HZ      LYS  59  -8.544   0.244  13.729
  454    HZ3  LYS  59           2HZ      LYS  59  -7.505  -1.015  13.663
  455    H    VAL  60           H        VAL  60  -4.898  -3.978  18.254
  456    HA   VAL  60           HA       VAL  60  -3.628  -2.908  15.929
  457    HB   VAL  60           HB       VAL  60  -2.610  -3.775  18.666
  458   HG11  VAL  60          1HG1      VAL  60  -0.608  -2.399  18.248
  459   HG12  VAL  60          2HG1      VAL  60  -0.697  -3.717  17.093
  460   HG13  VAL  60          3HG1      VAL  60  -1.155  -2.075  16.590
  461   HG21  VAL  60          3HG2      VAL  60  -4.313  -1.827  18.480
  462   HG22  VAL  60          1HG2      VAL  60  -2.794  -1.471  19.272
  463   HG23  VAL  60          2HG2      VAL  60  -3.072  -0.954  17.585
  464    H    SER  61           H        SER  61  -3.247  -6.130  17.610
  465    HA   SER  61           HA       SER  61  -1.254  -7.090  15.852
  466    HG   SER  61           HG       SER  61  -2.288  -7.494  18.792
  467    HB2  SER  61           2HB      SER  61  -3.405  -8.678  17.317
  468    HB3  SER  61           3HB      SER  61  -1.885  -9.314  16.658
  469    H    GLY  62           H        GLY  62  -4.828  -7.056  15.492
  470    HA2  GLY  62           2HA      GLY  62  -4.981  -8.624  13.109
  471    HA3  GLY  62           3HA      GLY  62  -6.121  -7.370  13.636
  472    H    ASP  63           H        ASP  63  -4.603  -5.049  13.620
  473    HA   ASP  63           HA       ASP  63  -4.590  -4.393  10.854
  474    HB2  ASP  63           2HB      ASP  63  -4.931  -2.737  12.684
  475    HB3  ASP  63           3HB      ASP  63  -3.222  -2.873  13.107
  476    H    MET  64           H        MET  64  -1.840  -5.038  13.121
  477    HA   MET  64           HA       MET  64   0.185  -4.498  11.233
  478    HB2  MET  64           2HB      MET  64   0.072  -6.079  13.809
  479    HB3  MET  64           3HB      MET  64   1.462  -6.273  12.753
  480    HG2  MET  64           2HG      MET  64   2.034  -4.554  14.261
  481    HG3  MET  64           3HG      MET  64   1.770  -3.793  12.697
  482    HE1  MET  64           3HE      MET  64  -0.283  -0.870  13.770
  483    HE2  MET  64           1HE      MET  64   1.417  -1.319  13.504
  484    HE3  MET  64           2HE      MET  64   0.168  -1.815  12.330
  485    H    GLN  65           H        GLN  65  -1.658  -7.535  11.799
  486    HA   GLN  65           HA       GLN  65  -0.030  -9.101  10.018
  487    HB2  GLN  65           2HB      GLN  65  -2.870  -9.352  11.061
  488    HB3  GLN  65           3HB      GLN  65  -2.191 -10.512   9.912
  489    HG2  GLN  65           2HG      GLN  65  -0.394 -11.110  11.409
  490    HG3  GLN  65           3HG      GLN  65  -0.803  -9.818  12.532
  491   HE21  GLN  65          2HE2      GLN  65  -2.829  -9.945  13.710
  492   HE22  GLN  65          1HE2      GLN  65  -3.570 -11.512  14.040
  493    H    LYS  66           H        LYS  66  -2.829  -6.910   9.453
  494    HA   LYS  66           HA       LYS  66  -3.004  -7.551   6.647
  495    HB2  LYS  66           2HB      LYS  66  -3.911  -5.057   8.156
  496    HB3  LYS  66           3HB      LYS  66  -4.265  -5.407   6.464
  497    HG2  LYS  66           2HG      LYS  66  -5.474  -7.452   7.094
  498    HG3  LYS  66           3HG      LYS  66  -5.115  -7.162   8.804
  499    HD2  LYS  66           2HD      LYS  66  -6.351  -5.013   8.710
  500    HD3  LYS  66           3HD      LYS  66  -6.729  -5.312   6.995
  501    HE2  LYS  66           2HE      LYS  66  -7.874  -7.427   7.632
  502    HE3  LYS  66           3HE      LYS  66  -7.515  -7.108   9.334
  503    HZ1  LYS  66           3HZ      LYS  66  -9.223  -5.411   7.600
  504    HZ2  LYS  66           1HZ      LYS  66  -9.757  -6.429   8.761
  505    HZ3  LYS  66           2HZ      LYS  66  -8.889  -5.110   9.179
  506    H    GLN  67           H        GLN  67  -0.937  -5.331   8.513
  507    HA   GLN  67           HA       GLN  67   0.056  -3.937   6.181
  508    HB2  GLN  67           2HB      GLN  67   1.511  -4.322   8.838
  509    HB3  GLN  67           3HB      GLN  67   1.890  -3.158   7.586
  510    HG2  GLN  67           2HG      GLN  67  -0.549  -3.172   9.384
  511    HG3  GLN  67           3HG      GLN  67   0.812  -2.087   9.478
  512   HE21  GLN  67          2HE2      GLN  67  -1.915  -1.276   9.324
  513   HE22  GLN  67          1HE2      GLN  67  -2.122  -0.400   7.816
  514    H    GLY  68           H        GLY  68   1.411  -6.497   8.229
  515    HA2  GLY  68           2HA      GLY  68   2.488  -8.445   6.894
  516    HA3  GLY  68           3HA      GLY  68   3.464  -7.145   6.177
  517    H    CYS  69           H        CYS  69   2.262  -7.562   9.567
  518    HA   CYS  69           HA       CYS  69   5.017  -7.708  10.618
  519    HG   CYS  69           HG       CYS  69   4.747  -3.722  10.821
  520    HB2  CYS  69           2HB      CYS  69   2.922  -5.558  11.196
  521    HB3  CYS  69           3HB      CYS  69   4.326  -5.858  12.232
  522    H    ASP  70           H        ASP  70   4.839  -7.962  13.070
  523    HA   ASP  70           HA       ASP  70   2.371  -9.274  14.056
  524    HB2  ASP  70           2HB      ASP  70   3.839 -11.083  13.210
  525    HB3  ASP  70           3HB      ASP  70   5.171 -10.461  14.192
  526    H    CYS  71           H        CYS  71   2.636  -9.514  16.559
  527    HA   CYS  71           HA       CYS  71   4.045  -7.094  17.604
  528    HG   CYS  71           HG       CYS  71   1.605  -6.861  15.656
  529    HB2  CYS  71           2HB      CYS  71   1.147  -7.943  18.004
  530    HB3  CYS  71           3HB      CYS  71   1.952  -6.666  18.924
  531    H    GLU  72           H        GLU  72   4.291  -7.030  19.914
  532    HA   GLU  72           HA       GLU  72   3.667  -9.400  21.537
  533    HB2  GLU  72           2HB      GLU  72   5.972  -9.780  20.741
  534    HB3  GLU  72           3HB      GLU  72   6.416  -8.122  21.141
  535    HG2  GLU  72           2HG      GLU  72   7.308  -9.486  22.844
  536    HG3  GLU  72           3HG      GLU  72   5.956  -8.622  23.556
  537    H    CYS  73           H        CYS  73   2.558  -8.493  23.279
  538    HA   CYS  73           HA       CYS  73   2.570  -5.628  23.798
  539    HG   CYS  73           HG       CYS  73   0.106  -8.684  26.005
  540    HB2  CYS  73           2HB      CYS  73   1.308  -6.439  25.902
  541    HB3  CYS  73           3HB      CYS  73   0.536  -6.669  24.329
  542    H    LEU  74           H        LEU  74   3.960  -4.512  25.080
  543    HA   LEU  74           HA       LEU  74   5.949  -6.031  26.698
  544    HG   LEU  74           HG       LEU  74   6.445  -4.225  23.984
  545    HB2  LEU  74           2HB      LEU  74   5.817  -3.066  26.030
  546    HB3  LEU  74           3HB      LEU  74   7.086  -3.878  26.940
  547   HD11  LEU  74          1HD1      LEU  74   8.897  -3.168  25.463
  548   HD12  LEU  74          2HD1      LEU  74   8.759  -3.361  23.706
  549   HD13  LEU  74          3HD1      LEU  74   7.723  -2.203  24.545
  550   HD21  LEU  74          3HD2      LEU  74   8.436  -5.737  23.892
  551   HD22  LEU  74          1HD2      LEU  74   8.479  -5.752  25.670
  552   HD23  LEU  74          2HD2      LEU  74   7.091  -6.437  24.787
  553    H    GLY  75           H        GLY  75   3.067  -4.033  26.969
  554    HA2  GLY  75           2HA      GLY  75   2.224  -4.817  29.423
  555    HA3  GLY  75           3HA      GLY  75   3.344  -3.517  29.825
  556    H    GLY  76           H        GLY  76   0.955  -2.756  30.592
  557    HA2  GLY  76           2HA      GLY  76   0.176  -0.752  28.577
  558    HA3  GLY  76           3HA      GLY  76  -1.096  -1.867  29.074
  559    H    GLY  77           H        GLY  77  -1.846   0.469  29.577
  560    HA2  GLY  77           2HA      GLY  77  -1.870   1.069  32.366
  561    HA3  GLY  77           3HA      GLY  77  -0.701   2.099  31.518
  562    H    ARG  78           H        ARG  78  -2.152   3.926  31.983
  563    HA   ARG  78           HA       ARG  78  -4.291   4.212  29.947
  564    HE   ARG  78           HE       ARG  78  -5.678   1.197  33.183
  565    HB2  ARG  78           2HB      ARG  78  -4.647   4.346  32.954
  566    HB3  ARG  78           3HB      ARG  78  -5.561   5.460  31.938
  567    HG2  ARG  78           2HG      ARG  78  -6.848   3.859  30.946
  568    HG3  ARG  78           3HG      ARG  78  -5.666   2.567  31.154
  569    HD2  ARG  78           2HD      ARG  78  -7.210   3.774  33.463
  570    HD3  ARG  78           3HD      ARG  78  -7.748   2.366  32.546
  571   HH11  ARG  78          1HH1      ARG  78  -6.630   3.946  35.302
  572   HH12  ARG  78          2HH1      ARG  78  -5.695   3.273  36.635
  573   HH21  ARG  78          1HH2      ARG  78  -4.499   0.467  35.035
  574   HH22  ARG  78          2HH2      ARG  78  -4.641   1.433  36.509
  575    H    ILE  79           H        ILE  79  -4.867   6.500  29.671
  576    HA   ILE  79           HA       ILE  79  -2.713   8.393  30.442
  577    HB   ILE  79           HB       ILE  79  -3.807   8.026  27.618
  578   HG12  ILE  79          2HG1      ILE  79  -1.164   7.105  28.802
  579   HG13  ILE  79          3HG1      ILE  79  -2.416   6.120  28.061
  580   HG21  ILE  79          1HG2      ILE  79  -3.147  10.351  28.157
  581   HG22  ILE  79          2HG2      ILE  79  -1.538   9.780  28.660
  582   HG23  ILE  79          3HG2      ILE  79  -2.075   9.664  26.967
  583   HD11  ILE  79          3HD1      ILE  79  -1.935   7.186  25.854
  584   HD12  ILE  79          1HD1      ILE  79  -0.571   8.041  26.613
  585   HD13  ILE  79          2HD1      ILE  79  -0.570   6.282  26.536
  586    H    SER  80           H        SER  80  -3.516  10.534  30.641
  587    HA   SER  80           HA       SER  80  -6.174  11.168  29.697
  588    HG   SER  80           HG       SER  80  -8.124  11.245  31.352
  589    HB2  SER  80           2HB      SER  80  -6.425  10.084  32.047
  590    HB3  SER  80           3HB      SER  80  -5.630  11.543  32.661
  591    H    HIS  81           H        HIS  81  -6.609  13.562  30.462
  592    HA   HIS  81           HA       HIS  81  -4.357  15.289  30.891
  593    HD1  HIS  81           HD1      HIS  81  -6.775  17.300  27.464
  594    HD2  HIS  81           HD2      HIS  81  -6.044  13.142  27.507
  595    HE1  HIS  81           HE1      HIS  81  -8.489  16.254  25.937
  596    HB2  HIS  81           2HB      HIS  81  -4.553  16.531  28.775
  597    HB3  HIS  81           3HB      HIS  81  -4.037  14.880  28.469
  598    H    GLN  82           H        GLN  82  -5.160  17.473  31.199
  599    HA   GLN  82           HA       GLN  82  -6.555  18.878  32.276
  600    HB2  GLN  82           2HB      GLN  82  -8.388  18.028  30.007
  601    HB3  GLN  82           3HB      GLN  82  -8.671  19.436  31.035
  602    HG2  GLN  82           2HG      GLN  82  -6.795  20.608  30.201
  603    HG3  GLN  82           3HG      GLN  82  -6.043  19.163  29.534
  604   HE21  GLN  82          2HE2      GLN  82  -8.651  21.534  28.980
  605   HE22  GLN  82          1HE2      GLN  82  -8.902  21.090  27.309
  606    H    SER  83           H        SER  83  -6.296  16.626  33.634
  607    HA   SER  83           HA       SER  83  -8.920  16.171  34.935
  608    HG   SER  83           HG       SER  83  -7.232  13.163  32.792
  609    HB2  SER  83           2HB      SER  83  -8.633  13.709  34.595
  610    HB3  SER  83           3HB      SER  83  -8.889  14.618  33.092
  611    H    GLN  84           H        GLN  84  -6.165  14.022  35.175
  612    HA   GLN  84           HA       GLN  84  -5.707  14.514  38.005
  613    HB2  GLN  84           2HB      GLN  84  -4.072  13.031  35.887
  614    HB3  GLN  84           3HB      GLN  84  -3.729  13.027  37.620
  615    HG2  GLN  84           2HG      GLN  84  -5.896  11.931  38.078
  616    HG3  GLN  84           3HG      GLN  84  -6.304  11.988  36.364
  617   HE21  GLN  84          2HE2      GLN  84  -6.391   9.768  35.916
  618   HE22  GLN  84          1HE2      GLN  84  -4.994   8.711  36.055
  619    H    ASP  85           H        ASP  85  -4.472  15.764  34.960
  620    HA   ASP  85           HA       ASP  85  -2.941  17.875  36.247
  621    HB2  ASP  85           2HB      ASP  85  -1.447  15.748  35.869
  622    HB3  ASP  85           3HB      ASP  85  -1.572  16.138  34.160
  623    H    LYS  86           H        LYS  86  -2.250  19.386  34.346
  624    HA   LYS  86           HA       LYS  86  -4.556  19.691  32.533
  625    HB2  LYS  86           2HB      LYS  86  -3.545  21.658  33.648
  626    HB3  LYS  86           3HB      LYS  86  -2.013  21.357  32.814
  627    HG2  LYS  86           2HG      LYS  86  -3.144  21.693  30.622
  628    HG3  LYS  86           3HG      LYS  86  -4.689  21.945  31.457
  629    HD2  LYS  86           2HD      LYS  86  -3.743  23.933  32.604
  630    HD3  LYS  86           3HD      LYS  86  -2.192  23.672  31.773
  631    HE2  LYS  86           2HE      LYS  86  -3.329  23.938  29.577
  632    HE3  LYS  86           3HE      LYS  86  -4.871  24.198  30.403
  633    HZ1  LYS  86           3HZ      LYS  86  -2.493  25.955  30.635
  634    HZ2  LYS  86           1HZ      LYS  86  -3.841  26.285  29.773
  635    HZ3  LYS  86           2HZ      LYS  86  -3.925  26.197  31.402
  636    H    LYS  87           H        LYS  87  -0.978  19.364  32.171
  637    HA   LYS  87           HA       LYS  87  -1.210  18.656  29.361
  638    HB2  LYS  87           2HB      LYS  87   1.240  18.049  29.601
  639    HB3  LYS  87           3HB      LYS  87   0.753  19.718  29.779
  640    HG2  LYS  87           2HG      LYS  87   2.449  19.282  31.334
  641    HG3  LYS  87           3HG      LYS  87   0.973  19.569  32.231
  642    HD2  LYS  87           2HD      LYS  87   0.753  17.171  32.724
  643    HD3  LYS  87           3HD      LYS  87   2.146  16.796  31.680
  644    HE2  LYS  87           2HE      LYS  87   3.647  18.106  33.086
  645    HE3  LYS  87           3HE      LYS  87   2.294  18.748  34.026
  646    HZ1  LYS  87           3HZ      LYS  87   2.986  15.873  34.030
  647    HZ2  LYS  87           1HZ      LYS  87   3.563  16.957  35.117
  648    HZ3  LYS  87           2HZ      LYS  87   1.958  16.708  35.046
  649    H    ILE  88           H        ILE  88  -0.255  16.558  28.539
  650    HA   ILE  88           HA       ILE  88  -1.938  14.475  29.429
  651    HB   ILE  88           HB       ILE  88   0.569  14.342  27.696
  652   HG12  ILE  88          2HG1      ILE  88  -2.384  14.444  26.916
  653   HG13  ILE  88          3HG1      ILE  88  -1.259  15.791  26.799
  654   HG21  ILE  88          1HG2      ILE  88  -1.664  12.290  28.047
  655   HG22  ILE  88          2HG2      ILE  88  -0.314  12.148  26.900
  656   HG23  ILE  88          3HG2      ILE  88   0.008  12.089  28.616
  657   HD11  ILE  88          3HD1      ILE  88  -1.195  13.222  25.175
  658   HD12  ILE  88          1HD1      ILE  88  -1.481  14.868  24.613
  659   HD13  ILE  88          2HD1      ILE  88   0.133  14.409  25.196
  660    H    HIS  89           H        HIS  89  -1.704  12.816  30.823
  661    HA   HIS  89           HA       HIS  89   0.910  12.355  32.136
  662    HD1  HIS  89           HD1      HIS  89   0.498  10.342  34.656
  663    HD2  HIS  89           HD2      HIS  89   0.542  14.462  35.564
  664    HE1  HIS  89           HE1      HIS  89   1.951  10.618  36.707
  665    HB2  HIS  89           2HB      HIS  89  -0.756  13.887  33.458
  666    HB3  HIS  89           3HB      HIS  89  -1.680  12.415  33.722
  667    H    VAL  90           H        VAL  90   1.341  10.230  32.089
  668    HA   VAL  90           HA       VAL  90  -0.730   8.261  31.297
  669    HB   VAL  90           HB       VAL  90   2.290   8.049  31.628
  670   HG11  VAL  90          1HG1      VAL  90   0.318   6.127  30.345
  671   HG12  VAL  90          2HG1      VAL  90   2.085   5.972  30.303
  672   HG13  VAL  90          3HG1      VAL  90   1.227   5.855  31.847
  673   HG21  VAL  90          3HG2      VAL  90   1.832   9.560  29.767
  674   HG22  VAL  90          1HG2      VAL  90   2.373   8.008  29.132
  675   HG23  VAL  90          2HG2      VAL  90   0.650   8.428  29.089
  676    H    TYR  91           H        TYR  91  -1.217   6.480  32.843
  677    HA   TYR  91           HA       TYR  91   0.134   6.522  35.397
  678    HD1  TYR  91           HD1      TYR  91  -3.357   7.962  33.560
  679    HD2  TYR  91           HD2      TYR  91  -3.546   6.210  37.503
  680    HE1  TYR  91           HE1      TYR  91  -5.749   7.435  33.209
  681    HE2  TYR  91           HE2      TYR  91  -5.927   5.682  37.165
  682    HH   TYR  91           HH       TYR  91  -7.663   6.391  34.117
  683    HB2  TYR  91           2HB      TYR  91  -1.565   7.215  36.806
  684    HB3  TYR  91           3HB      TYR  91  -1.596   8.415  35.540
  685    H    GLY  92           H        GLY  92  -0.882   4.858  36.912
  686    HA2  GLY  92           2HA      GLY  92  -1.901   2.855  37.380
  687    HA3  GLY  92           3HA      GLY  92  -2.787   3.003  35.866
  688    H    TYR  93           H        TYR  93  -2.478   0.704  35.712
  689    HA   TYR  93           HA       TYR  93  -0.234   0.044  34.016
  690    HD1  TYR  93           HD2      TYR  93  -0.666  -0.133  38.216
  691    HD2  TYR  93           HD1      TYR  93  -1.060  -3.764  35.922
  692    HE1  TYR  93           HE2      TYR  93  -1.682  -1.264  40.168
  693    HE2  TYR  93           HE1      TYR  93  -2.125  -4.880  37.843
  694    HH   TYR  93           HH       TYR  93  -2.796  -4.671  40.071
  695    HB2  TYR  93           2HB      TYR  93   0.382  -1.997  35.178
  696    HB3  TYR  93           3HB      TYR  93   0.713  -0.592  36.159
  697    H    SER  94           H        SER  94  -0.749  -2.494  33.357
  698    HA   SER  94           HA       SER  94  -3.674  -2.675  32.803
  699    HG   SER  94           HG       SER  94  -2.642  -4.601  29.871
  700    HB2  SER  94           2HB      SER  94  -2.551  -2.513  30.739
  701    HB3  SER  94           3HB      SER  94  -1.189  -3.507  31.289
  702    H    MET  95           H        MET  95  -4.722  -4.399  33.712
  703    HA   MET  95           HA       MET  95  -3.266  -6.334  35.343
  704    HB2  MET  95           2HB      MET  95  -6.192  -6.202  34.482
  705    HB3  MET  95           3HB      MET  95  -5.513  -7.389  35.603
  706    HG2  MET  95           2HG      MET  95  -4.785  -5.535  37.103
  707    HG3  MET  95           3HG      MET  95  -5.575  -4.387  36.020
  708    HE1  MET  95           3HE      MET  95  -6.989  -3.312  37.947
  709    HE2  MET  95           1HE      MET  95  -7.885  -4.263  39.150
  710    HE3  MET  95           2HE      MET  95  -6.112  -4.376  39.069
  711    H    ALA  96           H        ALA  96  -4.030  -6.082  31.937
  712    HA   ALA  96           HA       ALA  96  -4.391  -8.914  31.461
  713    HB1  ALA  96           3HB      ALA  96  -4.236  -8.320  29.104
  714    HB2  ALA  96           1HB      ALA  96  -5.292  -7.161  29.935
  715    HB3  ALA  96           2HB      ALA  96  -3.624  -6.709  29.497
  716    H    TYR  97           H        TYR  97  -1.617  -6.675  31.483
  717    HA   TYR  97           HA       TYR  97   0.212  -8.964  30.840
  718    HD1  TYR  97           HD1      TYR  97  -0.385  -9.554  28.650
  719    HD2  TYR  97           HD2      TYR  97  -0.688  -5.286  28.060
  720    HE1  TYR  97           HE1      TYR  97  -1.993  -9.930  26.823
  721    HE2  TYR  97           HE2      TYR  97  -2.263  -5.653  26.188
  722    HH   TYR  97           HH       TYR  97  -3.347  -8.964  25.257
  723    HB2  TYR  97           2HB      TYR  97   0.496  -6.097  29.897
  724    HB3  TYR  97           3HB      TYR  97   1.481  -7.476  29.417
  725    H    GLY  98           H        GLY  98  -0.026  -5.691  32.330
  726    HA2  GLY  98           2HA      GLY  98   1.117  -5.697  34.651
  727    HA3  GLY  98           3HA      GLY  98   2.565  -6.066  33.686
  728    HA   PRO  99           HA       PRO  99   1.896  -1.390  33.607
  729    HB2  PRO  99           2HB      PRO  99   4.465  -0.782  34.497
  730    HB3  PRO  99           3HB      PRO  99   3.018  -0.862  35.550
  731    HG2  PRO  99           2HG      PRO  99   5.149  -2.952  35.089
  732    HG3  PRO  99           3HG      PRO  99   4.361  -2.487  36.628
  733    HD2  PRO  99           2HD      PRO  99   3.638  -4.710  35.220
  734    HD3  PRO  99           3HD      PRO  99   2.432  -3.742  36.120
  735    H    ALA 100           H        ALA 100   2.450  -0.380  31.753
  736    HA   ALA 100           HA       ALA 100   4.300  -1.567  29.829
  737    HB1  ALA 100           3HB      ALA 100   3.986   0.679  28.694
  738    HB2  ALA 100           1HB      ALA 100   2.463  -0.170  28.995
  739    HB3  ALA 100           2HB      ALA 100   2.958   1.166  30.048
  740    H    GLN 101           H        GLN 101   6.299  -0.402  29.170
  741    HA   GLN 101           HA       GLN 101   7.802   0.700  31.431
  742    HB2  GLN 101           2HB      GLN 101   8.555   0.133  28.534
  743    HB3  GLN 101           3HB      GLN 101   9.648   0.835  29.740
  744    HG2  GLN 101           2HG      GLN 101   9.373  -1.154  31.183
  745    HG3  GLN 101           3HG      GLN 101   8.258  -1.874  30.027
  746   HE21  GLN 101          2HE2      GLN 101  11.675  -0.952  30.548
  747   HE22  GLN 101          1HE2      GLN 101  12.315  -1.936  29.259
  748    H    HIS 102           H        HIS 102   6.010   2.287  31.608
  749    HA   HIS 102           HA       HIS 102   5.078   4.010  29.763
  750    HD1  HIS 102           HD1      HIS 102   4.749   2.855  34.150
  751    HD2  HIS 102           HD2      HIS 102   2.337   3.748  30.835
  752    HE1  HIS 102           HE1      HIS 102   2.621   1.474  34.401
  753    HB2  HIS 102           2HB      HIS 102   5.664   4.770  32.637
  754    HB3  HIS 102           3HB      HIS 102   4.462   5.513  31.585
  755    H    ALA 103           H        ALA 103   8.249   4.441  31.364
  756    HA   ALA 103           HA       ALA 103   8.724   7.124  30.673
  757    HB1  ALA 103           3HB      ALA 103  11.104   6.546  30.883
  758    HB2  ALA 103           1HB      ALA 103  10.165   5.790  32.185
  759    HB3  ALA 103           2HB      ALA 103  10.715   4.816  30.800
  760    H    ILE 104           H        ILE 104   8.991   4.171  28.671
  761    HA   ILE 104           HA       ILE 104  10.361   5.430  26.447
  762    HB   ILE 104           HB       ILE 104   8.597   2.931  26.539
  763   HG12  ILE 104          2HG1      ILE 104  11.617   3.238  26.859
  764   HG13  ILE 104          3HG1      ILE 104  10.477   2.706  28.095
  765   HG21  ILE 104          1HG2      ILE 104   9.680   2.293  24.435
  766   HG22  ILE 104          2HG2      ILE 104   8.887   3.848  24.255
  767   HG23  ILE 104          3HG2      ILE 104  10.654   3.782  24.457
  768   HD11  ILE 104          3HD1      ILE 104  11.298   1.172  25.610
  769   HD12  ILE 104          1HD1      ILE 104  11.589   0.765  27.307
  770   HD13  ILE 104          2HD1      ILE 104   9.938   0.699  26.659
  771    H    SER 105           H        SER 105   6.929   4.598  27.221
  772    HA   SER 105           HA       SER 105   5.787   5.712  24.935
  773    HG   SER 105           HG       SER 105   5.023   3.519  25.869
  774    HB2  SER 105           2HB      SER 105   4.488   5.649  27.681
  775    HB3  SER 105           3HB      SER 105   3.714   5.487  26.097
  776    H    THR 106           H        THR 106   6.461   7.362  28.137
  777    HA   THR 106           HA       THR 106   5.120   9.727  27.355
  778    HB   THR 106           HB       THR 106   6.501  10.797  29.203
  779    HG1  THR 106           1HG      THR 106   8.282   9.403  29.263
  780   HG21  THR 106          3HG2      THR 106   5.303   9.651  30.959
  781   HG22  THR 106          1HG2      THR 106   4.248   9.807  29.551
  782   HG23  THR 106          2HG2      THR 106   4.997   8.244  29.916
  783    H    GLU 107           H        GLU 107   8.576   8.748  26.829
  784    HA   GLU 107           HA       GLU 107   9.340  11.314  25.852
  785    HB2  GLU 107           2HB      GLU 107  10.388   8.510  25.330
  786    HB3  GLU 107           3HB      GLU 107  11.142   9.952  24.649
  787    HG2  GLU 107           2HG      GLU 107  10.758   9.520  27.643
  788    HG3  GLU 107           3HG      GLU 107  12.223   9.104  26.759
  789    H    LYS 108           H        LYS 108   7.956   8.462  24.226
  790    HA   LYS 108           HA       LYS 108   8.135   9.534  21.545
  791    HB2  LYS 108           2HB      LYS 108   6.418   7.390  22.862
  792    HB3  LYS 108           3HB      LYS 108   6.325   7.764  21.132
  793    HG2  LYS 108           2HG      LYS 108   8.616   7.129  20.764
  794    HG3  LYS 108           3HG      LYS 108   8.898   6.912  22.501
  795    HD2  LYS 108           2HD      LYS 108   7.264   5.091  22.586
  796    HD3  LYS 108           3HD      LYS 108   6.894   5.270  20.866
  797    HE2  LYS 108           2HE      LYS 108   9.732   4.752  21.832
  798    HE3  LYS 108           3HE      LYS 108   8.585   3.419  21.692
  799    HZ1  LYS 108           3HZ      LYS 108   9.196   5.192  19.407
  800    HZ2  LYS 108           1HZ      LYS 108  10.000   3.799  19.709
  801    HZ3  LYS 108           2HZ      LYS 108   8.408   3.731  19.389
  802    H    ILE 109           H        ILE 109   5.439   9.517  23.963
  803    HA   ILE 109           HA       ILE 109   3.651  11.032  22.332
  804    HB   ILE 109           HB       ILE 109   3.836  10.836  25.362
  805   HG12  ILE 109          2HG1      ILE 109   1.878   9.343  23.559
  806   HG13  ILE 109          3HG1      ILE 109   3.425   8.647  23.961
  807   HG21  ILE 109          1HG2      ILE 109   1.485  11.722  23.607
  808   HG22  ILE 109          2HG2      ILE 109   1.454  11.558  25.373
  809   HG23  ILE 109          3HG2      ILE 109   2.448  12.794  24.625
  810   HD11  ILE 109          3HD1      ILE 109   1.770   7.790  25.502
  811   HD12  ILE 109          1HD1      ILE 109   2.902   8.819  26.395
  812   HD13  ILE 109          2HD1      ILE 109   1.281   9.422  25.978
  813    H    LYS 110           H        LYS 110   6.172  12.060  24.713
  814    HA   LYS 110           HA       LYS 110   5.683  14.837  24.607
  815    HB2  LYS 110           2HB      LYS 110   7.102  13.657  26.252
  816    HB3  LYS 110           3HB      LYS 110   8.304  13.325  25.000
  817    HG2  LYS 110           2HG      LYS 110   8.614  15.814  24.745
  818    HG3  LYS 110           3HG      LYS 110   7.501  16.039  26.107
  819    HD2  LYS 110           2HD      LYS 110  10.099  14.436  26.188
  820    HD3  LYS 110           3HD      LYS 110   9.956  16.117  26.711
  821    HE2  LYS 110           2HE      LYS 110   8.478  15.542  28.525
  822    HE3  LYS 110           3HE      LYS 110   8.290  13.878  27.934
  823    HZ1  LYS 110           3HZ      LYS 110   9.843  13.988  29.763
  824    HZ2  LYS 110           1HZ      LYS 110  10.596  13.461  28.398
  825    HZ3  LYS 110           2HZ      LYS 110  10.827  15.003  28.938
  826    H    ALA 111           H        ALA 111   7.648  12.774  22.388
  827    HA   ALA 111           HA       ALA 111   8.661  14.904  20.831
  828    HB1  ALA 111           3HB      ALA 111   9.037  13.230  19.101
  829    HB2  ALA 111           1HB      ALA 111   9.456  12.551  20.687
  830    HB3  ALA 111           2HB      ALA 111   7.934  12.093  19.890
  831    H    LYS 112           H        LYS 112   5.492  13.183  20.644
  832    HA   LYS 112           HA       LYS 112   4.625  14.693  18.303
  833    HB2  LYS 112           2HB      LYS 112   2.923  13.246  20.390
  834    HB3  LYS 112           3HB      LYS 112   2.385  13.813  18.817
  835    HG2  LYS 112           2HG      LYS 112   4.379  11.583  19.355
  836    HG3  LYS 112           3HG      LYS 112   2.721  11.430  18.770
  837    HD2  LYS 112           2HD      LYS 112   3.349  12.653  16.682
  838    HD3  LYS 112           3HD      LYS 112   5.032  12.747  17.268
  839    HE2  LYS 112           2HE      LYS 112   5.078  10.262  17.460
  840    HE3  LYS 112           3HE      LYS 112   3.454  10.189  16.766
  841    HZ1  LYS 112           3HZ      LYS 112   5.257   9.787  15.221
  842    HZ2  LYS 112           1HZ      LYS 112   4.323  11.059  14.718
  843    HZ3  LYS 112           2HZ      LYS 112   5.815  11.316  15.386
  844    H    TYR 113           H        TYR 113   4.136  15.077  21.812
  845    HA   TYR 113           HA       TYR 113   2.075  16.936  21.672
  846    HD1  TYR 113           HD1      TYR 113   0.422  16.497  23.157
  847    HD2  TYR 113           HD2      TYR 113   3.451  17.921  25.882
  848    HE1  TYR 113           HE1      TYR 113  -1.331  17.507  24.571
  849    HE2  TYR 113           HE2      TYR 113   1.711  18.899  27.318
  850    HH   TYR 113           HH       TYR 113  -1.791  18.714  26.509
  851    HB2  TYR 113           2HB      TYR 113   3.018  15.484  23.615
  852    HB3  TYR 113           3HB      TYR 113   4.132  16.806  23.907
  853    HA   PRO 114           HA       PRO 114   4.158  20.540  20.273
  854    HB2  PRO 114           2HB      PRO 114   2.477  22.594  20.929
  855    HB3  PRO 114           3HB      PRO 114   2.042  21.317  19.755
  856    HG2  PRO 114           2HG      PRO 114   1.331  21.453  22.701
  857    HG3  PRO 114           3HG      PRO 114   0.236  21.146  21.313
  858    HD2  PRO 114           2HD      PRO 114   1.302  19.148  22.807
  859    HD3  PRO 114           3HD      PRO 114   1.048  18.946  21.046
  860    H    ASP 115           H        ASP 115   4.176  19.871  23.562
  861    HA   ASP 115           HA       ASP 115   6.287  21.833  24.015
  862    HB2  ASP 115           2HB      ASP 115   4.292  22.915  25.022
  863    HB3  ASP 115           3HB      ASP 115   3.971  21.451  25.958
  864    H    TYR 116           H        TYR 116   7.689  21.046  25.739
  865    HA   TYR 116           HA       TYR 116   8.020  18.179  25.377
  866    HD1  TYR 116           HD2      TYR 116  10.225  17.846  23.859
  867    HD2  TYR 116           HD1      TYR 116  10.023  21.985  25.067
  868    HE1  TYR 116           HE2      TYR 116  10.918  18.532  21.590
  869    HE2  TYR 116           HE1      TYR 116  10.718  22.682  22.794
  870    HH   TYR 116           HH       TYR 116  11.397  20.322  20.176
  871    HB2  TYR 116           2HB      TYR 116   9.800  20.251  26.714
  872    HB3  TYR 116           3HB      TYR 116  10.264  18.600  26.321
  873    H    GLU 117           H        GLU 117   5.784  18.453  26.954
  874    HA   GLU 117           HA       GLU 117   6.706  17.702  29.678
  875    HB2  GLU 117           2HB      GLU 117   6.073  20.191  29.410
  876    HB3  GLU 117           3HB      GLU 117   4.408  19.633  29.230
  877    HG2  GLU 117           2HG      GLU 117   4.701  20.161  31.535
  878    HG3  GLU 117           3HG      GLU 117   4.689  18.401  31.433
  879    H    VAL 118           H        VAL 118   6.240  15.553  29.339
  880    HA   VAL 118           HA       VAL 118   3.417  14.857  29.735
  881    HB   VAL 118           HB       VAL 118   5.272  13.259  27.907
  882   HG11  VAL 118          1HG1      VAL 118   3.226  11.967  27.359
  883   HG12  VAL 118          2HG1      VAL 118   3.565  11.898  29.089
  884   HG13  VAL 118          3HG1      VAL 118   2.291  12.966  28.491
  885   HG21  VAL 118          3HG2      VAL 118   4.664  15.302  26.711
  886   HG22  VAL 118          1HG2      VAL 118   3.820  13.920  26.021
  887   HG23  VAL 118          2HG2      VAL 118   2.946  15.045  27.085
  888    H    THR 119           H        THR 119   3.320  13.229  31.369
  889    HA   THR 119           HA       THR 119   5.893  12.263  32.522
  890    HB   THR 119           HB       THR 119   4.776  12.911  34.770
  891    HG1  THR 119           1HG      THR 119   2.741  13.439  34.070
  892   HG21  THR 119          3HG2      THR 119   5.649  15.165  34.729
  893   HG22  THR 119          1HG2      THR 119   6.726  14.115  33.796
  894   HG23  THR 119          2HG2      THR 119   5.609  15.211  32.952
  895    H    TRP 120           H        TRP 120   5.428  10.585  34.311
  896    HA   TRP 120           HA       TRP 120   2.878   9.223  33.954
  897    HD1  TRP 120           HD1      TRP 120   7.012   8.712  32.372
  898    HE1  TRP 120           HE1      TRP 120   9.034   7.552  33.400
  899    HE3  TRP 120           HE3      TRP 120   4.573   5.533  35.575
  900    HZ2  TRP 120           HZ2      TRP 120   9.546   5.439  35.322
  901    HZ3  TRP 120           HZ3      TRP 120   5.863   3.946  36.976
  902    HH2  TRP 120           HH2      TRP 120   8.341   3.887  36.856
  903    HB2  TRP 120           2HB      TRP 120   3.797   7.056  33.610
  904    HB3  TRP 120           3HB      TRP 120   4.391   8.105  32.348
  905    H    ALA 121           H        ALA 121   2.463   7.636  35.658
  906    HA   ALA 121           HA       ALA 121   4.278   7.491  37.937
  907    HB1  ALA 121           3HB      ALA 121   2.487   8.073  39.574
  908    HB2  ALA 121           1HB      ALA 121   2.901   9.459  38.555
  909    HB3  ALA 121           2HB      ALA 121   1.411   8.532  38.237
  910    H    ASN 122           H        ASN 122   3.493   5.719  39.429
  911    HA   ASN 122           HA       ASN 122   1.369   3.974  38.408
  912    HB2  ASN 122           2HB      ASN 122   3.366   3.214  37.143
  913    HB3  ASN 122           3HB      ASN 122   4.213   2.937  38.675
  914   HD21  ASN 122          2HD2      ASN 122   4.418   0.640  38.065
  915   HD22  ASN 122          1HD2      ASN 122   3.034  -0.418  38.225
  916    H    ASP 123           H        ASP 123   1.240   5.537  40.607
  917    HA   ASP 123           HA       ASP 123   2.278   4.454  43.031
  918    HB2  ASP 123           2HB      ASP 123   1.511   6.766  42.813
  919    HB3  ASP 123           3HB      ASP 123  -0.134   6.220  42.486
  920    H    GLY 124           H        GLY 124  -0.532   3.621  41.090
  921    HA2  GLY 124           2HA      GLY 124  -1.043   1.155  42.373
  922    HA3  GLY 124           3HA      GLY 124  -2.258   2.353  42.873
  923    H    TYR 125           H        TYR 125  -3.471   0.495  41.486
  924    HA   TYR 125           HA       TYR 125  -3.289   0.657  38.629
  925    HD1  TYR 125           HD2      TYR 125  -3.793  -1.816  37.513
  926    HD2  TYR 125           HD1      TYR 125  -7.416   0.265  38.568
  927    HE1  TYR 125           HE2      TYR 125  -4.732  -2.343  35.293
  928    HE2  TYR 125           HE1      TYR 125  -8.367  -0.253  36.342
  929    HH   TYR 125           HH       TYR 125  -7.995  -1.270  34.274
  930    HB2  TYR 125           2HB      TYR 125  -4.361  -1.245  39.902
  931    HB3  TYR 125           3HB      TYR 125  -5.714  -0.177  40.263
  Start of MODEL    9
    1    HA   MET   1           HA       MET   1   3.594   1.103  -5.561
    2    H1   MET   1           H1       MET   1   1.966  -0.829  -4.070
    3    H2   MET   1           H2       MET   1   2.603  -1.047  -5.566
    4    H3   MET   1           H3       MET   1   1.457   0.104  -5.325
    5    HB2  MET   1           2HB      MET   1   1.932   2.206  -4.116
    6    HB3  MET   1           3HB      MET   1   2.559   1.347  -2.707
    7    HG2  MET   1           2HG      MET   1   4.769   2.445  -3.042
    8    HG3  MET   1           3HG      MET   1   4.136   3.270  -4.472
    9    HE1  MET   1           3HE      MET   1   4.633   6.171  -1.883
   10    HE2  MET   1           1HE      MET   1   5.642   4.719  -2.068
   11    HE3  MET   1           2HE      MET   1   5.023   5.564  -3.508
   12    H    ALA   2           H        ALA   2   3.895  -0.174  -2.204
   13    HA   ALA   2           HA       ALA   2   6.212  -1.814  -2.881
   14    HB1  ALA   2           3HB      ALA   2   7.689  -0.598  -1.296
   15    HB2  ALA   2           1HB      ALA   2   7.224   0.454  -2.644
   16    HB3  ALA   2           2HB      ALA   2   6.437   0.635  -1.057
   17    H    VAL   3           H        VAL   3   6.963  -2.920  -0.798
   18    HA   VAL   3           HA       VAL   3   4.757  -3.842   0.779
   19    HB   VAL   3           HB       VAL   3   6.465  -5.162   1.906
   20   HG11  VAL   3          1HG1      VAL   3   5.543  -5.898  -0.301
   21   HG12  VAL   3          2HG1      VAL   3   6.973  -5.215  -1.095
   22   HG13  VAL   3          3HG1      VAL   3   7.151  -6.545   0.062
   23   HG21  VAL   3          3HG2      VAL   3   8.558  -3.727   0.200
   24   HG22  VAL   3          1HG2      VAL   3   8.362  -3.559   1.958
   25   HG23  VAL   3          2HG2      VAL   3   8.833  -5.116   1.267
   26    H    ALA   4           H        ALA   4   5.003  -3.841   3.250
   27    HA   ALA   4           HA       ALA   4   4.860  -1.130   4.185
   28    HB1  ALA   4           3HB      ALA   4   4.446  -2.173   6.375
   29    HB2  ALA   4           1HB      ALA   4   3.489  -2.973   5.118
   30    HB3  ALA   4           2HB      ALA   4   4.965  -3.749   5.748
   31    H    ASP   5           H        ASP   5   6.077  -0.440   6.229
   32    HA   ASP   5           HA       ASP   5   8.660  -1.621   6.773
   33    HB2  ASP   5           2HB      ASP   5   9.217  -0.057   4.890
   34    HB3  ASP   5           3HB      ASP   5   8.492   1.268   5.800
   35    H    LEU   6           H        LEU   6   9.331  -0.881   8.924
   36    HA   LEU   6           HA       LEU   6   7.164  -0.344  10.671
   37    HG   LEU   6           HG       LEU   6   9.466  -2.419  10.667
   38    HB2  LEU   6           2HB      LEU   6  10.174  -0.051  11.059
   39    HB3  LEU   6           3HB      LEU   6   8.994   0.064  12.358
   40   HD11  LEU   6          1HD1      LEU   6  11.350  -1.894  12.152
   41   HD12  LEU   6          2HD1      LEU   6  10.245  -1.758  13.538
   42   HD13  LEU   6          3HD1      LEU   6  10.464  -3.315  12.711
   43   HD21  LEU   6          3HD2      LEU   6   7.625  -1.904  13.050
   44   HD22  LEU   6          1HD2      LEU   6   7.181  -2.488  11.426
   45   HD23  LEU   6          2HD2      LEU   6   8.095  -3.527  12.512
   46    H    ALA   7           H        ALA   7   9.314   1.917   8.968
   47    HA   ALA   7           HA       ALA   7   8.766   4.184  10.629
   48    HB1  ALA   7           3HB      ALA   7  10.634   4.079   9.000
   49    HB2  ALA   7           1HB      ALA   7   9.458   4.062   7.663
   50    HB3  ALA   7           2HB      ALA   7   9.587   5.487   8.714
   51    H    LEU   8           H        LEU   8   6.840   2.533   8.172
   52    HA   LEU   8           HA       LEU   8   5.087   4.833   7.665
   53    HG   LEU   8           HG       LEU   8   6.693   2.791   5.757
   54    HB2  LEU   8           2HB      LEU   8   4.722   1.889   6.968
   55    HB3  LEU   8           3HB      LEU   8   3.741   3.222   6.382
   56   HD11  LEU   8          1HD1      LEU   8   4.224   2.520   3.991
   57   HD12  LEU   8          2HD1      LEU   8   5.915   2.282   3.491
   58   HD13  LEU   8          3HD1      LEU   8   5.179   1.180   4.657
   59   HD21  LEU   8          3HD2      LEU   8   4.770   4.938   4.756
   60   HD22  LEU   8          1HD2      LEU   8   6.225   5.192   5.749
   61   HD23  LEU   8          2HD2      LEU   8   6.389   4.617   4.090
   62    H    ILE   9           H        ILE   9   5.298   2.234  10.011
   63    HA   ILE   9           HA       ILE   9   2.496   2.245  10.748
   64    HB   ILE   9           HB       ILE   9   4.965   1.233  12.216
   65   HG12  ILE   9          2HG1      ILE   9   2.860  -0.217  10.541
   66   HG13  ILE   9          3HG1      ILE   9   4.531   0.087  10.062
   67   HG21  ILE   9          1HG2      ILE   9   3.369  -0.007  13.652
   68   HG22  ILE   9          2HG2      ILE   9   3.152   1.726  13.805
   69   HG23  ILE   9          3HG2      ILE   9   2.011   0.793  12.817
   70   HD11  ILE   9          3HD1      ILE   9   4.471  -2.152  10.752
   71   HD12  ILE   9          1HD1      ILE   9   5.273  -1.272  12.072
   72   HD13  ILE   9          2HD1      ILE   9   3.581  -1.794  12.235
   73    HA   PRO  10           HA       PRO  10   2.857   6.291  12.809
   74    HB2  PRO  10           2HB      PRO  10   0.466   5.173  14.294
   75    HB3  PRO  10           3HB      PRO  10   0.698   6.810  13.606
   76    HG2  PRO  10           2HG      PRO  10  -0.818   4.980  12.301
   77    HG3  PRO  10           3HG      PRO  10   0.333   6.010  11.387
   78    HD2  PRO  10           2HD      PRO  10   0.689   3.145  12.294
   79    HD3  PRO  10           3HD      PRO  10   1.085   3.896  10.719
   80    H    ASP  11           H        ASP  11   4.073   6.775  14.625
   81    HA   ASP  11           HA       ASP  11   5.015   4.537  16.188
   82    HB2  ASP  11           2HB      ASP  11   6.226   6.719  15.289
   83    HB3  ASP  11           3HB      ASP  11   5.680   7.411  16.820
   84    H    VAL  12           H        VAL  12   2.752   7.147  16.707
   85    HA   VAL  12           HA       VAL  12   1.934   6.099  19.336
   86    HB   VAL  12           HB       VAL  12   2.355   9.041  18.625
   87   HG11  VAL  12          1HG1      VAL  12   0.445   8.677  20.154
   88   HG12  VAL  12          2HG1      VAL  12   1.490   7.765  21.265
   89   HG13  VAL  12          3HG1      VAL  12   1.772   9.498  20.965
   90   HG21  VAL  12          3HG2      VAL  12   4.070   9.018  20.419
   91   HG22  VAL  12          1HG2      VAL  12   3.930   7.247  20.518
   92   HG23  VAL  12          2HG2      VAL  12   4.530   8.030  19.038
   93    H    ASP  13           H        ASP  13  -0.327   5.960  19.373
   94    HA   ASP  13           HA       ASP  13  -1.943   7.681  17.660
   95    HB2  ASP  13           2HB      ASP  13  -1.512   5.806  16.123
   96    HB3  ASP  13           3HB      ASP  13  -2.073   4.660  17.342
   97    H    ILE  14           H        ILE  14  -2.961   8.525  19.367
   98    HA   ILE  14           HA       ILE  14  -4.160   6.766  21.415
   99    HB   ILE  14           HB       ILE  14  -3.370   8.318  23.156
  100   HG12  ILE  14          2HG1      ILE  14  -1.494   9.501  21.066
  101   HG13  ILE  14          3HG1      ILE  14  -2.939  10.310  21.654
  102   HG21  ILE  14          1HG2      ILE  14  -2.232   6.167  22.625
  103   HG22  ILE  14          2HG2      ILE  14  -1.079   7.052  21.605
  104   HG23  ILE  14          3HG2      ILE  14  -1.156   7.361  23.350
  105   HD11  ILE  14          3HD1      ILE  14  -1.007  11.163  22.831
  106   HD12  ILE  14          1HD1      ILE  14  -2.037  10.273  23.969
  107   HD13  ILE  14          2HD1      ILE  14  -0.538   9.542  23.354
  108    H    ASP  15           H        ASP  15  -5.486   7.828  19.210
  109    HA   ASP  15           HA       ASP  15  -6.726  10.355  19.670
  110    HB2  ASP  15           2HB      ASP  15  -6.509   9.453  17.445
  111    HB3  ASP  15           3HB      ASP  15  -7.469   8.032  17.870
  112    H    SER  16           H        SER  16  -7.379  10.173  21.890
  113    HA   SER  16           HA       SER  16 -10.207   9.727  22.170
  114    HG   SER  16           HG       SER  16  -9.521   7.455  21.607
  115    HB2  SER  16           2HB      SER  16  -8.194   7.955  23.613
  116    HB3  SER  16           3HB      SER  16  -9.816   8.273  24.266
  117    H    ASP  17           H        ASP  17 -10.644  10.253  24.724
  118    HA   ASP  17           HA       ASP  17  -8.761  12.218  25.827
  119    HB2  ASP  17           2HB      ASP  17 -10.104  13.569  24.266
  120    HB3  ASP  17           3HB      ASP  17 -11.595  12.913  24.947
  121    H    GLY  18           H        GLY  18  -9.436  12.797  28.050
  122    HA2  GLY  18           2HA      GLY  18 -10.258  12.232  30.167
  123    HA3  GLY  18           3HA      GLY  18 -11.392  11.086  29.431
  124    H    VAL  19           H        VAL  19 -10.607   9.577  31.204
  125    HA   VAL  19           HA       VAL  19  -7.927   8.429  30.882
  126    HB   VAL  19           HB       VAL  19 -10.382   7.320  32.331
  127   HG11  VAL  19          1HG1      VAL  19  -8.710   5.970  33.576
  128   HG12  VAL  19          2HG1      VAL  19  -8.680   5.601  31.849
  129   HG13  VAL  19          3HG1      VAL  19  -7.413   6.636  32.552
  130   HG21  VAL  19          3HG2      VAL  19  -9.371   8.140  34.414
  131   HG22  VAL  19          1HG2      VAL  19  -8.061   8.912  33.497
  132   HG23  VAL  19          2HG2      VAL  19  -9.734   9.491  33.343
  133    H    PHE  20           H        PHE  20  -7.490   7.110  29.086
  134    HA   PHE  20           HA       PHE  20  -9.814   5.697  27.865
  135    HD1  PHE  20           HD1      PHE  20  -6.572   5.861  25.329
  136    HD2  PHE  20           HD2      PHE  20  -8.052   9.627  26.791
  137    HE1  PHE  20           HE1      PHE  20  -4.451   6.936  24.694
  138    HE2  PHE  20           HE2      PHE  20  -5.930  10.714  26.147
  139    HZ   PHE  20           HZ       PHE  20  -4.114   9.380  25.105
  140    HB2  PHE  20           2HB      PHE  20  -9.091   6.433  25.666
  141    HB3  PHE  20           3HB      PHE  20  -9.507   7.777  26.710
  142    H    LYS  21           H        LYS  21  -7.445   4.725  29.405
  143    HA   LYS  21           HA       LYS  21  -5.946   2.996  29.470
  144    HB2  LYS  21           2HB      LYS  21  -7.572   1.816  27.201
  145    HB3  LYS  21           3HB      LYS  21  -6.425   0.958  28.215
  146    HG2  LYS  21           2HG      LYS  21  -7.874   1.464  30.215
  147    HG3  LYS  21           3HG      LYS  21  -9.059   2.191  29.108
  148    HD2  LYS  21           2HD      LYS  21  -9.126  -0.025  27.851
  149    HD3  LYS  21           3HD      LYS  21  -8.063  -0.692  29.093
  150    HE2  LYS  21           2HE      LYS  21 -10.245  -1.360  29.711
  151    HE3  LYS  21           3HE      LYS  21  -9.816  -0.062  30.826
  152    HZ1  LYS  21           3HZ      LYS  21 -11.505   0.239  28.395
  153    HZ2  LYS  21           1HZ      LYS  21 -12.071   0.133  29.928
  154    HZ3  LYS  21           2HZ      LYS  21 -11.178   1.434  29.480
  155    H    TYR  22           H        TYR  22  -4.051   1.918  28.416
  156    HA   TYR  22           HA       TYR  22  -3.631   2.352  25.643
  157    HD1  TYR  22           HD2      TYR  22  -1.508   3.749  29.132
  158    HD2  TYR  22           HD1      TYR  22   0.048   3.493  25.134
  159    HE1  TYR  22           HE2      TYR  22   0.747   3.431  30.055
  160    HE2  TYR  22           HE1      TYR  22   2.345   3.240  26.047
  161    HH   TYR  22           HH       TYR  22   3.666   3.352  27.925
  162    HB2  TYR  22           2HB      TYR  22  -2.231   4.090  25.504
  163    HB3  TYR  22           3HB      TYR  22  -2.800   4.569  27.076
  164    H    VAL  23           H        VAL  23  -1.671   1.265  24.904
  165    HA   VAL  23           HA       VAL  23  -0.371  -0.519  26.848
  166    HB   VAL  23           HB       VAL  23  -2.319  -1.745  26.077
  167   HG11  VAL  23          1HG1      VAL  23  -2.780  -0.715  23.943
  168   HG12  VAL  23          2HG1      VAL  23  -1.280  -1.351  23.255
  169   HG13  VAL  23          3HG1      VAL  23  -2.591  -2.460  23.726
  170   HG21  VAL  23          3HG2      VAL  23  -1.270  -3.779  25.227
  171   HG22  VAL  23          1HG2      VAL  23   0.225  -2.892  24.885
  172   HG23  VAL  23          2HG2      VAL  23  -0.352  -3.065  26.556
  173    H    LEU  24           H        LEU  24   1.673  -1.249  26.137
  174    HA   LEU  24           HA       LEU  24   2.905   0.410  23.974
  175    HG   LEU  24           HG       LEU  24   5.786  -0.863  24.892
  176    HB2  LEU  24           2HB      LEU  24   3.746   0.997  26.207
  177    HB3  LEU  24           3HB      LEU  24   4.014  -0.704  26.591
  178   HD11  LEU  24          1HD1      LEU  24   5.104   2.047  24.318
  179   HD12  LEU  24          2HD1      LEU  24   6.664   1.319  23.889
  180   HD13  LEU  24          3HD1      LEU  24   5.175   0.687  23.182
  181   HD21  LEU  24          3HD2      LEU  24   7.449   0.530  26.019
  182   HD22  LEU  24          1HD2      LEU  24   6.173   1.532  26.743
  183   HD23  LEU  24          2HD2      LEU  24   6.330  -0.171  27.194
  184    H    ILE  25           H        ILE  25   3.396  -0.855  22.217
  185    HA   ILE  25           HA       ILE  25   3.592  -3.804  22.673
  186    HB   ILE  25           HB       ILE  25   2.252  -2.355  20.361
  187   HG12  ILE  25          2HG1      ILE  25   1.031  -3.744  22.781
  188   HG13  ILE  25          3HG1      ILE  25   0.890  -2.037  22.363
  189   HG21  ILE  25          1HG2      ILE  25   1.510  -4.561  19.665
  190   HG22  ILE  25          2HG2      ILE  25   3.246  -4.589  19.822
  191   HG23  ILE  25          3HG2      ILE  25   2.245  -5.310  21.107
  192   HD11  ILE  25          3HD1      ILE  25  -0.392  -2.650  20.318
  193   HD12  ILE  25          1HD1      ILE  25  -0.366  -4.353  20.838
  194   HD13  ILE  25          2HD1      ILE  25  -1.186  -3.152  21.820
  195    H    ARG  26           H        ARG  26   5.354  -4.737  21.905
  196    HA   ARG  26           HA       ARG  26   7.301  -3.232  20.273
  197    HE   ARG  26           HE       ARG  26  10.536  -3.446  20.223
  198    HB2  ARG  26           2HB      ARG  26   8.396  -4.547  21.902
  199    HB3  ARG  26           3HB      ARG  26   7.201  -5.830  21.824
  200    HG2  ARG  26           2HG      ARG  26   9.257  -6.684  21.029
  201    HG3  ARG  26           3HG      ARG  26   8.108  -6.642  19.709
  202    HD2  ARG  26           2HD      ARG  26  10.300  -6.032  18.926
  203    HD3  ARG  26           3HD      ARG  26   9.222  -4.655  18.767
  204   HH11  ARG  26          1HH2      ARG  26  11.499  -6.870  20.605
  205   HH12  ARG  26          2HH2      ARG  26  12.946  -6.467  21.459
  206   HH21  ARG  26          1HH1      ARG  26  12.323  -2.960  21.276
  207   HH22  ARG  26          2HH1      ARG  26  13.446  -4.157  21.897
  208    H    VAL  27           H        VAL  27   7.335  -3.525  18.066
  209    HA   VAL  27           HA       VAL  27   5.501  -5.538  16.894
  210    HB   VAL  27           HB       VAL  27   4.459  -3.415  16.669
  211   HG11  VAL  27          1HG1      VAL  27   5.464  -1.485  15.491
  212   HG12  VAL  27          2HG1      VAL  27   6.291  -1.841  17.009
  213   HG13  VAL  27          3HG1      VAL  27   7.032  -2.317  15.465
  214   HG21  VAL  27          3HG2      VAL  27   4.232  -3.216  14.269
  215   HG22  VAL  27          1HG2      VAL  27   5.776  -4.050  13.997
  216   HG23  VAL  27          2HG2      VAL  27   4.404  -4.927  14.705
  217    H    HIS  28           H        HIS  28   6.368  -6.764  15.320
  218    HA   HIS  28           HA       HIS  28   9.273  -6.461  14.657
  219    HD1  HIS  28           HD1      HIS  28  10.735  -8.046  16.722
  220    HD2  HIS  28           HD2      HIS  28   6.788  -9.435  17.179
  221    HE1  HIS  28           HE1      HIS  28  10.512  -8.846  19.151
  222    HB2  HIS  28           2HB      HIS  28   7.549  -8.978  14.728
  223    HB3  HIS  28           3HB      HIS  28   9.282  -8.892  14.446
  224    H    SER  29           H        SER  29   9.777  -6.887  12.412
  225    HA   SER  29           HA       SER  29   7.413  -6.547  10.635
  226    HG   SER  29           HG       SER  29  10.805  -5.607  11.307
  227    HB2  SER  29           2HB      SER  29   9.015  -5.474   9.097
  228    HB3  SER  29           3HB      SER  29   8.855  -4.661  10.658
  229    H    ALA  30           H        ALA  30   7.025  -7.686   8.847
  230    HA   ALA  30           HA       ALA  30   9.039  -9.276   7.521
  231    HB1  ALA  30           3HB      ALA  30   8.263 -10.958   9.112
  232    HB2  ALA  30           1HB      ALA  30   6.564 -10.634   8.667
  233    HB3  ALA  30           2HB      ALA  30   7.689 -11.333   7.473
  234    HA   PRO  31           HA       PRO  31   5.946  -6.241   5.695
  235    HB2  PRO  31           2HB      PRO  31   8.097  -6.297   3.576
  236    HB3  PRO  31           3HB      PRO  31   7.115  -4.926   4.163
  237    HG2  PRO  31           2HG      PRO  31   9.642  -5.286   5.088
  238    HG3  PRO  31           3HG      PRO  31   8.325  -4.820   6.213
  239    HD2  PRO  31           2HD      PRO  31   9.549  -7.548   5.792
  240    HD3  PRO  31           3HD      PRO  31   9.019  -6.760   7.290
  241    H    ARG  32           H        ARG  32   4.215  -6.664   4.486
  242    HA   ARG  32           HA       ARG  32   2.724  -7.803   3.301
  243    HE   ARG  32           HE       ARG  32   1.464  -5.821   0.758
  244    HB2  ARG  32           2HB      ARG  32   4.005  -6.531   1.600
  245    HB3  ARG  32           3HB      ARG  32   4.992  -7.947   1.273
  246    HG2  ARG  32           2HG      ARG  32   3.201  -7.396  -0.409
  247    HG3  ARG  32           3HG      ARG  32   3.224  -9.055   0.148
  248    HD2  ARG  32           2HD      ARG  32   0.934  -8.146  -0.077
  249    HD3  ARG  32           3HD      ARG  32   1.298  -8.708   1.550
  250   HH11  ARG  32          1HH2      ARG  32   0.029  -8.283   2.909
  251   HH12  ARG  32          2HH2      ARG  32  -0.496  -7.092   4.071
  252   HH21  ARG  32          1HH1      ARG  32   0.641  -4.293   2.326
  253   HH22  ARG  32          2HH1      ARG  32  -0.195  -4.906   3.722
  254    H    SER  33           H        SER  33   4.478  -9.472   5.106
  255    HA   SER  33           HA       SER  33   4.890 -11.565   5.669
  256    HG   SER  33           HG       SER  33   1.355 -11.946   5.909
  257    HB2  SER  33           2HB      SER  33   2.498 -12.307   3.951
  258    HB3  SER  33           3HB      SER  33   3.168 -13.219   5.314
  259    H    GLY  34           H        GLY  34   6.340 -10.501   3.386
  260    HA2  GLY  34           2HA      GLY  34   7.299 -12.997   2.146
  261    HA3  GLY  34           3HA      GLY  34   6.519 -11.808   1.089
  262    H    ALA  35           H        ALA  35   8.427 -10.756   3.896
  263    HA   ALA  35           HA       ALA  35  10.871 -10.460   2.312
  264    HB1  ALA  35           3HB      ALA  35   9.740  -8.326   1.885
  265    HB2  ALA  35           1HB      ALA  35   9.467  -8.103   3.624
  266    HB3  ALA  35           2HB      ALA  35  11.121  -8.070   2.976
  267    HA   PRO  36           HA       PRO  36  11.916 -11.831   6.430
  268    HB2  PRO  36           2HB      PRO  36  14.493 -12.598   6.049
  269    HB3  PRO  36           3HB      PRO  36  13.216 -13.279   5.001
  270    HG2  PRO  36           2HG      PRO  36  14.898 -10.787   4.421
  271    HG3  PRO  36           3HG      PRO  36  14.812 -12.284   3.424
  272    HD2  PRO  36           2HD      PRO  36  13.205 -10.160   2.923
  273    HD3  PRO  36           3HD      PRO  36  12.570 -11.831   2.808
  274    H    ALA  37           H        ALA  37  11.854  -8.970   6.179
  275    HA   ALA  37           HA       ALA  37  14.297  -7.654   6.660
  276    HB1  ALA  37           3HB      ALA  37  12.905  -5.731   7.257
  277    HB2  ALA  37           1HB      ALA  37  12.250  -6.586   5.841
  278    HB3  ALA  37           2HB      ALA  37  11.487  -6.789   7.443
  279    H    ALA  38           H        ALA  38  11.828  -8.687   9.055
  280    HA   ALA  38           HA       ALA  38  11.838  -8.978  11.236
  281    HB1  ALA  38           3HB      ALA  38  13.067 -10.947  10.397
  282    HB2  ALA  38           1HB      ALA  38  14.607 -10.114  10.722
  283    HB3  ALA  38           2HB      ALA  38  13.515 -10.533  12.061
  284    H    GLU  39           H        GLU  39  12.695  -6.308  10.567
  285    HA   GLU  39           HA       GLU  39  14.472  -5.521  12.807
  286    HB2  GLU  39           2HB      GLU  39  12.825  -3.902  10.799
  287    HB3  GLU  39           3HB      GLU  39  13.798  -3.210  12.104
  288    HG2  GLU  39           2HG      GLU  39  15.830  -4.322  11.142
  289    HG3  GLU  39           3HG      GLU  39  14.852  -4.878   9.783
  290    H    SER  40           H        SER  40  13.423  -4.069  14.537
  291    HA   SER  40           HA       SER  40  10.518  -4.398  14.788
  292    HG   SER  40           HG       SER  40  12.667  -6.701  15.470
  293    HB2  SER  40           2HB      SER  40  12.251  -5.177  17.139
  294    HB3  SER  40           3HB      SER  40  10.533  -5.457  16.879
  295    H    LYS  41           H        LYS  41   9.609  -2.968  16.438
  296    HA   LYS  41           HA       LYS  41  11.337  -1.033  17.744
  297    HB2  LYS  41           2HB      LYS  41  10.424   0.960  16.880
  298    HB3  LYS  41           3HB      LYS  41  10.965   0.035  15.493
  299    HG2  LYS  41           2HG      LYS  41   8.672  -0.520  14.876
  300    HG3  LYS  41           3HG      LYS  41   8.043   0.135  16.397
  301    HD2  LYS  41           2HD      LYS  41   8.885   2.383  15.794
  302    HD3  LYS  41           3HD      LYS  41   9.427   1.760  14.224
  303    HE2  LYS  41           2HE      LYS  41   7.129   1.255  13.573
  304    HE3  LYS  41           3HE      LYS  41   6.547   1.606  15.208
  305    HZ1  LYS  41           3HZ      LYS  41   7.728   3.586  13.377
  306    HZ2  LYS  41           1HZ      LYS  41   6.152   3.461  13.688
  307    HZ3  LYS  41           2HZ      LYS  41   7.203   3.899  14.913
  308    H    GLU  42           H        GLU  42   9.524   0.663  18.852
  309    HA   GLU  42           HA       GLU  42   7.385  -1.092  19.968
  310    HB2  GLU  42           2HB      GLU  42   8.862   1.150  21.409
  311    HB3  GLU  42           3HB      GLU  42   7.498   0.214  22.013
  312    HG2  GLU  42           2HG      GLU  42   9.349  -0.729  23.069
  313    HG3  GLU  42           3HG      GLU  42   8.915  -1.874  21.802
  314    H    ILE  43           H        ILE  43   5.373  -0.149  20.173
  315    HA   ILE  43           HA       ILE  43   5.000   2.615  19.136
  316    HB   ILE  43           HB       ILE  43   2.939   1.780  17.986
  317   HG12  ILE  43          2HG1      ILE  43   4.157  -1.000  18.237
  318   HG13  ILE  43          3HG1      ILE  43   2.796  -0.430  19.203
  319   HG21  ILE  43          1HG2      ILE  43   5.074   2.327  16.831
  320   HG22  ILE  43          2HG2      ILE  43   5.535   0.615  16.917
  321   HG23  ILE  43          3HG2      ILE  43   4.115   1.117  15.971
  322   HD11  ILE  43          3HD1      ILE  43   2.801  -0.769  16.177
  323   HD12  ILE  43          1HD1      ILE  43   1.996  -1.785  17.383
  324   HD13  ILE  43          2HD1      ILE  43   1.459  -0.114  17.148
  325    H    VAL  44           H        VAL  44   3.283   3.748  19.969
  326    HA   VAL  44           HA       VAL  44   2.205   2.721  22.562
  327    HB   VAL  44           HB       VAL  44   2.497   5.564  21.486
  328   HG11  VAL  44          1HG1      VAL  44   1.977   4.646  24.336
  329   HG12  VAL  44          2HG1      VAL  44   2.103   6.308  23.761
  330   HG13  VAL  44          3HG1      VAL  44   0.737   5.315  23.253
  331   HG21  VAL  44          3HG2      VAL  44   4.367   5.841  23.058
  332   HG22  VAL  44          1HG2      VAL  44   4.277   4.114  23.483
  333   HG23  VAL  44          2HG2      VAL  44   4.742   4.619  21.844
  334    H    ARG  45           H        ARG  45  -0.004   2.302  22.647
  335    HA   ARG  45           HA       ARG  45  -1.793   3.371  20.492
  336    HE   ARG  45           HE       ARG  45  -0.503   3.187  18.897
  337    HB2  ARG  45           2HB      ARG  45  -1.653   0.540  21.640
  338    HB3  ARG  45           3HB      ARG  45  -2.820   1.098  20.456
  339    HG2  ARG  45           2HG      ARG  45   0.190   0.894  19.928
  340    HG3  ARG  45           3HG      ARG  45  -0.959  -0.373  19.625
  341    HD2  ARG  45           2HD      ARG  45  -0.849   0.570  17.535
  342    HD3  ARG  45           3HD      ARG  45  -2.253   1.434  18.180
  343   HH11  ARG  45          1HH2      ARG  45  -0.251   1.504  15.745
  344   HH12  ARG  45          2HH2      ARG  45   1.121   2.467  15.275
  345   HH21  ARG  45          1HH1      ARG  45   1.264   4.273  18.282
  346   HH22  ARG  45          2HH1      ARG  45   1.949   4.067  16.677
  347    H    GLY  46           H        GLY  46  -3.856   4.014  21.384
  348    HA2  GLY  46           2HA      GLY  46  -4.842   2.704  23.751
  349    HA3  GLY  46           3HA      GLY  46  -4.233   4.317  24.134
  350    H    TYR  47           H        TYR  47  -7.014   2.718  23.502
  351    HA   TYR  47           HA       TYR  47  -8.315   5.171  22.475
  352    HD1  TYR  47           HD2      TYR  47  -7.854   5.307  19.344
  353    HD2  TYR  47           HD1      TYR  47  -7.027   1.366  20.875
  354    HE1  TYR  47           HE2      TYR  47  -6.100   5.015  17.624
  355    HE2  TYR  47           HE1      TYR  47  -5.247   1.060  19.161
  356    HH   TYR  47           HH       TYR  47  -4.479   3.604  16.744
  357    HB2  TYR  47           2HB      TYR  47  -9.084   2.471  21.399
  358    HB3  TYR  47           3HB      TYR  47  -9.492   4.064  20.782
  359    H    LYS  48           H        LYS  48 -10.253   5.573  23.419
  360    HA   LYS  48           HA       LYS  48 -10.792   4.237  25.834
  361    HB2  LYS  48           2HB      LYS  48 -11.265   6.666  25.191
  362    HB3  LYS  48           3HB      LYS  48 -12.725   6.103  24.386
  363    HG2  LYS  48           2HG      LYS  48 -13.730   5.442  26.446
  364    HG3  LYS  48           3HG      LYS  48 -12.178   5.376  27.286
  365    HD2  LYS  48           2HD      LYS  48 -13.453   7.286  28.053
  366    HD3  LYS  48           3HD      LYS  48 -11.972   7.804  27.242
  367    HE2  LYS  48           2HE      LYS  48 -13.306   8.262  25.165
  368    HE3  LYS  48           3HE      LYS  48 -14.781   7.808  26.036
  369    HZ1  LYS  48           3HZ      LYS  48 -14.370   9.645  27.554
  370    HZ2  LYS  48           1HZ      LYS  48 -12.961  10.029  26.793
  371    HZ3  LYS  48           2HZ      LYS  48 -14.399  10.213  26.019
  372    H    TRP  49           H        TRP  49 -12.143   3.532  22.650
  373    HA   TRP  49           HA       TRP  49 -14.538   2.288  23.574
  374    HD1  TRP  49           HD1      TRP  49 -12.945   4.031  19.760
  375    HE1  TRP  49           HE1      TRP  49 -10.815   3.468  18.475
  376    HE3  TRP  49           HE3      TRP  49 -12.182  -0.771  21.447
  377    HZ2  TRP  49           HZ2      TRP  49  -8.856   1.378  18.444
  378    HZ3  TRP  49           HZ3      TRP  49 -10.088  -1.947  20.895
  379    HH2  TRP  49           HH2      TRP  49  -8.379  -0.859  19.460
  380    HB2  TRP  49           2HB      TRP  49 -14.497   1.140  21.325
  381    HB3  TRP  49           3HB      TRP  49 -14.524   2.889  21.335
  382    H    ALA  50           H        ALA  50 -11.216   1.165  23.766
  383    HA   ALA  50           HA       ALA  50 -11.770  -1.633  23.671
  384    HB1  ALA  50           3HB      ALA  50  -9.526  -0.737  23.342
  385    HB2  ALA  50           1HB      ALA  50  -9.500  -0.092  25.005
  386    HB3  ALA  50           2HB      ALA  50  -9.550  -1.843  24.721
  387    H    GLU  51           H        GLU  51 -12.970  -2.768  25.077
  388    HA   GLU  51           HA       GLU  51 -13.792  -1.818  27.648
  389    HB2  GLU  51           2HB      GLU  51 -13.765  -4.633  26.474
  390    HB3  GLU  51           3HB      GLU  51 -14.565  -4.173  27.985
  391    HG2  GLU  51           2HG      GLU  51 -15.966  -2.530  26.727
  392    HG3  GLU  51           3HG      GLU  51 -15.229  -3.074  25.219
  393    H    TYR  52           H        TYR  52 -11.067  -3.772  26.554
  394    HA   TYR  52           HA       TYR  52  -9.692  -3.534  29.138
  395    HD1  TYR  52           HD2      TYR  52 -10.087  -5.338  31.345
  396    HD2  TYR  52           HD1      TYR  52 -12.478  -6.601  27.980
  397    HE1  TYR  52           HE2      TYR  52 -11.973  -5.834  32.874
  398    HE2  TYR  52           HE1      TYR  52 -14.365  -7.097  29.496
  399    HH   TYR  52           HH       TYR  52 -15.117  -7.097  31.699
  400    HB2  TYR  52           2HB      TYR  52 -10.111  -6.202  27.708
  401    HB3  TYR  52           3HB      TYR  52  -9.072  -5.936  29.097
  402    H    HIS  53           H        HIS  53  -7.342  -3.891  28.781
  403    HA   HIS  53           HA       HIS  53  -6.400  -2.654  26.478
  404    HD2  HIS  53           HD2      HIS  53  -4.102  -0.828  28.037
  405    HE1  HIS  53           HE1      HIS  53  -6.037  -1.264  31.805
  406    HE2  HIS  53           HE2      HIS  53  -4.634   0.301  30.333
  407    HB2  HIS  53           2HB      HIS  53  -4.895  -4.524  28.353
  408    HB3  HIS  53           3HB      HIS  53  -4.169  -3.338  27.267
  409    H    ALA  54           H        ALA  54  -6.960  -6.109  26.977
  410    HA   ALA  54           HA       ALA  54  -5.463  -7.144  24.827
  411    HB1  ALA  54           3HB      ALA  54  -7.016  -9.051  24.949
  412    HB2  ALA  54           1HB      ALA  54  -6.507  -8.543  26.571
  413    HB3  ALA  54           2HB      ALA  54  -8.125  -8.105  25.961
  414    H    ASP  55           H        ASP  55  -8.532  -5.314  24.783
  415    HA   ASP  55           HA       ASP  55  -9.238  -6.164  22.097
  416    HB2  ASP  55           2HB      ASP  55 -10.805  -5.232  23.928
  417    HB3  ASP  55           3HB      ASP  55 -10.161  -3.652  23.518
  418    H    ILE  56           H        ILE  56  -7.236  -3.611  23.526
  419    HA   ILE  56           HA       ILE  56  -6.934  -2.054  21.097
  420    HB   ILE  56           HB       ILE  56  -4.937  -2.254  23.396
  421   HG12  ILE  56          2HG1      ILE  56  -7.182  -0.213  23.196
  422   HG13  ILE  56          3HG1      ILE  56  -7.215  -1.630  24.256
  423   HG21  ILE  56          1HG2      ILE  56  -4.016  -1.217  21.410
  424   HG22  ILE  56          2HG2      ILE  56  -5.457  -0.210  21.199
  425   HG23  ILE  56          3HG2      ILE  56  -4.352   0.089  22.543
  426   HD11  ILE  56          3HD1      ILE  56  -5.166  -0.839  25.412
  427   HD12  ILE  56          1HD1      ILE  56  -5.246   0.664  24.469
  428   HD13  ILE  56          2HD1      ILE  56  -6.560   0.247  25.572
  429    H    TYR  57           H        TYR  57  -5.006  -4.600  22.798
  430    HA   TYR  57           HA       TYR  57  -3.014  -4.936  20.837
  431    HD1  TYR  57           HD2      TYR  57  -0.863  -6.624  21.244
  432    HD2  TYR  57           HD1      TYR  57  -4.375  -9.030  21.938
  433    HE1  TYR  57           HE2      TYR  57   0.299  -8.587  20.278
  434    HE2  TYR  57           HE1      TYR  57  -3.236 -10.983  20.939
  435    HH   TYR  57           HH       TYR  57  -1.279 -11.790  19.955
  436    HB2  TYR  57           2HB      TYR  57  -2.750  -5.978  22.961
  437    HB3  TYR  57           3HB      TYR  57  -4.270  -6.843  22.825
  438    H    ASP  58           H        ASP  58  -6.273  -6.494  21.020
  439    HA   ASP  58           HA       ASP  58  -5.903  -8.200  18.800
  440    HB2  ASP  58           2HB      ASP  58  -7.736  -8.487  20.374
  441    HB3  ASP  58           3HB      ASP  58  -8.451  -6.950  19.878
  442    H    LYS  59           H        LYS  59  -7.294  -4.877  18.920
  443    HA   LYS  59           HA       LYS  59  -7.859  -4.644  16.140
  444    HB2  LYS  59           2HB      LYS  59  -8.735  -3.152  17.854
  445    HB3  LYS  59           3HB      LYS  59  -7.135  -2.554  18.253
  446    HG2  LYS  59           2HG      LYS  59  -8.245  -2.202  15.447
  447    HG3  LYS  59           3HG      LYS  59  -8.784  -1.165  16.766
  448    HD2  LYS  59           2HD      LYS  59  -6.407  -0.505  17.214
  449    HD3  LYS  59           3HD      LYS  59  -5.919  -1.416  15.766
  450    HE2  LYS  59           2HE      LYS  59  -7.476  -0.024  14.399
  451    HE3  LYS  59           3HE      LYS  59  -7.892   0.907  15.843
  452    HZ1  LYS  59           3HZ      LYS  59  -6.215   2.029  14.541
  453    HZ2  LYS  59           1HZ      LYS  59  -5.554   1.615  15.977
  454    HZ3  LYS  59           2HZ      LYS  59  -5.195   0.760  14.613
  455    H    VAL  60           H        VAL  60  -4.930  -3.765  18.020
  456    HA   VAL  60           HA       VAL  60  -3.598  -2.641  15.750
  457    HB   VAL  60           HB       VAL  60  -2.642  -3.509  18.506
  458   HG11  VAL  60          1HG1      VAL  60  -1.179  -1.837  16.410
  459   HG12  VAL  60          2HG1      VAL  60  -0.669  -2.029  18.099
  460   HG13  VAL  60          3HG1      VAL  60  -0.678  -3.421  17.031
  461   HG21  VAL  60          3HG2      VAL  60  -4.386  -1.619  18.298
  462   HG22  VAL  60          1HG2      VAL  60  -2.894  -1.189  19.086
  463   HG23  VAL  60          2HG2      VAL  60  -3.176  -0.711  17.387
  464    H    SER  61           H        SER  61  -3.230  -5.888  17.366
  465    HA   SER  61           HA       SER  61  -1.191  -6.758  15.578
  466    HG   SER  61           HG       SER  61  -3.646  -7.709  18.042
  467    HB2  SER  61           2HB      SER  61  -1.837  -9.052  16.314
  468    HB3  SER  61           3HB      SER  61  -1.493  -7.925  17.633
  469    H    GLY  62           H        GLY  62  -4.755  -6.704  15.220
  470    HA2  GLY  62           2HA      GLY  62  -4.943  -8.225  12.825
  471    HA3  GLY  62           3HA      GLY  62  -6.013  -6.901  13.330
  472    H    ASP  63           H        ASP  63  -4.412  -4.667  13.329
  473    HA   ASP  63           HA       ASP  63  -4.194  -4.073  10.551
  474    HB2  ASP  63           2HB      ASP  63  -4.622  -2.372  12.313
  475    HB3  ASP  63           3HB      ASP  63  -2.949  -2.532  12.857
  476    H    MET  64           H        MET  64  -1.633  -4.784  13.016
  477    HA   MET  64           HA       MET  64   0.574  -4.417  11.298
  478    HB2  MET  64           2HB      MET  64   0.092  -5.991  13.831
  479    HB3  MET  64           3HB      MET  64   1.542  -6.315  12.897
  480    HG2  MET  64           2HG      MET  64   2.144  -4.733  14.501
  481    HG3  MET  64           3HG      MET  64   2.140  -3.898  12.954
  482    HE1  MET  64           3HE      MET  64   0.140  -2.118  12.289
  483    HE2  MET  64           1HE      MET  64  -0.077  -0.926  13.596
  484    HE3  MET  64           2HE      MET  64   1.557  -1.429  13.119
  485    H    GLN  65           H        GLN  65  -1.513  -7.333  11.755
  486    HA   GLN  65           HA       GLN  65   0.101  -9.000  10.068
  487    HB2  GLN  65           2HB      GLN  65  -2.799  -9.059  10.946
  488    HB3  GLN  65           3HB      GLN  65  -2.157 -10.251   9.812
  489    HG2  GLN  65           2HG      GLN  65  -0.493 -11.018  11.371
  490    HG3  GLN  65           3HG      GLN  65  -0.817  -9.698  12.489
  491   HE21  GLN  65          2HE2      GLN  65  -2.932  -9.626  13.549
  492   HE22  GLN  65          1HE2      GLN  65  -3.794 -11.126  13.879
  493    H    LYS  66           H        LYS  66  -2.500  -6.636   9.301
  494    HA   LYS  66           HA       LYS  66  -2.536  -7.292   6.497
  495    HB2  LYS  66           2HB      LYS  66  -3.316  -4.702   7.910
  496    HB3  LYS  66           3HB      LYS  66  -3.575  -5.044   6.202
  497    HG2  LYS  66           2HG      LYS  66  -5.043  -6.937   6.738
  498    HG3  LYS  66           3HG      LYS  66  -4.717  -6.746   8.458
  499    HD2  LYS  66           2HD      LYS  66  -6.882  -5.791   7.982
  500    HD3  LYS  66           3HD      LYS  66  -5.762  -4.526   8.467
  501    HE2  LYS  66           2HE      LYS  66  -7.093  -3.682   6.661
  502    HE3  LYS  66           3HE      LYS  66  -5.446  -3.885   6.072
  503    HZ1  LYS  66           3HZ      LYS  66  -7.693  -5.758   5.575
  504    HZ2  LYS  66           1HZ      LYS  66  -7.078  -4.696   4.493
  505    HZ3  LYS  66           2HZ      LYS  66  -6.166  -5.954   4.999
  506    H    GLN  67           H        GLN  67  -0.370  -5.244   8.450
  507    HA   GLN  67           HA       GLN  67   0.901  -4.063   6.117
  508    HB2  GLN  67           2HB      GLN  67   2.119  -4.380   8.891
  509    HB3  GLN  67           3HB      GLN  67   2.606  -3.266   7.633
  510    HG2  GLN  67           2HG      GLN  67   0.114  -3.145   9.339
  511    HG3  GLN  67           3HG      GLN  67   1.476  -2.057   9.369
  512   HE21  GLN  67          2HE2      GLN  67  -1.303  -1.291   9.094
  513   HE22  GLN  67          1HE2      GLN  67  -1.459  -0.514   7.529
  514    H    GLY  68           H        GLY  68   1.482  -6.852   8.196
  515    HA2  GLY  68           2HA      GLY  68   2.667  -8.856   7.454
  516    HA3  GLY  68           3HA      GLY  68   3.708  -7.833   6.440
  517    H    CYS  69           H        CYS  69   2.494  -7.815   9.845
  518    HA   CYS  69           HA       CYS  69   5.208  -7.705  10.949
  519    HG   CYS  69           HG       CYS  69   4.955  -5.591   9.204
  520    HB2  CYS  69           2HB      CYS  69   3.051  -5.565  11.261
  521    HB3  CYS  69           3HB      CYS  69   4.369  -5.768  12.426
  522    H    ASP  70           H        ASP  70   4.955  -7.853  13.417
  523    HA   ASP  70           HA       ASP  70   2.531  -9.320  14.317
  524    HB2  ASP  70           2HB      ASP  70   4.126 -11.037  13.551
  525    HB3  ASP  70           3HB      ASP  70   5.401 -10.314  14.538
  526    H    CYS  71           H        CYS  71   2.599  -9.495  16.787
  527    HA   CYS  71           HA       CYS  71   3.843  -7.022  17.933
  528    HG   CYS  71           HG       CYS  71   0.190  -5.627  17.233
  529    HB2  CYS  71           2HB      CYS  71   0.965  -8.016  18.044
  530    HB3  CYS  71           3HB      CYS  71   1.600  -6.746  19.091
  531    H    GLU  72           H        GLU  72   4.211  -7.014  20.163
  532    HA   GLU  72           HA       GLU  72   3.220  -9.195  21.869
  533    HB2  GLU  72           2HB      GLU  72   5.421  -9.991  21.165
  534    HB3  GLU  72           3HB      GLU  72   6.162  -8.423  21.529
  535    HG2  GLU  72           2HG      GLU  72   5.707  -8.693  23.902
  536    HG3  GLU  72           3HG      GLU  72   4.756 -10.150  23.604
  537    H    CYS  73           H        CYS  73   2.221  -8.060  23.542
  538    HA   CYS  73           HA       CYS  73   2.692  -5.239  23.979
  539    HG   CYS  73           HG       CYS  73  -1.033  -6.406  24.781
  540    HB2  CYS  73           2HB      CYS  73   1.248  -7.314  25.676
  541    HB3  CYS  73           3HB      CYS  73   1.197  -5.557  25.923
  542    H    LEU  74           H        LEU  74   4.298  -4.349  25.153
  543    HA   LEU  74           HA       LEU  74   6.096  -6.044  26.772
  544    HG   LEU  74           HG       LEU  74   6.666  -4.212  24.144
  545    HB2  LEU  74           2HB      LEU  74   6.112  -3.042  26.246
  546    HB3  LEU  74           3HB      LEU  74   7.354  -3.960  27.096
  547   HD11  LEU  74          1HD1      LEU  74   9.115  -3.118  25.601
  548   HD12  LEU  74          2HD1      LEU  74   8.938  -3.273  23.841
  549   HD13  LEU  74          3HD1      LEU  74   7.892  -2.164  24.735
  550   HD21  LEU  74          3HD2      LEU  74   7.360  -6.413  24.924
  551   HD22  LEU  74          1HD2      LEU  74   8.708  -5.687  24.056
  552   HD23  LEU  74          2HD2      LEU  74   8.724  -5.713  25.830
  553    H    GLY  75           H        GLY  75   3.365  -3.875  27.185
  554    HA2  GLY  75           2HA      GLY  75   2.604  -4.666  29.709
  555    HA3  GLY  75           3HA      GLY  75   3.705  -3.321  29.983
  556    H    GLY  76           H        GLY  76   1.192  -2.742  30.769
  557    HA2  GLY  76           2HA      GLY  76   0.412  -0.697  28.786
  558    HA3  GLY  76           3HA      GLY  76  -0.840  -1.832  29.260
  559    H    GLY  77           H        GLY  77  -1.512   0.593  29.785
  560    HA2  GLY  77           2HA      GLY  77  -1.694   0.931  32.619
  561    HA3  GLY  77           3HA      GLY  77  -0.560   2.104  31.912
  562    H    ARG  78           H        ARG  78  -1.937   3.953  32.117
  563    HA   ARG  78           HA       ARG  78  -3.823   4.149  29.915
  564    HE   ARG  78           HE       ARG  78  -5.725   2.032  33.296
  565    HB2  ARG  78           2HB      ARG  78  -5.739   4.949  31.206
  566    HB3  ARG  78           3HB      ARG  78  -5.319   3.296  31.618
  567    HG2  ARG  78           2HG      ARG  78  -3.999   4.455  33.645
  568    HG3  ARG  78           3HG      ARG  78  -5.080   5.803  33.273
  569    HD2  ARG  78           2HD      ARG  78  -6.217   4.507  34.914
  570    HD3  ARG  78           3HD      ARG  78  -7.009   4.103  33.392
  571   HH11  ARG  78          1HH2      ARG  78  -5.908   3.547  36.511
  572   HH12  ARG  78          2HH2      ARG  78  -5.319   2.129  37.342
  573   HH21  ARG  78          1HH1      ARG  78  -4.800   0.193  34.447
  574   HH22  ARG  78          2HH1      ARG  78  -4.616   0.329  36.163
  575    H    ILE  79           H        ILE  79  -4.303   6.274  29.321
  576    HA   ILE  79           HA       ILE  79  -2.415   8.324  30.356
  577    HB   ILE  79           HB       ILE  79  -3.662   7.942  27.599
  578   HG12  ILE  79          2HG1      ILE  79  -0.699   7.771  28.272
  579   HG13  ILE  79          3HG1      ILE  79  -1.733   6.356  28.203
  580   HG21  ILE  79          1HG2      ILE  79  -2.190   9.853  26.889
  581   HG22  ILE  79          2HG2      ILE  79  -3.396  10.335  28.063
  582   HG23  ILE  79          3HG2      ILE  79  -1.715  10.082  28.582
  583   HD11  ILE  79          3HD1      ILE  79  -0.552   6.550  26.132
  584   HD12  ILE  79          1HD1      ILE  79  -2.270   6.864  25.828
  585   HD13  ILE  79          2HD1      ILE  79  -1.106   8.209  25.881
  586    H    SER  80           H        SER  80  -3.375  10.389  30.709
  587    HA   SER  80           HA       SER  80  -6.158  10.860  30.058
  588    HG   SER  80           HG       SER  80  -7.575  11.237  33.246
  589    HB2  SER  80           2HB      SER  80  -6.192   9.629  32.295
  590    HB3  SER  80           3HB      SER  80  -5.322  11.013  32.984
  591    H    HIS  81           H        HIS  81  -6.640  13.148  31.199
  592    HA   HIS  81           HA       HIS  81  -4.310  14.956  30.741
  593    HD1  HIS  81           HD1      HIS  81  -7.469  17.938  31.095
  594    HD2  HIS  81           HD2      HIS  81  -4.072  17.203  28.708
  595    HE1  HIS  81           HE1      HIS  81  -6.474  20.204  30.520
  596    HB2  HIS  81           2HB      HIS  81  -5.971  15.191  28.943
  597    HB3  HIS  81           3HB      HIS  81  -7.247  15.448  30.132
  598    H    GLN  82           H        GLN  82  -3.690  15.818  32.597
  599    HA   GLN  82           HA       GLN  82  -5.425  15.836  34.991
  600    HB2  GLN  82           2HB      GLN  82  -2.521  16.645  34.495
  601    HB3  GLN  82           3HB      GLN  82  -3.356  16.807  36.048
  602    HG2  GLN  82           2HG      GLN  82  -3.759  14.371  36.111
  603    HG3  GLN  82           3HG      GLN  82  -2.916  14.171  34.573
  604   HE21  GLN  82          2HE2      GLN  82  -2.253  13.050  37.305
  605   HE22  GLN  82          1HE2      GLN  82  -0.611  13.549  37.576
  606    H    SER  83           H        SER  83  -7.019  17.261  33.898
  607    HA   SER  83           HA       SER  83  -6.465  19.762  32.842
  608    HG   SER  83           HG       SER  83  -9.660  18.195  32.472
  609    HB2  SER  83           2HB      SER  83  -8.907  18.982  34.475
  610    HB3  SER  83           3HB      SER  83  -8.816  20.235  33.218
  611    H    GLN  84           H        GLN  84  -6.546  18.897  36.277
  612    HA   GLN  84           HA       GLN  84  -6.557  21.487  37.396
  613    HB2  GLN  84           2HB      GLN  84  -5.577  20.430  39.365
  614    HB3  GLN  84           3HB      GLN  84  -6.889  19.459  38.704
  615    HG2  GLN  84           2HG      GLN  84  -5.218  17.928  37.647
  616    HG3  GLN  84           3HG      GLN  84  -3.908  18.907  38.308
  617   HE21  GLN  84          2HE2      GLN  84  -3.391  18.728  40.563
  618   HE22  GLN  84          1HE2      GLN  84  -4.132  17.506  41.580
  619    H    ASP  85           H        ASP  85  -4.060  19.949  35.519
  620    HA   ASP  85           HA       ASP  85  -2.156  22.158  36.115
  621    HB2  ASP  85           2HB      ASP  85  -1.569  20.019  37.290
  622    HB3  ASP  85           3HB      ASP  85  -1.494  19.214  35.724
  623    H    LYS  86           H        LYS  86  -4.215  21.196  33.963
  624    HA   LYS  86           HA       LYS  86  -4.471  20.922  31.737
  625    HB2  LYS  86           2HB      LYS  86  -2.758  23.426  31.810
  626    HB3  LYS  86           3HB      LYS  86  -3.829  22.944  30.483
  627    HG2  LYS  86           2HG      LYS  86  -5.775  22.995  32.058
  628    HG3  LYS  86           3HG      LYS  86  -4.716  23.642  33.318
  629    HD2  LYS  86           2HD      LYS  86  -5.287  24.964  30.632
  630    HD3  LYS  86           3HD      LYS  86  -6.041  25.389  32.177
  631    HE2  LYS  86           2HE      LYS  86  -3.801  25.964  33.109
  632    HE3  LYS  86           3HE      LYS  86  -3.059  25.590  31.547
  633    HZ1  LYS  86           3HZ      LYS  86  -4.375  27.378  30.565
  634    HZ2  LYS  86           1HZ      LYS  86  -5.057  27.726  32.020
  635    HZ3  LYS  86           2HZ      LYS  86  -3.453  27.953  31.790
  636    H    LYS  87           H        LYS  87  -2.652  18.965  32.290
  637    HA   LYS  87           HA       LYS  87  -1.251  18.903  29.736
  638    HB2  LYS  87           2HB      LYS  87   0.940  18.448  30.547
  639    HB3  LYS  87           3HB      LYS  87   0.383  19.968  31.196
  640    HG2  LYS  87           2HG      LYS  87   1.495  19.072  32.968
  641    HG3  LYS  87           3HG      LYS  87  -0.179  18.693  33.377
  642    HD2  LYS  87           2HD      LYS  87   0.134  16.374  32.914
  643    HD3  LYS  87           3HD      LYS  87   1.551  16.691  31.900
  644    HE2  LYS  87           2HE      LYS  87   2.217  15.652  33.972
  645    HE3  LYS  87           3HE      LYS  87   2.908  17.271  33.807
  646    HZ1  LYS  87           3HZ      LYS  87   2.083  16.891  36.035
  647    HZ2  LYS  87           1HZ      LYS  87   1.221  18.095  35.345
  648    HZ3  LYS  87           2HZ      LYS  87   0.567  16.574  35.496
  649    H    ILE  88           H        ILE  88  -0.417  16.724  29.177
  650    HA   ILE  88           HA       ILE  88  -2.315  14.725  30.226
  651    HB   ILE  88           HB       ILE  88  -1.548  13.291  28.408
  652   HG12  ILE  88          2HG1      ILE  88   0.203  15.634  27.547
  653   HG13  ILE  88          3HG1      ILE  88   0.773  14.095  28.181
  654   HG21  ILE  88          1HG2      ILE  88  -2.698  14.509  26.655
  655   HG22  ILE  88          2HG2      ILE  88  -3.456  14.886  28.196
  656   HG23  ILE  88          3HG2      ILE  88  -2.355  16.066  27.436
  657   HD11  ILE  88          3HD1      ILE  88  -0.693  14.531  25.547
  658   HD12  ILE  88          1HD1      ILE  88   0.992  14.060  25.778
  659   HD13  ILE  88          2HD1      ILE  88  -0.301  12.931  26.228
  660    H    HIS  89           H        HIS  89  -1.739  12.665  31.042
  661    HA   HIS  89           HA       HIS  89   1.022  12.276  31.977
  662    HD1  HIS  89           HD1      HIS  89   2.465  13.253  34.415
  663    HD2  HIS  89           HD2      HIS  89  -0.626  10.698  35.725
  664    HE1  HIS  89           HE1      HIS  89   3.349  12.018  36.463
  665    HB2  HIS  89           2HB      HIS  89  -0.180  13.793  33.632
  666    HB3  HIS  89           3HB      HIS  89  -1.322  12.479  33.911
  667    H    VAL  90           H        VAL  90   1.207  10.086  33.031
  668    HA   VAL  90           HA       VAL  90  -0.835   8.172  32.024
  669    HB   VAL  90           HB       VAL  90   2.153   7.759  31.703
  670   HG11  VAL  90          1HG1      VAL  90   1.456   6.171  29.961
  671   HG12  VAL  90          2HG1      VAL  90   0.693   5.774  31.512
  672   HG13  VAL  90          3HG1      VAL  90  -0.242   6.582  30.244
  673   HG21  VAL  90          3HG2      VAL  90   0.315   9.132  29.705
  674   HG22  VAL  90          1HG2      VAL  90   1.828   9.746  30.390
  675   HG23  VAL  90          2HG2      VAL  90   1.873   8.389  29.269
  676    H    TYR  91           H        TYR  91  -1.078   6.289  33.311
  677    HA   TYR  91           HA       TYR  91   0.727   5.732  35.515
  678    HD1  TYR  91           HD2      TYR  91  -2.516   8.265  34.718
  679    HD2  TYR  91           HD1      TYR  91  -2.922   5.271  37.799
  680    HE1  TYR  91           HE2      TYR  91  -4.974   8.479  34.593
  681    HE2  TYR  91           HE1      TYR  91  -5.380   5.506  37.712
  682    HH   TYR  91           HH       TYR  91  -7.028   7.766  35.464
  683    HB2  TYR  91           2HB      TYR  91  -0.783   6.168  37.315
  684    HB3  TYR  91           3HB      TYR  91  -0.617   7.648  36.412
  685    H    GLY  92           H        GLY  92  -0.643   3.995  37.016
  686    HA2  GLY  92           2HA      GLY  92  -2.025   2.189  37.167
  687    HA3  GLY  92           3HA      GLY  92  -2.633   2.499  35.547
  688    H    TYR  93           H        TYR  93  -2.421  -0.014  35.957
  689    HA   TYR  93           HA       TYR  93  -0.220  -0.741  34.150
  690    HD1  TYR  93           HD1      TYR  93  -2.897  -2.042  36.628
  691    HD2  TYR  93           HD2      TYR  93   0.936  -3.824  37.503
  692    HE1  TYR  93           HE1      TYR  93  -3.937  -3.398  38.374
  693    HE2  TYR  93           HE2      TYR  93  -0.107  -5.190  39.278
  694    HH   TYR  93           HH       TYR  93  -3.602  -4.984  40.057
  695    HB2  TYR  93           2HB      TYR  93   0.402  -2.702  35.259
  696    HB3  TYR  93           3HB      TYR  93   0.564  -1.374  36.379
  697    H    SER  94           H        SER  94  -0.711  -3.190  33.424
  698    HA   SER  94           HA       SER  94  -3.634  -3.605  33.045
  699    HG   SER  94           HG       SER  94  -3.568  -2.136  30.677
  700    HB2  SER  94           2HB      SER  94  -1.461  -3.951  30.929
  701    HB3  SER  94           3HB      SER  94  -3.199  -4.249  30.722
  702    H    MET  95           H        MET  95  -3.903  -5.412  34.305
  703    HA   MET  95           HA       MET  95  -1.822  -7.063  35.184
  704    HB2  MET  95           2HB      MET  95  -4.815  -7.610  35.044
  705    HB3  MET  95           3HB      MET  95  -3.658  -8.590  35.954
  706    HG2  MET  95           2HG      MET  95  -3.002  -6.624  37.286
  707    HG3  MET  95           3HG      MET  95  -4.185  -5.630  36.438
  708    HE1  MET  95           3HE      MET  95  -6.820  -7.403  36.229
  709    HE2  MET  95           1HE      MET  95  -7.611  -6.925  37.743
  710    HE3  MET  95           2HE      MET  95  -6.754  -5.709  36.772
  711    H    ALA  96           H        ALA  96  -3.565  -7.274  32.165
  712    HA   ALA  96           HA       ALA  96  -3.118  -9.991  31.504
  713    HB1  ALA  96           3HB      ALA  96  -4.635  -8.489  30.246
  714    HB2  ALA  96           1HB      ALA  96  -3.232  -7.536  29.690
  715    HB3  ALA  96           2HB      ALA  96  -3.422  -9.222  29.178
  716    H    TYR  97           H        TYR  97  -0.840  -7.284  31.655
  717    HA   TYR  97           HA       TYR  97   1.246  -8.936  30.285
  718    HD1  TYR  97           HD2      TYR  97   0.376  -9.163  27.993
  719    HD2  TYR  97           HD1      TYR  97  -0.772  -5.043  28.585
  720    HE1  TYR  97           HE2      TYR  97  -1.366  -9.406  26.262
  721    HE2  TYR  97           HE1      TYR  97  -2.496  -5.267  26.828
  722    HH   TYR  97           HH       TYR  97  -3.055  -8.350  25.072
  723    HB2  TYR  97           2HB      TYR  97   0.862  -5.951  29.932
  724    HB3  TYR  97           3HB      TYR  97   1.954  -7.004  29.041
  725    H    GLY  98           H        GLY  98   0.668  -5.957  32.235
  726    HA2  GLY  98           2HA      GLY  98   1.902  -6.052  34.493
  727    HA3  GLY  98           3HA      GLY  98   3.350  -6.139  33.467
  728    HA   PRO  99           HA       PRO  99   2.096  -1.565  33.948
  729    HB2  PRO  99           2HB      PRO  99   4.951  -1.515  34.892
  730    HB3  PRO  99           3HB      PRO  99   3.552  -0.572  35.484
  731    HG2  PRO  99           2HG      PRO  99   4.549  -2.679  36.907
  732    HG3  PRO  99           3HG      PRO  99   2.786  -2.382  36.808
  733    HD2  PRO  99           2HD      PRO  99   4.450  -4.365  35.241
  734    HD3  PRO  99           3HD      PRO  99   2.848  -4.589  36.007
  735    H    ALA 100           H        ALA 100   2.476  -0.427  32.054
  736    HA   ALA 100           HA       ALA 100   4.379  -1.317  30.074
  737    HB1  ALA 100           3HB      ALA 100   2.429   0.013  29.400
  738    HB2  ALA 100           1HB      ALA 100   2.965   1.353  30.430
  739    HB3  ALA 100           2HB      ALA 100   3.912   0.871  29.005
  740    H    GLN 101           H        GLN 101   6.263  -0.307  29.426
  741    HA   GLN 101           HA       GLN 101   7.927   0.886  31.481
  742    HB2  GLN 101           2HB      GLN 101   8.475   0.190  28.554
  743    HB3  GLN 101           3HB      GLN 101   9.665   0.699  29.752
  744    HG2  GLN 101           2HG      GLN 101   9.881  -1.640  29.744
  745    HG3  GLN 101           3HG      GLN 101   8.918  -1.297  31.179
  746   HE21  GLN 101          2HE2      GLN 101   8.485  -3.765  30.842
  747   HE22  GLN 101          1HE2      GLN 101   7.085  -4.142  29.850
  748    H    HIS 102           H        HIS 102   6.167   2.538  31.605
  749    HA   HIS 102           HA       HIS 102   5.278   4.250  29.710
  750    HD1  HIS 102           HD1      HIS 102   4.840   3.131  34.067
  751    HD2  HIS 102           HD2      HIS 102   2.484   4.343  30.813
  752    HE1  HIS 102           HE1      HIS 102   2.569   2.027  34.369
  753    HB2  HIS 102           2HB      HIS 102   5.911   4.986  32.579
  754    HB3  HIS 102           3HB      HIS 102   4.781   5.839  31.531
  755    H    ALA 103           H        ALA 103   8.543   4.520  31.113
  756    HA   ALA 103           HA       ALA 103   8.996   7.251  30.438
  757    HB1  ALA 103           3HB      ALA 103  10.509   5.933  31.896
  758    HB2  ALA 103           1HB      ALA 103  10.967   4.918  30.507
  759    HB3  ALA 103           2HB      ALA 103  11.384   6.642  30.524
  760    H    ILE 104           H        ILE 104   9.219   4.245  28.497
  761    HA   ILE 104           HA       ILE 104  10.390   5.462  26.163
  762    HB   ILE 104           HB       ILE 104   8.628   2.974  26.421
  763   HG12  ILE 104          2HG1      ILE 104  11.673   3.214  26.498
  764   HG13  ILE 104          3HG1      ILE 104  10.638   2.834  27.875
  765   HG21  ILE 104          1HG2      ILE 104   8.814   3.829  24.090
  766   HG22  ILE 104          2HG2      ILE 104  10.585   3.748  24.212
  767   HG23  ILE 104          3HG2      ILE 104   9.599   2.270  24.277
  768   HD11  ILE 104          3HD1      ILE 104   9.863   0.764  26.678
  769   HD12  ILE 104          1HD1      ILE 104  11.123   1.072  25.458
  770   HD13  ILE 104          2HD1      ILE 104  11.574   0.786  27.144
  771    H    SER 105           H        SER 105   7.012   4.634  27.150
  772    HA   SER 105           HA       SER 105   5.766   5.623  24.863
  773    HG   SER 105           HG       SER 105   5.093   3.462  25.866
  774    HB2  SER 105           2HB      SER 105   4.573   5.610  27.659
  775    HB3  SER 105           3HB      SER 105   3.735   5.396  26.111
  776    H    THR 106           H        THR 106   6.461   7.367  27.965
  777    HA   THR 106           HA       THR 106   4.934   9.648  27.187
  778    HB   THR 106           HB       THR 106   6.288  10.784  29.052
  779    HG1  THR 106           1HG      THR 106   7.044   8.091  29.574
  780   HG21  THR 106          3HG2      THR 106   4.745   8.231  29.723
  781   HG22  THR 106          1HG2      THR 106   5.041   9.621  30.792
  782   HG23  THR 106          2HG2      THR 106   4.028   9.807  29.361
  783    H    GLU 107           H        GLU 107   8.454   8.891  26.745
  784    HA   GLU 107           HA       GLU 107   8.990  11.461  25.621
  785    HB2  GLU 107           2HB      GLU 107  10.405   8.788  25.305
  786    HB3  GLU 107           3HB      GLU 107  10.975  10.315  24.602
  787    HG2  GLU 107           2HG      GLU 107  11.040  11.339  26.870
  788    HG3  GLU 107           3HG      GLU 107  10.599   9.792  27.580
  789    H    LYS 108           H        LYS 108   7.997   8.344  24.167
  790    HA   LYS 108           HA       LYS 108   8.143   9.201  21.433
  791    HB2  LYS 108           2HB      LYS 108   6.643   7.039  22.929
  792    HB3  LYS 108           3HB      LYS 108   6.215   7.382  21.245
  793    HG2  LYS 108           2HG      LYS 108   8.523   6.993  20.523
  794    HG3  LYS 108           3HG      LYS 108   9.014   6.668  22.195
  795    HD2  LYS 108           2HD      LYS 108   7.546   4.721  22.304
  796    HD3  LYS 108           3HD      LYS 108   6.895   5.043  20.690
  797    HE2  LYS 108           2HE      LYS 108   9.883   4.739  21.044
  798    HE3  LYS 108           3HE      LYS 108   8.879   3.285  21.085
  799    HZ1  LYS 108           3HZ      LYS 108   9.771   4.003  18.837
  800    HZ2  LYS 108           1HZ      LYS 108   8.190   3.604  18.908
  801    HZ3  LYS 108           2HZ      LYS 108   8.607   5.172  18.833
  802    H    ILE 109           H        ILE 109   5.408   9.294  23.771
  803    HA   ILE 109           HA       ILE 109   3.544  10.585  22.061
  804    HB   ILE 109           HB       ILE 109   3.893  10.623  25.077
  805   HG12  ILE 109          2HG1      ILE 109   1.746   9.202  23.448
  806   HG13  ILE 109          3HG1      ILE 109   3.263   8.429  23.839
  807   HG21  ILE 109          1HG2      ILE 109   2.622  12.653  24.402
  808   HG22  ILE 109          2HG2      ILE 109   1.521  11.652  23.444
  809   HG23  ILE 109          3HG2      ILE 109   1.567  11.514  25.214
  810   HD11  ILE 109          3HD1      ILE 109   1.204   9.422  25.858
  811   HD12  ILE 109          1HD1      ILE 109   1.620   7.751  25.480
  812   HD13  ILE 109          2HD1      ILE 109   2.809   8.785  26.286
  813    H    LYS 110           H        LYS 110   5.923  12.025  24.421
  814    HA   LYS 110           HA       LYS 110   5.256  14.679  23.865
  815    HB2  LYS 110           2HB      LYS 110   6.692  13.823  25.729
  816    HB3  LYS 110           3HB      LYS 110   8.025  13.598  24.591
  817    HG2  LYS 110           2HG      LYS 110   8.153  15.993  24.181
  818    HG3  LYS 110           3HG      LYS 110   6.606  16.269  24.986
  819    HD2  LYS 110           2HD      LYS 110   8.397  17.001  26.447
  820    HD3  LYS 110           3HD      LYS 110   7.541  15.640  27.151
  821    HE2  LYS 110           2HE      LYS 110   9.865  15.325  27.577
  822    HE3  LYS 110           3HE      LYS 110   9.375  14.104  26.403
  823    HZ1  LYS 110           3HZ      LYS 110  11.485  15.143  25.823
  824    HZ2  LYS 110           1HZ      LYS 110  10.383  15.487  24.663
  825    HZ3  LYS 110           2HZ      LYS 110  10.804  16.631  25.770
  826    H    ALA 111           H        ALA 111   7.564  12.586  22.085
  827    HA   ALA 111           HA       ALA 111   8.486  14.650  20.349
  828    HB1  ALA 111           3HB      ALA 111   9.353  12.752  18.999
  829    HB2  ALA 111           1HB      ALA 111   9.744  12.589  20.722
  830    HB3  ALA 111           2HB      ALA 111   8.437  11.617  20.019
  831    H    LYS 112           H        LYS 112   5.911  12.122  19.872
  832    HA   LYS 112           HA       LYS 112   5.462  13.155  17.152
  833    HB2  LYS 112           2HB      LYS 112   4.446  10.766  18.719
  834    HB3  LYS 112           3HB      LYS 112   3.607  11.294  17.269
  835    HG2  LYS 112           2HG      LYS 112   5.072   9.639  16.526
  836    HG3  LYS 112           3HG      LYS 112   5.755  11.168  15.980
  837    HD2  LYS 112           2HD      LYS 112   7.361  11.087  17.918
  838    HD3  LYS 112           3HD      LYS 112   6.678   9.504  18.366
  839    HE2  LYS 112           2HE      LYS 112   7.262   8.836  15.903
  840    HE3  LYS 112           3HE      LYS 112   8.241  10.306  15.876
  841    HZ1  LYS 112           3HZ      LYS 112   9.432   9.371  17.843
  842    HZ2  LYS 112           1HZ      LYS 112   8.567   7.965  17.670
  843    HZ3  LYS 112           2HZ      LYS 112   9.596   8.456  16.497
  844    H    TYR 113           H        TYR 113   3.918  13.532  20.259
  845    HA   TYR 113           HA       TYR 113   1.716  15.133  19.108
  846    HD1  TYR 113           HD1      TYR 113  -0.839  14.517  18.592
  847    HD2  TYR 113           HD2      TYR 113  -0.095  13.621  22.746
  848    HE1  TYR 113           HE1      TYR 113  -3.065  15.420  19.180
  849    HE2  TYR 113           HE2      TYR 113  -2.330  14.508  23.342
  850    HH   TYR 113           HH       TYR 113  -4.586  15.853  20.896
  851    HB2  TYR 113           2HB      TYR 113   0.929  12.805  19.387
  852    HB3  TYR 113           3HB      TYR 113   1.424  12.825  21.070
  853    HA   PRO 114           HA       PRO 114   4.235  16.893  22.612
  854    HB2  PRO 114           2HB      PRO 114   4.349  19.507  21.709
  855    HB3  PRO 114           3HB      PRO 114   5.508  18.222  21.251
  856    HG2  PRO 114           2HG      PRO 114   3.073  19.174  19.720
  857    HG3  PRO 114           3HG      PRO 114   4.727  18.865  19.097
  858    HD2  PRO 114           2HD      PRO 114   2.741  17.034  18.836
  859    HD3  PRO 114           3HD      PRO 114   4.420  16.520  19.192
  860    H    ASP 115           H        ASP 115   3.615  18.335  24.294
  861    HA   ASP 115           HA       ASP 115   0.934  19.485  24.378
  862    HB2  ASP 115           2HB      ASP 115   0.708  16.987  24.915
  863    HB3  ASP 115           3HB      ASP 115   1.730  17.279  26.321
  864    H    TYR 116           H        TYR 116   0.829  20.188  27.027
  865    HA   TYR 116           HA       TYR 116   2.929  22.142  27.282
  866    HD1  TYR 116           HD1      TYR 116   1.787  24.604  28.498
  867    HD2  TYR 116           HD2      TYR 116   2.225  21.369  31.317
  868    HE1  TYR 116           HE1      TYR 116   2.692  26.192  30.169
  869    HE2  TYR 116           HE2      TYR 116   3.123  22.945  32.997
  870    HH   TYR 116           HH       TYR 116   3.525  26.447  32.330
  871    HB2  TYR 116           2HB      TYR 116   0.638  22.438  28.158
  872    HB3  TYR 116           3HB      TYR 116   0.874  21.099  29.267
  873    H    GLU 117           H        GLU 117   2.332  18.896  28.675
  874    HA   GLU 117           HA       GLU 117   5.135  18.457  29.093
  875    HB2  GLU 117           2HB      GLU 117   4.614  19.708  31.185
  876    HB3  GLU 117           3HB      GLU 117   3.261  18.634  31.503
  877    HG2  GLU 117           2HG      GLU 117   5.163  18.113  32.925
  878    HG3  GLU 117           3HG      GLU 117   4.774  16.760  31.883
  879    H    VAL 118           H        VAL 118   5.460  16.130  29.554
  880    HA   VAL 118           HA       VAL 118   3.051  14.428  29.580
  881    HB   VAL 118           HB       VAL 118   5.367  13.810  27.700
  882   HG11  VAL 118          1HG1      VAL 118   2.541  12.666  27.858
  883   HG12  VAL 118          2HG1      VAL 118   3.853  12.137  26.786
  884   HG13  VAL 118          3HG1      VAL 118   3.995  11.909  28.528
  885   HG21  VAL 118          3HG2      VAL 118   2.741  15.127  26.951
  886   HG22  VAL 118          1HG2      VAL 118   4.375  15.774  26.720
  887   HG23  VAL 118          2HG2      VAL 118   3.853  14.361  25.796
  888    H    THR 119           H        THR 119   3.365  13.358  31.488
  889    HA   THR 119           HA       THR 119   6.028  12.223  32.120
  890    HB   THR 119           HB       THR 119   5.534  12.941  34.541
  891    HG1  THR 119           1HG      THR 119   4.304  14.832  34.707
  892   HG21  THR 119          3HG2      THR 119   6.552  15.155  34.274
  893   HG22  THR 119          1HG2      THR 119   7.344  13.954  33.242
  894   HG23  THR 119          2HG2      THR 119   6.215  15.115  32.531
  895    H    TRP 120           H        TRP 120   5.694  10.712  34.178
  896    HA   TRP 120           HA       TRP 120   3.028   9.544  34.249
  897    HD1  TRP 120           HD1      TRP 120   6.895   8.800  32.172
  898    HE1  TRP 120           HE1      TRP 120   8.984   7.592  32.983
  899    HE3  TRP 120           HE3      TRP 120   4.760   5.834  35.760
  900    HZ2  TRP 120           HZ2      TRP 120   9.659   5.523  34.910
  901    HZ3  TRP 120           HZ3      TRP 120   6.151   4.247  37.062
  902    HH2  TRP 120           HH2      TRP 120   8.595   4.081  36.644
  903    HB2  TRP 120           2HB      TRP 120   3.799   7.289  33.862
  904    HB3  TRP 120           3HB      TRP 120   4.244   8.263  32.477
  905    H    ALA 121           H        ALA 121   2.762   8.142  36.122
  906    HA   ALA 121           HA       ALA 121   4.901   7.800  38.044
  907    HB1  ALA 121           3HB      ALA 121   3.716   8.954  39.903
  908    HB2  ALA 121           1HB      ALA 121   4.139  10.120  38.636
  909    HB3  ALA 121           2HB      ALA 121   2.470   9.524  38.775
  910    H    ASN 122           H        ASN 122   4.043   6.387  39.851
  911    HA   ASN 122           HA       ASN 122   1.814   4.665  38.961
  912    HB2  ASN 122           2HB      ASN 122   3.987   3.768  39.967
  913    HB3  ASN 122           3HB      ASN 122   3.405   4.351  41.528
  914   HD21  ASN 122          2HD2      ASN 122   1.028   3.558  42.052
  915   HD22  ASN 122          1HD2      ASN 122   0.692   1.873  41.622
  916    H    ASP 123           H        ASP 123   0.795   7.077  39.166
  917    HA   ASP 123           HA       ASP 123  -0.019   8.085  41.686
  918    HB2  ASP 123           2HB      ASP 123  -0.140   9.364  39.598
  919    HB3  ASP 123           3HB      ASP 123  -1.361   8.258  38.963
  920    H    GLY 124           H        GLY 124  -1.195   5.417  39.792
  921    HA2  GLY 124           2HA      GLY 124  -2.612   4.275  41.971
  922    HA3  GLY 124           3HA      GLY 124  -3.718   4.753  40.660
  923    H    TYR 125           H        TYR 125  -3.583   2.118  41.035
  924    HA   TYR 125           HA       TYR 125  -1.724   0.971  39.017
  925    HD1  TYR 125           HD1      TYR 125  -1.871   0.739  42.957
  926    HD2  TYR 125           HD2      TYR 125  -0.268  -1.550  39.676
  927    HE1  TYR 125           HE1      TYR 125   0.303   0.593  44.133
  928    HE2  TYR 125           HE2      TYR 125   1.916  -1.702  40.841
  929    HH   TYR 125           HH       TYR 125   2.489  -0.222  44.059
  930    HB2  TYR 125           2HB      TYR 125  -3.368  -0.299  41.231
  931    HB3  TYR 125           3HB      TYR 125  -2.664  -1.209  39.906
  Start of MODEL   10
    1    HA   MET   1           HA       MET   1  -1.802  -8.535   0.358
    2    H1   MET   1           H1       MET   1   0.209  -9.859   2.034
    3    H2   MET   1           H2       MET   1  -0.412 -10.427   0.622
    4    H3   MET   1           H3       MET   1  -1.387 -10.254   1.937
    5    HB2  MET   1           2HB      MET   1  -2.126  -8.052   2.749
    6    HB3  MET   1           3HB      MET   1  -0.468  -7.468   2.878
    7    HG2  MET   1           2HG      MET   1  -2.066  -5.627   2.671
    8    HG3  MET   1           3HG      MET   1  -0.968  -5.646   1.297
    9    HE1  MET   1           3HE      MET   1  -2.507  -3.948   0.011
   10    HE2  MET   1           1HE      MET   1  -4.254  -4.173  -0.230
   11    HE3  MET   1           2HE      MET   1  -3.610  -3.910   1.405
   12    H    ALA   2           H        ALA   2   1.200  -7.120   1.732
   13    HA   ALA   2           HA       ALA   2   2.731  -7.394  -0.705
   14    HB1  ALA   2           3HB      ALA   2   1.735  -4.648   0.222
   15    HB2  ALA   2           1HB      ALA   2   2.946  -4.939  -1.042
   16    HB3  ALA   2           2HB      ALA   2   1.270  -5.453  -1.298
   17    H    VAL   3           H        VAL   3   4.904  -6.159  -0.259
   18    HA   VAL   3           HA       VAL   3   5.812  -6.677   2.413
   19    HB   VAL   3           HB       VAL   3   7.897  -5.543   1.575
   20   HG11  VAL   3          1HG1      VAL   3   6.846  -7.805  -0.184
   21   HG12  VAL   3          2HG1      VAL   3   8.548  -7.354   0.057
   22   HG13  VAL   3          3HG1      VAL   3   7.602  -7.988   1.407
   23   HG21  VAL   3          3HG2      VAL   3   6.502  -5.456  -1.143
   24   HG22  VAL   3          1HG2      VAL   3   6.860  -4.039  -0.130
   25   HG23  VAL   3          2HG2      VAL   3   8.181  -5.023  -0.775
   26    H    ALA   4           H        ALA   4   6.847  -4.979   3.749
   27    HA   ALA   4           HA       ALA   4   5.759  -2.280   3.685
   28    HB1  ALA   4           3HB      ALA   4   4.754  -2.543   5.976
   29    HB2  ALA   4           1HB      ALA   4   3.917  -3.510   4.757
   30    HB3  ALA   4           2HB      ALA   4   5.054  -4.291   5.884
   31    H    ASP   5           H        ASP   5   6.561  -1.247   5.936
   32    HA   ASP   5           HA       ASP   5   9.003  -2.411   7.023
   33    HB2  ASP   5           2HB      ASP   5   9.829  -1.125   5.049
   34    HB3  ASP   5           3HB      ASP   5   9.004   0.316   5.650
   35    H    LEU   6           H        LEU   6   9.474  -1.390   9.081
   36    HA   LEU   6           HA       LEU   6   7.174  -0.697  10.575
   37    HG   LEU   6           HG       LEU   6   9.385  -2.716  10.796
   38    HB2  LEU   6           2HB      LEU   6  10.136  -0.313  11.169
   39    HB3  LEU   6           3HB      LEU   6   8.858  -0.166  12.372
   40   HD11  LEU   6          1HD1      LEU   6  10.304  -1.996  13.607
   41   HD12  LEU   6          2HD1      LEU   6  10.516  -3.557  12.759
   42   HD13  LEU   6          3HD1      LEU   6  11.344  -2.119  12.169
   43   HD21  LEU   6          3HD2      LEU   6   8.089  -3.804  12.601
   44   HD22  LEU   6          1HD2      LEU   6   7.758  -2.220  13.335
   45   HD23  LEU   6          2HD2      LEU   6   7.116  -2.630  11.723
   46    H    ALA   7           H        ALA   7   9.400   1.393   8.774
   47    HA   ALA   7           HA       ALA   7   8.839   3.838  10.116
   48    HB1  ALA   7           3HB      ALA   7  10.659   3.531   8.459
   49    HB2  ALA   7           1HB      ALA   7   9.448   3.330   7.171
   50    HB3  ALA   7           2HB      ALA   7   9.594   4.884   8.017
   51    H    LEU   8           H        LEU   8   6.824   1.883   7.994
   52    HA   LEU   8           HA       LEU   8   5.084   4.066   7.144
   53    HG   LEU   8           HG       LEU   8   6.594   1.597   5.696
   54    HB2  LEU   8           2HB      LEU   8   4.621   1.054   7.116
   55    HB3  LEU   8           3HB      LEU   8   3.668   2.258   6.261
   56   HD11  LEU   8          1HD1      LEU   8   4.963  -0.164   5.038
   57   HD12  LEU   8          2HD1      LEU   8   4.085   1.027   4.065
   58   HD13  LEU   8          3HD1      LEU   8   5.757   0.588   3.643
   59   HD21  LEU   8          3HD2      LEU   8   4.702   3.518   4.266
   60   HD22  LEU   8          1HD2      LEU   8   6.183   3.949   5.157
   61   HD23  LEU   8          2HD2      LEU   8   6.298   3.006   3.669
   62    H    ILE   9           H        ILE   9   5.418   2.290  10.088
   63    HA   ILE   9           HA       ILE   9   2.548   2.417  10.753
   64    HB   ILE   9           HB       ILE   9   4.949   1.125  12.086
   65   HG12  ILE   9          2HG1      ILE   9   2.477  -0.071  10.739
   66   HG13  ILE   9          3HG1      ILE   9   4.053   0.079   9.967
   67   HG21  ILE   9          1HG2      ILE   9   3.376   0.139  13.707
   68   HG22  ILE   9          2HG2      ILE   9   3.382   1.885  13.835
   69   HG23  ILE   9          3HG2      ILE   9   2.039   1.083  12.991
   70   HD11  ILE   9          3HD1      ILE   9   5.052  -1.382  11.715
   71   HD12  ILE   9          1HD1      ILE   9   3.416  -1.665  12.359
   72   HD13  ILE   9          2HD1      ILE   9   3.813  -2.167  10.712
   73    HA   PRO  10           HA       PRO  10   3.396   6.454  12.703
   74    HB2  PRO  10           2HB      PRO  10   0.833   5.665  14.109
   75    HB3  PRO  10           3HB      PRO  10   1.296   7.256  13.429
   76    HG2  PRO  10           2HG      PRO  10  -0.392   5.629  12.069
   77    HG3  PRO  10           3HG      PRO  10   0.919   6.490  11.196
   78    HD2  PRO  10           2HD      PRO  10   0.857   3.613  12.126
   79    HD3  PRO  10           3HD      PRO  10   1.419   4.293  10.569
   80    H    ASP  11           H        ASP  11   4.522   6.879  14.603
   81    HA   ASP  11           HA       ASP  11   5.258   4.591  16.164
   82    HB2  ASP  11           2HB      ASP  11   6.591   6.753  15.384
   83    HB3  ASP  11           3HB      ASP  11   6.030   7.411  16.925
   84    H    VAL  12           H        VAL  12   3.069   7.248  16.653
   85    HA   VAL  12           HA       VAL  12   2.035   6.126  19.168
   86    HB   VAL  12           HB       VAL  12   2.625   9.069  18.624
   87   HG11  VAL  12          1HG1      VAL  12   1.421   7.763  21.109
   88   HG12  VAL  12          2HG1      VAL  12   1.841   9.480  20.924
   89   HG13  VAL  12          3HG1      VAL  12   0.553   8.782  19.944
   90   HG21  VAL  12          3HG2      VAL  12   4.144   8.914  20.573
   91   HG22  VAL  12          1HG2      VAL  12   3.938   7.147  20.573
   92   HG23  VAL  12          2HG2      VAL  12   4.696   7.971  19.193
   93    H    ASP  13           H        ASP  13  -0.218   6.072  18.977
   94    HA   ASP  13           HA       ASP  13  -1.594   8.008  17.331
   95    HB2  ASP  13           2HB      ASP  13  -1.100   6.332  15.586
   96    HB3  ASP  13           3HB      ASP  13  -1.799   5.064  16.594
   97    H    ILE  14           H        ILE  14  -3.324   8.532  18.552
   98    HA   ILE  14           HA       ILE  14  -4.462   6.651  20.464
   99    HB   ILE  14           HB       ILE  14  -4.100   8.241  22.348
  100   HG12  ILE  14          2HG1      ILE  14  -2.169   9.702  20.489
  101   HG13  ILE  14          3HG1      ILE  14  -3.719  10.317  21.067
  102   HG21  ILE  14          1HG2      ILE  14  -2.598   6.257  21.943
  103   HG22  ILE  14          2HG2      ILE  14  -1.413   7.359  21.224
  104   HG23  ILE  14          3HG2      ILE  14  -1.885   7.533  22.928
  105   HD11  ILE  14          3HD1      ILE  14  -1.252   9.755  22.759
  106   HD12  ILE  14          1HD1      ILE  14  -1.970  11.321  22.368
  107   HD13  ILE  14          2HD1      ILE  14  -2.851  10.190  23.420
  108    H    ASP  15           H        ASP  15  -6.389   7.581  21.495
  109    HA   ASP  15           HA       ASP  15  -7.484  10.098  20.442
  110    HB2  ASP  15           2HB      ASP  15  -8.292   8.530  18.733
  111    HB3  ASP  15           3HB      ASP  15  -8.893   7.436  19.984
  112    H    SER  16           H        SER  16  -7.899  11.029  22.421
  113    HA   SER  16           HA       SER  16  -9.488   9.702  24.454
  114    HG   SER  16           HG       SER  16  -7.740   8.097  24.118
  115    HB2  SER  16           2HB      SER  16  -6.502  10.214  24.824
  116    HB3  SER  16           3HB      SER  16  -7.620   9.955  26.173
  117    H    ASP  17           H        ASP  17  -9.890  11.214  26.257
  118    HA   ASP  17           HA       ASP  17  -9.234  14.073  25.860
  119    HB2  ASP  17           2HB      ASP  17 -11.259  13.537  24.480
  120    HB3  ASP  17           3HB      ASP  17 -12.076  12.976  25.933
  121    H    GLY  18           H        GLY  18  -8.764  11.790  27.872
  122    HA2  GLY  18           2HA      GLY  18  -8.984  12.983  30.370
  123    HA3  GLY  18           3HA      GLY  18 -10.470  12.034  30.121
  124    H    VAL  19           H        VAL  19  -9.489  10.686  31.949
  125    HA   VAL  19           HA       VAL  19  -7.223   8.986  31.494
  126    HB   VAL  19           HB       VAL  19  -9.665   8.583  33.262
  127   HG11  VAL  19          1HG1      VAL  19  -8.205   7.028  34.524
  128   HG12  VAL  19          2HG1      VAL  19  -8.462   6.454  32.878
  129   HG13  VAL  19          3HG1      VAL  19  -6.926   7.236  33.306
  130   HG21  VAL  19          3HG2      VAL  19  -8.201   9.381  35.091
  131   HG22  VAL  19          1HG2      VAL  19  -6.922   9.736  33.918
  132   HG23  VAL  19          2HG2      VAL  19  -8.451  10.645  33.885
  133    H    PHE  20           H        PHE  20  -7.043   7.481  29.919
  134    HA   PHE  20           HA       PHE  20  -9.230   5.540  29.624
  135    HD1  PHE  20           HD1      PHE  20 -11.279   5.321  27.837
  136    HD2  PHE  20           HD2      PHE  20  -9.250   9.100  27.473
  137    HE1  PHE  20           HE1      PHE  20 -13.463   6.485  27.823
  138    HE2  PHE  20           HE2      PHE  20 -11.453  10.276  27.455
  139    HZ   PHE  20           HZ       PHE  20 -13.554   8.969  27.633
  140    HB2  PHE  20           2HB      PHE  20  -7.988   7.044  27.292
  141    HB3  PHE  20           3HB      PHE  20  -8.832   5.514  27.111
  142    H    LYS  21           H        LYS  21  -8.481   3.505  28.946
  143    HA   LYS  21           HA       LYS  21  -5.837   2.777  29.863
  144    HB2  LYS  21           2HB      LYS  21  -8.104   1.294  28.478
  145    HB3  LYS  21           3HB      LYS  21  -6.570   0.504  28.860
  146    HG2  LYS  21           2HG      LYS  21  -6.818   0.735  31.175
  147    HG3  LYS  21           3HG      LYS  21  -8.045   1.990  31.059
  148    HD2  LYS  21           2HD      LYS  21  -8.554  -0.869  30.165
  149    HD3  LYS  21           3HD      LYS  21  -8.830  -0.293  31.816
  150    HE2  LYS  21           2HE      LYS  21 -10.321   1.510  30.926
  151    HE3  LYS  21           3HE      LYS  21 -10.179   0.821  29.305
  152    HZ1  LYS  21           3HZ      LYS  21 -11.261  -0.699  31.620
  153    HZ2  LYS  21           1HZ      LYS  21 -12.179   0.149  30.564
  154    HZ3  LYS  21           2HZ      LYS  21 -11.354  -1.120  30.012
  155    H    TYR  22           H        TYR  22  -4.096   1.887  28.656
  156    HA   TYR  22           HA       TYR  22  -4.093   2.178  25.750
  157    HD1  TYR  22           HD1      TYR  22  -1.884   3.619  29.192
  158    HD2  TYR  22           HD2      TYR  22  -0.386   3.379  25.168
  159    HE1  TYR  22           HE1      TYR  22   0.398   3.289  30.081
  160    HE2  TYR  22           HE2      TYR  22   1.919   3.065  26.037
  161    HH   TYR  22           HH       TYR  22   2.613   2.856  29.533
  162    HB2  TYR  22           2HB      TYR  22  -2.664   3.903  25.564
  163    HB3  TYR  22           3HB      TYR  22  -3.252   4.379  27.132
  164    H    VAL  23           H        VAL  23  -1.897   1.331  24.909
  165    HA   VAL  23           HA       VAL  23  -0.742  -0.736  26.666
  166    HB   VAL  23           HB       VAL  23  -2.695  -1.718  25.548
  167   HG11  VAL  23          1HG1      VAL  23  -1.299  -1.080  22.936
  168   HG12  VAL  23          2HG1      VAL  23  -2.729  -2.122  23.128
  169   HG13  VAL  23          3HG1      VAL  23  -2.827  -0.398  23.519
  170   HG21  VAL  23          3HG2      VAL  23  -0.082  -2.878  24.535
  171   HG22  VAL  23          1HG2      VAL  23  -0.857  -3.194  26.097
  172   HG23  VAL  23          2HG2      VAL  23  -1.647  -3.712  24.602
  173    H    LEU  24           H        LEU  24   1.331  -1.421  25.985
  174    HA   LEU  24           HA       LEU  24   2.733   0.357  24.033
  175    HG   LEU  24           HG       LEU  24   5.503  -0.958  24.923
  176    HB2  LEU  24           2HB      LEU  24   3.446   0.794  26.356
  177    HB3  LEU  24           3HB      LEU  24   3.666  -0.934  26.633
  178   HD11  LEU  24          1HD1      LEU  24   4.948   0.996  23.564
  179   HD12  LEU  24          2HD1      LEU  24   5.140   2.073  24.958
  180   HD13  LEU  24          3HD1      LEU  24   6.543   1.218  24.278
  181   HD21  LEU  24          3HD2      LEU  24   5.970  -0.748  27.333
  182   HD22  LEU  24          1HD2      LEU  24   7.160   0.129  26.368
  183   HD23  LEU  24          2HD2      LEU  24   5.877   1.036  27.202
  184    H    ILE  25           H        ILE  25   3.419  -0.827  22.273
  185    HA   ILE  25           HA       ILE  25   3.509  -3.805  22.547
  186    HB   ILE  25           HB       ILE  25   2.245  -2.199  20.282
  187   HG12  ILE  25          2HG1      ILE  25   0.793  -3.897  22.359
  188   HG13  ILE  25          3HG1      ILE  25   0.848  -2.136  22.386
  189   HG21  ILE  25          1HG2      ILE  25   2.445  -5.193  20.832
  190   HG22  ILE  25          2HG2      ILE  25   1.464  -4.493  19.524
  191   HG23  ILE  25          3HG2      ILE  25   3.189  -4.292  19.495
  192   HD11  ILE  25          3HD1      ILE  25  -0.430  -3.754  20.146
  193   HD12  ILE  25          1HD1      ILE  25  -1.253  -2.864  21.413
  194   HD13  ILE  25          2HD1      ILE  25  -0.274  -1.986  20.225
  195    H    ARG  26           H        ARG  26   5.174  -4.763  21.478
  196    HA   ARG  26           HA       ARG  26   7.047  -3.067  19.919
  197    HE   ARG  26           HE       ARG  26  10.824  -4.105  21.301
  198    HB2  ARG  26           2HB      ARG  26   8.067  -4.429  21.665
  199    HB3  ARG  26           3HB      ARG  26   7.275  -5.886  21.065
  200    HG2  ARG  26           2HG      ARG  26   8.559  -5.792  18.979
  201    HG3  ARG  26           3HG      ARG  26   9.273  -4.237  19.441
  202    HD2  ARG  26           2HD      ARG  26   9.630  -6.846  20.964
  203    HD3  ARG  26           3HD      ARG  26  10.791  -6.186  19.806
  204   HH11  ARG  26          1HH2      ARG  26  10.089  -7.292  22.849
  205   HH12  ARG  26          2HH2      ARG  26  10.946  -6.867  24.277
  206   HH21  ARG  26          1HH1      ARG  26  11.647  -3.540  23.116
  207   HH22  ARG  26          2HH1      ARG  26  11.810  -4.602  24.514
  208    H    VAL  27           H        VAL  27   7.243  -3.472  17.730
  209    HA   VAL  27           HA       VAL  27   5.463  -5.542  16.552
  210    HB   VAL  27           HB       VAL  27   5.972  -2.692  15.579
  211   HG11  VAL  27          1HG1      VAL  27   5.806  -4.226  13.664
  212   HG12  VAL  27          2HG1      VAL  27   4.333  -4.946  14.348
  213   HG13  VAL  27          3HG1      VAL  27   4.339  -3.253  13.790
  214   HG21  VAL  27          3HG2      VAL  27   3.498  -2.461  15.874
  215   HG22  VAL  27          1HG2      VAL  27   3.455  -4.073  16.616
  216   HG23  VAL  27          2HG2      VAL  27   4.327  -2.753  17.410
  217    H    HIS  28           H        HIS  28   6.403  -6.693  14.919
  218    HA   HIS  28           HA       HIS  28   9.335  -6.357  14.498
  219    HD1  HIS  28           HD1      HIS  28  10.510  -7.951  16.954
  220    HD2  HIS  28           HD2      HIS  28   6.480  -9.150  16.765
  221    HE1  HIS  28           HE1      HIS  28   9.819  -8.599  19.342
  222    HB2  HIS  28           2HB      HIS  28   7.727  -8.940  14.470
  223    HB3  HIS  28           3HB      HIS  28   9.474  -8.760  14.484
  224    H    SER  29           H        SER  29   9.969  -6.391  12.315
  225    HA   SER  29           HA       SER  29   8.024  -6.237  10.224
  226    HG   SER  29           HG       SER  29  11.168  -4.651   9.668
  227    HB2  SER  29           2HB      SER  29  10.971  -6.990  10.027
  228    HB3  SER  29           3HB      SER  29   9.957  -6.307   8.746
  229    H    ALA  30           H        ALA  30   7.103  -7.802   8.973
  230    HA   ALA  30           HA       ALA  30   8.413 -10.349   8.525
  231    HB1  ALA  30           3HB      ALA  30   6.453 -11.698   9.151
  232    HB2  ALA  30           1HB      ALA  30   7.123 -10.844  10.559
  233    HB3  ALA  30           2HB      ALA  30   5.641 -10.237   9.772
  234    HA   PRO  31           HA       PRO  31   5.746  -7.866   5.467
  235    HB2  PRO  31           2HB      PRO  31   7.649  -7.184   3.578
  236    HB3  PRO  31           3HB      PRO  31   7.275  -6.265   5.068
  237    HG2  PRO  31           2HG      PRO  31   9.494  -8.254   4.602
  238    HG3  PRO  31           3HG      PRO  31   9.584  -6.630   5.364
  239    HD2  PRO  31           2HD      PRO  31   9.393  -8.899   6.891
  240    HD3  PRO  31           3HD      PRO  31   8.557  -7.377   7.325
  241    H    ARG  32           H        ARG  32   7.585 -10.762   5.034
  242    HA   ARG  32           HA       ARG  32   5.638 -11.596   2.971
  243    HE   ARG  32           HE       ARG  32   9.589 -13.553   1.406
  244    HB2  ARG  32           2HB      ARG  32   7.923 -10.817   1.983
  245    HB3  ARG  32           3HB      ARG  32   8.581 -12.286   2.711
  246    HG2  ARG  32           2HG      ARG  32   7.015 -13.644   1.285
  247    HG3  ARG  32           3HG      ARG  32   6.353 -12.143   0.627
  248    HD2  ARG  32           2HD      ARG  32   7.975 -13.129  -0.912
  249    HD3  ARG  32           3HD      ARG  32   8.561 -11.565  -0.313
  250   HH11  ARG  32          1HH2      ARG  32   9.970 -12.668  -2.018
  251   HH12  ARG  32          2HH2      ARG  32  11.595 -13.239  -2.117
  252   HH21  ARG  32          1HH1      ARG  32  11.668 -14.271   1.299
  253   HH22  ARG  32          2HH1      ARG  32  12.610 -14.210  -0.169
  254    H    SER  33           H        SER  33   6.206 -12.056   5.990
  255    HA   SER  33           HA       SER  33   6.774 -13.657   7.505
  256    HG   SER  33           HG       SER  33   3.387 -14.540   6.836
  257    HB2  SER  33           2HB      SER  33   5.143 -15.395   5.621
  258    HB3  SER  33           3HB      SER  33   5.349 -15.607   7.369
  259    H    GLY  34           H        GLY  34   8.873 -13.297   5.621
  260    HA2  GLY  34           2HA      GLY  34  10.760 -15.260   5.907
  261    HA3  GLY  34           3HA      GLY  34   9.780 -15.821   4.532
  262    H    ALA  35           H        ALA  35  11.377 -12.838   5.797
  263    HA   ALA  35           HA       ALA  35  12.134 -12.026   3.052
  264    HB1  ALA  35           3HB      ALA  35  11.427  -9.681   3.622
  265    HB2  ALA  35           1HB      ALA  35  10.048 -10.780   3.566
  266    HB3  ALA  35           2HB      ALA  35  10.726 -10.277   5.133
  267    HA   PRO  36           HA       PRO  36  15.855 -10.995   5.370
  268    HB2  PRO  36           2HB      PRO  36  17.174  -9.309   3.684
  269    HB3  PRO  36           3HB      PRO  36  16.832 -11.004   3.248
  270    HG2  PRO  36           2HG      PRO  36  15.199  -8.551   2.502
  271    HG3  PRO  36           3HG      PRO  36  15.847  -9.818   1.407
  272    HD2  PRO  36           2HD      PRO  36  13.300  -9.904   2.373
  273    HD3  PRO  36           3HD      PRO  36  14.259 -11.394   2.136
  274    H    ALA  37           H        ALA  37  13.560  -9.732   6.377
  275    HA   ALA  37           HA       ALA  37  14.540  -7.155   7.382
  276    HB1  ALA  37           3HB      ALA  37  13.303  -6.475   5.378
  277    HB2  ALA  37           1HB      ALA  37  11.915  -7.482   5.853
  278    HB3  ALA  37           2HB      ALA  37  12.363  -6.060   6.826
  279    H    ALA  38           H        ALA  38  14.561  -7.822   9.454
  280    HA   ALA  38           HA       ALA  38  12.108  -8.905  10.718
  281    HB1  ALA  38           3HB      ALA  38  13.433 -10.651  11.827
  282    HB2  ALA  38           1HB      ALA  38  13.537 -10.830  10.068
  283    HB3  ALA  38           2HB      ALA  38  14.898 -10.121  10.971
  284    H    GLU  39           H        GLU  39  13.331  -6.250  10.674
  285    HA   GLU  39           HA       GLU  39  14.669  -5.727  13.197
  286    HB2  GLU  39           2HB      GLU  39  13.237  -3.927  11.186
  287    HB3  GLU  39           3HB      GLU  39  14.104  -3.349  12.617
  288    HG2  GLU  39           2HG      GLU  39  16.193  -4.423  11.773
  289    HG3  GLU  39           3HG      GLU  39  15.342  -4.900  10.305
  290    H    SER  40           H        SER  40  13.434  -3.973  14.692
  291    HA   SER  40           HA       SER  40  10.576  -4.384  14.850
  292    HG   SER  40           HG       SER  40  11.624  -6.608  15.053
  293    HB2  SER  40           2HB      SER  40  12.276  -5.172  17.242
  294    HB3  SER  40           3HB      SER  40  10.517  -5.294  17.091
  295    H    LYS  41           H        LYS  41   9.608  -2.946  16.492
  296    HA   LYS  41           HA       LYS  41  11.307  -1.039  17.862
  297    HB2  LYS  41           2HB      LYS  41  10.444   0.980  16.965
  298    HB3  LYS  41           3HB      LYS  41  11.065   0.054  15.608
  299    HG2  LYS  41           2HG      LYS  41   8.781  -0.528  14.898
  300    HG3  LYS  41           3HG      LYS  41   8.100   0.215  16.357
  301    HD2  LYS  41           2HD      LYS  41   9.075   2.402  15.691
  302    HD3  LYS  41           3HD      LYS  41   9.613   1.686  14.161
  303    HE2  LYS  41           2HE      LYS  41   7.325   1.309  13.450
  304    HE3  LYS  41           3HE      LYS  41   6.708   1.659  15.074
  305    HZ1  LYS  41           3HZ      LYS  41   6.406   3.538  13.576
  306    HZ2  LYS  41           1HZ      LYS  41   7.438   3.933  14.834
  307    HZ3  LYS  41           2HZ      LYS  41   8.001   3.635  13.314
  308    H    GLU  42           H        GLU  42   9.858   0.440  19.262
  309    HA   GLU  42           HA       GLU  42   7.435  -1.055  20.142
  310    HB2  GLU  42           2HB      GLU  42   9.094   1.088  21.543
  311    HB3  GLU  42           3HB      GLU  42   7.606   0.375  22.150
  312    HG2  GLU  42           2HG      GLU  42   9.275  -0.788  23.279
  313    HG3  GLU  42           3HG      GLU  42   8.693  -1.891  22.035
  314    H    ILE  43           H        ILE  43   5.454   0.065  20.372
  315    HA   ILE  43           HA       ILE  43   5.255   2.832  19.353
  316    HB   ILE  43           HB       ILE  43   3.246   2.207  18.065
  317   HG12  ILE  43          2HG1      ILE  43   4.068  -0.706  18.364
  318   HG13  ILE  43          3HG1      ILE  43   2.780   0.026  19.312
  319   HG21  ILE  43          1HG2      ILE  43   5.522   2.418  17.023
  320   HG22  ILE  43          2HG2      ILE  43   5.661   0.648  17.076
  321   HG23  ILE  43          3HG2      ILE  43   4.386   1.418  16.102
  322   HD11  ILE  43          3HD1      ILE  43   1.845  -1.192  17.449
  323   HD12  ILE  43          1HD1      ILE  43   1.501   0.536  17.295
  324   HD13  ILE  43          2HD1      ILE  43   2.758  -0.213  16.285
  325    H    VAL  44           H        VAL  44   3.341   3.913  20.038
  326    HA   VAL  44           HA       VAL  44   2.150   2.798  22.556
  327    HB   VAL  44           HB       VAL  44   2.322   5.677  21.572
  328   HG11  VAL  44          1HG1      VAL  44   1.766   6.286  23.878
  329   HG12  VAL  44          2HG1      VAL  44   0.489   5.270  23.211
  330   HG13  VAL  44          3HG1      VAL  44   1.677   4.581  24.338
  331   HG21  VAL  44          3HG2      VAL  44   4.075   6.003  23.312
  332   HG22  VAL  44          1HG2      VAL  44   4.097   4.243  23.593
  333   HG23  VAL  44          2HG2      VAL  44   4.610   4.919  22.031
  334    H    ARG  45           H        ARG  45  -0.046   2.363  22.529
  335    HA   ARG  45           HA       ARG  45  -1.775   3.584  20.424
  336    HE   ARG  45           HE       ARG  45  -0.505   3.459  18.716
  337    HB2  ARG  45           2HB      ARG  45  -1.788   0.678  21.337
  338    HB3  ARG  45           3HB      ARG  45  -2.938   1.406  20.228
  339    HG2  ARG  45           2HG      ARG  45   0.029   1.040  19.606
  340    HG3  ARG  45           3HG      ARG  45  -1.228  -0.107  19.229
  341    HD2  ARG  45           2HD      ARG  45  -1.095   0.953  17.224
  342    HD3  ARG  45           3HD      ARG  45  -2.396   1.892  17.965
  343   HH11  ARG  45          1HH2      ARG  45  -0.466   1.957  15.470
  344   HH12  ARG  45          2HH2      ARG  45   1.018   2.764  15.042
  345   HH21  ARG  45          1HH1      ARG  45   1.439   4.307  18.164
  346   HH22  ARG  45          2HH1      ARG  45   2.087   4.142  16.538
  347    H    GLY  46           H        GLY  46  -3.842   4.170  21.285
  348    HA2  GLY  46           2HA      GLY  46  -4.735   3.300  23.925
  349    HA3  GLY  46           3HA      GLY  46  -3.917   4.864  23.941
  350    H    TYR  47           H        TYR  47  -6.887   3.202  23.120
  351    HA   TYR  47           HA       TYR  47  -7.945   5.731  21.934
  352    HD1  TYR  47           HD2      TYR  47  -7.469   5.845  19.071
  353    HD2  TYR  47           HD1      TYR  47  -6.646   1.847  20.463
  354    HE1  TYR  47           HE2      TYR  47  -5.685   5.639  17.381
  355    HE2  TYR  47           HE1      TYR  47  -4.854   1.628  18.755
  356    HH   TYR  47           HH       TYR  47  -4.152   4.231  16.376
  357    HB2  TYR  47           2HB      TYR  47  -8.679   2.929  21.084
  358    HB3  TYR  47           3HB      TYR  47  -9.169   4.458  20.363
  359    H    LYS  48           H        LYS  48  -9.722   6.455  22.862
  360    HA   LYS  48           HA       LYS  48 -10.778   5.396  25.190
  361    HB2  LYS  48           2HB      LYS  48 -12.509   7.112  24.986
  362    HB3  LYS  48           3HB      LYS  48 -10.904   7.733  24.603
  363    HG2  LYS  48           2HG      LYS  48 -11.481   7.474  22.138
  364    HG3  LYS  48           3HG      LYS  48 -13.125   7.052  22.619
  365    HD2  LYS  48           2HD      LYS  48 -11.663   9.662  23.200
  366    HD3  LYS  48           3HD      LYS  48 -12.887   9.441  21.965
  367    HE2  LYS  48           2HE      LYS  48 -13.359   9.142  24.975
  368    HE3  LYS  48           3HE      LYS  48 -13.697  10.596  24.037
  369    HZ1  LYS  48           3HZ      LYS  48 -15.295   9.338  22.731
  370    HZ2  LYS  48           1HZ      LYS  48 -15.016   7.974  23.617
  371    HZ3  LYS  48           2HZ      LYS  48 -15.686   9.298  24.320
  372    H    TRP  49           H        TRP  49 -11.767   4.440  21.932
  373    HA   TRP  49           HA       TRP  49 -14.345   3.436  22.749
  374    HD1  TRP  49           HD1      TRP  49 -12.235   4.743  18.963
  375    HE1  TRP  49           HE1      TRP  49 -10.110   3.806  17.900
  376    HE3  TRP  49           HE3      TRP  49 -12.300   0.004  20.966
  377    HZ2  TRP  49           HZ2      TRP  49  -8.443   1.487  18.195
  378    HZ3  TRP  49           HZ3      TRP  49 -10.331  -1.463  20.720
  379    HH2  TRP  49           HH2      TRP  49  -8.360  -0.710  19.393
  380    HB2  TRP  49           2HB      TRP  49 -14.266   2.186  20.595
  381    HB3  TRP  49           3HB      TRP  49 -14.082   3.921  20.463
  382    H    ALA  50           H        ALA  50 -11.092   2.221  23.250
  383    HA   ALA  50           HA       ALA  50 -11.594  -0.527  22.996
  384    HB1  ALA  50           3HB      ALA  50  -9.576   0.877  24.796
  385    HB2  ALA  50           1HB      ALA  50  -9.529  -0.808  24.242
  386    HB3  ALA  50           2HB      ALA  50  -9.364   0.509  23.065
  387    H    GLU  51           H        GLU  51 -12.441  -2.045  24.243
  388    HA   GLU  51           HA       GLU  51 -13.757  -1.479  26.735
  389    HB2  GLU  51           2HB      GLU  51 -14.271  -3.354  25.117
  390    HB3  GLU  51           3HB      GLU  51 -12.805  -4.178  25.676
  391    HG2  GLU  51           2HG      GLU  51 -13.743  -4.214  27.990
  392    HG3  GLU  51           3HG      GLU  51 -15.172  -3.359  27.425
  393    H    TYR  52           H        TYR  52 -10.544  -2.745  25.880
  394    HA   TYR  52           HA       TYR  52  -9.389  -1.968  28.428
  395    HD1  TYR  52           HD2      TYR  52  -8.977  -3.201  30.876
  396    HD2  TYR  52           HD1      TYR  52 -11.744  -5.511  28.493
  397    HE1  TYR  52           HE2      TYR  52 -10.452  -3.489  32.859
  398    HE2  TYR  52           HE1      TYR  52 -13.205  -5.802  30.454
  399    HH   TYR  52           HH       TYR  52 -13.518  -5.327  32.718
  400    HB2  TYR  52           2HB      TYR  52  -9.602  -4.896  27.589
  401    HB3  TYR  52           3HB      TYR  52  -8.351  -4.333  28.676
  402    H    HIS  53           H        HIS  53  -6.970  -2.505  28.348
  403    HA   HIS  53           HA       HIS  53  -5.586  -1.686  26.038
  404    HD2  HIS  53           HD2      HIS  53  -4.331  -5.536  28.170
  405    HE1  HIS  53           HE1      HIS  53  -6.578  -4.315  31.577
  406    HE2  HIS  53           HE2      HIS  53  -5.594  -6.306  30.335
  407    HB2  HIS  53           2HB      HIS  53  -3.685  -2.999  27.252
  408    HB3  HIS  53           3HB      HIS  53  -4.441  -1.652  28.100
  409    H    ALA  54           H        ALA  54  -6.716  -4.947  27.006
  410    HA   ALA  54           HA       ALA  54  -5.313  -6.346  24.956
  411    HB1  ALA  54           3HB      ALA  54  -6.182  -7.440  26.998
  412    HB2  ALA  54           1HB      ALA  54  -7.854  -7.101  26.471
  413    HB3  ALA  54           2HB      ALA  54  -6.829  -8.205  25.535
  414    H    ASP  55           H        ASP  55  -8.326  -4.487  24.876
  415    HA   ASP  55           HA       ASP  55  -9.451  -5.748  22.511
  416    HB2  ASP  55           2HB      ASP  55 -10.650  -4.289  24.280
  417    HB3  ASP  55           3HB      ASP  55  -9.863  -2.913  23.530
  418    H    ILE  56           H        ILE  56  -7.397  -2.936  23.279
  419    HA   ILE  56           HA       ILE  56  -6.968  -2.041  20.602
  420    HB   ILE  56           HB       ILE  56  -5.065  -1.777  22.973
  421   HG12  ILE  56          2HG1      ILE  56  -7.321   0.083  22.146
  422   HG13  ILE  56          3HG1      ILE  56  -7.310  -0.961  23.575
  423   HG21  ILE  56          1HG2      ILE  56  -4.286   0.254  21.736
  424   HG22  ILE  56          2HG2      ILE  56  -4.009  -1.229  20.839
  425   HG23  ILE  56          3HG2      ILE  56  -5.371  -0.181  20.394
  426   HD11  ILE  56          3HD1      ILE  56  -5.312   0.268  24.441
  427   HD12  ILE  56          1HD1      ILE  56  -5.529   1.430  23.106
  428   HD13  ILE  56          2HD1      ILE  56  -6.799   1.232  24.319
  429    H    TYR  57           H        TYR  57  -5.064  -4.274  22.737
  430    HA   TYR  57           HA       TYR  57  -3.005  -4.749  20.907
  431    HD1  TYR  57           HD2      TYR  57  -0.819  -5.465  21.715
  432    HD2  TYR  57           HD1      TYR  57  -3.318  -8.874  22.547
  433    HE1  TYR  57           HE2      TYR  57   1.052  -6.975  21.132
  434    HE2  TYR  57           HE1      TYR  57  -1.431 -10.388  22.017
  435    HH   TYR  57           HH       TYR  57   0.819 -10.530  21.338
  436    HB2  TYR  57           2HB      TYR  57  -2.995  -5.434  23.297
  437    HB3  TYR  57           3HB      TYR  57  -4.167  -6.697  22.928
  438    H    ASP  58           H        ASP  58  -6.150  -6.515  21.193
  439    HA   ASP  58           HA       ASP  58  -5.587  -8.445  19.192
  440    HB2  ASP  58           2HB      ASP  58  -7.440  -8.683  20.751
  441    HB3  ASP  58           3HB      ASP  58  -8.234  -7.252  20.087
  442    H    LYS  59           H        LYS  59  -7.249  -5.243  18.919
  443    HA   LYS  59           HA       LYS  59  -7.754  -5.431  16.113
  444    HB2  LYS  59           2HB      LYS  59  -7.275  -3.014  17.921
  445    HB3  LYS  59           3HB      LYS  59  -7.727  -2.851  16.232
  446    HG2  LYS  59           2HG      LYS  59  -9.368  -4.331  18.321
  447    HG3  LYS  59           3HG      LYS  59  -9.609  -2.642  17.872
  448    HD2  LYS  59           2HD      LYS  59  -9.961  -5.047  16.026
  449    HD3  LYS  59           3HD      LYS  59 -11.247  -4.139  16.824
  450    HE2  LYS  59           2HE      LYS  59 -10.531  -2.071  15.616
  451    HE3  LYS  59           3HE      LYS  59  -9.303  -3.014  14.758
  452    HZ1  LYS  59           3HZ      LYS  59 -11.298  -2.759  13.440
  453    HZ2  LYS  59           1HZ      LYS  59 -11.094  -4.351  13.815
  454    HZ3  LYS  59           2HZ      LYS  59 -12.223  -3.461  14.604
  455    H    VAL  60           H        VAL  60  -5.001  -4.015  17.906
  456    HA   VAL  60           HA       VAL  60  -3.764  -3.017  15.552
  457    HB   VAL  60           HB       VAL  60  -2.774  -3.501  18.391
  458   HG11  VAL  60          1HG1      VAL  60  -0.781  -3.437  16.918
  459   HG12  VAL  60          2HG1      VAL  60  -1.360  -1.918  16.203
  460   HG13  VAL  60          3HG1      VAL  60  -0.885  -1.989  17.913
  461   HG21  VAL  60          3HG2      VAL  60  -3.112  -1.096  18.634
  462   HG22  VAL  60          1HG2      VAL  60  -3.485  -0.916  16.907
  463   HG23  VAL  60          2HG2      VAL  60  -4.602  -1.757  17.983
  464    H    SER  61           H        SER  61  -3.268  -6.102  17.423
  465    HA   SER  61           HA       SER  61  -1.142  -7.072  15.801
  466    HG   SER  61           HG       SER  61  -2.357  -7.433  18.709
  467    HB2  SER  61           2HB      SER  61  -3.334  -8.663  17.194
  468    HB3  SER  61           3HB      SER  61  -1.759  -9.275  16.644
  469    H    GLY  62           H        GLY  62  -4.701  -7.127  15.257
  470    HA2  GLY  62           2HA      GLY  62  -4.644  -8.740  12.886
  471    HA3  GLY  62           3HA      GLY  62  -5.871  -7.537  13.339
  472    H    ASP  63           H        ASP  63  -4.390  -5.162  13.420
  473    HA   ASP  63           HA       ASP  63  -4.322  -4.474  10.661
  474    HB2  ASP  63           2HB      ASP  63  -4.743  -2.848  12.510
  475    HB3  ASP  63           3HB      ASP  63  -3.033  -2.935  12.940
  476    H    MET  64           H        MET  64  -1.612  -5.037  12.988
  477    HA   MET  64           HA       MET  64   0.436  -4.432  11.139
  478    HB2  MET  64           2HB      MET  64   0.328  -6.024  13.709
  479    HB3  MET  64           3HB      MET  64   1.761  -6.123  12.695
  480    HG2  MET  64           2HG      MET  64   2.120  -4.391  14.306
  481    HG3  MET  64           3HG      MET  64   2.003  -3.670  12.703
  482    HE1  MET  64           3HE      MET  64   0.496  -1.727  12.140
  483    HE2  MET  64           1HE      MET  64  -0.255  -0.788  13.447
  484    HE3  MET  64           2HE      MET  64   1.487  -1.140  13.504
  485    H    GLN  65           H        GLN  65  -1.309  -7.532  11.688
  486    HA   GLN  65           HA       GLN  65   0.413  -9.044   9.949
  487    HB2  GLN  65           2HB      GLN  65  -2.446  -9.390  10.913
  488    HB3  GLN  65           3HB      GLN  65  -1.682 -10.537   9.800
  489    HG2  GLN  65           2HG      GLN  65   0.094 -11.032  11.368
  490    HG3  GLN  65           3HG      GLN  65  -0.422  -9.754  12.463
  491   HE21  GLN  65          2HE2      GLN  65  -2.433  -9.982  13.596
  492   HE22  GLN  65          1HE2      GLN  65  -3.128 -11.583  13.896
  493    H    LYS  66           H        LYS  66  -2.445  -6.955   9.296
  494    HA   LYS  66           HA       LYS  66  -2.486  -7.610   6.478
  495    HB2  LYS  66           2HB      LYS  66  -3.593  -5.182   7.959
  496    HB3  LYS  66           3HB      LYS  66  -3.855  -5.536   6.251
  497    HG2  LYS  66           2HG      LYS  66  -4.900  -7.712   6.850
  498    HG3  LYS  66           3HG      LYS  66  -4.730  -7.325   8.563
  499    HD2  LYS  66           2HD      LYS  66  -6.347  -5.709   6.546
  500    HD3  LYS  66           3HD      LYS  66  -7.008  -6.906   7.673
  501    HE2  LYS  66           2HE      LYS  66  -6.168  -5.565   9.595
  502    HE3  LYS  66           3HE      LYS  66  -5.546  -4.346   8.474
  503    HZ1  LYS  66           3HZ      LYS  66  -7.810  -3.959   7.729
  504    HZ2  LYS  66           1HZ      LYS  66  -8.401  -5.088   8.768
  505    HZ3  LYS  66           2HZ      LYS  66  -7.687  -3.712   9.338
  506    H    GLN  67           H        GLN  67  -0.622  -5.279   8.428
  507    HA   GLN  67           HA       GLN  67   0.370  -3.803   6.148
  508    HB2  GLN  67           2HB      GLN  67   1.757  -4.191   8.844
  509    HB3  GLN  67           3HB      GLN  67   2.150  -2.999   7.623
  510    HG2  GLN  67           2HG      GLN  67  -0.369  -3.101   9.305
  511    HG3  GLN  67           3HG      GLN  67   0.967  -1.996   9.499
  512   HE21  GLN  67          2HE2      GLN  67  -1.745  -1.202   9.240
  513   HE22  GLN  67          1HE2      GLN  67  -1.887  -0.307   7.733
  514    H    GLY  68           H        GLY  68   1.778  -6.359   8.174
  515    HA2  GLY  68           2HA      GLY  68   2.970  -8.218   6.801
  516    HA3  GLY  68           3HA      GLY  68   3.906  -6.853   6.153
  517    H    CYS  69           H        CYS  69   2.654  -7.425   9.502
  518    HA   CYS  69           HA       CYS  69   5.378  -7.622  10.607
  519    HG   CYS  69           HG       CYS  69   5.167  -3.645  10.985
  520    HB2  CYS  69           2HB      CYS  69   3.303  -5.458  11.196
  521    HB3  CYS  69           3HB      CYS  69   4.648  -5.845  12.282
  522    H    ASP  70           H        ASP  70   5.099  -7.943  13.078
  523    HA   ASP  70           HA       ASP  70   2.548  -9.221  13.892
  524    HB2  ASP  70           2HB      ASP  70   4.028 -11.055  13.115
  525    HB3  ASP  70           3HB      ASP  70   5.300 -10.481  14.200
  526    H    CYS  71           H        CYS  71   2.636  -9.493  16.393
  527    HA   CYS  71           HA       CYS  71   3.966  -7.063  17.521
  528    HG   CYS  71           HG       CYS  71   0.190  -5.845  16.996
  529    HB2  CYS  71           2HB      CYS  71   1.126  -8.087  17.920
  530    HB3  CYS  71           3HB      CYS  71   1.847  -6.738  18.803
  531    H    GLU  72           H        GLU  72   4.225  -6.998  19.775
  532    HA   GLU  72           HA       GLU  72   3.833  -9.398  21.450
  533    HB2  GLU  72           2HB      GLU  72   6.070  -9.692  20.613
  534    HB3  GLU  72           3HB      GLU  72   6.455  -7.980  20.810
  535    HG2  GLU  72           2HG      GLU  72   6.360  -8.224  23.262
  536    HG3  GLU  72           3HG      GLU  72   5.926  -9.923  23.087
  537    H    CYS  73           H        CYS  73   2.499  -8.471  23.014
  538    HA   CYS  73           HA       CYS  73   2.499  -5.670  23.693
  539    HG   CYS  73           HG       CYS  73   0.092  -8.881  25.739
  540    HB2  CYS  73           2HB      CYS  73   1.238  -6.582  25.755
  541    HB3  CYS  73           3HB      CYS  73   0.492  -6.806  24.170
  542    H    LEU  74           H        LEU  74   3.666  -4.558  25.180
  543    HA   LEU  74           HA       LEU  74   5.729  -6.054  26.756
  544    HG   LEU  74           HG       LEU  74   6.173  -4.350  23.938
  545    HB2  LEU  74           2HB      LEU  74   5.666  -3.117  25.979
  546    HB3  LEU  74           3HB      LEU  74   6.942  -3.962  26.849
  547   HD11  LEU  74          1HD1      LEU  74   8.621  -3.203  25.359
  548   HD12  LEU  74          2HD1      LEU  74   8.536  -3.515  23.622
  549   HD13  LEU  74          3HD1      LEU  74   7.450  -2.323  24.355
  550   HD21  LEU  74          3HD2      LEU  74   8.073  -5.902  23.778
  551   HD22  LEU  74          1HD2      LEU  74   8.339  -5.796  25.536
  552   HD23  LEU  74          2HD2      LEU  74   6.865  -6.539  24.873
  553    H    GLY  75           H        GLY  75   2.802  -4.269  27.015
  554    HA2  GLY  75           2HA      GLY  75   2.180  -4.769  29.585
  555    HA3  GLY  75           3HA      GLY  75   3.245  -3.381  29.764
  556    H    GLY  76           H        GLY  76   0.910  -2.756  30.642
  557    HA2  GLY  76           2HA      GLY  76   0.034  -0.762  28.678
  558    HA3  GLY  76           3HA      GLY  76  -1.242  -1.820  29.282
  559    H    GLY  77           H        GLY  77  -1.765   0.602  29.864
  560    HA2  GLY  77           2HA      GLY  77  -1.731   0.890  32.687
  561    HA3  GLY  77           3HA      GLY  77  -0.575   2.024  31.959
  562    H    ARG  78           H        ARG  78  -1.939   3.844  32.520
  563    HA   ARG  78           HA       ARG  78  -4.313   4.201  30.745
  564    HE   ARG  78           HE       ARG  78  -5.321   3.032  35.944
  565    HB2  ARG  78           2HB      ARG  78  -4.115   4.479  33.767
  566    HB3  ARG  78           3HB      ARG  78  -5.240   5.490  32.854
  567    HG2  ARG  78           2HG      ARG  78  -6.497   3.688  32.062
  568    HG3  ARG  78           3HG      ARG  78  -5.252   2.497  32.407
  569    HD2  ARG  78           2HD      ARG  78  -6.809   4.016  34.534
  570    HD3  ARG  78           3HD      ARG  78  -7.239   2.411  33.941
  571   HH11  ARG  78          1HH2      ARG  78  -5.600   0.718  33.216
  572   HH12  ARG  78          2HH2      ARG  78  -4.642  -0.475  34.056
  573   HH21  ARG  78          1HH1      ARG  78  -4.326   1.360  37.021
  574   HH22  ARG  78          2HH1      ARG  78  -4.158  -0.208  36.277
  575    H    ILE  79           H        ILE  79  -4.386   6.151  29.792
  576    HA   ILE  79           HA       ILE  79  -2.235   8.119  30.432
  577    HB   ILE  79           HB       ILE  79  -3.856   7.628  27.886
  578   HG12  ILE  79          2HG1      ILE  79  -0.847   7.386  28.361
  579   HG13  ILE  79          3HG1      ILE  79  -1.965   6.034  28.293
  580   HG21  ILE  79          1HG2      ILE  79  -2.559   9.477  26.878
  581   HG22  ILE  79          2HG2      ILE  79  -3.464  10.057  28.257
  582   HG23  ILE  79          3HG2      ILE  79  -1.724   9.745  28.425
  583   HD11  ILE  79          3HD1      ILE  79  -1.265   7.910  26.000
  584   HD12  ILE  79          1HD1      ILE  79  -0.844   6.209  26.169
  585   HD13  ILE  79          2HD1      ILE  79  -2.542   6.671  25.930
  586    H    SER  80           H        SER  80  -3.000   9.770  31.585
  587    HA   SER  80           HA       SER  80  -5.857  10.525  31.634
  588    HG   SER  80           HG       SER  80  -4.181  10.503  34.859
  589    HB2  SER  80           2HB      SER  80  -3.519  11.809  33.086
  590    HB3  SER  80           3HB      SER  80  -5.249  11.942  33.445
  591    H    HIS  81           H        HIS  81  -5.964  11.104  29.389
  592    HA   HIS  81           HA       HIS  81  -3.914  12.655  28.141
  593    HD1  HIS  81           HD1      HIS  81  -3.390  11.749  25.501
  594    HD2  HIS  81           HD2      HIS  81  -6.761  14.269  25.289
  595    HE1  HIS  81           HE1      HIS  81  -3.096  13.187  23.414
  596    HB2  HIS  81           2HB      HIS  81  -5.660  11.129  27.058
  597    HB3  HIS  81           3HB      HIS  81  -6.804  12.464  27.232
  598    H    GLN  82           H        GLN  82  -4.305  14.823  27.129
  599    HA   GLN  82           HA       GLN  82  -4.903  16.898  28.971
  600    HB2  GLN  82           2HB      GLN  82  -3.434  17.134  26.997
  601    HB3  GLN  82           3HB      GLN  82  -4.792  16.814  25.920
  602    HG2  GLN  82           2HG      GLN  82  -4.306  19.168  25.907
  603    HG3  GLN  82           3HG      GLN  82  -5.875  18.929  26.650
  604   HE21  GLN  82          2HE2      GLN  82  -2.636  20.142  27.107
  605   HE22  GLN  82          1HE2      GLN  82  -2.905  20.840  28.685
  606    H    SER  83           H        SER  83  -6.780  18.205  29.143
  607    HA   SER  83           HA       SER  83  -9.301  17.220  27.900
  608    HG   SER  83           HG       SER  83  -8.581  16.555  31.844
  609    HB2  SER  83           2HB      SER  83 -10.219  17.006  30.261
  610    HB3  SER  83           3HB      SER  83  -9.039  15.774  29.783
  611    H    GLN  84           H        GLN  84  -8.136  19.314  30.563
  612    HA   GLN  84           HA       GLN  84  -9.419  21.702  29.381
  613    HB2  GLN  84           2HB      GLN  84 -11.113  20.402  30.752
  614    HB3  GLN  84           3HB      GLN  84 -10.086  20.619  32.164
  615    HG2  GLN  84           2HG      GLN  84 -11.926  22.229  32.153
  616    HG3  GLN  84           3HG      GLN  84 -10.400  23.082  32.010
  617   HE21  GLN  84          2HE2      GLN  84 -10.254  24.596  30.350
  618   HE22  GLN  84          1HE2      GLN  84 -11.351  24.656  28.980
  619    H    ASP  85           H        ASP  85  -6.874  21.572  29.229
  620    HA   ASP  85           HA       ASP  85  -4.823  22.236  29.823
  621    HB2  ASP  85           2HB      ASP  85  -5.820  24.433  29.769
  622    HB3  ASP  85           3HB      ASP  85  -6.284  24.312  31.466
  623    H    LYS  86           H        LYS  86  -5.046  20.029  30.828
  624    HA   LYS  86           HA       LYS  86  -3.980  20.168  33.610
  625    HB2  LYS  86           2HB      LYS  86  -5.819  18.025  32.449
  626    HB3  LYS  86           3HB      LYS  86  -5.049  17.930  34.031
  627    HG2  LYS  86           2HG      LYS  86  -7.030  20.091  33.206
  628    HG3  LYS  86           3HG      LYS  86  -7.452  18.644  34.101
  629    HD2  LYS  86           2HD      LYS  86  -6.298  19.291  36.036
  630    HD3  LYS  86           3HD      LYS  86  -5.307  20.489  35.218
  631    HE2  LYS  86           2HE      LYS  86  -8.312  20.760  35.612
  632    HE3  LYS  86           3HE      LYS  86  -7.075  21.455  36.669
  633    HZ1  LYS  86           3HZ      LYS  86  -6.208  22.602  34.594
  634    HZ2  LYS  86           1HZ      LYS  86  -7.565  22.168  33.836
  635    HZ3  LYS  86           2HZ      LYS  86  -7.667  23.139  35.153
  636    H    LYS  87           H        LYS  87  -3.340  19.355  30.434
  637    HA   LYS  87           HA       LYS  87  -1.691  18.462  29.343
  638    HB2  LYS  87           2HB      LYS  87   0.217  19.228  29.924
  639    HB3  LYS  87           3HB      LYS  87  -0.393  19.628  31.500
  640    HG2  LYS  87           2HG      LYS  87   1.116  17.098  30.722
  641    HG3  LYS  87           3HG      LYS  87   1.768  18.479  31.566
  642    HD2  LYS  87           2HD      LYS  87  -0.392  16.683  32.713
  643    HD3  LYS  87           3HD      LYS  87   1.328  16.532  33.037
  644    HE2  LYS  87           2HE      LYS  87   1.472  18.551  34.225
  645    HE3  LYS  87           3HE      LYS  87  -0.025  19.183  33.520
  646    HZ1  LYS  87           3HZ      LYS  87   0.049  16.930  35.423
  647    HZ2  LYS  87           1HZ      LYS  87  -0.344  18.483  35.808
  648    HZ3  LYS  87           2HZ      LYS  87  -1.286  17.647  34.741
  649    H    ILE  88           H        ILE  88  -0.325  16.470  28.895
  650    HA   ILE  88           HA       ILE  88  -2.007  14.186  29.589
  651    HB   ILE  88           HB       ILE  88   0.597  14.300  28.014
  652   HG12  ILE  88          2HG1      ILE  88  -2.312  14.124  27.083
  653   HG13  ILE  88          3HG1      ILE  88  -1.298  15.556  26.974
  654   HG21  ILE  88          1HG2      ILE  88   0.175  12.035  28.978
  655   HG22  ILE  88          2HG2      ILE  88  -1.468  12.063  28.313
  656   HG23  ILE  88          3HG2      ILE  88  -0.048  12.009  27.239
  657   HD11  ILE  88          3HD1      ILE  88  -0.922  12.961  25.437
  658   HD12  ILE  88          1HD1      ILE  88  -1.354  14.556  24.818
  659   HD13  ILE  88          2HD1      ILE  88   0.273  14.284  25.474
  660    H    HIS  89           H        HIS  89  -1.638  12.681  31.116
  661    HA   HIS  89           HA       HIS  89   1.018  12.446  32.371
  662    HD1  HIS  89           HD1      HIS  89   2.044  13.425  34.865
  663    HD2  HIS  89           HD2      HIS  89  -0.913  10.575  35.779
  664    HE1  HIS  89           HE1      HIS  89   2.909  12.102  36.881
  665    HB2  HIS  89           2HB      HIS  89  -0.506  13.814  33.860
  666    HB3  HIS  89           3HB      HIS  89  -1.573  12.413  33.962
  667    H    VAL  90           H        VAL  90   1.280  10.150  33.205
  668    HA   VAL  90           HA       VAL  90  -0.766   8.246  32.213
  669    HB   VAL  90           HB       VAL  90   2.204   7.896  31.664
  670   HG11  VAL  90          1HG1      VAL  90  -0.251   6.542  30.471
  671   HG12  VAL  90          2HG1      VAL  90   1.435   6.191  30.070
  672   HG13  VAL  90          3HG1      VAL  90   0.811   5.837  31.696
  673   HG21  VAL  90          3HG2      VAL  90   1.595   9.806  30.298
  674   HG22  VAL  90          1HG2      VAL  90   1.689   8.390  29.254
  675   HG23  VAL  90          2HG2      VAL  90   0.104   9.009  29.759
  676    H    TYR  91           H        TYR  91  -0.926   6.358  33.493
  677    HA   TYR  91           HA       TYR  91   0.950   5.888  35.667
  678    HD1  TYR  91           HD1      TYR  91  -2.633   7.906  34.770
  679    HD2  TYR  91           HD2      TYR  91  -2.424   5.332  38.236
  680    HE1  TYR  91           HE1      TYR  91  -5.090   7.666  34.743
  681    HE2  TYR  91           HE2      TYR  91  -4.864   5.078  38.210
  682    HH   TYR  91           HH       TYR  91  -6.848   5.680  37.165
  683    HB2  TYR  91           2HB      TYR  91  -0.458   6.410  37.475
  684    HB3  TYR  91           3HB      TYR  91  -0.557   7.815  36.445
  685    H    GLY  92           H        GLY  92  -0.270   4.155  37.233
  686    HA2  GLY  92           2HA      GLY  92  -1.538   2.278  37.516
  687    HA3  GLY  92           3HA      GLY  92  -2.335   2.620  35.980
  688    H    TYR  93           H        TYR  93  -2.232   0.235  35.827
  689    HA   TYR  93           HA       TYR  93  -0.136  -0.523  34.048
  690    HD1  TYR  93           HD2      TYR  93   0.256  -0.279  38.126
  691    HD2  TYR  93           HD1      TYR  93  -0.849  -4.126  36.515
  692    HE1  TYR  93           HE2      TYR  93  -0.402  -1.034  40.393
  693    HE2  TYR  93           HE1      TYR  93  -1.481  -4.898  38.780
  694    HH   TYR  93           HH       TYR  93  -1.633  -4.341  41.045
  695    HB2  TYR  93           2HB      TYR  93   0.539  -2.594  35.247
  696    HB3  TYR  93           3HB      TYR  93   1.124  -1.110  35.954
  697    H    SER  94           H        SER  94  -0.626  -2.894  33.296
  698    HA   SER  94           HA       SER  94  -3.572  -3.405  33.324
  699    HG   SER  94           HG       SER  94  -4.032  -2.193  30.837
  700    HB2  SER  94           2HB      SER  94  -1.570  -3.422  31.034
  701    HB3  SER  94           3HB      SER  94  -3.190  -4.116  30.934
  702    H    MET  95           H        MET  95  -3.706  -5.168  34.589
  703    HA   MET  95           HA       MET  95  -1.625  -6.866  35.286
  704    HB2  MET  95           2HB      MET  95  -4.628  -7.385  35.356
  705    HB3  MET  95           3HB      MET  95  -3.415  -8.332  36.226
  706    HG2  MET  95           2HG      MET  95  -2.727  -6.347  37.497
  707    HG3  MET  95           3HG      MET  95  -3.911  -5.357  36.634
  708    HE1  MET  95           3HE      MET  95  -5.460  -5.460  40.209
  709    HE2  MET  95           1HE      MET  95  -3.741  -5.351  39.773
  710    HE3  MET  95           2HE      MET  95  -4.955  -4.433  38.851
  711    H    ALA  96           H        ALA  96  -3.659  -7.146  32.431
  712    HA   ALA  96           HA       ALA  96  -3.331  -9.910  31.895
  713    HB1  ALA  96           3HB      ALA  96  -4.946  -8.453  30.704
  714    HB2  ALA  96           1HB      ALA  96  -3.582  -7.599  29.915
  715    HB3  ALA  96           2HB      ALA  96  -3.881  -9.310  29.576
  716    H    TYR  97           H        TYR  97  -1.060  -7.215  31.506
  717    HA   TYR  97           HA       TYR  97   0.861  -9.022  30.079
  718    HD1  TYR  97           HD1      TYR  97  -0.313  -9.487  28.188
  719    HD2  TYR  97           HD2      TYR  97  -0.899  -5.225  27.821
  720    HE1  TYR  97           HE1      TYR  97  -2.084  -9.883  26.529
  721    HE2  TYR  97           HE2      TYR  97  -2.644  -5.613  26.098
  722    HH   TYR  97           HH       TYR  97  -3.661  -8.923  25.145
  723    HB2  TYR  97           2HB      TYR  97   0.409  -6.061  29.588
  724    HB3  TYR  97           3HB      TYR  97   1.536  -7.106  28.726
  725    H    GLY  98           H        GLY  98   0.494  -6.017  32.027
  726    HA2  GLY  98           2HA      GLY  98   1.844  -6.219  34.183
  727    HA3  GLY  98           3HA      GLY  98   3.245  -6.301  33.096
  728    HA   PRO  99           HA       PRO  99   2.167  -1.733  33.810
  729    HB2  PRO  99           2HB      PRO  99   4.989  -1.760  34.821
  730    HB3  PRO  99           3HB      PRO  99   3.577  -0.869  35.453
  731    HG2  PRO  99           2HG      PRO  99   4.591  -3.072  36.729
  732    HG3  PRO  99           3HG      PRO  99   2.831  -2.752  36.676
  733    HD2  PRO  99           2HD      PRO  99   4.446  -4.652  34.969
  734    HD3  PRO  99           3HD      PRO  99   2.845  -4.891  35.734
  735    H    ALA 100           H        ALA 100   2.434  -0.765  31.851
  736    HA   ALA 100           HA       ALA 100   4.442  -1.545  29.928
  737    HB1  ALA 100           3HB      ALA 100   3.811   0.651  28.854
  738    HB2  ALA 100           1HB      ALA 100   2.441  -0.418  29.145
  739    HB3  ALA 100           2HB      ALA 100   2.729   0.946  30.239
  740    H    GLN 101           H        GLN 101   6.236  -0.195  29.223
  741    HA   GLN 101           HA       GLN 101   7.737   0.920  31.484
  742    HB2  GLN 101           2HB      GLN 101   8.532   0.427  28.583
  743    HB3  GLN 101           3HB      GLN 101   9.589   1.021  29.869
  744    HG2  GLN 101           2HG      GLN 101  10.089  -1.245  29.869
  745    HG3  GLN 101           3HG      GLN 101   8.916  -1.138  31.173
  746   HE21  GLN 101          2HE2      GLN 101   7.069  -2.568  31.012
  747   HE22  GLN 101          1HE2      GLN 101   6.690  -3.447  29.559
  748    H    HIS 102           H        HIS 102   6.022   2.534  31.710
  749    HA   HIS 102           HA       HIS 102   5.095   4.294  29.867
  750    HD1  HIS 102           HD1      HIS 102   4.673   2.773  33.983
  751    HD2  HIS 102           HD2      HIS 102   2.319   4.292  30.851
  752    HE1  HIS 102           HE1      HIS 102   2.525   1.426  33.970
  753    HB2  HIS 102           2HB      HIS 102   5.654   4.946  32.782
  754    HB3  HIS 102           3HB      HIS 102   4.527   5.804  31.735
  755    H    ALA 103           H        ALA 103   8.347   4.589  31.284
  756    HA   ALA 103           HA       ALA 103   8.775   7.326  30.555
  757    HB1  ALA 103           3HB      ALA 103  10.771   5.019  30.715
  758    HB2  ALA 103           1HB      ALA 103  11.165   6.749  30.676
  759    HB3  ALA 103           2HB      ALA 103  10.286   6.076  32.062
  760    H    ILE 104           H        ILE 104   9.087   4.260  28.683
  761    HA   ILE 104           HA       ILE 104  10.258   5.496  26.346
  762    HB   ILE 104           HB       ILE 104   8.636   2.917  26.628
  763   HG12  ILE 104          2HG1      ILE 104  11.657   3.361  26.749
  764   HG13  ILE 104          3HG1      ILE 104  10.621   2.904  28.102
  765   HG21  ILE 104          1HG2      ILE 104  10.550   3.783  24.418
  766   HG22  ILE 104          2HG2      ILE 104   9.670   2.243  24.505
  767   HG23  ILE 104          3HG2      ILE 104   8.776   3.739  24.293
  768   HD11  ILE 104          3HD1      ILE 104  11.694   0.921  27.407
  769   HD12  ILE 104          1HD1      ILE 104  10.015   0.793  26.845
  770   HD13  ILE 104          2HD1      ILE 104  11.317   1.196  25.700
  771    H    SER 105           H        SER 105   6.910   4.451  27.251
  772    HA   SER 105           HA       SER 105   5.597   5.380  25.032
  773    HG   SER 105           HG       SER 105   4.028   3.307  27.572
  774    HB2  SER 105           2HB      SER 105   4.457   5.533  27.844
  775    HB3  SER 105           3HB      SER 105   3.603   5.176  26.331
  776    H    THR 106           H        THR 106   6.291   7.295  28.046
  777    HA   THR 106           HA       THR 106   4.807   9.536  27.059
  778    HB   THR 106           HB       THR 106   6.015  10.774  28.932
  779    HG1  THR 106           1HG      THR 106   6.781   8.140  29.675
  780   HG21  THR 106          3HG2      THR 106   3.746   9.679  29.076
  781   HG22  THR 106          1HG2      THR 106   4.522   8.250  29.771
  782   HG23  THR 106          2HG2      THR 106   4.620   9.820  30.601
  783    H    GLU 107           H        GLU 107   8.332   8.731  26.881
  784    HA   GLU 107           HA       GLU 107   9.037  11.253  25.743
  785    HB2  GLU 107           2HB      GLU 107  10.261   8.473  25.552
  786    HB3  GLU 107           3HB      GLU 107  10.977   9.878  24.763
  787    HG2  GLU 107           2HG      GLU 107  10.434   9.745  27.761
  788    HG3  GLU 107           3HG      GLU 107  11.968   9.317  27.009
  789    H    LYS 108           H        LYS 108   7.868   8.197  24.288
  790    HA   LYS 108           HA       LYS 108   8.098   9.070  21.553
  791    HB2  LYS 108           2HB      LYS 108   6.486   6.945  23.000
  792    HB3  LYS 108           3HB      LYS 108   6.212   7.273  21.279
  793    HG2  LYS 108           2HG      LYS 108   8.558   6.848  20.761
  794    HG3  LYS 108           3HG      LYS 108   8.922   6.573  22.472
  795    HD2  LYS 108           2HD      LYS 108   7.466   4.619  22.528
  796    HD3  LYS 108           3HD      LYS 108   6.946   4.881  20.855
  797    HE2  LYS 108           2HE      LYS 108   9.894   4.630  21.506
  798    HE3  LYS 108           3HE      LYS 108   8.905   3.168  21.419
  799    HZ1  LYS 108           3HZ      LYS 108   8.480   3.487  19.191
  800    HZ2  LYS 108           1HZ      LYS 108   8.804   5.072  19.171
  801    HZ3  LYS 108           2HZ      LYS 108  10.040   3.968  19.288
  802    H    ILE 109           H        ILE 109   5.299   9.239  23.862
  803    HA   ILE 109           HA       ILE 109   3.582  10.641  22.070
  804    HB   ILE 109           HB       ILE 109   3.751  10.737  25.101
  805   HG12  ILE 109          2HG1      ILE 109   1.686   9.233  23.429
  806   HG13  ILE 109          3HG1      ILE 109   3.183   8.475  23.914
  807   HG21  ILE 109          1HG2      ILE 109   1.400  11.575  23.333
  808   HG22  ILE 109          2HG2      ILE 109   1.467  11.646  25.107
  809   HG23  ILE 109          3HG2      ILE 109   2.474  12.715  24.152
  810   HD11  ILE 109          3HD1      ILE 109   1.053   9.564  25.805
  811   HD12  ILE 109          1HD1      ILE 109   1.460   7.873  25.506
  812   HD13  ILE 109          2HD1      ILE 109   2.631   8.921  26.320
  813    H    LYS 110           H        LYS 110   6.133  11.863  24.339
  814    HA   LYS 110           HA       LYS 110   5.575  14.597  23.855
  815    HB2  LYS 110           2HB      LYS 110   6.940  13.500  25.704
  816    HB3  LYS 110           3HB      LYS 110   8.305  13.437  24.585
  817    HG2  LYS 110           2HG      LYS 110   8.320  15.865  24.384
  818    HG3  LYS 110           3HG      LYS 110   6.785  16.001  25.247
  819    HD2  LYS 110           2HD      LYS 110   9.450  15.137  26.450
  820    HD3  LYS 110           3HD      LYS 110   8.591  16.672  26.699
  821    HE2  LYS 110           2HE      LYS 110   6.619  15.164  27.528
  822    HE3  LYS 110           3HE      LYS 110   7.845  13.892  27.675
  823    HZ1  LYS 110           3HZ      LYS 110   9.038  15.461  29.187
  824    HZ2  LYS 110           1HZ      LYS 110   7.717  16.487  29.074
  825    HZ3  LYS 110           2HZ      LYS 110   7.524  15.037  29.731
  826    H    ALA 111           H        ALA 111   7.749  12.338  22.094
  827    HA   ALA 111           HA       ALA 111   8.752  14.277  20.266
  828    HB1  ALA 111           3HB      ALA 111   9.354  12.335  18.884
  829    HB2  ALA 111           1HB      ALA 111   9.755  12.033  20.588
  830    HB3  ALA 111           2HB      ALA 111   8.317  11.279  19.862
  831    H    LYS 112           H        LYS 112   5.833  12.166  20.144
  832    HA   LYS 112           HA       LYS 112   4.917  13.054  17.583
  833    HB2  LYS 112           2HB      LYS 112   4.148  11.007  18.836
  834    HB3  LYS 112           3HB      LYS 112   3.313  12.039  19.980
  835    HG2  LYS 112           2HG      LYS 112   1.688  11.183  18.470
  836    HG3  LYS 112           3HG      LYS 112   1.860  12.895  18.107
  837    HD2  LYS 112           2HD      LYS 112   3.239  12.373  16.125
  838    HD3  LYS 112           3HD      LYS 112   3.295  10.668  16.587
  839    HE2  LYS 112           2HE      LYS 112   1.712  10.871  14.811
  840    HE3  LYS 112           3HE      LYS 112   0.829  10.491  16.288
  841    HZ1  LYS 112           3HZ      LYS 112   1.079  13.188  15.079
  842    HZ2  LYS 112           1HZ      LYS 112  -0.248  12.226  14.992
  843    HZ3  LYS 112           2HZ      LYS 112   0.221  12.848  16.436
  844    H    TYR 113           H        TYR 113   4.661  14.436  20.797
  845    HA   TYR 113           HA       TYR 113   3.868  16.292  21.665
  846    HD1  TYR 113           HD2      TYR 113   6.010  17.795  22.443
  847    HD2  TYR 113           HD1      TYR 113   3.489  19.834  19.606
  848    HE1  TYR 113           HE2      TYR 113   6.108  19.843  23.843
  849    HE2  TYR 113           HE1      TYR 113   3.590  21.892  20.989
  850    HH   TYR 113           HH       TYR 113   5.443  22.048  24.053
  851    HB2  TYR 113           2HB      TYR 113   5.734  17.024  20.063
  852    HB3  TYR 113           3HB      TYR 113   4.469  17.677  19.046
  853    HA   PRO 114           HA       PRO 114  -0.334  16.287  19.582
  854    HB2  PRO 114           2HB      PRO 114  -1.774  14.666  21.214
  855    HB3  PRO 114           3HB      PRO 114  -0.758  14.007  19.893
  856    HG2  PRO 114           2HG      PRO 114  -0.050  14.260  22.832
  857    HG3  PRO 114           3HG      PRO 114   0.124  12.827  21.769
  858    HD2  PRO 114           2HD      PRO 114   2.187  14.576  22.292
  859    HD3  PRO 114           3HD      PRO 114   2.013  13.713  20.734
  860    H    ASP 115           H        ASP 115   1.144  16.938  22.655
  861    HA   ASP 115           HA       ASP 115  -0.743  19.056  23.294
  862    HB2  ASP 115           2HB      ASP 115  -1.716  17.117  24.500
  863    HB3  ASP 115           3HB      ASP 115  -0.130  16.772  25.210
  864    H    TYR 116           H        TYR 116   0.201  20.321  25.144
  865    HA   TYR 116           HA       TYR 116   2.779  21.196  24.460
  866    HD1  TYR 116           HD1      TYR 116   3.121  23.884  24.723
  867    HD2  TYR 116           HD2      TYR 116   2.577  22.303  28.698
  868    HE1  TYR 116           HE1      TYR 116   4.836  25.457  25.585
  869    HE2  TYR 116           HE2      TYR 116   4.279  23.861  29.568
  870    HH   TYR 116           HH       TYR 116   5.785  25.554  29.042
  871    HB2  TYR 116           2HB      TYR 116   1.010  22.570  25.468
  872    HB3  TYR 116           3HB      TYR 116   1.098  21.638  26.955
  873    H    GLU 117           H        GLU 117   1.840  18.792  26.986
  874    HA   GLU 117           HA       GLU 117   4.672  18.320  27.570
  875    HB2  GLU 117           2HB      GLU 117   4.065  20.256  28.993
  876    HB3  GLU 117           3HB      GLU 117   2.686  19.378  29.632
  877    HG2  GLU 117           2HG      GLU 117   4.500  19.426  31.242
  878    HG3  GLU 117           3HG      GLU 117   4.218  17.773  30.741
  879    H    VAL 118           H        VAL 118   4.961  16.390  28.882
  880    HA   VAL 118           HA       VAL 118   2.635  14.599  29.178
  881    HB   VAL 118           HB       VAL 118   5.144  13.628  27.771
  882   HG11  VAL 118          1HG1      VAL 118   2.325  12.481  27.820
  883   HG12  VAL 118          2HG1      VAL 118   3.782  11.726  27.155
  884   HG13  VAL 118          3HG1      VAL 118   3.634  11.973  28.898
  885   HG21  VAL 118          3HG2      VAL 118   4.218  15.262  26.201
  886   HG22  VAL 118          1HG2      VAL 118   3.957  13.622  25.623
  887   HG23  VAL 118          2HG2      VAL 118   2.606  14.529  26.356
  888    H    THR 119           H        THR 119   2.920  13.302  31.021
  889    HA   THR 119           HA       THR 119   5.604  13.029  32.240
  890    HB   THR 119           HB       THR 119   4.488  13.632  34.475
  891    HG1  THR 119           1HG      THR 119   2.617  14.751  32.658
  892   HG21  THR 119          3HG2      THR 119   6.133  15.114  33.388
  893   HG22  THR 119          1HG2      THR 119   4.818  15.944  32.526
  894   HG23  THR 119          2HG2      THR 119   4.903  16.000  34.301
  895    H    TRP 120           H        TRP 120   5.396  11.426  34.223
  896    HA   TRP 120           HA       TRP 120   2.996   9.843  34.188
  897    HD1  TRP 120           HD1      TRP 120   6.839   9.690  32.131
  898    HE1  TRP 120           HE1      TRP 120   9.094   8.700  32.758
  899    HE3  TRP 120           HE3      TRP 120   5.245   6.130  35.452
  900    HZ2  TRP 120           HZ2      TRP 120  10.108   6.595  34.493
  901    HZ3  TRP 120           HZ3      TRP 120   6.883   4.629  36.555
  902    HH2  TRP 120           HH2      TRP 120   9.309   4.855  36.089
  903    HB2  TRP 120           2HB      TRP 120   4.028   7.685  33.834
  904    HB3  TRP 120           3HB      TRP 120   4.278   8.680  32.430
  905    H    ALA 121           H        ALA 121   3.032   8.190  35.898
  906    HA   ALA 121           HA       ALA 121   5.084   8.284  37.959
  907    HB1  ALA 121           3HB      ALA 121   3.543  10.119  38.682
  908    HB2  ALA 121           1HB      ALA 121   2.171   8.990  38.602
  909    HB3  ALA 121           2HB      ALA 121   3.470   8.738  39.788
  910    H    ASN 122           H        ASN 122   4.249   6.508  39.722
  911    HA   ASN 122           HA       ASN 122   2.330   4.645  38.591
  912    HB2  ASN 122           2HB      ASN 122   4.851   4.191  37.686
  913    HB3  ASN 122           3HB      ASN 122   4.930   3.255  39.175
  914   HD21  ASN 122          2HD2      ASN 122   2.830   3.940  36.337
  915   HD22  ASN 122          1HD2      ASN 122   2.119   2.328  36.227
  916    H    ASP 123           H        ASP 123   2.174   6.228  40.823
  917    HA   ASP 123           HA       ASP 123   3.043   5.100  43.258
  918    HB2  ASP 123           2HB      ASP 123   2.269   7.408  43.013
  919    HB3  ASP 123           3HB      ASP 123   0.642   6.852  42.627
  920    H    GLY 124           H        GLY 124   0.293   4.202  41.215
  921    HA2  GLY 124           2HA      GLY 124  -0.111   1.754  42.587
  922    HA3  GLY 124           3HA      GLY 124  -1.387   2.900  43.029
  923    H    TYR 125           H        TYR 125  -2.391   0.864  41.848
  924    HA   TYR 125           HA       TYR 125  -2.489   0.766  38.996
  925    HD1  TYR 125           HD2      TYR 125  -3.074  -1.959  38.229
  926    HD2  TYR 125           HD1      TYR 125  -6.553   0.157  39.630
  927    HE1  TYR 125           HE2      TYR 125  -4.400  -2.923  36.366
  928    HE2  TYR 125           HE1      TYR 125  -7.888  -0.784  37.766
  929    HH   TYR 125           HH       TYR 125  -7.871  -2.174  35.901
  930    HB2  TYR 125           2HB      TYR 125  -3.222  -1.060  40.550
  931    HB3  TYR 125           3HB      TYR 125  -4.581  -0.060  41.044
  Start of MODEL   11
    1    HA   MET   1           HA       MET   1   3.882  -5.718  -3.842
    2    H1   MET   1           H1       MET   1   2.537  -3.583  -5.343
    3    H2   MET   1           H2       MET   1   2.000  -5.119  -5.174
    4    H3   MET   1           H3       MET   1   3.386  -4.835  -6.013
    5    HB2  MET   1           2HB      MET   1   4.660  -2.798  -4.247
    6    HB3  MET   1           3HB      MET   1   5.316  -3.818  -2.972
    7    HG2  MET   1           2HG      MET   1   5.587  -4.308  -5.956
    8    HG3  MET   1           3HG      MET   1   6.838  -3.710  -4.880
    9    HE1  MET   1           3HE      MET   1   6.862  -5.515  -2.308
   10    HE2  MET   1           1HE      MET   1   7.954  -6.808  -2.841
   11    HE3  MET   1           2HE      MET   1   8.292  -5.123  -3.291
   12    H    ALA   2           H        ALA   2   3.385  -5.859  -1.669
   13    HA   ALA   2           HA       ALA   2   1.558  -3.842  -0.470
   14    HB1  ALA   2           3HB      ALA   2   0.095  -5.711   0.263
   15    HB2  ALA   2           1HB      ALA   2   0.189  -5.623  -1.507
   16    HB3  ALA   2           2HB      ALA   2   1.129  -6.857  -0.630
   17    H    VAL   3           H        VAL   3   4.350  -4.424  -0.120
   18    HA   VAL   3           HA       VAL   3   4.745  -5.586   2.520
   19    HB   VAL   3           HB       VAL   3   7.048  -4.629   2.189
   20   HG11  VAL   3          1HG1      VAL   3   6.056  -6.433  -0.064
   21   HG12  VAL   3          2HG1      VAL   3   7.737  -6.236   0.471
   22   HG13  VAL   3          3HG1      VAL   3   6.550  -6.943   1.564
   23   HG21  VAL   3          3HG2      VAL   3   6.495  -2.741   0.669
   24   HG22  VAL   3          1HG2      VAL   3   7.768  -3.785   0.035
   25   HG23  VAL   3          2HG2      VAL   3   6.128  -3.896  -0.629
   26    H    ALA   4           H        ALA   4   6.018  -4.015   4.073
   27    HA   ALA   4           HA       ALA   4   5.215  -1.240   4.051
   28    HB1  ALA   4           3HB      ALA   4   4.455  -3.045   6.396
   29    HB2  ALA   4           1HB      ALA   4   4.251  -1.283   6.321
   30    HB3  ALA   4           2HB      ALA   4   3.294  -2.320   5.254
   31    H    ASP   5           H        ASP   5   6.236  -0.409   6.387
   32    HA   ASP   5           HA       ASP   5   8.649  -1.864   7.149
   33    HB2  ASP   5           2HB      ASP   5   9.440  -0.514   5.216
   34    HB3  ASP   5           3HB      ASP   5   8.787   0.946   5.964
   35    H    LEU   6           H        LEU   6   9.438  -0.998   9.207
   36    HA   LEU   6           HA       LEU   6   7.356  -0.278  10.984
   37    HG   LEU   6           HG       LEU   6   9.745  -2.355  10.903
   38    HB2  LEU   6           2HB      LEU   6  10.377   0.016  11.286
   39    HB3  LEU   6           3HB      LEU   6   9.211   0.108  12.603
   40   HD11  LEU   6          1HD1      LEU   6  11.610  -1.803  12.394
   41   HD12  LEU   6          2HD1      LEU   6  10.503  -1.686  13.779
   42   HD13  LEU   6          3HD1      LEU   6  10.758  -3.241  12.957
   43   HD21  LEU   6          3HD2      LEU   6   8.380  -3.541  12.650
   44   HD22  LEU   6          1HD2      LEU   6   7.926  -1.966  13.327
   45   HD23  LEU   6          2HD2      LEU   6   7.433  -2.418  11.679
   46    H    ALA   7           H        ALA   7   9.552   1.801   9.103
   47    HA   ALA   7           HA       ALA   7   9.118   4.187  10.627
   48    HB1  ALA   7           3HB      ALA   7   9.937   5.330   8.609
   49    HB2  ALA   7           1HB      ALA   7  10.939   3.905   8.965
   50    HB3  ALA   7           2HB      ALA   7   9.731   3.843   7.660
   51    H    LEU   8           H        LEU   8   7.100   2.487   8.267
   52    HA   LEU   8           HA       LEU   8   5.439   4.826   7.652
   53    HG   LEU   8           HG       LEU   8   6.937   2.509   5.879
   54    HB2  LEU   8           2HB      LEU   8   4.911   1.869   7.130
   55    HB3  LEU   8           3HB      LEU   8   4.030   3.229   6.447
   56   HD11  LEU   8          1HD1      LEU   8   5.240   1.018   4.849
   57   HD12  LEU   8          2HD1      LEU   8   4.468   2.422   4.090
   58   HD13  LEU   8          3HD1      LEU   8   6.126   1.958   3.643
   59   HD21  LEU   8          3HD2      LEU   8   6.827   4.276   4.127
   60   HD22  LEU   8          1HD2      LEU   8   5.245   4.791   4.760
   61   HD23  LEU   8          2HD2      LEU   8   6.713   4.944   5.756
   62    H    ILE   9           H        ILE   9   5.511   2.244  10.039
   63    HA   ILE   9           HA       ILE   9   2.723   2.408  10.770
   64    HB   ILE   9           HB       ILE   9   5.155   1.218  12.152
   65   HG12  ILE   9          2HG1      ILE   9   2.791  -0.002  10.641
   66   HG13  ILE   9          3HG1      ILE   9   4.432   0.154  10.018
   67   HG21  ILE   9          1HG2      ILE   9   3.573   0.114  13.701
   68   HG22  ILE   9          2HG2      ILE   9   3.505   1.854  13.873
   69   HG23  ILE   9          3HG2      ILE   9   2.222   1.023  12.967
   70   HD11  ILE   9          3HD1      ILE   9   3.546  -1.643  12.299
   71   HD12  ILE   9          1HD1      ILE   9   4.118  -2.098  10.692
   72   HD13  ILE   9          2HD1      ILE   9   5.245  -1.350  11.844
   73    HA   PRO  10           HA       PRO  10   3.180   6.415  12.855
   74    HB2  PRO  10           2HB      PRO  10   0.735   5.359  14.301
   75    HB3  PRO  10           3HB      PRO  10   1.024   6.995  13.632
   76    HG2  PRO  10           2HG      PRO  10  -0.523   5.222  12.287
   77    HG3  PRO  10           3HG      PRO  10   0.674   6.222  11.398
   78    HD2  PRO  10           2HD      PRO  10   0.924   3.341  12.287
   79    HD3  PRO  10           3HD      PRO  10   1.377   4.095  10.729
   80    H    ASP  11           H        ASP  11   4.338   6.900  14.723
   81    HA   ASP  11           HA       ASP  11   5.223   4.653  16.285
   82    HB2  ASP  11           2HB      ASP  11   6.460   6.841  15.454
   83    HB3  ASP  11           3HB      ASP  11   5.887   7.514  16.985
   84    H    VAL  12           H        VAL  12   2.974   7.273  16.800
   85    HA   VAL  12           HA       VAL  12   1.939   6.024  19.256
   86    HB   VAL  12           HB       VAL  12   2.368   9.011  18.848
   87   HG11  VAL  12          1HG1      VAL  12   1.213   7.525  21.250
   88   HG12  VAL  12          2HG1      VAL  12   1.557   9.266  21.163
   89   HG13  VAL  12          3HG1      VAL  12   0.313   8.566  20.131
   90   HG21  VAL  12          3HG2      VAL  12   3.869   8.827  20.817
   91   HG22  VAL  12          1HG2      VAL  12   3.787   7.057  20.689
   92   HG23  VAL  12          2HG2      VAL  12   4.496   8.030  19.379
   93    H    ASP  13           H        ASP  13  -0.302   5.917  19.088
   94    HA   ASP  13           HA       ASP  13  -1.763   7.787  17.435
   95    HB2  ASP  13           2HB      ASP  13  -1.228   6.105  15.712
   96    HB3  ASP  13           3HB      ASP  13  -1.844   4.821  16.755
   97    H    ILE  14           H        ILE  14  -3.550   8.231  18.632
   98    HA   ILE  14           HA       ILE  14  -4.507   6.352  20.641
   99    HB   ILE  14           HB       ILE  14  -4.277   8.163  22.414
  100   HG12  ILE  14          2HG1      ILE  14  -2.278   9.396  20.457
  101   HG13  ILE  14          3HG1      ILE  14  -3.832  10.085  20.925
  102   HG21  ILE  14          1HG2      ILE  14  -1.591   7.111  21.443
  103   HG22  ILE  14          2HG2      ILE  14  -2.071   7.501  23.107
  104   HG23  ILE  14          3HG2      ILE  14  -2.809   6.132  22.278
  105   HD11  ILE  14          3HD1      ILE  14  -2.062  11.211  22.114
  106   HD12  ILE  14          1HD1      ILE  14  -3.006  10.270  23.279
  107   HD13  ILE  14          2HD1      ILE  14  -1.407   9.694  22.735
  108    H    ASP  15           H        ASP  15  -6.497   7.165  21.689
  109    HA   ASP  15           HA       ASP  15  -7.795   9.498  20.427
  110    HB2  ASP  15           2HB      ASP  15  -8.648   7.662  19.047
  111    HB3  ASP  15           3HB      ASP  15  -9.110   6.756  20.499
  112    H    SER  16           H        SER  16  -8.630  10.688  21.993
  113    HA   SER  16           HA       SER  16  -8.860   9.553  24.731
  114    HG   SER  16           HG       SER  16  -5.905  11.718  24.112
  115    HB2  SER  16           2HB      SER  16  -8.062  12.385  24.030
  116    HB3  SER  16           3HB      SER  16  -7.716  11.472  25.503
  117    H    ASP  17           H        ASP  17  -9.932  11.318  26.193
  118    HA   ASP  17           HA       ASP  17 -11.890  13.093  25.086
  119    HB2  ASP  17           2HB      ASP  17 -13.323  11.155  24.921
  120    HB3  ASP  17           3HB      ASP  17 -12.897  10.624  26.552
  121    H    GLY  18           H        GLY  18 -10.704  11.255  27.922
  122    HA2  GLY  18           2HA      GLY  18  -9.884  13.683  29.259
  123    HA3  GLY  18           3HA      GLY  18 -11.277  12.916  30.046
  124    H    VAL  19           H        VAL  19 -10.834  10.247  29.771
  125    HA   VAL  19           HA       VAL  19  -8.116   9.574  30.778
  126    HB   VAL  19           HB       VAL  19 -10.849   8.516  31.659
  127   HG11  VAL  19          1HG1      VAL  19  -8.089   7.659  32.627
  128   HG12  VAL  19          2HG1      VAL  19  -9.631   7.175  33.350
  129   HG13  VAL  19          3HG1      VAL  19  -9.244   6.676  31.705
  130   HG21  VAL  19          3HG2      VAL  19 -10.394  10.706  32.699
  131   HG22  VAL  19          1HG2      VAL  19 -10.383   9.402  33.883
  132   HG23  VAL  19          2HG2      VAL  19  -8.852  10.093  33.326
  133    H    PHE  20           H        PHE  20  -7.275   7.668  29.728
  134    HA   PHE  20           HA       PHE  20  -9.139   5.823  28.508
  135    HD1  PHE  20           HD1      PHE  20  -7.232   9.306  27.325
  136    HD2  PHE  20           HD2      PHE  20  -6.021   5.609  25.468
  137    HE1  PHE  20           HE1      PHE  20  -5.150  10.384  26.522
  138    HE2  PHE  20           HE2      PHE  20  -3.945   6.690  24.667
  139    HZ   PHE  20           HZ       PHE  20  -3.504   9.082  25.194
  140    HB2  PHE  20           2HB      PHE  20  -8.226   5.829  26.283
  141    HB3  PHE  20           3HB      PHE  20  -8.886   7.403  26.650
  142    H    LYS  21           H        LYS  21  -8.121   3.824  27.917
  143    HA   LYS  21           HA       LYS  21  -5.734   3.176  29.551
  144    HB2  LYS  21           2HB      LYS  21  -7.763   1.467  28.021
  145    HB3  LYS  21           3HB      LYS  21  -6.388   0.826  28.922
  146    HG2  LYS  21           2HG      LYS  21  -7.267   1.851  31.012
  147    HG3  LYS  21           3HG      LYS  21  -8.665   2.474  30.124
  148    HD2  LYS  21           2HD      LYS  21  -9.367   0.150  29.592
  149    HD3  LYS  21           3HD      LYS  21  -7.969  -0.468  30.497
  150    HE2  LYS  21           2HE      LYS  21  -8.841   0.854  32.515
  151    HE3  LYS  21           3HE      LYS  21 -10.307   1.164  31.578
  152    HZ1  LYS  21           3HZ      LYS  21 -10.616  -1.290  31.457
  153    HZ2  LYS  21           1HZ      LYS  21  -9.307  -1.490  32.439
  154    HZ3  LYS  21           2HZ      LYS  21 -10.636  -0.724  32.990
  155    H    TYR  22           H        TYR  22  -3.856   2.152  28.557
  156    HA   TYR  22           HA       TYR  22  -3.760   2.115  25.625
  157    HD1  TYR  22           HD2      TYR  22  -1.688   4.059  28.991
  158    HD2  TYR  22           HD1      TYR  22  -0.015   2.965  25.181
  159    HE1  TYR  22           HE2      TYR  22   0.568   4.013  30.005
  160    HE2  TYR  22           HE1      TYR  22   2.253   2.904  26.181
  161    HH   TYR  22           HH       TYR  22   3.529   3.397  28.040
  162    HB2  TYR  22           2HB      TYR  22  -2.239   3.754  25.321
  163    HB3  TYR  22           3HB      TYR  22  -2.934   4.430  26.769
  164    H    VAL  23           H        VAL  23  -1.828   1.036  24.826
  165    HA   VAL  23           HA       VAL  23  -0.472  -0.751  26.743
  166    HB   VAL  23           HB       VAL  23  -2.361  -1.994  25.935
  167   HG11  VAL  23          1HG1      VAL  23  -1.443  -1.367  23.114
  168   HG12  VAL  23          2HG1      VAL  23  -2.697  -2.556  23.548
  169   HG13  VAL  23          3HG1      VAL  23  -2.939  -0.842  23.897
  170   HG21  VAL  23          3HG2      VAL  23   0.200  -2.964  24.623
  171   HG22  VAL  23          1HG2      VAL  23  -0.382  -3.313  26.256
  172   HG23  VAL  23          2HG2      VAL  23  -1.268  -3.936  24.862
  173    H    LEU  24           H        LEU  24   1.611  -1.224  26.187
  174    HA   LEU  24           HA       LEU  24   2.890   0.381  24.022
  175    HG   LEU  24           HG       LEU  24   5.716  -1.019  24.898
  176    HB2  LEU  24           2HB      LEU  24   3.730   0.840  26.298
  177    HB3  LEU  24           3HB      LEU  24   3.927  -0.886  26.604
  178   HD11  LEU  24          1HD1      LEU  24   5.162   1.954  24.548
  179   HD12  LEU  24          2HD1      LEU  24   6.706   1.206  24.094
  180   HD13  LEU  24          3HD1      LEU  24   5.213   0.685  23.311
  181   HD21  LEU  24          3HD2      LEU  24   7.414   0.241  26.155
  182   HD22  LEU  24          1HD2      LEU  24   6.149   1.188  26.962
  183   HD23  LEU  24          2HD2      LEU  24   6.279  -0.570  27.243
  184    H    ILE  25           H        ILE  25   3.399  -0.865  22.244
  185    HA   ILE  25           HA       ILE  25   3.501  -3.834  22.614
  186    HB   ILE  25           HB       ILE  25   2.208  -2.268  20.342
  187   HG12  ILE  25          2HG1      ILE  25   0.858  -3.994  22.472
  188   HG13  ILE  25          3HG1      ILE  25   0.859  -2.229  22.476
  189   HG21  ILE  25          1HG2      ILE  25   3.236  -4.434  19.640
  190   HG22  ILE  25          2HG2      ILE  25   2.290  -5.272  20.889
  191   HG23  ILE  25          3HG2      ILE  25   1.501  -4.481  19.501
  192   HD11  ILE  25          3HD1      ILE  25  -1.253  -3.117  21.610
  193   HD12  ILE  25          1HD1      ILE  25  -0.396  -2.132  20.414
  194   HD13  ILE  25          2HD1      ILE  25  -0.420  -3.905  20.281
  195    H    ARG  26           H        ARG  26   5.199  -4.815  21.651
  196    HA   ARG  26           HA       ARG  26   7.140  -3.147  20.126
  197    HE   ARG  26           HE       ARG  26  10.436  -3.960  21.554
  198    HB2  ARG  26           2HB      ARG  26   8.087  -4.511  21.887
  199    HB3  ARG  26           3HB      ARG  26   7.275  -5.965  21.295
  200    HG2  ARG  26           2HG      ARG  26   8.628  -6.039  19.307
  201    HG3  ARG  26           3HG      ARG  26   9.277  -4.417  19.587
  202    HD2  ARG  26           2HD      ARG  26   9.749  -6.793  21.438
  203    HD3  ARG  26           3HD      ARG  26  10.874  -6.266  20.164
  204   HH11  ARG  26          1HH2      ARG  26  11.632  -7.159  22.575
  205   HH12  ARG  26          2HH2      ARG  26  12.531  -6.539  23.909
  206   HH21  ARG  26          1HH1      ARG  26  11.563  -3.142  23.298
  207   HH22  ARG  26          2HH1      ARG  26  12.509  -4.171  24.329
  208    H    VAL  27           H        VAL  27   7.188  -3.379  17.916
  209    HA   VAL  27           HA       VAL  27   5.537  -5.528  16.698
  210    HB   VAL  27           HB       VAL  27   5.893  -3.957  14.625
  211   HG11  VAL  27          1HG1      VAL  27   3.720  -2.913  15.066
  212   HG12  VAL  27          2HG1      VAL  27   3.758  -4.621  15.544
  213   HG13  VAL  27          3HG1      VAL  27   3.845  -3.359  16.791
  214   HG21  VAL  27          3HG2      VAL  27   5.927  -1.824  16.796
  215   HG22  VAL  27          1HG2      VAL  27   7.303  -2.245  15.755
  216   HG23  VAL  27          2HG2      VAL  27   5.822  -1.576  15.043
  217    H    HIS  28           H        HIS  28   6.533  -6.874  15.320
  218    HA   HIS  28           HA       HIS  28   9.483  -6.614  14.890
  219    HD1  HIS  28           HD1      HIS  28  10.760  -7.908  17.060
  220    HD2  HIS  28           HD2      HIS  28   6.923  -9.615  17.359
  221    HE1  HIS  28           HE1      HIS  28  10.443  -8.579  19.511
  222    HB2  HIS  28           2HB      HIS  28   7.733  -9.117  14.938
  223    HB3  HIS  28           3HB      HIS  28   9.479  -9.054  14.728
  224    H    SER  29           H        SER  29   9.940  -6.277  12.735
  225    HA   SER  29           HA       SER  29   7.770  -6.131  10.823
  226    HG   SER  29           HG       SER  29  11.266  -5.712  11.491
  227    HB2  SER  29           2HB      SER  29   9.566  -5.575   9.196
  228    HB3  SER  29           3HB      SER  29   9.521  -4.535  10.619
  229    H    ALA  30           H        ALA  30   7.305  -7.433   9.107
  230    HA   ALA  30           HA       ALA  30   9.004  -9.567   8.217
  231    HB1  ALA  30           3HB      ALA  30   6.331 -10.282   9.505
  232    HB2  ALA  30           1HB      ALA  30   7.321 -11.359   8.482
  233    HB3  ALA  30           2HB      ALA  30   7.949 -10.801  10.047
  234    HA   PRO  31           HA       PRO  31   6.215  -6.780   5.736
  235    HB2  PRO  31           2HB      PRO  31   8.401  -6.834   3.715
  236    HB3  PRO  31           3HB      PRO  31   7.517  -5.454   4.397
  237    HG2  PRO  31           2HG      PRO  31  10.085  -6.030   5.180
  238    HG3  PRO  31           3HG      PRO  31   8.867  -5.358   6.306
  239    HD2  PRO  31           2HD      PRO  31   9.779  -8.232   6.055
  240    HD3  PRO  31           3HD      PRO  31   9.419  -7.275   7.506
  241    H    ARG  32           H        ARG  32   4.657  -7.551   4.493
  242    HA   ARG  32           HA       ARG  32   3.339  -9.190   3.813
  243    HE   ARG  32           HE       ARG  32   0.942 -10.390   2.767
  244    HB2  ARG  32           2HB      ARG  32   4.224  -7.920   1.762
  245    HB3  ARG  32           3HB      ARG  32   5.193  -9.348   1.425
  246    HG2  ARG  32           2HG      ARG  32   3.273  -9.445   0.054
  247    HG3  ARG  32           3HG      ARG  32   3.015 -10.681   1.269
  248    HD2  ARG  32           2HD      ARG  32   1.803  -7.886   1.369
  249    HD3  ARG  32           3HD      ARG  32   1.015  -9.265   0.626
  250   HH11  ARG  32          1HH2      ARG  32   1.385  -6.813   2.903
  251   HH12  ARG  32          2HH2      ARG  32   0.554  -6.669   4.402
  252   HH21  ARG  32          1HH1      ARG  32   0.090 -10.166   4.878
  253   HH22  ARG  32          2HH1      ARG  32   0.040  -8.640   5.663
  254    H    SER  33           H        SER  33   5.049 -10.272   5.675
  255    HA   SER  33           HA       SER  33   5.780 -12.161   6.555
  256    HG   SER  33           HG       SER  33   2.305 -12.988   6.497
  257    HB2  SER  33           2HB      SER  33   3.731 -13.486   4.750
  258    HB3  SER  33           3HB      SER  33   4.311 -14.056   6.325
  259    H    GLY  34           H        GLY  34   7.377 -11.337   4.179
  260    HA2  GLY  34           2HA      GLY  34   8.784 -13.893   3.810
  261    HA3  GLY  34           3HA      GLY  34   7.965 -13.283   2.372
  262    H    ALA  35           H        ALA  35   8.768 -10.347   3.397
  263    HA   ALA  35           HA       ALA  35  11.138 -10.230   1.811
  264    HB1  ALA  35           3HB      ALA  35  11.253  -7.890   2.528
  265    HB2  ALA  35           1HB      ALA  35   9.569  -8.320   2.158
  266    HB3  ALA  35           2HB      ALA  35  10.131  -8.228   3.851
  267    HA   PRO  36           HA       PRO  36  14.155 -11.266   4.931
  268    HB2  PRO  36           2HB      PRO  36  16.480 -10.430   3.805
  269    HB3  PRO  36           3HB      PRO  36  15.462 -11.687   3.053
  270    HG2  PRO  36           2HG      PRO  36  15.486  -8.717   2.405
  271    HG3  PRO  36           3HG      PRO  36  15.646 -10.096   1.268
  272    HD2  PRO  36           2HD      PRO  36  13.248  -8.878   1.752
  273    HD3  PRO  36           3HD      PRO  36  13.367 -10.638   1.449
  274    H    ALA  37           H        ALA  37  12.775  -9.474   6.183
  275    HA   ALA  37           HA       ALA  37  14.766  -7.693   7.446
  276    HB1  ALA  37           3HB      ALA  37  13.565  -6.212   5.873
  277    HB2  ALA  37           1HB      ALA  37  12.007  -6.767   6.531
  278    HB3  ALA  37           2HB      ALA  37  13.124  -5.839   7.552
  279    H    ALA  38           H        ALA  38  14.509  -7.664   9.638
  280    HA   ALA  38           HA       ALA  38  12.102  -8.710  10.939
  281    HB1  ALA  38           3HB      ALA  38  13.342 -10.497  12.102
  282    HB2  ALA  38           1HB      ALA  38  13.417 -10.745  10.352
  283    HB3  ALA  38           2HB      ALA  38  14.825 -10.078  11.215
  284    H    GLU  39           H        GLU  39  13.445  -6.133  10.841
  285    HA   GLU  39           HA       GLU  39  14.780  -5.664  13.415
  286    HB2  GLU  39           2HB      GLU  39  13.570  -3.790  11.328
  287    HB3  GLU  39           3HB      GLU  39  14.394  -3.263  12.803
  288    HG2  GLU  39           2HG      GLU  39  16.454  -4.477  12.061
  289    HG3  GLU  39           3HG      GLU  39  15.651  -4.877  10.543
  290    H    SER  40           H        SER  40  13.645  -4.080  14.997
  291    HA   SER  40           HA       SER  40  10.716  -4.431  15.079
  292    HG   SER  40           HG       SER  40  12.786  -6.663  15.903
  293    HB2  SER  40           2HB      SER  40  12.495  -5.019  17.469
  294    HB3  SER  40           3HB      SER  40  10.754  -5.268  17.344
  295    H    LYS  41           H        LYS  41   9.712  -2.970  16.691
  296    HA   LYS  41           HA       LYS  41  11.350  -1.012  18.019
  297    HB2  LYS  41           2HB      LYS  41  10.524   1.000  17.115
  298    HB3  LYS  41           3HB      LYS  41  11.105   0.072  15.744
  299    HG2  LYS  41           2HG      LYS  41   8.822  -0.439  15.042
  300    HG3  LYS  41           3HG      LYS  41   8.153   0.234  16.538
  301    HD2  LYS  41           2HD      LYS  41   9.072   2.463  15.955
  302    HD3  LYS  41           3HD      LYS  41   9.624   1.818  14.396
  303    HE2  LYS  41           2HE      LYS  41   7.313   1.341  13.731
  304    HE3  LYS  41           3HE      LYS  41   6.730   1.753  15.353
  305    HZ1  LYS  41           3HZ      LYS  41   6.394   3.571  13.779
  306    HZ2  LYS  41           1HZ      LYS  41   7.453   4.024  14.996
  307    HZ3  LYS  41           2HZ      LYS  41   7.966   3.646  13.470
  308    H    GLU  42           H        GLU  42   9.827   0.533  19.310
  309    HA   GLU  42           HA       GLU  42   7.478  -1.014  20.286
  310    HB2  GLU  42           2HB      GLU  42   9.361   1.017  21.501
  311    HB3  GLU  42           3HB      GLU  42   7.679   1.046  22.000
  312    HG2  GLU  42           2HG      GLU  42   8.768  -0.297  23.577
  313    HG3  GLU  42           3HG      GLU  42   7.814  -1.386  22.578
  314    H    ILE  43           H        ILE  43   5.448  -0.026  20.358
  315    HA   ILE  43           HA       ILE  43   5.129   2.710  19.277
  316    HB   ILE  43           HB       ILE  43   3.100   1.933  18.061
  317   HG12  ILE  43          2HG1      ILE  43   4.190  -0.896  18.353
  318   HG13  ILE  43          3HG1      ILE  43   2.824  -0.264  19.273
  319   HG21  ILE  43          1HG2      ILE  43   5.651   0.650  17.028
  320   HG22  ILE  43          2HG2      ILE  43   4.277   1.241  16.069
  321   HG23  ILE  43          3HG2      ILE  43   5.291   2.386  16.959
  322   HD11  ILE  43          3HD1      ILE  43   2.924  -0.611  16.257
  323   HD12  ILE  43          1HD1      ILE  43   2.005  -1.570  17.429
  324   HD13  ILE  43          2HD1      ILE  43   1.581   0.130  17.165
  325    H    VAL  44           H        VAL  44   3.305   3.799  20.069
  326    HA   VAL  44           HA       VAL  44   2.148   2.646  22.583
  327    HB   VAL  44           HB       VAL  44   2.270   5.540  21.649
  328   HG11  VAL  44          1HG1      VAL  44   0.531   5.006  23.396
  329   HG12  VAL  44          2HG1      VAL  44   1.843   4.436  24.450
  330   HG13  VAL  44          3HG1      VAL  44   1.772   6.126  23.950
  331   HG21  VAL  44          3HG2      VAL  44   4.093   5.870  23.314
  332   HG22  VAL  44          1HG2      VAL  44   4.159   4.108  23.566
  333   HG23  VAL  44          2HG2      VAL  44   4.592   4.812  21.993
  334    H    ARG  45           H        ARG  45  -0.013   2.099  22.506
  335    HA   ARG  45           HA       ARG  45  -1.783   3.276  20.400
  336    HE   ARG  45           HE       ARG  45  -0.515   3.330  18.727
  337    HB2  ARG  45           2HB      ARG  45  -1.563   0.359  21.292
  338    HB3  ARG  45           3HB      ARG  45  -2.789   0.987  20.206
  339    HG2  ARG  45           2HG      ARG  45   0.203   0.912  19.570
  340    HG3  ARG  45           3HG      ARG  45  -0.948  -0.316  19.131
  341    HD2  ARG  45           2HD      ARG  45  -0.948   0.819  17.179
  342    HD3  ARG  45           3HD      ARG  45  -2.274   1.671  17.977
  343   HH11  ARG  45          1HH2      ARG  45  -0.169   1.798  15.506
  344   HH12  ARG  45          2HH2      ARG  45   1.315   2.666  15.185
  345   HH21  ARG  45          1HH1      ARG  45   1.430   4.245  18.310
  346   HH22  ARG  45          2HH1      ARG  45   2.189   4.097  16.731
  347    H    GLY  46           H        GLY  46  -3.785   3.933  21.342
  348    HA2  GLY  46           2HA      GLY  46  -4.821   2.613  23.688
  349    HA3  GLY  46           3HA      GLY  46  -4.034   4.137  24.116
  350    H    TYR  47           H        TYR  47  -6.965   2.799  23.329
  351    HA   TYR  47           HA       TYR  47  -8.015   5.396  22.310
  352    HD1  TYR  47           HD1      TYR  47  -7.589   5.537  19.231
  353    HD2  TYR  47           HD2      TYR  47  -6.783   1.584  20.739
  354    HE1  TYR  47           HE1      TYR  47  -5.787   5.291  17.573
  355    HE2  TYR  47           HE2      TYR  47  -4.957   1.326  19.071
  356    HH   TYR  47           HH       TYR  47  -4.228   3.866  16.637
  357    HB2  TYR  47           2HB      TYR  47  -8.856   2.691  21.262
  358    HB3  TYR  47           3HB      TYR  47  -9.261   4.281  20.630
  359    H    LYS  48           H        LYS  48  -9.787   6.011  23.403
  360    HA   LYS  48           HA       LYS  48 -10.626   4.666  25.690
  361    HB2  LYS  48           2HB      LYS  48 -12.391   6.315  25.877
  362    HB3  LYS  48           3HB      LYS  48 -10.888   7.073  25.354
  363    HG2  LYS  48           2HG      LYS  48 -11.695   7.192  23.043
  364    HG3  LYS  48           3HG      LYS  48 -13.184   6.327  23.476
  365    HD2  LYS  48           2HD      LYS  48 -13.789   8.141  25.042
  366    HD3  LYS  48           3HD      LYS  48 -12.328   9.027  24.594
  367    HE2  LYS  48           2HE      LYS  48 -14.522   8.228  22.624
  368    HE3  LYS  48           3HE      LYS  48 -14.496   9.773  23.485
  369    HZ1  LYS  48           3HZ      LYS  48 -12.346  10.246  22.423
  370    HZ2  LYS  48           1HZ      LYS  48 -12.416   8.849  21.566
  371    HZ3  LYS  48           2HZ      LYS  48 -13.525  10.024  21.314
  372    H    TRP  49           H        TRP  49 -11.727   3.836  22.472
  373    HA   TRP  49           HA       TRP  49 -14.294   2.831  23.319
  374    HD1  TRP  49           HD1      TRP  49 -12.520   4.308  19.509
  375    HE1  TRP  49           HE1      TRP  49 -10.432   3.584  18.234
  376    HE3  TRP  49           HE3      TRP  49 -11.967  -0.448  21.406
  377    HZ2  TRP  49           HZ2      TRP  49  -8.595   1.385  18.241
  378    HZ3  TRP  49           HZ3      TRP  49  -9.977  -1.773  20.826
  379    HH2  TRP  49           HH2      TRP  49  -8.238  -0.845  19.305
  380    HB2  TRP  49           2HB      TRP  49 -14.195   1.529  21.161
  381    HB3  TRP  49           3HB      TRP  49 -14.183   3.273  21.062
  382    H    ALA  50           H        ALA  50 -11.005   1.495  23.561
  383    HA   ALA  50           HA       ALA  50 -12.016  -1.193  24.133
  384    HB1  ALA  50           3HB      ALA  50  -9.670  -1.659  24.728
  385    HB2  ALA  50           1HB      ALA  50  -9.772  -0.899  23.136
  386    HB3  ALA  50           2HB      ALA  50  -9.265   0.064  24.544
  387    H    GLU  51           H        GLU  51 -12.040  -2.103  26.195
  388    HA   GLU  51           HA       GLU  51 -11.782  -0.268  28.544
  389    HB2  GLU  51           2HB      GLU  51 -13.955  -2.306  27.942
  390    HB3  GLU  51           3HB      GLU  51 -13.750  -1.477  29.491
  391    HG2  GLU  51           2HG      GLU  51 -14.031   0.718  28.336
  392    HG3  GLU  51           3HG      GLU  51 -14.354  -0.136  26.826
  393    H    TYR  52           H        TYR  52 -10.642  -3.166  27.162
  394    HA   TYR  52           HA       TYR  52  -9.956  -4.299  29.841
  395    HD1  TYR  52           HD2      TYR  52 -11.981  -5.478  30.951
  396    HD2  TYR  52           HD1      TYR  52 -13.050  -5.398  26.768
  397    HE1  TYR  52           HE2      TYR  52 -14.363  -5.156  31.563
  398    HE2  TYR  52           HE1      TYR  52 -15.419  -5.075  27.373
  399    HH   TYR  52           HH       TYR  52 -16.957  -4.835  29.114
  400    HB2  TYR  52           2HB      TYR  52 -10.808  -5.852  27.380
  401    HB3  TYR  52           3HB      TYR  52 -10.497  -6.497  28.985
  402    H    HIS  53           H        HIS  53  -8.414  -2.797  27.533
  403    HA   HIS  53           HA       HIS  53  -6.398  -2.707  26.589
  404    HD2  HIS  53           HD2      HIS  53  -6.690  -2.970  30.488
  405    HE1  HIS  53           HE1      HIS  53  -3.703  -0.022  29.765
  406    HE2  HIS  53           HE2      HIS  53  -5.586  -0.740  31.331
  407    HB2  HIS  53           2HB      HIS  53  -5.670  -4.803  28.655
  408    HB3  HIS  53           3HB      HIS  53  -4.538  -4.141  27.491
  409    H    ALA  54           H        ALA  54  -7.290  -6.179  26.900
  410    HA   ALA  54           HA       ALA  54  -5.752  -7.137  24.772
  411    HB1  ALA  54           3HB      ALA  54  -6.894  -8.566  26.427
  412    HB2  ALA  54           1HB      ALA  54  -8.476  -8.113  25.741
  413    HB3  ALA  54           2HB      ALA  54  -7.315  -9.042  24.771
  414    H    ASP  55           H        ASP  55  -8.874  -5.432  24.663
  415    HA   ASP  55           HA       ASP  55  -9.516  -6.104  21.969
  416    HB2  ASP  55           2HB      ASP  55 -11.034  -5.054  23.766
  417    HB3  ASP  55           3HB      ASP  55 -10.271  -3.519  23.370
  418    H    ILE  56           H        ILE  56  -7.368  -3.629  23.356
  419    HA   ILE  56           HA       ILE  56  -7.028  -2.140  20.881
  420    HB   ILE  56           HB       ILE  56  -5.065  -2.313  23.213
  421   HG12  ILE  56          2HG1      ILE  56  -7.246  -0.217  22.933
  422   HG13  ILE  56          3HG1      ILE  56  -7.350  -1.619  24.008
  423   HG21  ILE  56          1HG2      ILE  56  -4.109  -1.349  21.197
  424   HG22  ILE  56          2HG2      ILE  56  -5.517  -0.301  20.967
  425   HG23  ILE  56          3HG2      ILE  56  -4.402  -0.022  22.313
  426   HD11  ILE  56          3HD1      ILE  56  -5.262   0.563  24.245
  427   HD12  ILE  56          1HD1      ILE  56  -6.654   0.287  25.298
  428   HD13  ILE  56          2HD1      ILE  56  -5.344  -0.908  25.232
  429    H    TYR  57           H        TYR  57  -5.114  -4.575  22.717
  430    HA   TYR  57           HA       TYR  57  -3.048  -4.915  20.871
  431    HD1  TYR  57           HD1      TYR  57  -0.880  -5.789  21.587
  432    HD2  TYR  57           HD2      TYR  57  -3.492  -9.120  22.416
  433    HE1  TYR  57           HE1      TYR  57   0.949  -7.361  21.021
  434    HE2  TYR  57           HE2      TYR  57  -1.656 -10.691  21.884
  435    HH   TYR  57           HH       TYR  57   0.593 -10.904  21.238
  436    HB2  TYR  57           2HB      TYR  57  -3.052  -5.725  23.189
  437    HB3  TYR  57           3HB      TYR  57  -4.273  -6.930  22.789
  438    H    ASP  58           H        ASP  58  -6.232  -6.585  20.969
  439    HA   ASP  58           HA       ASP  58  -5.818  -8.385  18.829
  440    HB2  ASP  58           2HB      ASP  58  -7.711  -8.632  20.279
  441    HB3  ASP  58           3HB      ASP  58  -8.286  -7.003  19.926
  442    H    LYS  59           H        LYS  59  -7.209  -5.039  18.760
  443    HA   LYS  59           HA       LYS  59  -7.652  -5.074  15.924
  444    HB2  LYS  59           2HB      LYS  59  -7.933  -3.146  18.123
  445    HB3  LYS  59           3HB      LYS  59  -7.155  -2.370  16.766
  446    HG2  LYS  59           2HG      LYS  59  -9.570  -2.077  16.660
  447    HG3  LYS  59           3HG      LYS  59  -8.954  -2.950  15.259
  448    HD2  LYS  59           2HD      LYS  59 -11.084  -3.898  16.016
  449    HD3  LYS  59           3HD      LYS  59  -9.790  -5.086  16.178
  450    HE2  LYS  59           2HE      LYS  59  -9.588  -4.333  18.622
  451    HE3  LYS  59           3HE      LYS  59 -11.089  -3.434  18.389
  452    HZ1  LYS  59           3HZ      LYS  59 -10.679  -6.361  18.117
  453    HZ2  LYS  59           1HZ      LYS  59 -11.471  -5.579  19.333
  454    HZ3  LYS  59           2HZ      LYS  59 -12.120  -5.590  17.817
  455    H    VAL  60           H        VAL  60  -4.912  -3.907  17.889
  456    HA   VAL  60           HA       VAL  60  -3.451  -2.872  15.660
  457    HB   VAL  60           HB       VAL  60  -2.563  -3.793  18.424
  458   HG11  VAL  60          1HG1      VAL  60  -0.573  -2.366  18.102
  459   HG12  VAL  60          2HG1      VAL  60  -0.613  -3.628  16.879
  460   HG13  VAL  60          3HG1      VAL  60  -1.097  -1.974  16.457
  461   HG21  VAL  60          3HG2      VAL  60  -3.051  -0.946  17.420
  462   HG22  VAL  60          1HG2      VAL  60  -4.291  -1.862  18.264
  463   HG23  VAL  60          2HG2      VAL  60  -2.796  -1.506  19.097
  464    H    SER  61           H        SER  61  -3.354  -6.142  17.300
  465    HA   SER  61           HA       SER  61  -1.291  -7.174  15.658
  466    HG   SER  61           HG       SER  61  -2.548  -7.612  18.491
  467    HB2  SER  61           2HB      SER  61  -3.641  -8.661  16.904
  468    HB3  SER  61           3HB      SER  61  -2.127  -9.380  16.318
  469    H    GLY  62           H        GLY  62  -4.823  -6.911  15.039
  470    HA2  GLY  62           2HA      GLY  62  -4.851  -8.417  12.599
  471    HA3  GLY  62           3HA      GLY  62  -5.994  -7.147  13.084
  472    H    ASP  63           H        ASP  63  -4.487  -4.859  13.234
  473    HA   ASP  63           HA       ASP  63  -4.245  -4.123  10.502
  474    HB2  ASP  63           2HB      ASP  63  -4.681  -2.521  12.375
  475    HB3  ASP  63           3HB      ASP  63  -2.994  -2.688  12.871
  476    H    MET  64           H        MET  64  -1.704  -4.889  12.934
  477    HA   MET  64           HA       MET  64   0.461  -4.254  11.241
  478    HB2  MET  64           2HB      MET  64   0.160  -5.872  13.772
  479    HB3  MET  64           3HB      MET  64   1.656  -6.003  12.858
  480    HG2  MET  64           2HG      MET  64   1.900  -4.262  14.490
  481    HG3  MET  64           3HG      MET  64   1.955  -3.566  12.873
  482    HE1  MET  64           3HE      MET  64   0.584  -1.489  12.248
  483    HE2  MET  64           1HE      MET  64  -0.172  -0.572  13.575
  484    HE3  MET  64           2HE      MET  64   1.531  -1.080  13.709
  485    H    GLN  65           H        GLN  65  -1.389  -7.331  11.547
  486    HA   GLN  65           HA       GLN  65   0.441  -8.804   9.869
  487    HB2  GLN  65           2HB      GLN  65  -2.479  -9.151  10.631
  488    HB3  GLN  65           3HB      GLN  65  -1.663 -10.253   9.509
  489    HG2  GLN  65           2HG      GLN  65   0.004 -10.856  11.155
  490    HG3  GLN  65           3HG      GLN  65  -0.559  -9.624  12.278
  491   HE21  GLN  65          2HE2      GLN  65  -2.675  -9.862  13.245
  492   HE22  GLN  65          1HE2      GLN  65  -3.390 -11.468  13.435
  493    H    LYS  66           H        LYS  66  -2.375  -6.659   9.139
  494    HA   LYS  66           HA       LYS  66  -2.243  -7.161   6.305
  495    HB2  LYS  66           2HB      LYS  66  -3.274  -4.705   7.786
  496    HB3  LYS  66           3HB      LYS  66  -3.436  -5.001   6.055
  497    HG2  LYS  66           2HG      LYS  66  -4.672  -7.110   6.520
  498    HG3  LYS  66           3HG      LYS  66  -4.597  -6.778   8.252
  499    HD2  LYS  66           2HD      LYS  66  -5.946  -4.999   6.174
  500    HD3  LYS  66           3HD      LYS  66  -6.770  -6.173   7.215
  501    HE2  LYS  66           2HE      LYS  66  -5.986  -4.944   9.232
  502    HE3  LYS  66           3HE      LYS  66  -5.194  -3.746   8.199
  503    HZ1  LYS  66           3HZ      LYS  66  -8.107  -4.274   8.271
  504    HZ2  LYS  66           1HZ      LYS  66  -7.344  -2.974   8.921
  505    HZ3  LYS  66           2HZ      LYS  66  -7.363  -3.173   7.298
  506    H    GLN  67           H        GLN  67  -0.421  -4.936   8.455
  507    HA   GLN  67           HA       GLN  67   0.839  -3.528   6.281
  508    HB2  GLN  67           2HB      GLN  67   1.983  -3.977   9.080
  509    HB3  GLN  67           3HB      GLN  67   2.497  -2.777   7.916
  510    HG2  GLN  67           2HG      GLN  67  -0.119  -2.837   9.433
  511    HG3  GLN  67           3HG      GLN  67   1.217  -1.745   9.678
  512   HE21  GLN  67          2HE2      GLN  67  -1.484  -0.941   9.269
  513   HE22  GLN  67          1HE2      GLN  67  -1.541  -0.051   7.755
  514    H    GLY  68           H        GLY  68   1.904  -6.199   8.352
  515    HA2  GLY  68           2HA      GLY  68   3.175  -8.099   7.269
  516    HA3  GLY  68           3HA      GLY  68   4.161  -6.835   6.501
  517    H    CYS  69           H        CYS  69   2.792  -7.279   9.835
  518    HA   CYS  69           HA       CYS  69   5.474  -7.443  11.019
  519    HG   CYS  69           HG       CYS  69   5.357  -5.081   9.657
  520    HB2  CYS  69           2HB      CYS  69   3.369  -5.305  11.615
  521    HB3  CYS  69           3HB      CYS  69   4.614  -5.757  12.788
  522    H    ASP  70           H        ASP  70   5.220  -8.028  13.341
  523    HA   ASP  70           HA       ASP  70   2.642  -9.301  14.104
  524    HB2  ASP  70           2HB      ASP  70   4.194 -11.090  13.398
  525    HB3  ASP  70           3HB      ASP  70   5.429 -10.455  14.492
  526    H    CYS  71           H        CYS  71   2.646  -9.512  16.604
  527    HA   CYS  71           HA       CYS  71   3.861  -7.020  17.739
  528    HG   CYS  71           HG       CYS  71   1.480  -7.068  15.628
  529    HB2  CYS  71           2HB      CYS  71   1.020  -8.095  17.983
  530    HB3  CYS  71           3HB      CYS  71   1.661  -6.730  18.899
  531    H    GLU  72           H        GLU  72   4.122  -6.976  20.015
  532    HA   GLU  72           HA       GLU  72   3.360  -9.306  21.656
  533    HB2  GLU  72           2HB      GLU  72   5.692  -9.749  20.973
  534    HB3  GLU  72           3HB      GLU  72   6.155  -8.099  21.380
  535    HG2  GLU  72           2HG      GLU  72   6.918  -9.467  23.149
  536    HG3  GLU  72           3HG      GLU  72   5.554  -8.562  23.777
  537    H    CYS  73           H        CYS  73   2.144  -8.315  23.277
  538    HA   CYS  73           HA       CYS  73   2.313  -5.450  23.811
  539    HG   CYS  73           HG       CYS  73  -0.648  -8.284  25.680
  540    HB2  CYS  73           2HB      CYS  73   0.801  -6.184  25.790
  541    HB3  CYS  73           3HB      CYS  73   0.159  -6.271  24.144
  542    H    LEU  74           H        LEU  74   3.965  -4.583  24.950
  543    HA   LEU  74           HA       LEU  74   5.689  -6.295  26.616
  544    HG   LEU  74           HG       LEU  74   6.374  -4.305  24.059
  545    HB2  LEU  74           2HB      LEU  74   5.726  -3.279  26.160
  546    HB3  LEU  74           3HB      LEU  74   6.929  -4.208  27.050
  547   HD11  LEU  74          1HD1      LEU  74   8.699  -3.522  23.912
  548   HD12  LEU  74          2HD1      LEU  74   7.745  -2.421  24.908
  549   HD13  LEU  74          3HD1      LEU  74   8.859  -3.573  25.677
  550   HD21  LEU  74          3HD2      LEU  74   8.290  -5.923  23.926
  551   HD22  LEU  74          1HD2      LEU  74   8.233  -6.092  25.695
  552   HD23  LEU  74          2HD2      LEU  74   6.859  -6.607  24.687
  553    H    GLY  75           H        GLY  75   3.022  -4.018  27.013
  554    HA2  GLY  75           2HA      GLY  75   2.135  -4.776  29.509
  555    HA3  GLY  75           3HA      GLY  75   3.380  -3.556  29.832
  556    H    GLY  76           H        GLY  76   1.118  -2.561  30.646
  557    HA2  GLY  76           2HA      GLY  76   0.468  -0.495  28.691
  558    HA3  GLY  76           3HA      GLY  76  -0.892  -1.544  29.070
  559    H    GLY  77           H        GLY  77  -1.473   0.832  29.724
  560    HA2  GLY  77           2HA      GLY  77  -1.496   1.147  32.592
  561    HA3  GLY  77           3HA      GLY  77  -0.345   2.238  31.802
  562    H    ARG  78           H        ARG  78  -1.720   4.025  32.473
  563    HA   ARG  78           HA       ARG  78  -4.098   4.430  30.709
  564    HE   ARG  78           HE       ARG  78  -5.209   1.378  34.038
  565    HB2  ARG  78           2HB      ARG  78  -3.889   4.542  33.730
  566    HB3  ARG  78           3HB      ARG  78  -4.936   5.705  32.914
  567    HG2  ARG  78           2HG      ARG  78  -6.376   4.106  32.062
  568    HG3  ARG  78           3HG      ARG  78  -5.212   2.785  32.172
  569    HD2  ARG  78           2HD      ARG  78  -6.231   4.133  34.685
  570    HD3  ARG  78           3HD      ARG  78  -7.198   2.909  33.863
  571   HH11  ARG  78          1HH1      ARG  78  -5.656   3.894  36.508
  572   HH12  ARG  78          2HH1      ARG  78  -4.724   3.037  37.705
  573   HH21  ARG  78          1HH2      ARG  78  -4.237   0.147  35.708
  574   HH22  ARG  78          2HH2      ARG  78  -4.292   0.765  37.343
  575    H    ILE  79           H        ILE  79  -4.565   6.604  30.291
  576    HA   ILE  79           HA       ILE  79  -2.435   8.581  30.859
  577    HB   ILE  79           HB       ILE  79  -3.732   8.097  28.142
  578   HG12  ILE  79          2HG1      ILE  79  -0.961   7.323  29.088
  579   HG13  ILE  79          3HG1      ILE  79  -2.236   6.273  28.490
  580   HG21  ILE  79          1HG2      ILE  79  -1.515  10.027  28.985
  581   HG22  ILE  79          2HG2      ILE  79  -2.139   9.828  27.332
  582   HG23  ILE  79          3HG2      ILE  79  -3.183  10.469  28.577
  583   HD11  ILE  79          3HD1      ILE  79  -0.518   6.479  26.817
  584   HD12  ILE  79          1HD1      ILE  79  -1.998   7.245  26.221
  585   HD13  ILE  79          2HD1      ILE  79  -0.647   8.239  26.814
  586    H    SER  80           H        SER  80  -3.418  10.635  31.280
  587    HA   SER  80           HA       SER  80  -6.160  11.048  30.374
  588    HG   SER  80           HG       SER  80  -6.270   9.108  31.925
  589    HB2  SER  80           2HB      SER  80  -5.637  11.396  33.342
  590    HB3  SER  80           3HB      SER  80  -7.184  11.420  32.488
  591    H    HIS  81           H        HIS  81  -6.802  13.237  30.499
  592    HA   HIS  81           HA       HIS  81  -4.599  15.222  30.615
  593    HD1  HIS  81           HD1      HIS  81  -5.002  17.019  27.662
  594    HD2  HIS  81           HD2      HIS  81  -7.546  13.662  28.114
  595    HE1  HIS  81           HE1      HIS  81  -5.214  15.944  25.387
  596    HB2  HIS  81           2HB      HIS  81  -7.588  15.563  30.103
  597    HB3  HIS  81           3HB      HIS  81  -6.372  16.830  30.017
  598    H    GLN  82           H        GLN  82  -4.098  16.061  32.590
  599    HA   GLN  82           HA       GLN  82  -4.221  16.642  34.744
  600    HB2  GLN  82           2HB      GLN  82  -6.985  17.660  33.946
  601    HB3  GLN  82           3HB      GLN  82  -6.005  18.205  35.305
  602    HG2  GLN  82           2HG      GLN  82  -4.207  18.759  33.489
  603    HG3  GLN  82           3HG      GLN  82  -5.531  18.630  32.333
  604   HE21  GLN  82          2HE2      GLN  82  -4.726  20.146  35.488
  605   HE22  GLN  82          1HE2      GLN  82  -5.599  21.658  35.189
  606    H    SER  83           H        SER  83  -4.409  14.101  34.909
  607    HA   SER  83           HA       SER  83  -6.627  12.976  36.313
  608    HG   SER  83           HG       SER  83  -2.747  11.759  36.065
  609    HB2  SER  83           2HB      SER  83  -4.727  11.445  37.119
  610    HB3  SER  83           3HB      SER  83  -4.954  11.576  35.363
  611    H    GLN  84           H        GLN  84  -3.538  14.339  37.414
  612    HA   GLN  84           HA       GLN  84  -4.723  15.998  39.464
  613    HB2  GLN  84           2HB      GLN  84  -4.463  13.705  40.579
  614    HB3  GLN  84           3HB      GLN  84  -2.731  13.827  40.303
  615    HG2  GLN  84           2HG      GLN  84  -3.247  14.448  42.586
  616    HG3  GLN  84           3HG      GLN  84  -2.687  15.887  41.746
  617   HE21  GLN  84          2HE2      GLN  84  -5.606  14.215  43.002
  618   HE22  GLN  84          1HE2      GLN  84  -6.595  15.661  43.075
  619    H    ASP  85           H        ASP  85  -3.741  16.923  37.245
  620    HA   ASP  85           HA       ASP  85  -0.952  17.763  37.603
  621    HB2  ASP  85           2HB      ASP  85  -1.063  15.426  36.471
  622    HB3  ASP  85           3HB      ASP  85  -1.787  16.249  35.100
  623    H    LYS  86           H        LYS  86  -0.430  19.264  35.660
  624    HA   LYS  86           HA       LYS  86  -2.700  21.068  35.094
  625    HB2  LYS  86           2HB      LYS  86  -0.525  21.960  35.915
  626    HB3  LYS  86           3HB      LYS  86   0.291  21.256  34.522
  627    HG2  LYS  86           2HG      LYS  86  -0.013  23.659  34.274
  628    HG3  LYS  86           3HG      LYS  86  -0.873  22.792  33.006
  629    HD2  LYS  86           2HD      LYS  86  -3.020  23.144  34.191
  630    HD3  LYS  86           3HD      LYS  86  -2.155  23.930  35.536
  631    HE2  LYS  86           2HE      LYS  86  -1.336  25.678  33.964
  632    HE3  LYS  86           3HE      LYS  86  -2.201  24.891  32.638
  633    HZ1  LYS  86           3HZ      LYS  86  -4.276  25.348  33.799
  634    HZ2  LYS  86           1HZ      LYS  86  -3.472  26.073  35.039
  635    HZ3  LYS  86           2HZ      LYS  86  -3.450  26.741  33.542
  636    H    LYS  87           H        LYS  87  -0.887  18.475  33.611
  637    HA   LYS  87           HA       LYS  87  -2.090  18.969  30.936
  638    HB2  LYS  87           2HB      LYS  87   0.254  18.528  29.991
  639    HB3  LYS  87           3HB      LYS  87  -0.109  20.095  30.673
  640    HG2  LYS  87           2HG      LYS  87   2.038  19.670  31.402
  641    HG3  LYS  87           3HG      LYS  87   1.095  19.373  32.821
  642    HD2  LYS  87           2HD      LYS  87   1.243  16.907  32.422
  643    HD3  LYS  87           3HD      LYS  87   2.108  17.219  30.916
  644    HE2  LYS  87           2HE      LYS  87   3.897  16.851  32.296
  645    HE3  LYS  87           3HE      LYS  87   3.747  18.610  32.445
  646    HZ1  LYS  87           3HZ      LYS  87   2.977  16.497  34.326
  647    HZ2  LYS  87           1HZ      LYS  87   3.875  17.832  34.645
  648    HZ3  LYS  87           2HZ      LYS  87   2.218  17.903  34.442
  649    H    ILE  88           H        ILE  88  -1.107  16.849  29.491
  650    HA   ILE  88           HA       ILE  88  -2.449  14.682  30.780
  651    HB   ILE  88           HB       ILE  88  -1.505  13.172  29.040
  652   HG12  ILE  88          2HG1      ILE  88  -0.304  15.693  27.853
  653   HG13  ILE  88          3HG1      ILE  88   0.595  14.366  28.578
  654   HG21  ILE  88          1HG2      ILE  88  -2.935  14.144  27.243
  655   HG22  ILE  88          2HG2      ILE  88  -3.681  14.123  28.828
  656   HG23  ILE  88          3HG2      ILE  88  -3.024  15.640  28.195
  657   HD11  ILE  88          3HD1      ILE  88  -0.340  12.805  26.853
  658   HD12  ILE  88          1HD1      ILE  88  -1.081  14.210  26.042
  659   HD13  ILE  88          2HD1      ILE  88   0.670  14.101  26.186
  660    H    HIS  89           H        HIS  89  -1.772  12.785  31.689
  661    HA   HIS  89           HA       HIS  89   1.069  12.549  32.483
  662    HD1  HIS  89           HD1      HIS  89   1.621  14.186  35.717
  663    HD2  HIS  89           HD2      HIS  89   0.401  10.170  35.379
  664    HE1  HIS  89           HE1      HIS  89   3.113  12.816  37.295
  665    HB2  HIS  89           2HB      HIS  89  -0.414  13.807  34.191
  666    HB3  HIS  89           3HB      HIS  89  -1.263  12.280  34.414
  667    H    VAL  90           H        VAL  90   1.662  10.370  32.799
  668    HA   VAL  90           HA       VAL  90  -0.325   8.315  31.935
  669    HB   VAL  90           HB       VAL  90   2.687   8.421  31.531
  670   HG11  VAL  90          1HG1      VAL  90   1.855   6.130  31.691
  671   HG12  VAL  90          2HG1      VAL  90   0.626   6.463  30.459
  672   HG13  VAL  90          3HG1      VAL  90   2.354   6.493  30.033
  673   HG21  VAL  90          3HG2      VAL  90   1.731  10.089  30.085
  674   HG22  VAL  90          1HG2      VAL  90   2.090   8.677  29.090
  675   HG23  VAL  90          2HG2      VAL  90   0.421   9.001  29.593
  676    H    TYR  91           H        TYR  91  -0.569   6.506  33.290
  677    HA   TYR  91           HA       TYR  91   1.188   6.125  35.612
  678    HD1  TYR  91           HD1      TYR  91  -1.693   8.861  34.399
  679    HD2  TYR  91           HD2      TYR  91  -2.817   5.861  37.291
  680    HE1  TYR  91           HE1      TYR  91  -4.055   9.217  33.827
  681    HE2  TYR  91           HE2      TYR  91  -5.206   6.237  36.745
  682    HH   TYR  91           HH       TYR  91  -6.251   8.567  34.218
  683    HB2  TYR  91           2HB      TYR  91  -0.558   6.709  37.235
  684    HB3  TYR  91           3HB      TYR  91  -0.131   8.090  36.275
  685    H    GLY  92           H        GLY  92  -0.081   4.558  37.200
  686    HA2  GLY  92           2HA      GLY  92  -1.245   2.685  37.624
  687    HA3  GLY  92           3HA      GLY  92  -2.185   2.963  36.154
  688    H    TYR  93           H        TYR  93  -2.204   0.680  35.859
  689    HA   TYR  93           HA       TYR  93  -0.066  -0.199  34.146
  690    HD1  TYR  93           HD2      TYR  93  -2.164  -0.965  37.531
  691    HD2  TYR  93           HD1      TYR  93   0.182  -4.264  36.016
  692    HE1  TYR  93           HE2      TYR  93  -3.415  -2.507  38.969
  693    HE2  TYR  93           HE1      TYR  93  -1.066  -5.815  37.465
  694    HH   TYR  93           HH       TYR  93  -2.697  -6.026  39.119
  695    HB2  TYR  93           2HB      TYR  93   0.563  -2.164  35.158
  696    HB3  TYR  93           3HB      TYR  93   0.625  -1.015  36.468
  697    H    SER  94           H        SER  94  -0.795  -2.280  33.027
  698    HA   SER  94           HA       SER  94  -3.381  -1.814  32.028
  699    HG   SER  94           HG       SER  94  -0.430  -3.986  31.865
  700    HB2  SER  94           2HB      SER  94  -3.040  -3.959  30.762
  701    HB3  SER  94           3HB      SER  94  -1.734  -2.796  30.590
  702    H    MET  95           H        MET  95  -2.372  -3.989  34.599
  703    HA   MET  95           HA       MET  95  -3.365  -5.664  35.718
  704    HB2  MET  95           2HB      MET  95  -4.884  -3.694  36.267
  705    HB3  MET  95           3HB      MET  95  -6.043  -4.362  35.114
  706    HG2  MET  95           2HG      MET  95  -6.121  -6.461  36.443
  707    HG3  MET  95           3HG      MET  95  -4.967  -5.783  37.583
  708    HE1  MET  95           3HE      MET  95  -7.034  -3.061  39.463
  709    HE2  MET  95           1HE      MET  95  -5.511  -3.969  39.380
  710    HE3  MET  95           2HE      MET  95  -5.920  -2.791  38.112
  711    H    ALA  96           H        ALA  96  -2.800  -5.929  32.868
  712    HA   ALA  96           HA       ALA  96  -4.542  -8.236  32.191
  713    HB1  ALA  96           3HB      ALA  96  -3.779  -6.016  30.242
  714    HB2  ALA  96           1HB      ALA  96  -4.728  -7.467  29.883
  715    HB3  ALA  96           2HB      ALA  96  -5.392  -6.232  30.972
  716    H    TYR  97           H        TYR  97  -1.430  -6.501  31.717
  717    HA   TYR  97           HA       TYR  97  -0.175  -9.154  31.161
  718    HD1  TYR  97           HD2      TYR  97  -1.164  -9.317  28.202
  719    HD2  TYR  97           HD1      TYR  97  -0.522  -5.137  29.058
  720    HE1  TYR  97           HE2      TYR  97  -2.867  -8.705  26.504
  721    HE2  TYR  97           HE1      TYR  97  -2.201  -4.516  27.366
  722    HH   TYR  97           HH       TYR  97  -3.652  -5.304  25.694
  723    HB2  TYR  97           2HB      TYR  97   1.033  -6.775  29.827
  724    HB3  TYR  97           3HB      TYR  97   0.977  -8.439  29.321
  725    H    GLY  98           H        GLY  98   0.359  -5.730  32.026
  726    HA2  GLY  98           2HA      GLY  98   1.604  -5.899  34.458
  727    HA3  GLY  98           3HA      GLY  98   2.917  -6.147  33.287
  728    HA   PRO  99           HA       PRO  99   2.028  -1.500  33.558
  729    HB2  PRO  99           2HB      PRO  99   4.525  -0.751  34.487
  730    HB3  PRO  99           3HB      PRO  99   3.107  -1.036  35.544
  731    HG2  PRO  99           2HG      PRO  99   5.402  -2.899  34.907
  732    HG3  PRO  99           3HG      PRO  99   4.616  -2.602  36.488
  733    HD2  PRO  99           2HD      PRO  99   4.042  -4.779  34.929
  734    HD3  PRO  99           3HD      PRO  99   2.798  -3.988  35.943
  735    H    ALA 100           H        ALA 100   2.579  -0.316  31.776
  736    HA   ALA 100           HA       ALA 100   4.444  -1.368  29.788
  737    HB1  ALA 100           3HB      ALA 100   4.073   0.938  28.762
  738    HB2  ALA 100           1HB      ALA 100   2.607  -0.021  28.967
  739    HB3  ALA 100           2HB      ALA 100   2.979   1.282  30.116
  740    H    GLN 101           H        GLN 101   6.391  -0.147  29.151
  741    HA   GLN 101           HA       GLN 101   7.891   0.937  31.431
  742    HB2  GLN 101           2HB      GLN 101   8.666   0.399  28.535
  743    HB3  GLN 101           3HB      GLN 101   9.742   1.089  29.766
  744    HG2  GLN 101           2HG      GLN 101   9.368  -0.936  31.197
  745    HG3  GLN 101           3HG      GLN 101   8.395  -1.650  29.914
  746   HE21  GLN 101          2HE2      GLN 101   9.486  -2.114  27.798
  747   HE22  GLN 101          1HE2      GLN 101  11.208  -2.407  27.804
  748    H    HIS 102           H        HIS 102   6.230   2.583  31.703
  749    HA   HIS 102           HA       HIS 102   5.270   4.333  29.863
  750    HD1  HIS 102           HD1      HIS 102   5.024   3.069  34.207
  751    HD2  HIS 102           HD2      HIS 102   2.577   4.099  30.964
  752    HE1  HIS 102           HE1      HIS 102   2.927   1.654  34.408
  753    HB2  HIS 102           2HB      HIS 102   5.930   5.048  32.735
  754    HB3  HIS 102           3HB      HIS 102   4.717   5.824  31.721
  755    H    ALA 103           H        ALA 103   8.553   4.568  31.215
  756    HA   ALA 103           HA       ALA 103   9.049   7.292  30.500
  757    HB1  ALA 103           3HB      ALA 103  10.968   4.920  30.620
  758    HB2  ALA 103           1HB      ALA 103  11.421   6.635  30.588
  759    HB3  ALA 103           2HB      ALA 103  10.536   5.984  31.982
  760    H    ILE 104           H        ILE 104   9.241   4.235  28.625
  761    HA   ILE 104           HA       ILE 104  10.419   5.425  26.264
  762    HB   ILE 104           HB       ILE 104   8.747   2.877  26.569
  763   HG12  ILE 104          2HG1      ILE 104  11.770   3.283  26.661
  764   HG13  ILE 104          3HG1      ILE 104  10.738   2.789  28.003
  765   HG21  ILE 104          1HG2      ILE 104   8.853   3.708  24.232
  766   HG22  ILE 104          2HG2      ILE 104  10.630   3.708  24.324
  767   HG23  ILE 104          3HG2      ILE 104   9.713   2.189  24.424
  768   HD11  ILE 104          3HD1      ILE 104  11.824   0.828  27.235
  769   HD12  ILE 104          1HD1      ILE 104  10.138   0.704  26.690
  770   HD13  ILE 104          2HD1      ILE 104  11.424   1.153  25.544
  771    H    SER 105           H        SER 105   7.066   4.471  27.243
  772    HA   SER 105           HA       SER 105   5.767   5.448  24.989
  773    HG   SER 105           HG       SER 105   5.077   3.314  26.058
  774    HB2  SER 105           2HB      SER 105   4.632   5.520  27.805
  775    HB3  SER 105           3HB      SER 105   3.760   5.278  26.281
  776    H    THR 106           H        THR 106   6.546   7.312  28.027
  777    HA   THR 106           HA       THR 106   5.069   9.582  27.116
  778    HB   THR 106           HB       THR 106   6.484  10.818  28.868
  779    HG1  THR 106           1HG      THR 106   7.099   8.152  29.631
  780   HG21  THR 106          3HG2      THR 106   5.130  10.008  30.644
  781   HG22  THR 106          1HG2      THR 106   4.159   9.911  29.179
  782   HG23  THR 106          2HG2      THR 106   4.861   8.435  29.853
  783    H    GLU 107           H        GLU 107   8.565   8.717  26.670
  784    HA   GLU 107           HA       GLU 107   9.214  11.223  25.465
  785    HB2  GLU 107           2HB      GLU 107  10.396   8.432  25.182
  786    HB3  GLU 107           3HB      GLU 107  11.035   9.846  24.330
  787    HG2  GLU 107           2HG      GLU 107  11.356  11.018  26.501
  788    HG3  GLU 107           3HG      GLU 107  10.826   9.578  27.358
  789    H    LYS 108           H        LYS 108   7.914   8.178  24.134
  790    HA   LYS 108           HA       LYS 108   7.946   9.030  21.379
  791    HB2  LYS 108           2HB      LYS 108   6.427   6.911  22.939
  792    HB3  LYS 108           3HB      LYS 108   6.129   7.190  21.211
  793    HG2  LYS 108           2HG      LYS 108   8.507   6.809  20.710
  794    HG3  LYS 108           3HG      LYS 108   8.845   6.523  22.420
  795    HD2  LYS 108           2HD      LYS 108   7.448   4.548  22.453
  796    HD3  LYS 108           3HD      LYS 108   6.870   4.835  20.804
  797    HE2  LYS 108           2HE      LYS 108   9.839   4.597  21.354
  798    HE3  LYS 108           3HE      LYS 108   8.855   3.130  21.257
  799    HZ1  LYS 108           3HZ      LYS 108   8.697   5.108  19.076
  800    HZ2  LYS 108           1HZ      LYS 108   9.913   3.988  19.110
  801    HZ3  LYS 108           2HZ      LYS 108   8.346   3.524  19.046
  802    H    ILE 109           H        ILE 109   5.330   9.193  23.884
  803    HA   ILE 109           HA       ILE 109   3.459  10.539  22.196
  804    HB   ILE 109           HB       ILE 109   3.788  10.626  25.212
  805   HG12  ILE 109          2HG1      ILE 109   1.687   9.007  23.709
  806   HG13  ILE 109          3HG1      ILE 109   3.268   8.325  23.986
  807   HG21  ILE 109          1HG2      ILE 109   1.437  11.366  25.319
  808   HG22  ILE 109          2HG2      ILE 109   2.343  12.507  24.344
  809   HG23  ILE 109          3HG2      ILE 109   1.306  11.306  23.553
  810   HD11  ILE 109          3HD1      ILE 109   3.011   8.646  26.441
  811   HD12  ILE 109          1HD1      ILE 109   1.381   9.294  26.174
  812   HD13  ILE 109          2HD1      ILE 109   1.747   7.615  25.753
  813    H    LYS 110           H        LYS 110   6.160  11.798  24.251
  814    HA   LYS 110           HA       LYS 110   5.552  14.529  23.814
  815    HB2  LYS 110           2HB      LYS 110   7.144  13.416  25.473
  816    HB3  LYS 110           3HB      LYS 110   8.363  13.396  24.197
  817    HG2  LYS 110           2HG      LYS 110   8.349  15.810  24.055
  818    HG3  LYS 110           3HG      LYS 110   6.892  15.929  25.047
  819    HD2  LYS 110           2HD      LYS 110   9.648  15.058  26.017
  820    HD3  LYS 110           3HD      LYS 110   8.810  16.586  26.352
  821    HE2  LYS 110           2HE      LYS 110   6.902  14.981  27.268
  822    HE3  LYS 110           3HE      LYS 110   8.219  13.805  27.412
  823    HZ1  LYS 110           3HZ      LYS 110   7.839  15.059  29.430
  824    HZ2  LYS 110           1HZ      LYS 110   9.341  15.497  28.843
  825    HZ3  LYS 110           2HZ      LYS 110   7.999  16.466  28.659
  826    H    ALA 111           H        ALA 111   7.493  12.253  21.812
  827    HA   ALA 111           HA       ALA 111   8.223  14.182  19.845
  828    HB1  ALA 111           3HB      ALA 111   9.284  11.942  20.079
  829    HB2  ALA 111           1HB      ALA 111   7.786  11.184  19.489
  830    HB3  ALA 111           2HB      ALA 111   8.711  12.257  18.428
  831    H    LYS 112           H        LYS 112   5.219  12.329  20.322
  832    HA   LYS 112           HA       LYS 112   4.015  13.155  17.800
  833    HB2  LYS 112           2HB      LYS 112   3.472  11.075  19.149
  834    HB3  LYS 112           3HB      LYS 112   2.739  12.094  20.362
  835    HG2  LYS 112           2HG      LYS 112   0.972  11.213  19.129
  836    HG3  LYS 112           3HG      LYS 112   1.076  12.889  18.606
  837    HD2  LYS 112           2HD      LYS 112   2.227  12.177  16.523
  838    HD3  LYS 112           3HD      LYS 112   2.267  10.502  17.112
  839    HE2  LYS 112           2HE      LYS 112  -0.334  10.761  17.331
  840    HE3  LYS 112           3HE      LYS 112  -0.134  12.164  16.271
  841    HZ1  LYS 112           3HZ      LYS 112   0.945  10.608  14.673
  842    HZ2  LYS 112           1HZ      LYS 112   0.568   9.345  15.689
  843    HZ3  LYS 112           2HZ      LYS 112  -0.621  10.217  14.979
  844    H    TYR 113           H        TYR 113   4.427  14.593  20.924
  845    HA   TYR 113           HA       TYR 113   3.665  16.316  22.021
  846    HD1  TYR 113           HD2      TYR 113   2.515  19.022  18.823
  847    HD2  TYR 113           HD1      TYR 113   6.094  16.628  18.688
  848    HE1  TYR 113           HE2      TYR 113   2.622  19.325  16.367
  849    HE2  TYR 113           HE1      TYR 113   6.211  16.914  16.241
  850    HH   TYR 113           HH       TYR 113   5.212  17.866  14.364
  851    HB2  TYR 113           2HB      TYR 113   3.897  18.507  20.900
  852    HB3  TYR 113           3HB      TYR 113   5.254  17.427  20.783
  853    HA   PRO 114           HA       PRO 114  -0.859  16.620  20.999
  854    HB2  PRO 114           2HB      PRO 114  -1.959  14.778  22.651
  855    HB3  PRO 114           3HB      PRO 114  -1.342  14.309  21.037
  856    HG2  PRO 114           2HG      PRO 114   0.056  14.053  23.715
  857    HG3  PRO 114           3HG      PRO 114  -0.113  12.818  22.426
  858    HD2  PRO 114           2HD      PRO 114   2.107  14.451  22.730
  859    HD3  PRO 114           3HD      PRO 114   1.569  13.783  21.156
  860    H    ASP 115           H        ASP 115  -2.424  17.268  22.867
  861    HA   ASP 115           HA       ASP 115  -2.853  18.665  24.612
  862    HB2  ASP 115           2HB      ASP 115  -2.654  16.465  25.693
  863    HB3  ASP 115           3HB      ASP 115  -0.959  16.792  26.033
  864    H    TYR 116           H        TYR 116  -0.151  18.797  26.608
  865    HA   TYR 116           HA       TYR 116   1.068  21.063  25.074
  866    HD1  TYR 116           HD1      TYR 116  -0.099  23.586  25.363
  867    HD2  TYR 116           HD2      TYR 116  -2.039  20.816  28.044
  868    HE1  TYR 116           HE1      TYR 116  -2.297  24.596  24.812
  869    HE2  TYR 116           HE2      TYR 116  -4.232  21.805  27.496
  870    HH   TYR 116           HH       TYR 116  -5.358  23.424  26.257
  871    HB2  TYR 116           2HB      TYR 116   0.361  21.000  28.031
  872    HB3  TYR 116           3HB      TYR 116   1.162  22.313  27.185
  873    H    GLU 117           H        GLU 117   1.561  18.462  27.488
  874    HA   GLU 117           HA       GLU 117   4.420  18.335  27.105
  875    HB2  GLU 117           2HB      GLU 117   4.275  20.329  28.564
  876    HB3  GLU 117           3HB      GLU 117   3.188  19.486  29.643
  877    HG2  GLU 117           2HG      GLU 117   5.408  19.690  30.608
  878    HG3  GLU 117           3HG      GLU 117   5.003  18.002  30.376
  879    H    VAL 118           H        VAL 118   5.180  16.442  28.606
  880    HA   VAL 118           HA       VAL 118   2.910  14.653  29.332
  881    HB   VAL 118           HB       VAL 118   5.234  13.540  27.754
  882   HG11  VAL 118          1HG1      VAL 118   3.560  12.085  28.947
  883   HG12  VAL 118          2HG1      VAL 118   2.298  12.726  27.888
  884   HG13  VAL 118          3HG1      VAL 118   3.647  11.795  27.203
  885   HG21  VAL 118          3HG2      VAL 118   2.806  14.785  26.416
  886   HG22  VAL 118          1HG2      VAL 118   4.505  15.235  26.187
  887   HG23  VAL 118          2HG2      VAL 118   3.942  13.658  25.641
  888    H    THR 119           H        THR 119   3.323  13.486  31.164
  889    HA   THR 119           HA       THR 119   6.076  12.943  32.052
  890    HB   THR 119           HB       THR 119   5.291  13.671  34.412
  891    HG1  THR 119           1HG      THR 119   3.102  14.027  33.820
  892   HG21  THR 119          3HG2      THR 119   7.007  14.910  33.128
  893   HG22  THR 119          1HG2      THR 119   5.741  15.892  32.372
  894   HG23  THR 119          2HG2      THR 119   6.007  15.974  34.127
  895    H    TRP 120           H        TRP 120   5.910  11.385  34.074
  896    HA   TRP 120           HA       TRP 120   3.400   9.945  34.208
  897    HD1  TRP 120           HD1      TRP 120   7.305   9.588  32.169
  898    HE1  TRP 120           HE1      TRP 120   9.457   8.412  32.850
  899    HE3  TRP 120           HE3      TRP 120   5.332   6.135  35.384
  900    HZ2  TRP 120           HZ2      TRP 120  10.239   6.177  34.546
  901    HZ3  TRP 120           HZ3      TRP 120   6.795   4.470  36.489
  902    HH2  TRP 120           HH2      TRP 120   9.249   4.484  36.086
  903    HB2  TRP 120           2HB      TRP 120   4.311   7.770  33.772
  904    HB3  TRP 120           3HB      TRP 120   4.669   8.769  32.391
  905    H    ALA 121           H        ALA 121   3.497   8.274  35.978
  906    HA   ALA 121           HA       ALA 121   5.651   8.589  37.947
  907    HB1  ALA 121           3HB      ALA 121   4.066   9.017  39.796
  908    HB2  ALA 121           1HB      ALA 121   3.983  10.330  38.604
  909    HB3  ALA 121           2HB      ALA 121   2.713   9.087  38.647
  910    H    ASN 122           H        ASN 122   5.749   6.804  39.355
  911    HA   ASN 122           HA       ASN 122   4.577   4.329  38.288
  912    HB2  ASN 122           2HB      ASN 122   7.021   4.497  38.835
  913    HB3  ASN 122           3HB      ASN 122   6.597   4.762  40.530
  914   HD21  ASN 122          2HD2      ASN 122   7.407   2.813  41.429
  915   HD22  ASN 122          1HD2      ASN 122   6.840   1.233  40.939
  916    H    ASP 123           H        ASP 123   2.415   5.476  39.061
  917    HA   ASP 123           HA       ASP 123   1.640   4.491  41.726
  918    HB2  ASP 123           2HB      ASP 123   2.605   6.753  42.107
  919    HB3  ASP 123           3HB      ASP 123   1.525   7.422  40.886
  920    H    GLY 124           H        GLY 124  -0.796   4.982  42.013
  921    HA2  GLY 124           2HA      GLY 124  -2.958   5.022  41.279
  922    HA3  GLY 124           3HA      GLY 124  -2.394   5.623  39.711
  923    H    TYR 125           H        TYR 125  -1.296   2.564  41.086
  924    HA   TYR 125           HA       TYR 125  -1.887   0.999  38.782
  925    HD1  TYR 125           HD1      TYR 125   0.740   2.064  40.512
  926    HD2  TYR 125           HD2      TYR 125   0.092  -2.055  39.411
  927    HE1  TYR 125           HE1      TYR 125   3.015   1.964  39.582
  928    HE2  TYR 125           HE2      TYR 125   2.384  -2.164  38.472
  929    HH   TYR 125           HH       TYR 125   4.626   0.643  38.588
  930    HB2  TYR 125           2HB      TYR 125  -1.138   0.321  41.633
  931    HB3  TYR 125           3HB      TYR 125  -1.610  -0.921  40.494
  Start of MODEL   12
    1    HA   MET   1           HA       MET   1  -1.338  -8.724   2.236
    2    H1   MET   1           H1       MET   1  -2.286  -9.715   0.292
    3    H2   MET   1           H2       MET   1  -2.546 -10.686   1.593
    4    H3   MET   1           H3       MET   1  -1.392 -11.071   0.473
    5    HB2  MET   1           2HB      MET   1   0.406 -11.229   2.322
    6    HB3  MET   1           3HB      MET   1   0.660  -9.768   3.276
    7    HG2  MET   1           2HG      MET   1  -1.685 -11.683   3.475
    8    HG3  MET   1           3HG      MET   1  -0.416 -11.395   4.656
    9    HE1  MET   1           3HE      MET   1  -3.535 -10.087   6.571
   10    HE2  MET   1           1HE      MET   1  -3.411 -11.501   5.502
   11    HE3  MET   1           2HE      MET   1  -2.090 -11.118   6.633
   12    H    ALA   2           H        ALA   2   0.789  -7.531   2.143
   13    HA   ALA   2           HA       ALA   2   2.120  -7.658  -0.502
   14    HB1  ALA   2           3HB      ALA   2   0.731  -5.191   0.643
   15    HB2  ALA   2           1HB      ALA   2   1.701  -5.251  -0.842
   16    HB3  ALA   2           2HB      ALA   2   0.170  -6.136  -0.758
   17    H    VAL   3           H        VAL   3   3.919  -5.858  -0.467
   18    HA   VAL   3           HA       VAL   3   5.551  -6.154   1.878
   19    HB   VAL   3           HB       VAL   3   6.989  -4.490   0.665
   20   HG11  VAL   3          1HG1      VAL   3   7.312  -6.919   0.435
   21   HG12  VAL   3          2HG1      VAL   3   6.174  -6.960  -0.931
   22   HG13  VAL   3          3HG1      VAL   3   7.704  -6.072  -1.068
   23   HG21  VAL   3          3HG2      VAL   3   5.223  -3.324  -0.670
   24   HG22  VAL   3          1HG2      VAL   3   6.561  -3.926  -1.657
   25   HG23  VAL   3          2HG2      VAL   3   5.018  -4.793  -1.652
   26    H    ALA   4           H        ALA   4   6.255  -4.411   3.197
   27    HA   ALA   4           HA       ALA   4   4.936  -1.879   3.362
   28    HB1  ALA   4           3HB      ALA   4   4.050  -2.239   5.682
   29    HB2  ALA   4           1HB      ALA   4   3.196  -3.230   4.496
   30    HB3  ALA   4           2HB      ALA   4   4.428  -3.969   5.548
   31    H    ASP   5           H        ASP   5   5.862  -0.935   5.669
   32    HA   ASP   5           HA       ASP   5   8.386  -2.145   6.469
   33    HB2  ASP   5           2HB      ASP   5   9.038  -0.699   4.530
   34    HB3  ASP   5           3HB      ASP   5   8.298   0.687   5.333
   35    H    LEU   6           H        LEU   6   9.027  -1.271   8.551
   36    HA   LEU   6           HA       LEU   6   6.878  -0.652  10.285
   37    HG   LEU   6           HG       LEU   6   8.899  -2.733  10.360
   38    HB2  LEU   6           2HB      LEU   6   9.902  -0.399  10.561
   39    HB3  LEU   6           3HB      LEU   6   8.803  -0.130  11.904
   40   HD11  LEU   6          1HD1      LEU   6  10.250  -2.044  12.995
   41   HD12  LEU   6          2HD1      LEU   6  10.199  -3.646  12.217
   42   HD13  LEU   6          3HD1      LEU   6  11.069  -2.313  11.445
   43   HD21  LEU   6          3HD2      LEU   6   7.786  -3.652  12.402
   44   HD22  LEU   6          1HD2      LEU   6   7.646  -2.002  13.047
   45   HD23  LEU   6          2HD2      LEU   6   6.792  -2.467  11.561
   46    H    ALA   7           H        ALA   7   8.944   1.520   8.400
   47    HA   ALA   7           HA       ALA   7   8.488   3.903   9.879
   48    HB1  ALA   7           3HB      ALA   7   9.095   5.034   7.775
   49    HB2  ALA   7           1HB      ALA   7  10.182   3.666   8.089
   50    HB3  ALA   7           2HB      ALA   7   8.881   3.514   6.882
   51    H    LEU   8           H        LEU   8   6.318   2.062   7.782
   52    HA   LEU   8           HA       LEU   8   4.598   4.311   7.096
   53    HG   LEU   8           HG       LEU   8   5.947   1.840   5.505
   54    HB2  LEU   8           2HB      LEU   8   4.044   1.316   7.012
   55    HB3  LEU   8           3HB      LEU   8   3.078   2.570   6.247
   56   HD11  LEU   8          1HD1      LEU   8   4.216   0.160   4.873
   57   HD12  LEU   8          2HD1      LEU   8   3.340   1.419   3.984
   58   HD13  LEU   8          3HD1      LEU   8   4.970   0.931   3.465
   59   HD21  LEU   8          3HD2      LEU   8   4.056   3.874   4.244
   60   HD22  LEU   8          1HD2      LEU   8   5.598   4.220   5.063
   61   HD23  LEU   8          2HD2      LEU   8   5.595   3.328   3.541
   62    H    ILE   9           H        ILE   9   4.906   2.164   9.836
   63    HA   ILE   9           HA       ILE   9   2.153   2.506  10.762
   64    HB   ILE   9           HB       ILE   9   4.647   1.215  11.942
   65   HG12  ILE   9          2HG1      ILE   9   2.051  -0.053  10.946
   66   HG13  ILE   9          3HG1      ILE   9   3.492   0.114   9.948
   67   HG21  ILE   9          1HG2      ILE   9   1.835   1.239  13.117
   68   HG22  ILE   9          2HG2      ILE   9   3.216   0.299  13.733
   69   HG23  ILE   9          3HG2      ILE   9   3.267   2.045  13.800
   70   HD11  ILE   9          3HD1      ILE   9   3.430  -2.116  10.811
   71   HD12  ILE   9          1HD1      ILE   9   4.791  -1.252  11.552
   72   HD13  ILE   9          2HD1      ILE   9   3.304  -1.548  12.480
   73    HA   PRO  10           HA       PRO  10   3.410   6.430  12.638
   74    HB2  PRO  10           2HB      PRO  10   1.218   6.952  14.218
   75    HB3  PRO  10           3HB      PRO  10   1.232   7.170  12.443
   76    HG2  PRO  10           2HG      PRO  10   0.167   4.823  14.027
   77    HG3  PRO  10           3HG      PRO  10  -0.603   5.677  12.655
   78    HD2  PRO  10           2HD      PRO  10   0.769   3.332  12.336
   79    HD3  PRO  10           3HD      PRO  10   0.790   4.609  11.083
   80    H    ASP  11           H        ASP  11   4.408   7.008  14.604
   81    HA   ASP  11           HA       ASP  11   5.200   4.814  16.296
   82    HB2  ASP  11           2HB      ASP  11   6.665   6.681  15.561
   83    HB3  ASP  11           3HB      ASP  11   5.710   7.803  16.536
   84    H    VAL  12           H        VAL  12   2.873   7.448  16.628
   85    HA   VAL  12           HA       VAL  12   1.912   6.403  19.216
   86    HB   VAL  12           HB       VAL  12   2.362   9.347  18.548
   87   HG11  VAL  12          1HG1      VAL  12   1.712   9.782  20.869
   88   HG12  VAL  12          2HG1      VAL  12   0.410   8.953  20.020
   89   HG13  VAL  12          3HG1      VAL  12   1.440   8.047  21.152
   90   HG21  VAL  12          3HG2      VAL  12   4.535   8.357  19.016
   91   HG22  VAL  12          1HG2      VAL  12   4.037   9.341  20.387
   92   HG23  VAL  12          2HG2      VAL  12   3.906   7.567  20.478
   93    H    ASP  13           H        ASP  13  -0.317   6.189  19.095
   94    HA   ASP  13           HA       ASP  13  -1.905   7.995  17.461
   95    HB2  ASP  13           2HB      ASP  13  -1.361   6.133  15.861
   96    HB3  ASP  13           3HB      ASP  13  -2.131   4.995  16.963
   97    H    ILE  14           H        ILE  14  -3.106   8.686  19.162
   98    HA   ILE  14           HA       ILE  14  -4.157   6.753  21.110
   99    HB   ILE  14           HB       ILE  14  -3.392   8.172  22.956
  100   HG12  ILE  14          2HG1      ILE  14  -1.688   9.636  20.906
  101   HG13  ILE  14          3HG1      ILE  14  -3.059  10.302  21.793
  102   HG21  ILE  14          1HG2      ILE  14  -1.034   7.127  21.360
  103   HG22  ILE  14          2HG2      ILE  14  -1.187   7.252  23.127
  104   HG23  ILE  14          3HG2      ILE  14  -2.187   6.103  22.238
  105   HD11  ILE  14          3HD1      ILE  14  -1.812   9.955  23.937
  106   HD12  ILE  14          1HD1      ILE  14  -0.403   9.419  22.990
  107   HD13  ILE  14          2HD1      ILE  14  -1.012  11.070  22.814
  108    H    ASP  15           H        ASP  15  -5.848   7.638  22.455
  109    HA   ASP  15           HA       ASP  15  -7.727   9.091  20.909
  110    HB2  ASP  15           2HB      ASP  15  -7.896   7.287  22.947
  111    HB3  ASP  15           3HB      ASP  15  -8.250   8.767  23.827
  112    H    SER  16           H        SER  16  -9.136  10.837  22.088
  113    HA   SER  16           HA       SER  16  -7.440  13.077  23.072
  114    HG   SER  16           HG       SER  16  -7.282  13.437  19.483
  115    HB2  SER  16           2HB      SER  16  -9.246  13.202  20.625
  116    HB3  SER  16           3HB      SER  16  -8.238  14.505  21.270
  117    H    ASP  17           H        ASP  17  -9.631  11.384  24.302
  118    HA   ASP  17           HA       ASP  17 -11.621  13.532  24.851
  119    HB2  ASP  17           2HB      ASP  17 -12.501  11.891  23.205
  120    HB3  ASP  17           3HB      ASP  17 -12.271  10.604  24.391
  121    H    GLY  18           H        GLY  18  -9.416  13.207  26.482
  122    HA2  GLY  18           2HA      GLY  18  -9.342  13.495  28.794
  123    HA3  GLY  18           3HA      GLY  18 -10.862  12.621  28.986
  124    H    VAL  19           H        VAL  19 -10.456  10.852  30.260
  125    HA   VAL  19           HA       VAL  19  -7.881   9.529  30.287
  126    HB   VAL  19           HB       VAL  19 -10.504   8.622  31.542
  127   HG11  VAL  19          1HG1      VAL  19  -9.010   7.415  33.130
  128   HG12  VAL  19          2HG1      VAL  19  -8.805   6.838  31.476
  129   HG13  VAL  19          3HG1      VAL  19  -7.596   7.932  32.183
  130   HG21  VAL  19          3HG2      VAL  19  -8.318  10.387  32.730
  131   HG22  VAL  19          1HG2      VAL  19  -9.999  10.862  32.409
  132   HG23  VAL  19          2HG2      VAL  19  -9.654   9.656  33.644
  133    H    PHE  20           H        PHE  20  -7.318   7.611  29.219
  134    HA   PHE  20           HA       PHE  20  -9.385   5.844  28.187
  135    HD1  PHE  20           HD1      PHE  20  -7.707   9.300  26.640
  136    HD2  PHE  20           HD2      PHE  20  -6.156   5.523  25.297
  137    HE1  PHE  20           HE1      PHE  20  -5.594  10.406  25.954
  138    HE2  PHE  20           HE2      PHE  20  -4.045   6.621  24.622
  139    HZ   PHE  20           HZ       PHE  20  -3.763   9.081  24.963
  140    HB2  PHE  20           2HB      PHE  20  -8.491   5.746  25.898
  141    HB3  PHE  20           3HB      PHE  20  -9.187   7.314  26.260
  142    H    LYS  21           H        LYS  21  -8.544   3.722  27.782
  143    HA   LYS  21           HA       LYS  21  -6.103   3.062  29.262
  144    HB2  LYS  21           2HB      LYS  21  -7.845   1.254  27.531
  145    HB3  LYS  21           3HB      LYS  21  -6.610   0.753  28.690
  146    HG2  LYS  21           2HG      LYS  21  -7.954   1.829  30.531
  147    HG3  LYS  21           3HG      LYS  21  -9.237   2.158  29.353
  148    HD2  LYS  21           2HD      LYS  21  -9.430  -0.302  28.913
  149    HD3  LYS  21           3HD      LYS  21  -8.204  -0.588  30.175
  150    HE2  LYS  21           2HE      LYS  21  -9.688   0.680  31.794
  151    HE3  LYS  21           3HE      LYS  21 -10.915   0.788  30.529
  152    HZ1  LYS  21           3HZ      LYS  21 -11.078  -1.638  30.543
  153    HZ2  LYS  21           1HZ      LYS  21  -9.910  -1.735  31.723
  154    HZ3  LYS  21           2HZ      LYS  21 -11.351  -1.032  32.033
  155    H    TYR  22           H        TYR  22  -4.251   2.020  28.283
  156    HA   TYR  22           HA       TYR  22  -3.916   2.252  25.400
  157    HD1  TYR  22           HD2      TYR  22  -1.882   4.057  28.897
  158    HD2  TYR  22           HD1      TYR  22  -0.350   3.372  24.934
  159    HE1  TYR  22           HE2      TYR  22   0.401   3.991  29.807
  160    HE2  TYR  22           HE1      TYR  22   1.949   3.228  25.850
  161    HH   TYR  22           HH       TYR  22   3.289   3.605  27.667
  162    HB2  TYR  22           2HB      TYR  22  -2.626   4.070  25.283
  163    HB3  TYR  22           3HB      TYR  22  -3.264   4.512  26.838
  164    H    VAL  23           H        VAL  23  -1.717   1.422  24.765
  165    HA   VAL  23           HA       VAL  23  -0.568  -0.522  26.645
  166    HB   VAL  23           HB       VAL  23  -2.549  -1.561  25.570
  167   HG11  VAL  23          1HG1      VAL  23  -2.585  -2.090  23.185
  168   HG12  VAL  23          2HG1      VAL  23  -2.618  -0.344  23.464
  169   HG13  VAL  23          3HG1      VAL  23  -1.120  -1.114  22.934
  170   HG21  VAL  23          3HG2      VAL  23  -0.865  -3.084  26.216
  171   HG22  VAL  23          1HG2      VAL  23  -1.482  -3.598  24.649
  172   HG23  VAL  23          2HG2      VAL  23   0.094  -2.784  24.755
  173    H    LEU  24           H        LEU  24   1.562  -1.037  26.115
  174    HA   LEU  24           HA       LEU  24   2.847   0.546  23.923
  175    HG   LEU  24           HG       LEU  24   5.544  -0.822  24.400
  176    HB2  LEU  24           2HB      LEU  24   3.833   1.009  26.139
  177    HB3  LEU  24           3HB      LEU  24   3.994  -0.724  26.444
  178   HD11  LEU  24          1HD1      LEU  24   6.628   1.164  23.624
  179   HD12  LEU  24          2HD1      LEU  24   4.892   1.456  23.471
  180   HD13  LEU  24          3HD1      LEU  24   5.796   2.178  24.814
  181   HD21  LEU  24          3HD2      LEU  24   6.375  -0.889  26.733
  182   HD22  LEU  24          1HD2      LEU  24   7.496  -0.075  25.632
  183   HD23  LEU  24          2HD2      LEU  24   6.478   0.881  26.739
  184    H    ILE  25           H        ILE  25   3.450  -0.713  22.172
  185    HA   ILE  25           HA       ILE  25   3.528  -3.677  22.541
  186    HB   ILE  25           HB       ILE  25   2.057  -2.095  20.387
  187   HG12  ILE  25          2HG1      ILE  25   0.976  -4.097  22.432
  188   HG13  ILE  25          3HG1      ILE  25   0.861  -2.348  22.601
  189   HG21  ILE  25          1HG2      ILE  25   1.433  -4.330  19.460
  190   HG22  ILE  25          2HG2      ILE  25   3.147  -4.057  19.398
  191   HG23  ILE  25          3HG2      ILE  25   2.478  -5.106  20.678
  192   HD11  ILE  25          3HD1      ILE  25  -0.454  -3.908  20.344
  193   HD12  ILE  25          1HD1      ILE  25  -1.232  -3.304  21.794
  194   HD13  ILE  25          2HD1      ILE  25  -0.542  -2.155  20.633
  195    H    ARG  26           H        ARG  26   5.135  -4.670  21.460
  196    HA   ARG  26           HA       ARG  26   7.045  -3.029  19.889
  197    HE   ARG  26           HE       ARG  26  10.671  -4.096  21.764
  198    HB2  ARG  26           2HB      ARG  26   7.918  -4.443  21.747
  199    HB3  ARG  26           3HB      ARG  26   7.228  -5.875  20.994
  200    HG2  ARG  26           2HG      ARG  26   8.714  -5.619  19.053
  201    HG3  ARG  26           3HG      ARG  26   9.350  -4.097  19.695
  202    HD2  ARG  26           2HD      ARG  26   9.573  -6.805  21.063
  203    HD3  ARG  26           3HD      ARG  26  10.844  -6.062  20.084
  204   HH11  ARG  26          1HH2      ARG  26  10.034  -7.473  22.881
  205   HH12  ARG  26          2HH2      ARG  26  10.887  -7.207  24.356
  206   HH21  ARG  26          1HH1      ARG  26  11.453  -3.734  23.680
  207   HH22  ARG  26          2HH1      ARG  26  11.655  -4.978  24.900
  208    H    VAL  27           H        VAL  27   7.436  -3.660  17.734
  209    HA   VAL  27           HA       VAL  27   5.515  -5.558  16.509
  210    HB   VAL  27           HB       VAL  27   6.315  -2.803  15.454
  211   HG11  VAL  27          1HG1      VAL  27   4.529  -3.228  13.761
  212   HG12  VAL  27          2HG1      VAL  27   5.855  -4.381  13.635
  213   HG13  VAL  27          3HG1      VAL  27   4.338  -4.877  14.409
  214   HG21  VAL  27          3HG2      VAL  27   3.919  -2.198  15.801
  215   HG22  VAL  27          1HG2      VAL  27   3.676  -3.724  16.674
  216   HG23  VAL  27          2HG2      VAL  27   4.772  -2.484  17.317
  217    H    HIS  28           H        HIS  28   6.419  -6.702  14.795
  218    HA   HIS  28           HA       HIS  28   9.338  -6.391  14.275
  219    HD1  HIS  28           HD1      HIS  28  10.637  -7.744  16.654
  220    HD2  HIS  28           HD2      HIS  28   6.723  -9.287  16.722
  221    HE1  HIS  28           HE1      HIS  28  10.110  -8.284  19.098
  222    HB2  HIS  28           2HB      HIS  28   7.778  -9.001  14.348
  223    HB3  HIS  28           3HB      HIS  28   9.522  -8.789  14.245
  224    H    SER  29           H        SER  29   9.791  -6.362  12.000
  225    HA   SER  29           HA       SER  29   7.440  -6.224  10.278
  226    HG   SER  29           HG       SER  29  11.200  -5.313   9.148
  227    HB2  SER  29           2HB      SER  29   9.130  -5.931   8.443
  228    HB3  SER  29           3HB      SER  29   9.103  -4.710   9.706
  229    H    ALA  30           H        ALA  30   6.830  -7.601   8.638
  230    HA   ALA  30           HA       ALA  30   8.366  -9.934   7.919
  231    HB1  ALA  30           3HB      ALA  30   7.196 -10.875   9.846
  232    HB2  ALA  30           1HB      ALA  30   5.631 -10.299   9.207
  233    HB3  ALA  30           2HB      ALA  30   6.559 -11.544   8.326
  234    HA   PRO  31           HA       PRO  31   5.714  -7.269   5.093
  235    HB2  PRO  31           2HB      PRO  31   8.039  -7.290   3.250
  236    HB3  PRO  31           3HB      PRO  31   7.158  -5.901   3.933
  237    HG2  PRO  31           2HG      PRO  31   9.704  -6.572   4.741
  238    HG3  PRO  31           3HG      PRO  31   8.497  -5.809   5.822
  239    HD2  PRO  31           2HD      PRO  31   9.251  -8.739   5.651
  240    HD3  PRO  31           3HD      PRO  31   8.961  -7.730   7.077
  241    H    ARG  32           H        ARG  32   4.535  -8.023   3.245
  242    HA   ARG  32           HA       ARG  32   3.568  -9.605   2.005
  243    HE   ARG  32           HE       ARG  32   4.321 -12.736   0.454
  244    HB2  ARG  32           2HB      ARG  32   6.102  -9.100   0.939
  245    HB3  ARG  32           3HB      ARG  32   6.067 -10.842   0.967
  246    HG2  ARG  32           2HG      ARG  32   4.101  -8.960  -0.408
  247    HG3  ARG  32           3HG      ARG  32   5.338  -9.933  -1.184
  248    HD2  ARG  32           2HD      ARG  32   2.845 -10.980   0.214
  249    HD3  ARG  32           3HD      ARG  32   3.110 -10.906  -1.522
  250   HH11  ARG  32          1HH2      ARG  32   4.260 -11.735  -2.963
  251   HH12  ARG  32          2HH2      ARG  32   5.039 -13.160  -3.545
  252   HH21  ARG  32          1HH1      ARG  32   5.329 -14.643  -0.324
  253   HH22  ARG  32          2HH1      ARG  32   5.663 -14.849  -1.999
  254    H    SER  33           H        SER  33   4.493 -10.439   4.818
  255    HA   SER  33           HA       SER  33   4.711 -12.195   6.141
  256    HG   SER  33           HG       SER  33   1.293 -12.814   5.549
  257    HB2  SER  33           2HB      SER  33   2.961 -13.664   4.141
  258    HB3  SER  33           3HB      SER  33   3.156 -14.020   5.865
  259    H    GLY  34           H        GLY  34   6.850 -11.905   4.071
  260    HA2  GLY  34           2HA      GLY  34   8.267 -14.306   4.631
  261    HA3  GLY  34           3HA      GLY  34   7.554 -14.452   3.024
  262    H    ALA  35           H        ALA  35   8.303 -11.152   3.385
  263    HA   ALA  35           HA       ALA  35  10.551 -11.277   1.628
  264    HB1  ALA  35           3HB      ALA  35  10.715  -8.852   2.089
  265    HB2  ALA  35           1HB      ALA  35   9.027  -9.317   1.804
  266    HB3  ALA  35           2HB      ALA  35   9.615  -9.032   3.461
  267    HA   PRO  36           HA       PRO  36  13.743 -11.990   4.646
  268    HB2  PRO  36           2HB      PRO  36  16.000 -11.177   3.365
  269    HB3  PRO  36           3HB      PRO  36  14.985 -12.511   2.753
  270    HG2  PRO  36           2HG      PRO  36  14.898  -9.597   1.890
  271    HG3  PRO  36           3HG      PRO  36  15.048 -11.051   0.850
  272    HD2  PRO  36           2HD      PRO  36  12.641  -9.866   1.342
  273    HD3  PRO  36           3HD      PRO  36  12.795 -11.640   1.183
  274    H    ALA  37           H        ALA  37  12.378 -10.152   5.833
  275    HA   ALA  37           HA       ALA  37  14.371  -8.275   6.925
  276    HB1  ALA  37           3HB      ALA  37  13.099  -6.905   5.298
  277    HB2  ALA  37           1HB      ALA  37  11.572  -7.433   6.046
  278    HB3  ALA  37           2HB      ALA  37  12.716  -6.434   6.965
  279    H    ALA  38           H        ALA  38  14.118  -8.028   9.110
  280    HA   ALA  38           HA       ALA  38  11.791  -9.013  10.574
  281    HB1  ALA  38           3HB      ALA  38  13.105 -10.673  11.855
  282    HB2  ALA  38           1HB      ALA  38  13.073 -11.101  10.138
  283    HB3  ALA  38           2HB      ALA  38  14.529 -10.356  10.840
  284    H    GLU  39           H        GLU  39  12.697  -6.460  10.300
  285    HA   GLU  39           HA       GLU  39  14.474  -5.642  12.506
  286    HB2  GLU  39           2HB      GLU  39  12.759  -4.073  10.524
  287    HB3  GLU  39           3HB      GLU  39  13.772  -3.350  11.782
  288    HG2  GLU  39           2HG      GLU  39  15.778  -4.465  10.790
  289    HG3  GLU  39           3HG      GLU  39  14.769  -5.081   9.480
  290    H    SER  40           H        SER  40  13.293  -3.785  13.961
  291    HA   SER  40           HA       SER  40  10.522  -4.436  14.549
  292    HG   SER  40           HG       SER  40  11.688  -6.523  14.723
  293    HB2  SER  40           2HB      SER  40  12.697  -4.975  16.599
  294    HB3  SER  40           3HB      SER  40  10.954  -5.085  16.902
  295    H    LYS  41           H        LYS  41   9.691  -3.126  16.350
  296    HA   LYS  41           HA       LYS  41  10.888  -0.477  16.814
  297    HB2  LYS  41           2HB      LYS  41  10.059  -0.275  14.543
  298    HB3  LYS  41           3HB      LYS  41   8.545  -1.089  14.951
  299    HG2  LYS  41           2HG      LYS  41   7.734   0.812  16.158
  300    HG3  LYS  41           3HG      LYS  41   9.312   1.637  16.056
  301    HD2  LYS  41           2HD      LYS  41   9.113   1.811  13.636
  302    HD3  LYS  41           3HD      LYS  41   7.624   0.839  13.643
  303    HE2  LYS  41           2HE      LYS  41   6.383   2.544  14.771
  304    HE3  LYS  41           3HE      LYS  41   7.835   3.506  15.094
  305    HZ1  LYS  41           3HZ      LYS  41   7.999   4.059  12.824
  306    HZ2  LYS  41           1HZ      LYS  41   6.964   2.880  12.334
  307    HZ3  LYS  41           2HZ      LYS  41   6.378   4.169  13.099
  308    H    GLU  42           H        GLU  42   9.289   0.783  18.303
  309    HA   GLU  42           HA       GLU  42   7.285  -0.960  19.624
  310    HB2  GLU  42           2HB      GLU  42   9.481   0.730  20.875
  311    HB3  GLU  42           3HB      GLU  42   8.001   0.307  21.758
  312    HG2  GLU  42           2HG      GLU  42   8.436  -2.024  21.631
  313    HG3  GLU  42           3HG      GLU  42   9.722  -1.821  20.445
  314    H    ILE  43           H        ILE  43   5.403   0.126  20.152
  315    HA   ILE  43           HA       ILE  43   5.142   2.949  19.239
  316    HB   ILE  43           HB       ILE  43   3.104   2.284  18.016
  317   HG12  ILE  43          2HG1      ILE  43   3.995  -0.607  18.358
  318   HG13  ILE  43          3HG1      ILE  43   2.671   0.118  19.259
  319   HG21  ILE  43          1HG2      ILE  43   5.494   0.748  16.944
  320   HG22  ILE  43          2HG2      ILE  43   4.204   1.549  16.024
  321   HG23  ILE  43          3HG2      ILE  43   5.374   2.521  16.928
  322   HD11  ILE  43          3HD1      ILE  43   2.724  -0.202  16.237
  323   HD12  ILE  43          1HD1      ILE  43   1.832  -1.197  17.402
  324   HD13  ILE  43          2HD1      ILE  43   1.415   0.511  17.205
  325    H    VAL  44           H        VAL  44   3.288   4.038  19.979
  326    HA   VAL  44           HA       VAL  44   2.123   2.957  22.517
  327    HB   VAL  44           HB       VAL  44   2.265   5.836  21.513
  328   HG11  VAL  44          1HG1      VAL  44   1.833   4.800  24.339
  329   HG12  VAL  44          2HG1      VAL  44   1.768   6.477  23.797
  330   HG13  VAL  44          3HG1      VAL  44   0.522   5.338  23.274
  331   HG21  VAL  44          3HG2      VAL  44   4.088   6.178  23.174
  332   HG22  VAL  44          1HG2      VAL  44   4.170   4.410  23.407
  333   HG23  VAL  44          2HG2      VAL  44   4.566   5.137  21.834
  334    H    ARG  45           H        ARG  45  -0.053   2.419  22.447
  335    HA   ARG  45           HA       ARG  45  -1.796   3.541  20.291
  336    HE   ARG  45           HE       ARG  45  -0.546   3.542  18.670
  337    HB2  ARG  45           2HB      ARG  45  -1.594   0.647  21.264
  338    HB3  ARG  45           3HB      ARG  45  -2.827   1.251  20.173
  339    HG2  ARG  45           2HG      ARG  45   0.156   1.123  19.516
  340    HG3  ARG  45           3HG      ARG  45  -1.021  -0.099  19.114
  341    HD2  ARG  45           2HD      ARG  45  -0.994   1.018  17.135
  342    HD3  ARG  45           3HD      ARG  45  -2.324   1.877  17.921
  343   HH11  ARG  45          1HH2      ARG  45  -0.229   1.968  15.467
  344   HH12  ARG  45          2HH2      ARG  45   1.225   2.870  15.107
  345   HH21  ARG  45          1HH1      ARG  45   1.336   4.531  18.187
  346   HH22  ARG  45          2HH1      ARG  45   2.062   4.372  16.595
  347    H    GLY  46           H        GLY  46  -3.907   4.055  21.157
  348    HA2  GLY  46           2HA      GLY  46  -4.923   2.623  23.397
  349    HA3  GLY  46           3HA      GLY  46  -4.303   4.182  23.954
  350    H    TYR  47           H        TYR  47  -7.076   2.821  23.381
  351    HA   TYR  47           HA       TYR  47  -8.317   5.246  22.190
  352    HD1  TYR  47           HD2      TYR  47  -8.116   5.443  19.331
  353    HD2  TYR  47           HD1      TYR  47  -6.959   1.473  20.544
  354    HE1  TYR  47           HE2      TYR  47  -6.332   5.440  17.601
  355    HE2  TYR  47           HE1      TYR  47  -5.188   1.446  18.814
  356    HH   TYR  47           HH       TYR  47  -4.223   2.611  17.024
  357    HB2  TYR  47           2HB      TYR  47  -8.999   2.419  21.358
  358    HB3  TYR  47           3HB      TYR  47  -9.637   3.930  20.707
  359    H    LYS  48           H        LYS  48 -10.283   5.743  23.050
  360    HA   LYS  48           HA       LYS  48 -10.764   4.713  25.663
  361    HB2  LYS  48           2HB      LYS  48 -11.087   7.064  24.752
  362    HB3  LYS  48           3HB      LYS  48 -12.581   6.504  23.994
  363    HG2  LYS  48           2HG      LYS  48 -13.551   6.010  26.187
  364    HG3  LYS  48           3HG      LYS  48 -11.995   6.329  26.991
  365    HD2  LYS  48           2HD      LYS  48 -12.071   8.680  26.261
  366    HD3  LYS  48           3HD      LYS  48 -13.595   8.381  25.396
  367    HE2  LYS  48           2HE      LYS  48 -14.697   7.791  27.530
  368    HE3  LYS  48           3HE      LYS  48 -13.174   8.061  28.401
  369    HZ1  LYS  48           3HZ      LYS  48 -14.552  10.158  26.809
  370    HZ2  LYS  48           1HZ      LYS  48 -14.691   9.998  28.458
  371    HZ3  LYS  48           2HZ      LYS  48 -13.251  10.366  27.730
  372    H    TRP  49           H        TRP  49 -12.132   3.738  22.557
  373    HA   TRP  49           HA       TRP  49 -14.503   2.533  23.626
  374    HD1  TRP  49           HD1      TRP  49 -12.881   3.933  19.653
  375    HE1  TRP  49           HE1      TRP  49 -10.789   3.165  18.400
  376    HE3  TRP  49           HE3      TRP  49 -12.335  -0.752  21.705
  377    HZ2  TRP  49           HZ2      TRP  49  -8.927   0.997  18.527
  378    HZ3  TRP  49           HZ3      TRP  49 -10.287  -2.059  21.250
  379    HH2  TRP  49           HH2      TRP  49  -8.530  -1.158  19.738
  380    HB2  TRP  49           2HB      TRP  49 -14.529   1.251  21.484
  381    HB3  TRP  49           3HB      TRP  49 -14.496   2.992  21.328
  382    H    ALA  50           H        ALA  50 -11.141   1.531  23.845
  383    HA   ALA  50           HA       ALA  50 -11.487  -1.252  23.774
  384    HB1  ALA  50           3HB      ALA  50  -9.346  -1.331  24.978
  385    HB2  ALA  50           1HB      ALA  50  -9.316  -0.168  23.633
  386    HB3  ALA  50           2HB      ALA  50  -9.452   0.406  25.315
  387    H    GLU  51           H        GLU  51 -12.484  -2.627  25.083
  388    HA   GLU  51           HA       GLU  51 -13.544  -1.849  27.673
  389    HB2  GLU  51           2HB      GLU  51 -13.187  -4.556  26.311
  390    HB3  GLU  51           3HB      GLU  51 -13.990  -4.346  27.867
  391    HG2  GLU  51           2HG      GLU  51 -14.904  -3.029  25.272
  392    HG3  GLU  51           3HG      GLU  51 -15.559  -4.518  25.937
  393    H    TYR  52           H        TYR  52 -10.583  -3.446  26.571
  394    HA   TYR  52           HA       TYR  52  -9.381  -3.328  29.261
  395    HD1  TYR  52           HD1      TYR  52  -9.864  -5.231  31.300
  396    HD2  TYR  52           HD2      TYR  52 -11.926  -6.478  27.720
  397    HE1  TYR  52           HE1      TYR  52 -11.814  -5.901  32.664
  398    HE2  TYR  52           HE2      TYR  52 -13.883  -7.152  29.079
  399    HH   TYR  52           HH       TYR  52 -13.966  -6.800  32.646
  400    HB2  TYR  52           2HB      TYR  52  -9.596  -5.898  27.624
  401    HB3  TYR  52           3HB      TYR  52  -8.662  -5.706  29.096
  402    H    HIS  53           H        HIS  53  -6.991  -3.810  29.075
  403    HA   HIS  53           HA       HIS  53  -5.720  -2.496  26.937
  404    HD2  HIS  53           HD2      HIS  53  -4.785  -4.264  31.196
  405    HE1  HIS  53           HE1      HIS  53  -4.820  -0.017  31.237
  406    HE2  HIS  53           HE2      HIS  53  -4.772  -2.098  32.688
  407    HB2  HIS  53           2HB      HIS  53  -4.528  -4.699  28.671
  408    HB3  HIS  53           3HB      HIS  53  -3.661  -3.411  27.833
  409    H    ALA  54           H        ALA  54  -6.496  -5.943  27.386
  410    HA   ALA  54           HA       ALA  54  -5.142  -6.999  25.134
  411    HB1  ALA  54           3HB      ALA  54  -5.981  -8.369  27.010
  412    HB2  ALA  54           1HB      ALA  54  -7.659  -7.988  26.540
  413    HB3  ALA  54           2HB      ALA  54  -6.621  -8.935  25.455
  414    H    ASP  55           H        ASP  55  -8.114  -5.096  25.282
  415    HA   ASP  55           HA       ASP  55  -9.315  -6.135  22.858
  416    HB2  ASP  55           2HB      ASP  55 -10.406  -4.822  24.801
  417    HB3  ASP  55           3HB      ASP  55  -9.663  -3.386  24.109
  418    H    ILE  56           H        ILE  56  -7.234  -3.361  23.772
  419    HA   ILE  56           HA       ILE  56  -6.902  -2.308  21.139
  420    HB   ILE  56           HB       ILE  56  -4.854  -2.113  23.379
  421   HG12  ILE  56          2HG1      ILE  56  -7.113  -0.124  23.062
  422   HG13  ILE  56          3HG1      ILE  56  -7.206  -1.482  24.195
  423   HG21  ILE  56          1HG2      ILE  56  -4.098  -1.246  21.232
  424   HG22  ILE  56          2HG2      ILE  56  -5.610  -0.358  20.992
  425   HG23  ILE  56          3HG2      ILE  56  -4.467   0.156  22.237
  426   HD11  ILE  56          3HD1      ILE  56  -5.216  -0.742  25.379
  427   HD12  ILE  56          1HD1      ILE  56  -5.071   0.655  24.300
  428   HD13  ILE  56          2HD1      ILE  56  -6.481   0.500  25.363
  429    H    TYR  57           H        TYR  57  -4.860  -4.532  23.147
  430    HA   TYR  57           HA       TYR  57  -2.826  -4.885  21.285
  431    HD1  TYR  57           HD2      TYR  57  -0.923  -6.008  21.172
  432    HD2  TYR  57           HD1      TYR  57  -2.723  -8.782  23.945
  433    HE1  TYR  57           HE2      TYR  57   0.932  -7.585  20.791
  434    HE2  TYR  57           HE1      TYR  57  -0.862 -10.363  23.575
  435    HH   TYR  57           HH       TYR  57   1.163 -10.744  22.459
  436    HB2  TYR  57           2HB      TYR  57  -2.754  -5.616  23.643
  437    HB3  TYR  57           3HB      TYR  57  -3.935  -6.872  23.287
  438    H    ASP  58           H        ASP  58  -5.930  -6.732  21.495
  439    HA   ASP  58           HA       ASP  58  -5.314  -8.556  19.409
  440    HB2  ASP  58           2HB      ASP  58  -7.151  -8.936  20.954
  441    HB3  ASP  58           3HB      ASP  58  -7.984  -7.484  20.387
  442    H    LYS  59           H        LYS  59  -7.028  -5.373  19.305
  443    HA   LYS  59           HA       LYS  59  -7.579  -5.425  16.497
  444    HB2  LYS  59           2HB      LYS  59  -7.377  -3.250  18.594
  445    HB3  LYS  59           3HB      LYS  59  -7.263  -2.771  16.909
  446    HG2  LYS  59           2HG      LYS  59  -9.518  -2.520  17.513
  447    HG3  LYS  59           3HG      LYS  59  -9.416  -3.893  16.407
  448    HD2  LYS  59           2HD      LYS  59  -9.551  -5.446  18.373
  449    HD3  LYS  59           3HD      LYS  59  -9.674  -4.023  19.438
  450    HE2  LYS  59           2HE      LYS  59 -11.740  -3.323  18.345
  451    HE3  LYS  59           3HE      LYS  59 -11.649  -4.696  17.228
  452    HZ1  LYS  59           3HZ      LYS  59 -11.833  -4.954  20.184
  453    HZ2  LYS  59           1HZ      LYS  59 -13.120  -5.076  19.164
  454    HZ3  LYS  59           2HZ      LYS  59 -11.905  -6.181  19.093
  455    H    VAL  60           H        VAL  60  -4.778  -4.092  18.293
  456    HA   VAL  60           HA       VAL  60  -3.501  -3.067  15.959
  457    HB   VAL  60           HB       VAL  60  -2.468  -3.745  18.741
  458   HG11  VAL  60          1HG1      VAL  60  -1.146  -2.008  16.605
  459   HG12  VAL  60          2HG1      VAL  60  -0.576  -2.226  18.271
  460   HG13  VAL  60          3HG1      VAL  60  -0.554  -3.588  17.155
  461   HG21  VAL  60          3HG2      VAL  60  -2.803  -1.409  19.225
  462   HG22  VAL  60          1HG2      VAL  60  -3.169  -1.027  17.522
  463   HG23  VAL  60          2HG2      VAL  60  -4.307  -1.949  18.501
  464    H    SER  61           H        SER  61  -3.077  -6.225  17.733
  465    HA   SER  61           HA       SER  61  -0.977  -7.183  16.095
  466    HG   SER  61           HG       SER  61  -2.197  -7.609  18.971
  467    HB2  SER  61           2HB      SER  61  -3.208  -8.782  17.418
  468    HB3  SER  61           3HB      SER  61  -1.645  -9.407  16.853
  469    H    GLY  62           H        GLY  62  -4.547  -7.376  15.640
  470    HA2  GLY  62           2HA      GLY  62  -4.522  -8.896  13.238
  471    HA3  GLY  62           3HA      GLY  62  -5.781  -7.754  13.758
  472    H    ASP  63           H        ASP  63  -4.385  -5.308  13.783
  473    HA   ASP  63           HA       ASP  63  -4.523  -4.635  11.027
  474    HB2  ASP  63           2HB      ASP  63  -4.952  -3.035  12.883
  475    HB3  ASP  63           3HB      ASP  63  -3.225  -3.022  13.256
  476    H    MET  64           H        MET  64  -1.645  -4.988  13.209
  477    HA   MET  64           HA       MET  64   0.272  -4.345  11.230
  478    HB2  MET  64           2HB      MET  64   0.368  -5.914  13.815
  479    HB3  MET  64           3HB      MET  64   1.734  -5.972  12.709
  480    HG2  MET  64           2HG      MET  64   2.184  -4.232  14.259
  481    HG3  MET  64           3HG      MET  64   1.861  -3.487  12.698
  482    HE1  MET  64           3HE      MET  64   1.254  -1.030  13.447
  483    HE2  MET  64           1HE      MET  64   0.032  -1.680  12.319
  484    HE3  MET  64           2HE      MET  64  -0.474  -0.757  13.754
  485    H    GLN  65           H        GLN  65  -1.278  -7.501  12.002
  486    HA   GLN  65           HA       GLN  65   0.353  -9.021  10.208
  487    HB2  GLN  65           2HB      GLN  65  -2.396  -9.416  11.413
  488    HB3  GLN  65           3HB      GLN  65  -1.650 -10.612  10.341
  489    HG2  GLN  65           2HG      GLN  65   0.225 -10.941  11.816
  490    HG3  GLN  65           3HG      GLN  65  -0.189  -9.550  12.796
  491   HE21  GLN  65          2HE2      GLN  65   0.063 -11.194  14.603
  492   HE22  GLN  65          1HE2      GLN  65  -1.357 -12.138  14.998
  493    H    LYS  66           H        LYS  66  -2.618  -7.079   9.648
  494    HA   LYS  66           HA       LYS  66  -2.786  -7.833   6.865
  495    HB2  LYS  66           2HB      LYS  66  -3.882  -5.385   8.319
  496    HB3  LYS  66           3HB      LYS  66  -4.218  -5.799   6.637
  497    HG2  LYS  66           2HG      LYS  66  -5.251  -7.919   7.313
  498    HG3  LYS  66           3HG      LYS  66  -4.892  -7.575   9.013
  499    HD2  LYS  66           2HD      LYS  66  -6.301  -5.534   8.909
  500    HD3  LYS  66           3HD      LYS  66  -6.682  -5.894   7.206
  501    HE2  LYS  66           2HE      LYS  66  -7.645  -8.080   7.897
  502    HE3  LYS  66           3HE      LYS  66  -7.274  -7.709   9.587
  503    HZ1  LYS  66           3HZ      LYS  66  -8.806  -5.827   9.442
  504    HZ2  LYS  66           1HZ      LYS  66  -9.149  -6.176   7.872
  505    HZ3  LYS  66           2HZ      LYS  66  -9.575  -7.218   9.059
  506    H    GLN  67           H        GLN  67  -0.892  -5.363   8.603
  507    HA   GLN  67           HA       GLN  67  -0.138  -3.930   6.217
  508    HB2  GLN  67           2HB      GLN  67   1.478  -4.147   8.800
  509    HB3  GLN  67           3HB      GLN  67   1.693  -2.972   7.521
  510    HG2  GLN  67           2HG      GLN  67  -0.653  -3.169   9.423
  511    HG3  GLN  67           3HG      GLN  67   0.619  -1.975   9.457
  512   HE21  GLN  67          2HE2      GLN  67  -2.170  -1.381   9.413
  513   HE22  GLN  67          1HE2      GLN  67  -2.508  -0.551   7.904
  514    H    GLY  68           H        GLY  68   1.450  -6.417   8.178
  515    HA2  GLY  68           2HA      GLY  68   2.685  -8.237   6.850
  516    HA3  GLY  68           3HA      GLY  68   3.514  -6.877   6.061
  517    H    CYS  69           H        CYS  69   2.485  -7.378   9.500
  518    HA   CYS  69           HA       CYS  69   5.243  -7.490  10.487
  519    HG   CYS  69           HG       CYS  69   4.936  -5.166   8.940
  520    HB2  CYS  69           2HB      CYS  69   3.180  -5.322  11.118
  521    HB3  CYS  69           3HB      CYS  69   4.566  -5.676  12.162
  522    H    ASP  70           H        ASP  70   4.958  -7.816  13.032
  523    HA   ASP  70           HA       ASP  70   2.311  -8.828  13.809
  524    HB2  ASP  70           2HB      ASP  70   3.549 -10.838  12.958
  525    HB3  ASP  70           3HB      ASP  70   4.801 -10.538  14.170
  526    H    CYS  71           H        CYS  71   2.329  -9.204  16.284
  527    HA   CYS  71           HA       CYS  71   3.921  -6.974  17.470
  528    HG   CYS  71           HG       CYS  71   2.477  -5.039  16.847
  529    HB2  CYS  71           2HB      CYS  71   1.027  -7.821  17.903
  530    HB3  CYS  71           3HB      CYS  71   1.857  -6.570  18.832
  531    H    GLU  72           H        GLU  72   4.212  -6.948  19.716
  532    HA   GLU  72           HA       GLU  72   3.774  -9.351  21.366
  533    HB2  GLU  72           2HB      GLU  72   5.999  -9.693  20.500
  534    HB3  GLU  72           3HB      GLU  72   6.431  -7.998  20.718
  535    HG2  GLU  72           2HG      GLU  72   6.343  -8.256  23.165
  536    HG3  GLU  72           3HG      GLU  72   5.830  -9.936  22.984
  537    H    CYS  73           H        CYS  73   2.540  -8.424  23.013
  538    HA   CYS  73           HA       CYS  73   2.511  -5.597  23.556
  539    HG   CYS  73           HG       CYS  73  -0.014  -6.333  26.549
  540    HB2  CYS  73           2HB      CYS  73   0.630  -7.214  24.091
  541    HB3  CYS  73           3HB      CYS  73   1.641  -7.860  25.407
  542    H    LEU  74           H        LEU  74   3.614  -4.397  25.072
  543    HA   LEU  74           HA       LEU  74   5.702  -5.761  26.727
  544    HG   LEU  74           HG       LEU  74   6.163  -4.214  23.861
  545    HB2  LEU  74           2HB      LEU  74   5.566  -2.880  25.780
  546    HB3  LEU  74           3HB      LEU  74   6.847  -3.599  26.751
  547   HD11  LEU  74          1HD1      LEU  74   7.414  -2.156  24.115
  548   HD12  LEU  74          2HD1      LEU  74   8.550  -2.909  25.254
  549   HD13  LEU  74          3HD1      LEU  74   8.554  -3.382  23.555
  550   HD21  LEU  74          3HD2      LEU  74   6.881  -6.331  24.924
  551   HD22  LEU  74          1HD2      LEU  74   8.102  -5.732  23.826
  552   HD23  LEU  74          2HD2      LEU  74   8.323  -5.522  25.580
  553    H    GLY  75           H        GLY  75   2.688  -4.160  26.851
  554    HA2  GLY  75           2HA      GLY  75   1.971  -4.799  29.295
  555    HA3  GLY  75           3HA      GLY  75   2.977  -3.422  29.709
  556    H    GLY  76           H        GLY  76   0.501  -3.147  30.522
  557    HA2  GLY  76           2HA      GLY  76  -0.903  -1.380  28.554
  558    HA3  GLY  76           3HA      GLY  76  -1.782  -2.521  29.560
  559    H    GLY  77           H        GLY  77  -2.239   0.271  29.596
  560    HA2  GLY  77           2HA      GLY  77  -2.018   0.993  32.371
  561    HA3  GLY  77           3HA      GLY  77  -0.842   1.864  31.366
  562    H    ARG  78           H        ARG  78  -2.140   3.846  31.896
  563    HA   ARG  78           HA       ARG  78  -4.174   4.272  29.827
  564    HE   ARG  78           HE       ARG  78  -6.885   3.087  33.086
  565    HB2  ARG  78           2HB      ARG  78  -5.832   5.248  31.337
  566    HB3  ARG  78           3HB      ARG  78  -5.585   3.532  31.642
  567    HG2  ARG  78           2HG      ARG  78  -4.201   4.084  33.638
  568    HG3  ARG  78           3HG      ARG  78  -4.400   5.810  33.300
  569    HD2  ARG  78           2HD      ARG  78  -5.930   5.118  35.041
  570    HD3  ARG  78           3HD      ARG  78  -6.851   5.593  33.609
  571   HH11  ARG  78          1HH2      ARG  78  -7.058   4.342  36.404
  572   HH12  ARG  78          2HH2      ARG  78  -7.687   2.858  37.082
  573   HH21  ARG  78          1HH1      ARG  78  -7.734   1.151  33.977
  574   HH22  ARG  78          2HH1      ARG  78  -8.061   1.030  35.680
  575    H    ILE  79           H        ILE  79  -4.758   6.562  29.645
  576    HA   ILE  79           HA       ILE  79  -2.553   8.386  30.452
  577    HB   ILE  79           HB       ILE  79  -3.833   8.110  27.702
  578   HG12  ILE  79          2HG1      ILE  79  -1.086   7.322  28.717
  579   HG13  ILE  79          3HG1      ILE  79  -2.322   6.288  28.024
  580   HG21  ILE  79          1HG2      ILE  79  -2.195   9.842  26.969
  581   HG22  ILE  79          2HG2      ILE  79  -3.291  10.462  28.176
  582   HG23  ILE  79          3HG2      ILE  79  -1.640  10.002  28.652
  583   HD11  ILE  79          3HD1      ILE  79  -0.622   8.300  26.523
  584   HD12  ILE  79          1HD1      ILE  79  -0.555   6.540  26.435
  585   HD13  ILE  79          2HD1      ILE  79  -1.982   7.392  25.811
  586    H    SER  80           H        SER  80  -3.308  10.589  30.648
  587    HA   SER  80           HA       SER  80  -6.204  11.089  30.382
  588    HG   SER  80           HG       SER  80  -3.711  10.816  32.887
  589    HB2  SER  80           2HB      SER  80  -6.249  12.102  32.663
  590    HB3  SER  80           3HB      SER  80  -5.982  10.354  32.685
  591    H    HIS  81           H        HIS  81  -6.690  13.306  30.115
  592    HA   HIS  81           HA       HIS  81  -4.718  15.392  30.358
  593    HD1  HIS  81           HD1      HIS  81  -5.207  12.470  27.011
  594    HD2  HIS  81           HD2      HIS  81  -7.372  16.062  26.815
  595    HE1  HIS  81           HE1      HIS  81  -7.110  12.067  25.368
  596    HB2  HIS  81           2HB      HIS  81  -4.870  16.125  27.993
  597    HB3  HIS  81           3HB      HIS  81  -4.043  14.587  28.163
  598    H    GLN  82           H        GLN  82  -5.860  17.516  29.834
  599    HA   GLN  82           HA       GLN  82  -8.712  17.557  29.370
  600    HB2  GLN  82           2HB      GLN  82  -7.539  18.644  31.980
  601    HB3  GLN  82           3HB      GLN  82  -9.090  19.130  31.336
  602    HG2  GLN  82           2HG      GLN  82  -8.432  16.285  32.197
  603    HG3  GLN  82           3HG      GLN  82  -9.228  17.490  33.184
  604   HE21  GLN  82          2HE2      GLN  82  -9.621  15.398  30.356
  605   HE22  GLN  82          1HE2      GLN  82 -11.374  15.586  30.237
  606    H    SER  83           H        SER  83  -9.322  19.845  28.910
  607    HA   SER  83           HA       SER  83  -7.486  21.017  27.184
  608    HG   SER  83           HG       SER  83 -11.043  21.311  26.730
  609    HB2  SER  83           2HB      SER  83  -9.914  22.338  28.452
  610    HB3  SER  83           3HB      SER  83  -9.210  22.678  26.859
  611    H    GLN  84           H        GLN  84  -7.919  21.684  30.645
  612    HA   GLN  84           HA       GLN  84  -5.809  23.729  30.587
  613    HB2  GLN  84           2HB      GLN  84  -8.600  24.187  31.758
  614    HB3  GLN  84           3HB      GLN  84  -7.199  25.220  32.046
  615    HG2  GLN  84           2HG      GLN  84  -7.078  25.698  29.588
  616    HG3  GLN  84           3HG      GLN  84  -8.578  24.791  29.367
  617   HE21  GLN  84          2HE2      GLN  84  -7.276  27.887  30.119
  618   HE22  GLN  84          1HE2      GLN  84  -8.768  28.642  30.623
  619    H    ASP  85           H        ASP  85  -5.079  24.183  32.798
  620    HA   ASP  85           HA       ASP  85  -4.149  23.519  34.719
  621    HB2  ASP  85           2HB      ASP  85  -6.349  24.420  35.373
  622    HB3  ASP  85           3HB      ASP  85  -7.012  22.786  35.383
  623    H    LYS  86           H        LYS  86  -3.811  21.542  32.759
  624    HA   LYS  86           HA       LYS  86  -3.267  19.155  34.316
  625    HB2  LYS  86           2HB      LYS  86  -5.681  18.910  33.723
  626    HB3  LYS  86           3HB      LYS  86  -5.291  19.199  32.034
  627    HG2  LYS  86           2HG      LYS  86  -5.800  16.885  32.450
  628    HG3  LYS  86           3HG      LYS  86  -4.153  17.057  31.873
  629    HD2  LYS  86           2HD      LYS  86  -3.345  16.683  34.232
  630    HD3  LYS  86           3HD      LYS  86  -5.041  16.554  34.753
  631    HE2  LYS  86           2HE      LYS  86  -5.336  14.679  33.070
  632    HE3  LYS  86           3HE      LYS  86  -3.604  14.753  32.731
  633    HZ1  LYS  86           3HZ      LYS  86  -4.131  13.017  34.291
  634    HZ2  LYS  86           1HZ      LYS  86  -3.215  14.144  35.060
  635    HZ3  LYS  86           2HZ      LYS  86  -4.827  14.065  35.345
  636    H    LYS  87           H        LYS  87  -2.097  17.601  32.856
  637    HA   LYS  87           HA       LYS  87  -1.098  18.555  30.291
  638    HB2  LYS  87           2HB      LYS  87   1.236  17.644  31.013
  639    HB3  LYS  87           3HB      LYS  87   0.782  19.290  31.392
  640    HG2  LYS  87           2HG      LYS  87   2.004  18.265  33.216
  641    HG3  LYS  87           3HG      LYS  87   0.396  18.766  33.719
  642    HD2  LYS  87           2HD      LYS  87  -0.380  16.408  33.605
  643    HD3  LYS  87           3HD      LYS  87   1.224  15.891  33.090
  644    HE2  LYS  87           2HE      LYS  87   0.586  17.337  35.713
  645    HE3  LYS  87           3HE      LYS  87   0.644  15.579  35.549
  646    HZ1  LYS  87           3HZ      LYS  87   2.722  16.456  36.394
  647    HZ2  LYS  87           1HZ      LYS  87   2.957  15.729  34.943
  648    HZ3  LYS  87           2HZ      LYS  87   2.944  17.377  35.056
  649    H    ILE  88           H        ILE  88  -0.068  16.567  29.141
  650    HA   ILE  88           HA       ILE  88  -1.745  14.268  29.556
  651    HB   ILE  88           HB       ILE  88   0.896  14.467  28.063
  652   HG12  ILE  88          2HG1      ILE  88  -2.003  14.453  27.078
  653   HG13  ILE  88          3HG1      ILE  88  -0.978  15.876  27.165
  654   HG21  ILE  88          1HG2      ILE  88   0.235  12.303  27.023
  655   HG22  ILE  88          2HG2      ILE  88   0.362  12.101  28.757
  656   HG23  ILE  88          3HG2      ILE  88  -1.239  12.276  28.008
  657   HD11  ILE  88          3HD1      ILE  88   0.611  14.750  25.541
  658   HD12  ILE  88          1HD1      ILE  88  -0.620  13.480  25.326
  659   HD13  ILE  88          2HD1      ILE  88  -0.995  15.148  24.892
  660    H    HIS  89           H        HIS  89  -1.579  12.647  31.005
  661    HA   HIS  89           HA       HIS  89   1.017  12.132  32.313
  662    HD1  HIS  89           HD1      HIS  89   2.116  12.899  34.852
  663    HD2  HIS  89           HD2      HIS  89  -1.198  10.419  35.625
  664    HE1  HIS  89           HE1      HIS  89   2.778  11.377  36.802
  665    HB2  HIS  89           2HB      HIS  89  -0.374  13.625  33.791
  666    HB3  HIS  89           3HB      HIS  89  -1.596  12.347  33.844
  667    H    VAL  90           H        VAL  90   1.272   9.950  32.910
  668    HA   VAL  90           HA       VAL  90  -0.692   8.054  31.721
  669    HB   VAL  90           HB       VAL  90   2.354   8.030  31.545
  670   HG11  VAL  90          1HG1      VAL  90   2.011   6.235  29.884
  671   HG12  VAL  90          2HG1      VAL  90   1.350   5.786  31.464
  672   HG13  VAL  90          3HG1      VAL  90   0.258   6.309  30.175
  673   HG21  VAL  90          3HG2      VAL  90   1.948   8.467  29.072
  674   HG22  VAL  90          1HG2      VAL  90   0.284   8.913  29.497
  675   HG23  VAL  90          2HG2      VAL  90   1.650   9.841  30.137
  676    H    TYR  91           H        TYR  91  -1.161   6.268  33.030
  677    HA   TYR  91           HA       TYR  91   0.515   5.540  35.285
  678    HD1  TYR  91           HD1      TYR  91  -2.364   8.365  34.297
  679    HD2  TYR  91           HD2      TYR  91  -3.146   5.804  37.684
  680    HE1  TYR  91           HE1      TYR  91  -4.762   8.939  34.177
  681    HE2  TYR  91           HE2      TYR  91  -5.543   6.397  37.583
  682    HH   TYR  91           HH       TYR  91  -6.880   8.636  35.128
  683    HB2  TYR  91           2HB      TYR  91  -0.922   6.219  37.057
  684    HB3  TYR  91           3HB      TYR  91  -0.550   7.634  36.119
  685    H    GLY  92           H        GLY  92  -1.458   4.186  36.822
  686    HA2  GLY  92           2HA      GLY  92  -2.759   2.299  36.816
  687    HA3  GLY  92           3HA      GLY  92  -3.019   2.450  35.074
  688    H    TYR  93           H        TYR  93  -2.644   0.012  35.345
  689    HA   TYR  93           HA       TYR  93  -0.186  -0.544  34.090
  690    HD1  TYR  93           HD2      TYR  93  -0.919  -0.260  38.213
  691    HD2  TYR  93           HD1      TYR  93  -0.294  -4.172  36.508
  692    HE1  TYR  93           HE2      TYR  93  -1.907  -1.293  40.229
  693    HE2  TYR  93           HE1      TYR  93  -1.293  -5.212  38.508
  694    HH   TYR  93           HH       TYR  93  -2.262  -4.840  40.602
  695    HB2  TYR  93           2HB      TYR  93   0.750  -2.231  35.536
  696    HB3  TYR  93           3HB      TYR  93   0.733  -0.698  36.353
  697    H    SER  94           H        SER  94  -0.272  -3.319  34.052
  698    HA   SER  94           HA       SER  94  -3.098  -4.149  33.754
  699    HG   SER  94           HG       SER  94  -2.602  -5.653  30.609
  700    HB2  SER  94           2HB      SER  94  -2.266  -3.581  31.498
  701    HB3  SER  94           3HB      SER  94  -0.862  -4.629  31.739
  702    H    MET  95           H        MET  95  -3.408  -6.109  34.705
  703    HA   MET  95           HA       MET  95  -1.155  -7.594  35.856
  704    HB2  MET  95           2HB      MET  95  -4.149  -8.154  35.704
  705    HB3  MET  95           3HB      MET  95  -2.976  -9.200  36.517
  706    HG2  MET  95           2HG      MET  95  -2.291  -7.298  37.959
  707    HG3  MET  95           3HG      MET  95  -3.561  -6.303  37.247
  708    HE1  MET  95           3HE      MET  95  -6.094  -8.185  37.019
  709    HE2  MET  95           1HE      MET  95  -6.844  -7.928  38.607
  710    HE3  MET  95           2HE      MET  95  -6.124  -6.557  37.738
  711    H    ALA  96           H        ALA  96  -2.739  -7.494  32.748
  712    HA   ALA  96           HA       ALA  96  -2.581 -10.301  32.148
  713    HB1  ALA  96           3HB      ALA  96  -3.110  -9.616  29.863
  714    HB2  ALA  96           1HB      ALA  96  -4.142  -8.739  31.010
  715    HB3  ALA  96           2HB      ALA  96  -2.752  -7.928  30.246
  716    H    TYR  97           H        TYR  97  -0.217  -7.706  32.028
  717    HA   TYR  97           HA       TYR  97   1.822  -9.599  31.067
  718    HD1  TYR  97           HD1      TYR  97  -0.088  -5.875  29.580
  719    HD2  TYR  97           HD2      TYR  97   0.649  -9.744  27.824
  720    HE1  TYR  97           HE1      TYR  97  -2.081  -5.591  28.147
  721    HE2  TYR  97           HE2      TYR  97  -1.367  -9.478  26.397
  722    HH   TYR  97           HH       TYR  97  -3.418  -6.546  26.520
  723    HB2  TYR  97           2HB      TYR  97   2.135  -6.993  29.724
  724    HB3  TYR  97           3HB      TYR  97   2.386  -8.603  29.127
  725    H    GLY  98           H        GLY  98   1.152  -6.178  32.000
  726    HA2  GLY  98           2HA      GLY  98   2.491  -5.852  34.311
  727    HA3  GLY  98           3HA      GLY  98   3.791  -5.761  33.099
  728    HA   PRO  99           HA       PRO  99   1.643  -1.544  33.212
  729    HB2  PRO  99           2HB      PRO  99   3.886  -0.078  33.864
  730    HB3  PRO  99           3HB      PRO  99   2.732  -0.712  35.070
  731    HG2  PRO  99           2HG      PRO  99   5.368  -1.914  34.194
  732    HG3  PRO  99           3HG      PRO  99   4.744  -1.708  35.861
  733    HD2  PRO  99           2HD      PRO  99   4.565  -4.076  34.524
  734    HD3  PRO  99           3HD      PRO  99   3.266  -3.534  35.629
  735    H    ALA 100           H        ALA 100   1.944  -0.117  31.456
  736    HA   ALA 100           HA       ALA 100   3.246  -1.223  29.133
  737    HB1  ALA 100           3HB      ALA 100   1.863   1.421  29.651
  738    HB2  ALA 100           1HB      ALA 100   2.251   0.771  28.041
  739    HB3  ALA 100           2HB      ALA 100   1.074  -0.052  29.063
  740    H    GLN 101           H        GLN 101   5.131  -0.567  31.143
  741    HA   GLN 101           HA       GLN 101   6.974   0.779  31.740
  742    HB2  GLN 101           2HB      GLN 101   7.131  -0.338  28.951
  743    HB3  GLN 101           3HB      GLN 101   8.556   0.460  29.665
  744    HG2  GLN 101           2HG      GLN 101   8.615  -1.121  31.479
  745    HG3  GLN 101           3HG      GLN 101   7.058  -1.824  31.023
  746   HE21  GLN 101          2HE2      GLN 101   6.979  -3.465  29.391
  747   HE22  GLN 101          1HE2      GLN 101   8.445  -4.060  28.650
  748    H    HIS 102           H        HIS 102   5.200   2.529  31.682
  749    HA   HIS 102           HA       HIS 102   4.581   4.266  29.821
  750    HD1  HIS 102           HD1      HIS 102   3.744   3.928  34.510
  751    HD2  HIS 102           HD2      HIS 102   2.268   3.341  30.636
  752    HE1  HIS 102           HE1      HIS 102   2.104   2.002  34.653
  753    HB2  HIS 102           2HB      HIS 102   5.126   5.162  32.655
  754    HB3  HIS 102           3HB      HIS 102   3.927   5.810  31.534
  755    H    ALA 103           H        ALA 103   7.728   4.585  31.514
  756    HA   ALA 103           HA       ALA 103   8.397   7.164  30.668
  757    HB1  ALA 103           3HB      ALA 103  10.246   4.756  30.951
  758    HB2  ALA 103           1HB      ALA 103  10.726   6.465  30.971
  759    HB3  ALA 103           2HB      ALA 103   9.718   5.815  32.279
  760    H    ILE 104           H        ILE 104   8.522   4.106  28.815
  761    HA   ILE 104           HA       ILE 104  10.083   5.114  26.607
  762    HB   ILE 104           HB       ILE 104   8.067   2.816  26.742
  763   HG12  ILE 104          2HG1      ILE 104  11.094   2.833  27.141
  764   HG13  ILE 104          3HG1      ILE 104   9.880   2.518  28.381
  765   HG21  ILE 104          1HG2      ILE 104   8.517   3.559  24.406
  766   HG22  ILE 104          2HG2      ILE 104  10.258   3.330  24.676
  767   HG23  ILE 104          3HG2      ILE 104   9.140   1.950  24.704
  768   HD11  ILE 104          3HD1      ILE 104  10.509   0.715  26.026
  769   HD12  ILE 104          1HD1      ILE 104  10.855   0.439  27.738
  770   HD13  ILE 104          2HD1      ILE 104   9.174   0.466  27.184
  771    H    SER 105           H        SER 105   6.545   4.600  27.143
  772    HA   SER 105           HA       SER 105   5.707   5.778  24.757
  773    HG   SER 105           HG       SER 105   4.533   3.652  25.458
  774    HB2  SER 105           2HB      SER 105   4.193   5.723  27.394
  775    HB3  SER 105           3HB      SER 105   3.510   5.712  25.758
  776    H    THR 106           H        THR 106   6.266   7.391  27.998
  777    HA   THR 106           HA       THR 106   5.029   9.789  27.116
  778    HB   THR 106           HB       THR 106   6.285  10.856  29.029
  779    HG1  THR 106           1HG      THR 106   8.073   9.498  29.214
  780   HG21  THR 106          3HG2      THR 106   4.830   8.301  29.813
  781   HG22  THR 106          1HG2      THR 106   4.925   9.849  30.681
  782   HG23  THR 106          2HG2      THR 106   4.008   9.729  29.177
  783    H    GLU 107           H        GLU 107   8.470   8.686  26.853
  784    HA   GLU 107           HA       GLU 107   9.384  11.192  25.839
  785    HB2  GLU 107           2HB      GLU 107  10.393   8.349  25.458
  786    HB3  GLU 107           3HB      GLU 107  11.198   9.776  24.783
  787    HG2  GLU 107           2HG      GLU 107  11.404  10.753  27.060
  788    HG3  GLU 107           3HG      GLU 107  10.711   9.292  27.752
  789    H    LYS 108           H        LYS 108   7.967   8.330  24.254
  790    HA   LYS 108           HA       LYS 108   8.329   9.232  21.549
  791    HB2  LYS 108           2HB      LYS 108   6.444   7.285  22.919
  792    HB3  LYS 108           3HB      LYS 108   6.318   7.629  21.185
  793    HG2  LYS 108           2HG      LYS 108   8.674   6.948  20.873
  794    HG3  LYS 108           3HG      LYS 108   8.816   6.580  22.598
  795    HD2  LYS 108           2HD      LYS 108   7.107   4.847  22.436
  796    HD3  LYS 108           3HD      LYS 108   6.786   5.247  20.741
  797    HE2  LYS 108           2HE      LYS 108   9.458   4.220  21.800
  798    HE3  LYS 108           3HE      LYS 108   8.201   3.212  21.064
  799    HZ1  LYS 108           3HZ      LYS 108   9.635   5.399  19.688
  800    HZ2  LYS 108           1HZ      LYS 108   9.779   3.782  19.405
  801    HZ3  LYS 108           2HZ      LYS 108   8.385   4.566  19.042
  802    H    ILE 109           H        ILE 109   5.505   9.558  23.777
  803    HA   ILE 109           HA       ILE 109   3.925  11.154  22.024
  804    HB   ILE 109           HB       ILE 109   4.073  11.063  25.061
  805   HG12  ILE 109          2HG1      ILE 109   1.967   9.780  23.263
  806   HG13  ILE 109          3HG1      ILE 109   3.399   8.910  23.758
  807   HG21  ILE 109          1HG2      ILE 109   2.938  13.170  24.237
  808   HG22  ILE 109          2HG2      ILE 109   1.796  12.156  23.342
  809   HG23  ILE 109          3HG2      ILE 109   1.852  12.110  25.114
  810   HD11  ILE 109          3HD1      ILE 109   1.604   8.316  25.246
  811   HD12  ILE 109          1HD1      ILE 109   2.784   9.268  26.163
  812   HD13  ILE 109          2HD1      ILE 109   1.257  10.006  25.623
  813    H    LYS 110           H        LYS 110   6.438  12.082  24.459
  814    HA   LYS 110           HA       LYS 110   6.104  14.866  24.142
  815    HB2  LYS 110           2HB      LYS 110   7.251  13.594  25.978
  816    HB3  LYS 110           3HB      LYS 110   8.668  13.400  24.940
  817    HG2  LYS 110           2HG      LYS 110   8.996  15.809  24.863
  818    HG3  LYS 110           3HG      LYS 110   7.435  16.105  25.636
  819    HD2  LYS 110           2HD      LYS 110   9.895  14.876  26.948
  820    HD3  LYS 110           3HD      LYS 110   9.192  16.478  27.245
  821    HE2  LYS 110           2HE      LYS 110   7.028  15.195  27.907
  822    HE3  LYS 110           3HE      LYS 110   8.047  13.750  27.964
  823    HZ1  LYS 110           3HZ      LYS 110   7.863  14.671  30.116
  824    HZ2  LYS 110           1HZ      LYS 110   9.412  15.023  29.644
  825    HZ3  LYS 110           2HZ      LYS 110   8.196  16.170  29.650
  826    H    ALA 111           H        ALA 111   8.222  12.597  22.343
  827    HA   ALA 111           HA       ALA 111   9.510  14.533  20.738
  828    HB1  ALA 111           3HB      ALA 111   9.972  12.672  19.210
  829    HB2  ALA 111           1HB      ALA 111  10.212  12.162  20.892
  830    HB3  ALA 111           2HB      ALA 111   8.748  11.671  20.009
  831    H    LYS 112           H        LYS 112   6.262  13.046  20.406
  832    HA   LYS 112           HA       LYS 112   5.753  14.433  17.864
  833    HB2  LYS 112           2HB      LYS 112   3.912  12.909  19.763
  834    HB3  LYS 112           3HB      LYS 112   3.422  13.551  18.204
  835    HG2  LYS 112           2HG      LYS 112   5.469  11.351  18.713
  836    HG3  LYS 112           3HG      LYS 112   3.852  11.161  18.058
  837    HD2  LYS 112           2HD      LYS 112   6.196  12.549  16.693
  838    HD3  LYS 112           3HD      LYS 112   5.535  10.957  16.316
  839    HE2  LYS 112           2HE      LYS 112   3.356  11.996  15.700
  840    HE3  LYS 112           3HE      LYS 112   4.023  13.598  16.042
  841    HZ1  LYS 112           3HZ      LYS 112   5.638  13.233  14.272
  842    HZ2  LYS 112           1HZ      LYS 112   5.017  11.747  13.950
  843    HZ3  LYS 112           2HZ      LYS 112   4.115  13.091  13.690
  844    H    TYR 113           H        TYR 113   5.502  15.227  21.211
  845    HA   TYR 113           HA       TYR 113   4.422  16.737  22.419
  846    HD1  TYR 113           HD1      TYR 113   7.641  17.326  20.034
  847    HD2  TYR 113           HD2      TYR 113   4.401  20.138  19.623
  848    HE1  TYR 113           HE1      TYR 113   8.514  17.988  17.823
  849    HE2  TYR 113           HE2      TYR 113   5.269  20.818  17.406
  850    HH   TYR 113           HH       TYR 113   8.211  19.368  15.964
  851    HB2  TYR 113           2HB      TYR 113   4.955  19.095  21.824
  852    HB3  TYR 113           3HB      TYR 113   6.288  17.987  21.958
  853    HA   PRO 114           HA       PRO 114   0.407  17.295  20.159
  854    HB2  PRO 114           2HB      PRO 114  -1.125  15.479  21.489
  855    HB3  PRO 114           3HB      PRO 114  -0.137  15.038  20.062
  856    HG2  PRO 114           2HG      PRO 114   0.557  14.684  22.989
  857    HG3  PRO 114           3HG      PRO 114   0.699  13.489  21.661
  858    HD2  PRO 114           2HD      PRO 114   2.804  15.027  22.549
  859    HD3  PRO 114           3HD      PRO 114   2.642  14.494  20.849
  860    H    ASP 115           H        ASP 115   1.826  17.353  23.315
  861    HA   ASP 115           HA       ASP 115   0.147  19.583  24.124
  862    HB2  ASP 115           2HB      ASP 115  -0.951  17.629  25.221
  863    HB3  ASP 115           3HB      ASP 115   0.613  17.167  25.913
  864    H    TYR 116           H        TYR 116   1.292  20.691  25.964
  865    HA   TYR 116           HA       TYR 116   4.002  21.117  25.145
  866    HD1  TYR 116           HD1      TYR 116   4.053  23.799  24.556
  867    HD2  TYR 116           HD2      TYR 116   0.366  22.896  26.610
  868    HE1  TYR 116           HE1      TYR 116   2.831  25.277  22.997
  869    HE2  TYR 116           HE2      TYR 116  -0.864  24.379  25.058
  870    HH   TYR 116           HH       TYR 116   0.755  26.165  22.405
  871    HB2  TYR 116           2HB      TYR 116   2.472  22.187  27.549
  872    HB3  TYR 116           3HB      TYR 116   3.983  22.833  26.927
  873    H    GLU 117           H        GLU 117   2.716  18.906  27.542
  874    HA   GLU 117           HA       GLU 117   5.420  18.263  28.416
  875    HB2  GLU 117           2HB      GLU 117   4.677  20.076  29.981
  876    HB3  GLU 117           3HB      GLU 117   3.245  19.132  30.383
  877    HG2  GLU 117           2HG      GLU 117   4.936  18.971  32.133
  878    HG3  GLU 117           3HG      GLU 117   4.646  17.396  31.422
  879    H    VAL 118           H        VAL 118   5.474  16.175  29.460
  880    HA   VAL 118           HA       VAL 118   3.022  14.557  29.480
  881    HB   VAL 118           HB       VAL 118   5.487  13.477  28.086
  882   HG11  VAL 118          1HG1      VAL 118   3.957  11.793  27.241
  883   HG12  VAL 118          2HG1      VAL 118   3.702  11.932  28.990
  884   HG13  VAL 118          3HG1      VAL 118   2.558  12.673  27.868
  885   HG21  VAL 118          3HG2      VAL 118   4.831  15.341  26.633
  886   HG22  VAL 118          1HG2      VAL 118   4.444  13.792  25.889
  887   HG23  VAL 118          2HG2      VAL 118   3.149  14.766  26.625
  888    H    THR 119           H        THR 119   3.160  13.109  31.250
  889    HA   THR 119           HA       THR 119   5.792  12.550  32.476
  890    HB   THR 119           HB       THR 119   4.729  13.116  34.750
  891    HG1  THR 119           1HG      THR 119   2.959  14.407  32.960
  892   HG21  THR 119          3HG2      THR 119   5.429  15.409  34.726
  893   HG22  THR 119          1HG2      THR 119   6.522  14.483  33.691
  894   HG23  THR 119          2HG2      THR 119   5.273  15.511  32.956
  895    H    TRP 120           H        TRP 120   5.436  10.880  34.373
  896    HA   TRP 120           HA       TRP 120   3.060   9.245  33.912
  897    HD1  TRP 120           HD1      TRP 120   7.024   9.490  32.094
  898    HE1  TRP 120           HE1      TRP 120   9.337   8.798  32.911
  899    HE3  TRP 120           HE3      TRP 120   5.636   5.874  35.431
  900    HZ2  TRP 120           HZ2      TRP 120  10.461   6.943  34.842
  901    HZ3  TRP 120           HZ3      TRP 120   7.348   4.648  36.738
  902    HH2  TRP 120           HH2      TRP 120   9.761   5.179  36.459
  903    HB2  TRP 120           2HB      TRP 120   4.352   7.201  33.587
  904    HB3  TRP 120           3HB      TRP 120   4.597   8.328  32.283
  905    H    ALA 121           H        ALA 121   2.917   7.440  35.375
  906    HA   ALA 121           HA       ALA 121   4.487   7.389  37.842
  907    HB1  ALA 121           3HB      ALA 121   1.438   7.665  37.799
  908    HB2  ALA 121           1HB      ALA 121   2.443   7.399  39.241
  909    HB3  ALA 121           2HB      ALA 121   2.573   8.920  38.342
  910    H    ASN 122           H        ASN 122   3.281   5.326  39.106
  911    HA   ASN 122           HA       ASN 122   2.645   3.207  37.146
  912    HB2  ASN 122           2HB      ASN 122   5.132   3.273  37.267
  913    HB3  ASN 122           3HB      ASN 122   5.038   3.063  39.020
  914   HD21  ASN 122          2HD2      ASN 122   6.092   0.998  39.056
  915   HD22  ASN 122          1HD2      ASN 122   5.373  -0.422  38.348
  916    H    ASP 123           H        ASP 123   0.731   4.146  38.625
  917    HA   ASP 123           HA       ASP 123   0.163   2.110  40.611
  918    HB2  ASP 123           2HB      ASP 123   1.283   3.839  41.985
  919    HB3  ASP 123           3HB      ASP 123   0.221   5.079  41.317
  920    H    GLY 124           H        GLY 124  -2.142   2.187  41.174
  921    HA2  GLY 124           2HA      GLY 124  -4.376   2.915  40.838
  922    HA3  GLY 124           3HA      GLY 124  -3.929   3.684  39.313
  923    H    TYR 125           H        TYR 125  -6.134   1.945  39.473
  924    HA   TYR 125           HA       TYR 125  -5.480   0.211  37.317
  925    HD1  TYR 125           HD2      TYR 125  -3.687  -1.909  37.749
  926    HD2  TYR 125           HD1      TYR 125  -7.891  -2.827  37.883
  927    HE1  TYR 125           HE2      TYR 125  -3.326  -3.744  36.136
  928    HE2  TYR 125           HE1      TYR 125  -7.554  -4.642  36.231
  929    HH   TYR 125           HH       TYR 125  -6.015  -5.757  34.880
  930    HB2  TYR 125           2HB      TYR 125  -5.150  -1.151  39.624
  931    HB3  TYR 125           3HB      TYR 125  -6.899  -1.277  39.519
  Start of MODEL   13
    1    HA   MET   1           HA       MET   1  -1.896  -7.819   1.061
    2    H1   MET   1           H1       MET   1  -3.195  -9.280  -0.313
    3    H2   MET   1           H2       MET   1  -2.130  -9.109  -1.560
    4    H3   MET   1           H3       MET   1  -2.992  -7.819  -1.041
    5    HB2  MET   1           2HB      MET   1  -1.487 -10.322   1.044
    6    HB3  MET   1           3HB      MET   1  -0.142 -10.045  -0.069
    7    HG2  MET   1           2HG      MET   1   0.631 -10.265   2.246
    8    HG3  MET   1           3HG      MET   1   0.982  -8.656   1.627
    9    HE1  MET   1           3HE      MET   1   1.353  -9.133   4.554
   10    HE2  MET   1           1HE      MET   1   1.333  -7.436   4.019
   11    HE3  MET   1           2HE      MET   1   0.373  -7.937   5.425
   12    H    ALA   2           H        ALA   2   0.004  -6.463   1.339
   13    HA   ALA   2           HA       ALA   2   1.625  -5.833  -1.031
   14    HB1  ALA   2           3HB      ALA   2   1.150  -3.415  -0.803
   15    HB2  ALA   2           1HB      ALA   2  -0.332  -4.300  -1.195
   16    HB3  ALA   2           2HB      ALA   2  -0.037  -3.752   0.472
   17    H    VAL   3           H        VAL   3   3.358  -4.180  -0.303
   18    HA   VAL   3           HA       VAL   3   4.576  -5.065   2.155
   19    HB   VAL   3           HB       VAL   3   6.327  -3.396   1.476
   20   HG11  VAL   3          1HG1      VAL   3   6.470  -5.766   0.846
   21   HG12  VAL   3          2HG1      VAL   3   5.569  -5.437  -0.656
   22   HG13  VAL   3          3HG1      VAL   3   7.171  -4.714  -0.396
   23   HG21  VAL   3          3HG2      VAL   3   4.887  -1.828   0.162
   24   HG22  VAL   3          1HG2      VAL   3   6.312  -2.384  -0.722
   25   HG23  VAL   3          2HG2      VAL   3   4.723  -3.066  -1.103
   26    H    ALA   4           H        ALA   4   5.457  -3.420   3.669
   27    HA   ALA   4           HA       ALA   4   4.200  -0.872   4.023
   28    HB1  ALA   4           3HB      ALA   4   3.878  -3.015   6.185
   29    HB2  ALA   4           1HB      ALA   4   3.439  -1.300   6.339
   30    HB3  ALA   4           2HB      ALA   4   2.546  -2.337   5.215
   31    H    ASP   5           H        ASP   5   5.344  -0.066   6.326
   32    HA   ASP   5           HA       ASP   5   7.892  -1.378   6.826
   33    HB2  ASP   5           2HB      ASP   5   8.392   0.081   4.839
   34    HB3  ASP   5           3HB      ASP   5   7.844   1.480   5.763
   35    H    LEU   6           H        LEU   6   8.817  -0.568   8.833
   36    HA   LEU   6           HA       LEU   6   6.889   0.187  10.777
   37    HG   LEU   6           HG       LEU   6   9.092  -2.036  10.526
   38    HB2  LEU   6           2HB      LEU   6   9.930   0.284  10.857
   39    HB3  LEU   6           3HB      LEU   6   8.877   0.451  12.256
   40   HD11  LEU   6          1HD1      LEU   6  10.121  -1.425  13.328
   41   HD12  LEU   6          2HD1      LEU   6  10.180  -3.000  12.507
   42   HD13  LEU   6          3HD1      LEU   6  11.102  -1.636  11.860
   43   HD21  LEU   6          3HD2      LEU   6   7.503  -1.544  13.092
   44   HD22  LEU   6          1HD2      LEU   6   6.849  -1.949  11.488
   45   HD23  LEU   6          2HD2      LEU   6   7.797  -3.137  12.368
   46    H    ALA   7           H        ALA   7   8.930   2.212   8.700
   47    HA   ALA   7           HA       ALA   7   8.657   4.598  10.280
   48    HB1  ALA   7           3HB      ALA   7  10.361   4.316   8.499
   49    HB2  ALA   7           1HB      ALA   7   9.065   4.251   7.278
   50    HB3  ALA   7           2HB      ALA   7   9.338   5.739   8.207
   51    H    LEU   8           H        LEU   8   6.559   2.944   7.936
   52    HA   LEU   8           HA       LEU   8   4.815   5.267   7.504
   53    HG   LEU   8           HG       LEU   8   6.303   3.284   5.511
   54    HB2  LEU   8           2HB      LEU   8   4.412   2.317   6.828
   55    HB3  LEU   8           3HB      LEU   8   3.380   3.639   6.307
   56   HD11  LEU   8          1HD1      LEU   8   5.406   2.714   3.296
   57   HD12  LEU   8          2HD1      LEU   8   4.819   1.584   4.521
   58   HD13  LEU   8          3HD1      LEU   8   3.744   2.860   3.910
   59   HD21  LEU   8          3HD2      LEU   8   5.726   5.662   5.495
   60   HD22  LEU   8          1HD2      LEU   8   5.826   5.065   3.838
   61   HD23  LEU   8          2HD2      LEU   8   4.233   5.327   4.586
   62    H    ILE   9           H        ILE   9   4.948   2.391   9.545
   63    HA   ILE   9           HA       ILE   9   2.288   2.498  10.565
   64    HB   ILE   9           HB       ILE   9   4.869   1.221  11.484
   65   HG12  ILE   9          2HG1      ILE   9   2.252  -0.064  10.591
   66   HG13  ILE   9          3HG1      ILE   9   3.435   0.474   9.410
   67   HG21  ILE   9          1HG2      ILE   9   3.505  -0.070  13.159
   68   HG22  ILE   9          2HG2      ILE   9   3.655   1.640  13.562
   69   HG23  ILE   9          3HG2      ILE   9   2.146   1.032  12.850
   70   HD11  ILE   9          3HD1      ILE   9   3.602  -1.935   9.913
   71   HD12  ILE   9          1HD1      ILE   9   5.103  -1.046  10.198
   72   HD13  ILE   9          2HD1      ILE   9   4.097  -1.554  11.572
   73    HA   PRO  10           HA       PRO  10   2.833   6.395  12.766
   74    HB2  PRO  10           2HB      PRO  10   0.455   5.336  14.313
   75    HB3  PRO  10           3HB      PRO  10   0.725   6.978  13.653
   76    HG2  PRO  10           2HG      PRO  10  -0.889   5.231  12.354
   77    HG3  PRO  10           3HG      PRO  10   0.272   6.239  11.428
   78    HD2  PRO  10           2HD      PRO  10   0.541   3.342  12.254
   79    HD3  PRO  10           3HD      PRO  10   0.934   4.125  10.694
   80    H    ASP  11           H        ASP  11   3.945   6.953  14.652
   81    HA   ASP  11           HA       ASP  11   4.967   4.714  16.185
   82    HB2  ASP  11           2HB      ASP  11   6.172   6.877  15.274
   83    HB3  ASP  11           3HB      ASP  11   5.628   7.599  16.793
   84    H    VAL  12           H        VAL  12   2.740   7.377  16.776
   85    HA   VAL  12           HA       VAL  12   1.883   6.171  19.325
   86    HB   VAL  12           HB       VAL  12   2.289   9.151  18.821
   87   HG11  VAL  12          1HG1      VAL  12   1.367   7.689  21.339
   88   HG12  VAL  12          2HG1      VAL  12   1.699   9.426  21.201
   89   HG13  VAL  12          3HG1      VAL  12   0.366   8.714  20.291
   90   HG21  VAL  12          3HG2      VAL  12   4.465   8.080  19.205
   91   HG22  VAL  12          1HG2      VAL  12   3.990   9.034  20.605
   92   HG23  VAL  12          2HG2      VAL  12   3.833   7.262  20.649
   93    H    ASP  13           H        ASP  13  -0.386   6.103  19.387
   94    HA   ASP  13           HA       ASP  13  -1.955   7.879  17.677
   95    HB2  ASP  13           2HB      ASP  13  -1.530   5.787  16.288
   96    HB3  ASP  13           3HB      ASP  13  -2.434   4.879  17.497
   97    H    ILE  14           H        ILE  14  -3.332   8.708  19.159
   98    HA   ILE  14           HA       ILE  14  -4.165   7.099  21.484
   99    HB   ILE  14           HB       ILE  14  -3.519   9.040  22.943
  100   HG12  ILE  14          2HG1      ILE  14  -1.753   9.889  20.622
  101   HG13  ILE  14          3HG1      ILE  14  -3.157  10.760  21.246
  102   HG21  ILE  14          1HG2      ILE  14  -1.313   8.122  23.338
  103   HG22  ILE  14          2HG2      ILE  14  -2.373   6.817  22.793
  104   HG23  ILE  14          3HG2      ILE  14  -1.213   7.525  21.666
  105   HD11  ILE  14          3HD1      ILE  14  -1.977  10.924  23.481
  106   HD12  ILE  14          1HD1      ILE  14  -0.532  10.240  22.700
  107   HD13  ILE  14          2HD1      ILE  14  -1.185  11.790  22.151
  108    H    ASP  15           H        ASP  15  -5.625   8.484  22.940
  109    HA   ASP  15           HA       ASP  15  -7.680   9.820  21.242
  110    HB2  ASP  15           2HB      ASP  15  -7.976   7.367  21.452
  111    HB3  ASP  15           3HB      ASP  15  -7.990   7.541  23.212
  112    H    SER  16           H        SER  16  -6.059  11.355  22.730
  113    HA   SER  16           HA       SER  16  -6.582  11.822  25.402
  114    HG   SER  16           HG       SER  16  -3.636  12.983  23.642
  115    HB2  SER  16           2HB      SER  16  -5.726  13.872  23.329
  116    HB3  SER  16           3HB      SER  16  -5.267  13.802  25.039
  117    H    ASP  17           H        ASP  17  -9.141  11.850  23.673
  118    HA   ASP  17           HA       ASP  17 -10.478  14.394  23.964
  119    HB2  ASP  17           2HB      ASP  17 -11.313  12.718  22.440
  120    HB3  ASP  17           3HB      ASP  17 -11.356  11.496  23.711
  121    H    GLY  18           H        GLY  18  -9.614  11.789  26.144
  122    HA2  GLY  18           2HA      GLY  18 -10.259  13.200  28.520
  123    HA3  GLY  18           3HA      GLY  18 -11.481  11.943  28.207
  124    H    VAL  19           H        VAL  19 -10.594  10.785  30.125
  125    HA   VAL  19           HA       VAL  19  -7.962   9.648  30.124
  126    HB   VAL  19           HB       VAL  19 -10.569   8.602  31.320
  127   HG11  VAL  19          1HG1      VAL  19  -7.677   7.832  31.919
  128   HG12  VAL  19          2HG1      VAL  19  -9.089   7.330  32.878
  129   HG13  VAL  19          3HG1      VAL  19  -8.926   6.786  31.207
  130   HG21  VAL  19          3HG2      VAL  19  -8.353  10.257  32.603
  131   HG22  VAL  19          1HG2      VAL  19  -9.995  10.825  32.235
  132   HG23  VAL  19          2HG2      VAL  19  -9.752   9.567  33.446
  133    H    PHE  20           H        PHE  20  -7.215   7.733  29.101
  134    HA   PHE  20           HA       PHE  20  -9.183   5.983  27.816
  135    HD1  PHE  20           HD1      PHE  20  -7.113   9.419  26.414
  136    HD2  PHE  20           HD2      PHE  20  -5.647   5.479  25.517
  137    HE1  PHE  20           HE1      PHE  20  -4.886  10.370  25.856
  138    HE2  PHE  20           HE2      PHE  20  -3.432   6.425  24.945
  139    HZ   PHE  20           HZ       PHE  20  -3.047   8.878  25.135
  140    HB2  PHE  20           2HB      PHE  20  -8.029   5.911  25.685
  141    HB3  PHE  20           3HB      PHE  20  -8.659   7.512  26.000
  142    H    LYS  21           H        LYS  21  -8.327   3.875  27.356
  143    HA   LYS  21           HA       LYS  21  -6.177   3.028  29.208
  144    HB2  LYS  21           2HB      LYS  21  -7.842   1.351  27.270
  145    HB3  LYS  21           3HB      LYS  21  -6.814   0.776  28.565
  146    HG2  LYS  21           2HG      LYS  21  -8.733   0.597  29.729
  147    HG3  LYS  21           3HG      LYS  21  -8.536   2.327  30.031
  148    HD2  LYS  21           2HD      LYS  21  -9.987   2.782  28.004
  149    HD3  LYS  21           3HD      LYS  21 -10.141   1.033  27.776
  150    HE2  LYS  21           2HE      LYS  21 -11.109   0.926  30.137
  151    HE3  LYS  21           3HE      LYS  21 -11.175   2.695  30.109
  152    HZ1  LYS  21           3HZ      LYS  21 -12.599   2.471  28.083
  153    HZ2  LYS  21           1HZ      LYS  21 -12.540   0.849  28.235
  154    HZ3  LYS  21           2HZ      LYS  21 -13.275   1.746  29.404
  155    H    TYR  22           H        TYR  22  -4.183   2.086  28.378
  156    HA   TYR  22           HA       TYR  22  -3.803   2.223  25.464
  157    HD1  TYR  22           HD2      TYR  22  -1.877   3.956  29.076
  158    HD2  TYR  22           HD1      TYR  22  -0.178   3.243  25.183
  159    HE1  TYR  22           HE2      TYR  22   0.373   3.945  30.072
  160    HE2  TYR  22           HE1      TYR  22   2.093   3.185  26.180
  161    HH   TYR  22           HH       TYR  22   3.353   3.650  28.025
  162    HB2  TYR  22           2HB      TYR  22  -2.435   3.992  25.411
  163    HB3  TYR  22           3HB      TYR  22  -3.142   4.449  26.932
  164    H    VAL  23           H        VAL  23  -1.735   1.311  24.781
  165    HA   VAL  23           HA       VAL  23  -0.535  -0.642  26.623
  166    HB   VAL  23           HB       VAL  23  -2.490  -1.718  25.614
  167   HG11  VAL  23          1HG1      VAL  23  -2.699  -0.471  23.532
  168   HG12  VAL  23          2HG1      VAL  23  -1.204  -1.193  22.918
  169   HG13  VAL  23          3HG1      VAL  23  -2.634  -2.209  23.222
  170   HG21  VAL  23          3HG2      VAL  23  -0.690  -3.185  26.152
  171   HG22  VAL  23          1HG2      VAL  23  -1.413  -3.716  24.633
  172   HG23  VAL  23          2HG2      VAL  23   0.141  -2.851  24.620
  173    H    LEU  24           H        LEU  24   1.564  -1.205  26.020
  174    HA   LEU  24           HA       LEU  24   2.870   0.442  23.893
  175    HG   LEU  24           HG       LEU  24   5.644  -0.935  24.607
  176    HB2  LEU  24           2HB      LEU  24   3.765   0.919  26.148
  177    HB3  LEU  24           3HB      LEU  24   3.959  -0.808  26.456
  178   HD11  LEU  24          1HD1      LEU  24   5.127   0.896  23.171
  179   HD12  LEU  24          2HD1      LEU  24   5.218   2.076  24.493
  180   HD13  LEU  24          3HD1      LEU  24   6.685   1.285  23.893
  181   HD21  LEU  24          3HD2      LEU  24   7.466   0.110  25.826
  182   HD22  LEU  24          1HD2      LEU  24   6.329   1.155  26.705
  183   HD23  LEU  24          2HD2      LEU  24   6.327  -0.599  26.979
  184    H    ILE  25           H        ILE  25   3.444  -0.813  22.141
  185    HA   ILE  25           HA       ILE  25   3.606  -3.775  22.527
  186    HB   ILE  25           HB       ILE  25   2.181  -2.282  20.279
  187   HG12  ILE  25          2HG1      ILE  25   0.982  -4.002  22.502
  188   HG13  ILE  25          3HG1      ILE  25   0.881  -2.243  22.415
  189   HG21  ILE  25          1HG2      ILE  25   2.442  -5.273  20.853
  190   HG22  ILE  25          2HG2      ILE  25   1.523  -4.548  19.506
  191   HG23  ILE  25          3HG2      ILE  25   3.250  -4.383  19.539
  192   HD11  ILE  25          3HD1      ILE  25  -1.202  -3.243  21.666
  193   HD12  ILE  25          1HD1      ILE  25  -0.421  -2.351  20.350
  194   HD13  ILE  25          2HD1      ILE  25  -0.390  -4.131  20.392
  195    H    ARG  26           H        ARG  26   5.367  -4.656  21.608
  196    HA   ARG  26           HA       ARG  26   7.157  -2.975  19.951
  197    HE   ARG  26           HE       ARG  26  10.965  -3.871  21.326
  198    HB2  ARG  26           2HB      ARG  26   8.205  -4.279  21.725
  199    HB3  ARG  26           3HB      ARG  26   7.452  -5.764  21.147
  200    HG2  ARG  26           2HG      ARG  26   8.734  -5.680  19.062
  201    HG3  ARG  26           3HG      ARG  26   9.396  -4.092  19.484
  202    HD2  ARG  26           2HD      ARG  26   9.863  -6.657  21.050
  203    HD3  ARG  26           3HD      ARG  26  10.988  -5.957  19.881
  204   HH11  ARG  26          1HH2      ARG  26  10.275  -7.019  22.958
  205   HH12  ARG  26          2HH2      ARG  26  11.091  -6.521  24.395
  206   HH21  ARG  26          1HH1      ARG  26  11.735  -3.222  23.144
  207   HH22  ARG  26          2HH1      ARG  26  11.902  -4.235  24.570
  208    H    VAL  27           H        VAL  27   7.391  -3.431  17.764
  209    HA   VAL  27           HA       VAL  27   5.586  -5.480  16.607
  210    HB   VAL  27           HB       VAL  27   6.039  -2.604  15.704
  211   HG11  VAL  27          1HG1      VAL  27   4.345  -4.771  14.395
  212   HG12  VAL  27          2HG1      VAL  27   4.459  -3.068  13.887
  213   HG13  VAL  27          3HG1      VAL  27   5.865  -4.118  13.736
  214   HG21  VAL  27          3HG2      VAL  27   4.407  -2.778  17.546
  215   HG22  VAL  27          1HG2      VAL  27   3.568  -2.428  16.027
  216   HG23  VAL  27          2HG2      VAL  27   3.548  -4.073  16.694
  217    H    HIS  28           H        HIS  28   6.484  -6.618  14.966
  218    HA   HIS  28           HA       HIS  28   9.382  -6.215  14.342
  219    HD1  HIS  28           HD1      HIS  28  10.856  -7.556  16.537
  220    HD2  HIS  28           HD2      HIS  28   6.984  -9.149  16.965
  221    HE1  HIS  28           HE1      HIS  28  10.582  -8.154  19.012
  222    HB2  HIS  28           2HB      HIS  28   7.806  -8.823  14.504
  223    HB3  HIS  28           3HB      HIS  28   9.539  -8.639  14.260
  224    H    SER  29           H        SER  29   9.839  -6.322  12.122
  225    HA   SER  29           HA       SER  29   7.443  -6.139  10.413
  226    HG   SER  29           HG       SER  29  10.833  -5.154  10.979
  227    HB2  SER  29           2HB      SER  29   9.012  -5.099   8.791
  228    HB3  SER  29           3HB      SER  29   8.868  -4.257  10.341
  229    H    ALA  30           H        ALA  30   6.937  -7.372   8.702
  230    HA   ALA  30           HA       ALA  30   8.915  -9.005   7.358
  231    HB1  ALA  30           3HB      ALA  30   7.606 -11.075   7.467
  232    HB2  ALA  30           1HB      ALA  30   8.237 -10.609   9.062
  233    HB3  ALA  30           2HB      ALA  30   6.516 -10.339   8.671
  234    HA   PRO  31           HA       PRO  31   5.631  -6.359   5.334
  235    HB2  PRO  31           2HB      PRO  31   7.814  -6.141   3.266
  236    HB3  PRO  31           3HB      PRO  31   6.731  -4.875   3.902
  237    HG2  PRO  31           2HG      PRO  31   9.314  -5.073   4.757
  238    HG3  PRO  31           3HG      PRO  31   7.988  -4.645   5.885
  239    HD2  PRO  31           2HD      PRO  31   9.376  -7.304   5.569
  240    HD3  PRO  31           3HD      PRO  31   8.788  -6.486   7.025
  241    H    ARG  32           H        ARG  32   4.253  -6.793   3.550
  242    HA   ARG  32           HA       ARG  32   2.977  -8.211   2.446
  243    HE   ARG  32           HE       ARG  32   7.462 -10.669  -1.275
  244    HB2  ARG  32           2HB      ARG  32   3.731  -9.035   0.337
  245    HB3  ARG  32           3HB      ARG  32   4.378  -7.428   0.619
  246    HG2  ARG  32           2HG      ARG  32   6.596  -8.315   1.069
  247    HG3  ARG  32           3HG      ARG  32   5.987  -9.982   1.069
  248    HD2  ARG  32           2HD      ARG  32   5.371  -9.730  -1.325
  249    HD3  ARG  32           3HD      ARG  32   6.040  -8.097  -1.329
  250   HH11  ARG  32          1HH2      ARG  32   7.809  -7.148  -0.960
  251   HH12  ARG  32          2HH2      ARG  32   9.528  -7.162  -1.155
  252   HH21  ARG  32          1HH1      ARG  32   9.741 -10.685  -1.530
  253   HH22  ARG  32          2HH1      ARG  32  10.642  -9.218  -1.495
  254    H    SER  33           H        SER  33   4.381  -9.427   4.859
  255    HA   SER  33           HA       SER  33   4.675 -11.348   5.902
  256    HG   SER  33           HG       SER  33   1.181 -11.753   5.888
  257    HB2  SER  33           2HB      SER  33   2.482 -12.415   4.094
  258    HB3  SER  33           3HB      SER  33   3.005 -13.090   5.647
  259    H    GLY  34           H        GLY  34   6.560 -10.823   3.875
  260    HA2  GLY  34           2HA      GLY  34   7.610 -13.523   3.486
  261    HA3  GLY  34           3HA      GLY  34   7.099 -12.739   1.988
  262    H    ALA  35           H        ALA  35   8.008  -9.977   3.038
  263    HA   ALA  35           HA       ALA  35  10.719 -10.154   2.092
  264    HB1  ALA  35           3HB      ALA  35  10.808  -7.748   2.702
  265    HB2  ALA  35           1HB      ALA  35   9.369  -8.143   1.735
  266    HB3  ALA  35           2HB      ALA  35   9.227  -7.911   3.487
  267    HA   PRO  36           HA       PRO  36  12.208 -11.411   6.095
  268    HB2  PRO  36           2HB      PRO  36  14.829 -11.877   5.530
  269    HB3  PRO  36           3HB      PRO  36  13.562 -12.695   4.572
  270    HG2  PRO  36           2HG      PRO  36  14.908 -10.031   3.894
  271    HG3  PRO  36           3HG      PRO  36  14.915 -11.529   2.892
  272    HD2  PRO  36           2HD      PRO  36  13.049  -9.601   2.523
  273    HD3  PRO  36           3HD      PRO  36  12.592 -11.333   2.455
  274    H    ALA  37           H        ALA  37  11.818  -8.577   5.918
  275    HA   ALA  37           HA       ALA  37  14.145  -7.015   6.299
  276    HB1  ALA  37           3HB      ALA  37  11.979  -6.144   5.573
  277    HB2  ALA  37           1HB      ALA  37  11.288  -6.457   7.190
  278    HB3  ALA  37           2HB      ALA  37  12.582  -5.253   6.990
  279    H    ALA  38           H        ALA  38  11.832  -8.219   8.772
  280    HA   ALA  38           HA       ALA  38  11.922  -8.516  10.940
  281    HB1  ALA  38           3HB      ALA  38  14.724  -9.539  10.344
  282    HB2  ALA  38           1HB      ALA  38  13.691 -10.010  11.712
  283    HB3  ALA  38           2HB      ALA  38  13.213 -10.435  10.059
  284    H    GLU  39           H        GLU  39  12.702  -5.814  10.241
  285    HA   GLU  39           HA       GLU  39  14.487  -4.968  12.455
  286    HB2  GLU  39           2HB      GLU  39  12.758  -3.406  10.471
  287    HB3  GLU  39           3HB      GLU  39  13.724  -2.678  11.762
  288    HG2  GLU  39           2HG      GLU  39  15.780  -3.716  10.775
  289    HG3  GLU  39           3HG      GLU  39  14.806  -4.321   9.434
  290    H    SER  40           H        SER  40  13.433  -3.566  14.216
  291    HA   SER  40           HA       SER  40  10.549  -4.042  14.576
  292    HG   SER  40           HG       SER  40  12.703  -6.280  15.082
  293    HB2  SER  40           2HB      SER  40  12.539  -4.732  16.750
  294    HB3  SER  40           3HB      SER  40  10.796  -5.000  16.771
  295    H    LYS  41           H        LYS  41   9.653  -2.722  16.312
  296    HA   LYS  41           HA       LYS  41  11.291  -0.750  17.637
  297    HB2  LYS  41           2HB      LYS  41  10.296   1.250  16.855
  298    HB3  LYS  41           3HB      LYS  41  10.879   0.404  15.432
  299    HG2  LYS  41           2HG      LYS  41   8.589  -0.268  14.834
  300    HG3  LYS  41           3HG      LYS  41   7.959   0.396  16.350
  301    HD2  LYS  41           2HD      LYS  41   8.789   2.652  15.700
  302    HD3  LYS  41           3HD      LYS  41   9.275   2.005  14.123
  303    HE2  LYS  41           2HE      LYS  41   6.944   1.452  13.589
  304    HE3  LYS  41           3HE      LYS  41   6.440   1.875  15.235
  305    HZ1  LYS  41           3HZ      LYS  41   5.966   3.667  13.691
  306    HZ2  LYS  41           1HZ      LYS  41   7.137   4.161  14.788
  307    HZ3  LYS  41           2HZ      LYS  41   7.496   3.733  13.218
  308    H    GLU  42           H        GLU  42   9.656   0.717  19.017
  309    HA   GLU  42           HA       GLU  42   7.358  -0.976  19.886
  310    HB2  GLU  42           2HB      GLU  42   8.870   1.162  21.444
  311    HB3  GLU  42           3HB      GLU  42   7.429   0.304  21.961
  312    HG2  GLU  42           2HG      GLU  42   9.138  -0.772  23.088
  313    HG3  GLU  42           3HG      GLU  42   8.688  -1.864  21.785
  314    H    ILE  43           H        ILE  43   5.354   0.072  20.223
  315    HA   ILE  43           HA       ILE  43   5.069   2.865  19.268
  316    HB   ILE  43           HB       ILE  43   3.000   2.206  18.078
  317   HG12  ILE  43          2HG1      ILE  43   3.960  -0.671  18.268
  318   HG13  ILE  43          3HG1      ILE  43   2.654  -0.019  19.252
  319   HG21  ILE  43          1HG2      ILE  43   5.222   2.543  16.947
  320   HG22  ILE  43          2HG2      ILE  43   5.415   0.777  16.918
  321   HG23  ILE  43          3HG2      ILE  43   4.074   1.550  16.040
  322   HD11  ILE  43          3HD1      ILE  43   1.331   0.470  17.251
  323   HD12  ILE  43          1HD1      ILE  43   2.608  -0.216  16.220
  324   HD13  ILE  43          2HD1      ILE  43   1.747  -1.244  17.379
  325    H    VAL  44           H        VAL  44   3.265   3.955  20.107
  326    HA   VAL  44           HA       VAL  44   2.097   2.757  22.595
  327    HB   VAL  44           HB       VAL  44   2.327   5.668  21.721
  328   HG11  VAL  44          1HG1      VAL  44   1.761   6.251  24.024
  329   HG12  VAL  44          2HG1      VAL  44   0.485   5.210  23.387
  330   HG13  VAL  44          3HG1      VAL  44   1.715   4.554  24.486
  331   HG21  VAL  44          3HG2      VAL  44   4.083   5.911  23.451
  332   HG22  VAL  44          1HG2      VAL  44   4.040   4.156  23.742
  333   HG23  VAL  44          2HG2      VAL  44   4.597   4.801  22.180
  334    H    ARG  45           H        ARG  45  -0.109   2.356  22.562
  335    HA   ARG  45           HA       ARG  45  -1.818   3.540  20.410
  336    HE   ARG  45           HE       ARG  45  -0.563   3.415  18.793
  337    HB2  ARG  45           2HB      ARG  45  -1.733   0.642  21.392
  338    HB3  ARG  45           3HB      ARG  45  -2.921   1.289  20.277
  339    HG2  ARG  45           2HG      ARG  45   0.067   1.059  19.661
  340    HG3  ARG  45           3HG      ARG  45  -1.121  -0.159  19.298
  341    HD2  ARG  45           2HD      ARG  45  -1.043   0.903  17.276
  342    HD3  ARG  45           3HD      ARG  45  -2.397   1.771  18.012
  343   HH11  ARG  45          1HH2      ARG  45  -0.445   1.932  15.533
  344   HH12  ARG  45          2HH2      ARG  45   1.019   2.792  15.127
  345   HH21  ARG  45          1HH1      ARG  45   1.299   4.395  18.234
  346   HH22  ARG  45          2HH1      ARG  45   1.973   4.221  16.622
  347    H    GLY  46           H        GLY  46  -3.851   4.233  21.367
  348    HA2  GLY  46           2HA      GLY  46  -4.915   2.684  23.519
  349    HA3  GLY  46           3HA      GLY  46  -4.238   4.182  24.158
  350    H    TYR  47           H        TYR  47  -7.034   3.045  23.830
  351    HA   TYR  47           HA       TYR  47  -8.326   5.480  22.798
  352    HD1  TYR  47           HD2      TYR  47  -8.150   5.707  19.790
  353    HD2  TYR  47           HD1      TYR  47  -7.146   1.711  21.050
  354    HE1  TYR  47           HE2      TYR  47  -6.427   5.586  18.013
  355    HE2  TYR  47           HE1      TYR  47  -5.429   1.571  19.269
  356    HH   TYR  47           HH       TYR  47  -4.455   2.648  17.447
  357    HB2  TYR  47           2HB      TYR  47  -9.169   2.749  21.842
  358    HB3  TYR  47           3HB      TYR  47  -9.701   4.326  21.262
  359    H    LYS  48           H        LYS  48 -10.404   5.833  23.762
  360    HA   LYS  48           HA       LYS  48 -10.590   4.547  26.323
  361    HB2  LYS  48           2HB      LYS  48 -12.276   6.092  26.862
  362    HB3  LYS  48           3HB      LYS  48 -11.109   6.943  25.859
  363    HG2  LYS  48           2HG      LYS  48 -12.699   6.594  23.884
  364    HG3  LYS  48           3HG      LYS  48 -13.870   5.937  25.038
  365    HD2  LYS  48           2HD      LYS  48 -13.816   8.062  26.316
  366    HD3  LYS  48           3HD      LYS  48 -12.643   8.734  25.160
  367    HE2  LYS  48           2HE      LYS  48 -14.268   8.516  23.330
  368    HE3  LYS  48           3HE      LYS  48 -15.428   7.736  24.416
  369    HZ1  LYS  48           3HZ      LYS  48 -14.478  10.557  24.639
  370    HZ2  LYS  48           1HZ      LYS  48 -15.945  10.061  24.126
  371    HZ3  LYS  48           2HZ      LYS  48 -15.514   9.818  25.682
  372    H    TRP  49           H        TRP  49 -12.153   3.759  23.288
  373    HA   TRP  49           HA       TRP  49 -14.501   2.600  24.388
  374    HD1  TRP  49           HD1      TRP  49 -13.128   4.325  20.468
  375    HE1  TRP  49           HE1      TRP  49 -11.081   3.722  19.067
  376    HE3  TRP  49           HE3      TRP  49 -12.390  -0.508  22.067
  377    HZ2  TRP  49           HZ2      TRP  49  -9.166   1.604  18.930
  378    HZ3  TRP  49           HZ3      TRP  49 -10.321  -1.704  21.448
  379    HH2  TRP  49           HH2      TRP  49  -8.654  -0.629  19.936
  380    HB2  TRP  49           2HB      TRP  49 -14.665   1.488  22.116
  381    HB3  TRP  49           3HB      TRP  49 -14.613   3.234  22.160
  382    H    ALA  50           H        ALA  50 -11.258   1.306  24.408
  383    HA   ALA  50           HA       ALA  50 -11.810  -1.415  24.019
  384    HB1  ALA  50           3HB      ALA  50  -9.562  -0.435  23.995
  385    HB2  ALA  50           1HB      ALA  50  -9.648  -0.136  25.748
  386    HB3  ALA  50           2HB      ALA  50  -9.658  -1.798  25.121
  387    H    GLU  51           H        GLU  51 -12.783  -2.936  25.203
  388    HA   GLU  51           HA       GLU  51 -13.997  -2.352  27.755
  389    HB2  GLU  51           2HB      GLU  51 -13.525  -4.996  26.308
  390    HB3  GLU  51           3HB      GLU  51 -14.489  -4.806  27.781
  391    HG2  GLU  51           2HG      GLU  51 -15.976  -3.194  26.576
  392    HG3  GLU  51           3HG      GLU  51 -15.071  -3.494  25.091
  393    H    TYR  52           H        TYR  52 -11.019  -3.948  26.732
  394    HA   TYR  52           HA       TYR  52  -9.787  -3.656  29.361
  395    HD1  TYR  52           HD2      TYR  52 -10.150  -5.496  31.558
  396    HD2  TYR  52           HD1      TYR  52 -12.202  -7.010  28.076
  397    HE1  TYR  52           HE2      TYR  52 -12.044  -6.210  32.985
  398    HE2  TYR  52           HE1      TYR  52 -14.098  -7.720  29.491
  399    HH   TYR  52           HH       TYR  52 -14.962  -7.816  31.653
  400    HB2  TYR  52           2HB      TYR  52  -9.888  -6.354  27.926
  401    HB3  TYR  52           3HB      TYR  52  -8.954  -5.988  29.366
  402    H    HIS  53           H        HIS  53  -7.409  -3.837  29.067
  403    HA   HIS  53           HA       HIS  53  -6.443  -2.522  26.838
  404    HD2  HIS  53           HD2      HIS  53  -4.271  -0.692  28.580
  405    HE1  HIS  53           HE1      HIS  53  -6.599  -1.270  32.090
  406    HE2  HIS  53           HE2      HIS  53  -5.150   0.393  30.768
  407    HB2  HIS  53           2HB      HIS  53  -4.936  -4.421  28.684
  408    HB3  HIS  53           3HB      HIS  53  -4.210  -3.158  27.686
  409    H    ALA  54           H        ALA  54  -6.756  -6.031  27.259
  410    HA   ALA  54           HA       ALA  54  -5.148  -6.872  25.090
  411    HB1  ALA  54           3HB      ALA  54  -5.979  -8.390  26.847
  412    HB2  ALA  54           1HB      ALA  54  -7.649  -8.163  26.263
  413    HB3  ALA  54           2HB      ALA  54  -6.443  -8.962  25.233
  414    H    ASP  55           H        ASP  55  -8.362  -5.359  25.083
  415    HA   ASP  55           HA       ASP  55  -9.188  -6.324  22.496
  416    HB2  ASP  55           2HB      ASP  55 -10.648  -5.227  24.309
  417    HB3  ASP  55           3HB      ASP  55  -9.945  -3.694  23.818
  418    H    ILE  56           H        ILE  56  -7.270  -3.535  23.653
  419    HA   ILE  56           HA       ILE  56  -7.043  -2.230  21.104
  420    HB   ILE  56           HB       ILE  56  -4.998  -2.132  23.363
  421   HG12  ILE  56          2HG1      ILE  56  -7.373  -0.250  23.120
  422   HG13  ILE  56          3HG1      ILE  56  -7.349  -1.635  24.218
  423   HG21  ILE  56          1HG2      ILE  56  -4.265  -1.122  21.252
  424   HG22  ILE  56          2HG2      ILE  56  -5.772  -0.203  21.123
  425   HG23  ILE  56          3HG2      ILE  56  -4.597   0.179  22.391
  426   HD11  ILE  56          3HD1      ILE  56  -6.763   0.317  25.462
  427   HD12  ILE  56          1HD1      ILE  56  -5.352  -0.753  25.361
  428   HD13  ILE  56          2HD1      ILE  56  -5.441   0.712  24.360
  429    H    TYR  57           H        TYR  57  -4.942  -4.556  22.911
  430    HA   TYR  57           HA       TYR  57  -2.940  -4.815  20.935
  431    HD1  TYR  57           HD2      TYR  57  -0.477  -5.972  21.971
  432    HD2  TYR  57           HD1      TYR  57  -3.624  -8.916  21.776
  433    HE1  TYR  57           HE2      TYR  57   1.134  -7.625  21.083
  434    HE2  TYR  57           HE1      TYR  57  -2.022 -10.575  20.875
  435    HH   TYR  57           HH       TYR  57   1.446  -9.847  20.311
  436    HB2  TYR  57           2HB      TYR  57  -2.663  -5.670  23.194
  437    HB3  TYR  57           3HB      TYR  57  -3.967  -6.830  22.958
  438    H    ASP  58           H        ASP  58  -6.054  -6.636  21.259
  439    HA   ASP  58           HA       ASP  58  -5.586  -8.423  19.123
  440    HB2  ASP  58           2HB      ASP  58  -7.358  -8.762  20.754
  441    HB3  ASP  58           3HB      ASP  58  -8.199  -7.312  20.200
  442    H    LYS  59           H        LYS  59  -7.189  -5.175  19.089
  443    HA   LYS  59           HA       LYS  59  -7.775  -5.188  16.281
  444    HB2  LYS  59           2HB      LYS  59  -7.166  -2.892  18.201
  445    HB3  LYS  59           3HB      LYS  59  -7.667  -2.644  16.532
  446    HG2  LYS  59           2HG      LYS  59  -9.313  -4.180  18.569
  447    HG3  LYS  59           3HG      LYS  59  -9.470  -2.444  18.254
  448    HD2  LYS  59           2HD      LYS  59 -10.051  -2.939  15.881
  449    HD3  LYS  59           3HD      LYS  59  -9.962  -4.681  16.238
  450    HE2  LYS  59           2HE      LYS  59 -11.721  -4.416  17.971
  451    HE3  LYS  59           3HE      LYS  59 -11.815  -2.686  17.617
  452    HZ1  LYS  59           3HZ      LYS  59 -12.550  -3.250  15.374
  453    HZ2  LYS  59           1HZ      LYS  59 -12.465  -4.857  15.707
  454    HZ3  LYS  59           2HZ      LYS  59 -13.552  -3.911  16.486
  455    H    VAL  60           H        VAL  60  -4.952  -3.943  18.118
  456    HA   VAL  60           HA       VAL  60  -3.739  -2.854  15.814
  457    HB   VAL  60           HB       VAL  60  -2.639  -3.586  18.557
  458   HG11  VAL  60          1HG1      VAL  60  -0.732  -2.048  18.044
  459   HG12  VAL  60          2HG1      VAL  60  -0.707  -3.495  17.046
  460   HG13  VAL  60          3HG1      VAL  60  -1.276  -1.963  16.355
  461   HG21  VAL  60          3HG2      VAL  60  -3.245  -0.831  17.388
  462   HG22  VAL  60          1HG2      VAL  60  -4.454  -1.751  18.283
  463   HG23  VAL  60          2HG2      VAL  60  -2.974  -1.287  19.093
  464    H    SER  61           H        SER  61  -3.257  -6.061  17.427
  465    HA   SER  61           HA       SER  61  -1.132  -6.828  15.666
  466    HG   SER  61           HG       SER  61  -3.404  -7.818  18.269
  467    HB2  SER  61           2HB      SER  61  -1.637  -9.147  16.492
  468    HB3  SER  61           3HB      SER  61  -1.280  -7.947  17.742
  469    H    GLY  62           H        GLY  62  -4.703  -7.110  15.366
  470    HA2  GLY  62           2HA      GLY  62  -4.684  -8.735  13.001
  471    HA3  GLY  62           3HA      GLY  62  -5.961  -7.616  13.522
  472    H    ASP  63           H        ASP  63  -4.482  -5.161  13.521
  473    HA   ASP  63           HA       ASP  63  -4.456  -4.566  10.713
  474    HB2  ASP  63           2HB      ASP  63  -5.035  -2.905  12.477
  475    HB3  ASP  63           3HB      ASP  63  -3.340  -2.878  12.979
  476    H    MET  64           H        MET  64  -1.776  -4.988  13.131
  477    HA   MET  64           HA       MET  64   0.281  -4.403  11.284
  478    HB2  MET  64           2HB      MET  64   0.229  -6.132  13.792
  479    HB3  MET  64           3HB      MET  64   1.685  -5.872  12.842
  480    HG2  MET  64           2HG      MET  64   0.041  -3.737  14.248
  481    HG3  MET  64           3HG      MET  64   1.645  -4.300  14.692
  482    HE1  MET  64           3HE      MET  64   0.719  -0.699  12.309
  483    HE2  MET  64           1HE      MET  64  -0.492  -1.944  12.669
  484    HE3  MET  64           2HE      MET  64   0.413  -1.171  13.997
  485    H    GLN  65           H        GLN  65  -1.372  -7.533  11.973
  486    HA   GLN  65           HA       GLN  65   0.271  -9.066  10.226
  487    HB2  GLN  65           2HB      GLN  65  -2.585  -9.346  11.214
  488    HB3  GLN  65           3HB      GLN  65  -1.878 -10.507  10.080
  489    HG2  GLN  65           2HG      GLN  65  -0.094 -11.080  11.591
  490    HG3  GLN  65           3HG      GLN  65  -0.507  -9.774  12.696
  491   HE21  GLN  65          2HE2      GLN  65  -2.597  -9.876  13.808
  492   HE22  GLN  65          1HE2      GLN  65  -3.299 -11.445  14.203
  493    H    LYS  66           H        LYS  66  -2.625  -7.002   9.488
  494    HA   LYS  66           HA       LYS  66  -2.446  -7.794   6.714
  495    HB2  LYS  66           2HB      LYS  66  -4.359  -6.737   6.309
  496    HB3  LYS  66           3HB      LYS  66  -4.537  -7.060   8.025
  497    HG2  LYS  66           2HG      LYS  66  -3.908  -4.642   8.466
  498    HG3  LYS  66           3HG      LYS  66  -3.806  -4.410   6.725
  499    HD2  LYS  66           2HD      LYS  66  -5.912  -3.638   7.156
  500    HD3  LYS  66           3HD      LYS  66  -6.280  -5.288   6.688
  501    HE2  LYS  66           2HE      LYS  66  -6.101  -4.175   9.537
  502    HE3  LYS  66           3HE      LYS  66  -7.580  -4.460   8.633
  503    HZ1  LYS  66           3HZ      LYS  66  -7.023  -6.846   8.621
  504    HZ2  LYS  66           1HZ      LYS  66  -5.737  -6.567   9.621
  505    HZ3  LYS  66           2HZ      LYS  66  -7.261  -6.250  10.118
  506    H    GLN  67           H        GLN  67  -0.774  -5.357   8.599
  507    HA   GLN  67           HA       GLN  67   0.121  -3.866   6.275
  508    HB2  GLN  67           2HB      GLN  67   1.488  -4.139   8.995
  509    HB3  GLN  67           3HB      GLN  67   1.898  -2.997   7.741
  510    HG2  GLN  67           2HG      GLN  67  -0.570  -2.996   9.471
  511    HG3  GLN  67           3HG      GLN  67   0.736  -1.843   9.467
  512   HE21  GLN  67          2HE2      GLN  67  -2.109  -1.299   9.202
  513   HE22  GLN  67          1HE2      GLN  67  -2.325  -0.518   7.642
  514    H    GLY  68           H        GLY  68   1.341  -6.570   8.202
  515    HA2  GLY  68           2HA      GLY  68   2.693  -8.357   7.119
  516    HA3  GLY  68           3HA      GLY  68   3.555  -7.080   6.242
  517    H    CYS  69           H        CYS  69   2.466  -7.412   9.694
  518    HA   CYS  69           HA       CYS  69   5.232  -7.435  10.674
  519    HG   CYS  69           HG       CYS  69   4.930  -5.161   9.130
  520    HB2  CYS  69           2HB      CYS  69   3.118  -5.306  11.257
  521    HB3  CYS  69           3HB      CYS  69   4.477  -5.633  12.343
  522    H    ASP  70           H        ASP  70   5.094  -7.790  13.122
  523    HA   ASP  70           HA       ASP  70   2.658  -9.235  14.036
  524    HB2  ASP  70           2HB      ASP  70   4.237 -10.934  13.182
  525    HB3  ASP  70           3HB      ASP  70   5.517 -10.264  14.203
  526    H    CYS  71           H        CYS  71   2.807  -9.494  16.510
  527    HA   CYS  71           HA       CYS  71   3.995  -6.982  17.633
  528    HG   CYS  71           HG       CYS  71   1.587  -7.054  15.670
  529    HB2  CYS  71           2HB      CYS  71   1.230  -8.196  18.017
  530    HB3  CYS  71           3HB      CYS  71   1.860  -6.824  18.944
  531    H    GLU  72           H        GLU  72   4.418  -6.929  19.834
  532    HA   GLU  72           HA       GLU  72   4.111  -9.326  21.544
  533    HB2  GLU  72           2HB      GLU  72   6.338  -9.527  20.641
  534    HB3  GLU  72           3HB      GLU  72   6.666  -7.811  20.860
  535    HG2  GLU  72           2HG      GLU  72   6.583  -8.097  23.319
  536    HG3  GLU  72           3HG      GLU  72   6.215  -9.809  23.111
  537    H    CYS  73           H        CYS  73   2.733  -8.440  23.078
  538    HA   CYS  73           HA       CYS  73   2.565  -5.626  23.730
  539    HG   CYS  73           HG       CYS  73   2.614  -8.920  25.815
  540    HB2  CYS  73           2HB      CYS  73   1.288  -6.617  25.736
  541    HB3  CYS  73           3HB      CYS  73   0.611  -6.904  24.129
  542    H    LEU  74           H        LEU  74   3.794  -4.460  25.126
  543    HA   LEU  74           HA       LEU  74   5.802  -5.913  26.794
  544    HG   LEU  74           HG       LEU  74   6.307  -4.141  24.020
  545    HB2  LEU  74           2HB      LEU  74   5.666  -2.972  26.040
  546    HB3  LEU  74           3HB      LEU  74   6.932  -3.762  26.973
  547   HD11  LEU  74          1HD1      LEU  74   8.762  -3.112  25.516
  548   HD12  LEU  74          2HD1      LEU  74   8.642  -3.315  23.761
  549   HD13  LEU  74          3HD1      LEU  74   7.611  -2.139  24.581
  550   HD21  LEU  74          3HD2      LEU  74   6.925  -6.357  24.906
  551   HD22  LEU  74          1HD2      LEU  74   8.210  -5.702  23.911
  552   HD23  LEU  74          2HD2      LEU  74   8.364  -5.662  25.686
  553    H    GLY  75           H        GLY  75   2.880  -3.984  26.950
  554    HA2  GLY  75           2HA      GLY  75   2.047  -4.624  29.445
  555    HA3  GLY  75           3HA      GLY  75   3.170  -3.309  29.783
  556    H    GLY  76           H        GLY  76   0.827  -2.496  30.546
  557    HA2  GLY  76           2HA      GLY  76   0.053  -0.508  28.584
  558    HA3  GLY  76           3HA      GLY  76  -1.233  -1.663  28.914
  559    H    GLY  77           H        GLY  77  -2.128   0.554  29.631
  560    HA2  GLY  77           2HA      GLY  77  -2.248   0.880  32.457
  561    HA3  GLY  77           3HA      GLY  77  -1.042   1.991  31.779
  562    H    ARG  78           H        ARG  78  -2.249   3.863  32.113
  563    HA   ARG  78           HA       ARG  78  -4.495   4.335  30.250
  564    HE   ARG  78           HE       ARG  78  -5.948   2.257  34.159
  565    HB2  ARG  78           2HB      ARG  78  -4.640   4.513  33.274
  566    HB3  ARG  78           3HB      ARG  78  -5.509   5.705  32.309
  567    HG2  ARG  78           2HG      ARG  78  -6.829   4.059  31.192
  568    HG3  ARG  78           3HG      ARG  78  -5.899   2.717  31.875
  569    HD2  ARG  78           2HD      ARG  78  -7.487   4.706  33.539
  570    HD3  ARG  78           3HD      ARG  78  -8.134   3.156  32.971
  571   HH11  ARG  78          1HH2      ARG  78  -8.324   4.617  35.465
  572   HH12  ARG  78          2HH2      ARG  78  -7.888   4.220  37.124
  573   HH21  ARG  78          1HH1      ARG  78  -5.576   1.766  36.428
  574   HH22  ARG  78          2HH1      ARG  78  -6.465   2.695  37.611
  575    H    ILE  79           H        ILE  79  -4.877   6.620  29.966
  576    HA   ILE  79           HA       ILE  79  -2.629   8.378  30.717
  577    HB   ILE  79           HB       ILE  79  -3.716   7.939  27.911
  578   HG12  ILE  79          2HG1      ILE  79  -1.105   7.224  29.237
  579   HG13  ILE  79          3HG1      ILE  79  -2.241   6.173  28.404
  580   HG21  ILE  79          1HG2      ILE  79  -2.048   9.634  27.153
  581   HG22  ILE  79          2HG2      ILE  79  -3.227  10.331  28.233
  582   HG23  ILE  79          3HG2      ILE  79  -1.606   9.932  28.844
  583   HD11  ILE  79          3HD1      ILE  79  -1.562   7.175  26.230
  584   HD12  ILE  79          1HD1      ILE  79  -0.349   8.150  27.096
  585   HD13  ILE  79          2HD1      ILE  79  -0.229   6.391  27.095
  586    H    SER  80           H        SER  80  -3.271  10.559  30.827
  587    HA   SER  80           HA       SER  80  -6.043  11.279  30.153
  588    HG   SER  80           HG       SER  80  -4.833  11.679  34.011
  589    HB2  SER  80           2HB      SER  80  -6.246  12.529  32.301
  590    HB3  SER  80           3HB      SER  80  -6.182  10.775  32.506
  591    H    HIS  81           H        HIS  81  -6.196  13.758  30.125
  592    HA   HIS  81           HA       HIS  81  -3.667  15.079  29.398
  593    HD1  HIS  81           HD1      HIS  81  -2.727  16.710  27.617
  594    HD2  HIS  81           HD2      HIS  81  -6.448  16.357  25.671
  595    HE1  HIS  81           HE1      HIS  81  -2.828  18.587  25.906
  596    HB2  HIS  81           2HB      HIS  81  -4.431  14.040  27.318
  597    HB3  HIS  81           3HB      HIS  81  -6.065  14.653  27.567
  598    H    GLN  82           H        GLN  82  -3.778  17.262  29.713
  599    HA   GLN  82           HA       GLN  82  -4.282  19.065  30.891
  600    HB2  GLN  82           2HB      GLN  82  -7.072  18.798  29.722
  601    HB3  GLN  82           3HB      GLN  82  -6.349  20.265  30.404
  602    HG2  GLN  82           2HG      GLN  82  -4.560  20.177  28.651
  603    HG3  GLN  82           3HG      GLN  82  -5.320  18.735  27.991
  604   HE21  GLN  82          2HE2      GLN  82  -5.973  19.383  25.987
  605   HE22  GLN  82          1HE2      GLN  82  -7.079  20.717  25.714
  606    H    SER  83           H        SER  83  -4.308  16.677  32.236
  607    HA   SER  83           HA       SER  83  -6.433  16.149  33.907
  608    HG   SER  83           HG       SER  83  -4.217  13.656  33.057
  609    HB2  SER  83           2HB      SER  83  -3.477  15.646  34.393
  610    HB3  SER  83           3HB      SER  83  -4.840  14.614  34.892
  611    H    GLN  84           H        GLN  84  -3.977  18.606  34.275
  612    HA   GLN  84           HA       GLN  84  -5.077  19.614  36.759
  613    HB2  GLN  84           2HB      GLN  84  -3.580  17.746  37.554
  614    HB3  GLN  84           3HB      GLN  84  -2.215  18.528  36.750
  615    HG2  GLN  84           2HG      GLN  84  -2.444  20.485  38.253
  616    HG3  GLN  84           3HG      GLN  84  -3.898  19.781  38.962
  617   HE21  GLN  84          2HE2      GLN  84  -3.371  19.137  41.043
  618   HE22  GLN  84          1HE2      GLN  84  -1.932  18.247  41.473
  619    H    ASP  85           H        ASP  85  -2.587  19.612  34.222
  620    HA   ASP  85           HA       ASP  85  -2.741  22.518  33.908
  621    HB2  ASP  85           2HB      ASP  85  -0.770  22.140  35.376
  622    HB3  ASP  85           3HB      ASP  85  -0.143  20.949  34.235
  623    H    LYS  86           H        LYS  86  -1.518  22.919  31.691
  624    HA   LYS  86           HA       LYS  86  -2.733  21.240  29.677
  625    HB2  LYS  86           2HB      LYS  86  -0.710  23.511  29.482
  626    HB3  LYS  86           3HB      LYS  86  -1.524  22.785  28.100
  627    HG2  LYS  86           2HG      LYS  86  -2.963  24.213  30.384
  628    HG3  LYS  86           3HG      LYS  86  -2.497  24.955  28.854
  629    HD2  LYS  86           2HD      LYS  86  -3.928  23.373  27.610
  630    HD3  LYS  86           3HD      LYS  86  -4.429  22.611  29.139
  631    HE2  LYS  86           2HE      LYS  86  -5.436  24.670  29.924
  632    HE3  LYS  86           3HE      LYS  86  -4.815  25.571  28.534
  633    HZ1  LYS  86           3HZ      LYS  86  -7.176  24.919  28.335
  634    HZ2  LYS  86           1HZ      LYS  86  -6.265  24.348  27.102
  635    HZ3  LYS  86           2HZ      LYS  86  -6.747  23.328  28.291
  636    H    LYS  87           H        LYS  87  -1.750  19.222  30.496
  637    HA   LYS  87           HA       LYS  87   0.742  18.551  29.044
  638    HB2  LYS  87           2HB      LYS  87   1.703  17.512  30.974
  639    HB3  LYS  87           3HB      LYS  87   1.365  19.185  31.369
  640    HG2  LYS  87           2HG      LYS  87  -0.315  18.659  32.901
  641    HG3  LYS  87           3HG      LYS  87  -0.703  17.105  32.144
  642    HD2  LYS  87           2HD      LYS  87   1.440  16.173  32.855
  643    HD3  LYS  87           3HD      LYS  87   1.879  17.710  33.639
  644    HE2  LYS  87           2HE      LYS  87  -0.112  17.465  35.142
  645    HE3  LYS  87           3HE      LYS  87  -0.495  15.924  34.356
  646    HZ1  LYS  87           3HZ      LYS  87   1.715  15.127  35.097
  647    HZ2  LYS  87           1HZ      LYS  87   1.939  16.522  35.936
  648    HZ3  LYS  87           2HZ      LYS  87   0.728  15.507  36.360
  649    H    ILE  88           H        ILE  88   1.073  16.031  29.645
  650    HA   ILE  88           HA       ILE  88  -1.502  14.560  29.558
  651    HB   ILE  88           HB       ILE  88   1.046  14.106  27.938
  652   HG12  ILE  88          2HG1      ILE  88  -1.804  14.595  26.974
  653   HG13  ILE  88          3HG1      ILE  88  -0.535  15.822  27.018
  654   HG21  ILE  88          1HG2      ILE  88   0.166  11.914  28.721
  655   HG22  ILE  88          2HG2      ILE  88  -1.429  12.327  28.045
  656   HG23  ILE  88          3HG2      ILE  88  -0.024  12.086  26.991
  657   HD11  ILE  88          3HD1      ILE  88  -0.573  13.364  25.246
  658   HD12  ILE  88          1HD1      ILE  88  -0.698  15.063  24.778
  659   HD13  ILE  88          2HD1      ILE  88   0.830  14.449  25.439
  660    H    HIS  89           H        HIS  89  -1.402  12.573  30.765
  661    HA   HIS  89           HA       HIS  89   1.038  12.132  32.385
  662    HD1  HIS  89           HD1      HIS  89   1.890  12.574  34.833
  663    HD2  HIS  89           HD2      HIS  89  -1.754  10.607  35.578
  664    HE1  HIS  89           HE1      HIS  89   2.255  11.136  36.919
  665    HB2  HIS  89           2HB      HIS  89  -0.571  13.559  33.688
  666    HB3  HIS  89           3HB      HIS  89  -1.772  12.269  33.543
  667    H    VAL  90           H        VAL  90   1.348   9.947  32.887
  668    HA   VAL  90           HA       VAL  90  -0.481   7.978  31.598
  669    HB   VAL  90           HB       VAL  90   2.563   8.175  31.467
  670   HG11  VAL  90          1HG1      VAL  90   0.673   6.280  30.036
  671   HG12  VAL  90          2HG1      VAL  90   2.436   6.350  29.843
  672   HG13  VAL  90          3HG1      VAL  90   1.729   5.861  31.390
  673   HG21  VAL  90          3HG2      VAL  90   1.737   9.912  30.032
  674   HG22  VAL  90          1HG2      VAL  90   2.152   8.555  28.980
  675   HG23  VAL  90          2HG2      VAL  90   0.457   8.871  29.384
  676    H    TYR  91           H        TYR  91  -0.889   6.161  32.924
  677    HA   TYR  91           HA       TYR  91   0.810   5.628  35.263
  678    HD1  TYR  91           HD1      TYR  91  -1.915   8.525  34.090
  679    HD2  TYR  91           HD2      TYR  91  -3.282   5.442  36.783
  680    HE1  TYR  91           HE1      TYR  91  -4.249   9.016  33.452
  681    HE2  TYR  91           HE2      TYR  91  -5.619   5.943  36.172
  682    HH   TYR  91           HH       TYR  91  -7.042   7.295  34.914
  683    HB2  TYR  91           2HB      TYR  91  -0.977   6.192  36.866
  684    HB3  TYR  91           3HB      TYR  91  -0.460   7.599  35.978
  685    H    GLY  92           H        GLY  92  -0.469   4.008  36.761
  686    HA2  GLY  92           2HA      GLY  92  -1.956   2.271  37.102
  687    HA3  GLY  92           3HA      GLY  92  -2.569   2.472  35.459
  688    H    TYR  93           H        TYR  93  -2.554   0.160  35.326
  689    HA   TYR  93           HA       TYR  93  -0.255  -0.867  33.986
  690    HD1  TYR  93           HD1      TYR  93  -2.426  -3.925  36.077
  691    HD2  TYR  93           HD2      TYR  93  -0.383  -0.768  38.201
  692    HE1  TYR  93           HE1      TYR  93  -3.830  -4.360  38.059
  693    HE2  TYR  93           HE2      TYR  93  -1.785  -1.205  40.198
  694    HH   TYR  93           HH       TYR  93  -4.308  -3.757  40.261
  695    HB2  TYR  93           2HB      TYR  93  -0.207  -3.002  35.315
  696    HB3  TYR  93           3HB      TYR  93   0.501  -1.616  36.119
  697    H    SER  94           H        SER  94  -0.998  -2.756  32.629
  698    HA   SER  94           HA       SER  94  -3.758  -2.370  31.958
  699    HG   SER  94           HG       SER  94  -0.943  -4.520  30.110
  700    HB2  SER  94           2HB      SER  94  -3.335  -4.320  30.387
  701    HB3  SER  94           3HB      SER  94  -2.350  -2.876  30.176
  702    H    MET  95           H        MET  95  -5.476  -3.845  32.014
  703    HA   MET  95           HA       MET  95  -5.574  -5.723  34.262
  704    HB2  MET  95           2HB      MET  95  -7.597  -5.020  32.080
  705    HB3  MET  95           3HB      MET  95  -7.915  -6.026  33.501
  706    HG2  MET  95           2HG      MET  95  -7.385  -4.096  34.979
  707    HG3  MET  95           3HG      MET  95  -7.118  -3.096  33.556
  708    HE1  MET  95           3HE      MET  95  -9.995  -5.753  34.496
  709    HE2  MET  95           1HE      MET  95  -9.680  -4.760  35.937
  710    HE3  MET  95           2HE      MET  95 -11.223  -4.607  35.069
  711    H    ALA  96           H        ALA  96  -3.561  -6.313  32.211
  712    HA   ALA  96           HA       ALA  96  -4.497  -8.890  31.134
  713    HB1  ALA  96           3HB      ALA  96  -3.866  -8.302  28.829
  714    HB2  ALA  96           1HB      ALA  96  -5.172  -7.248  29.402
  715    HB3  ALA  96           2HB      ALA  96  -3.499  -6.639  29.324
  716    H    TYR  97           H        TYR  97  -1.742  -6.506  31.378
  717    HA   TYR  97           HA       TYR  97   0.097  -8.865  31.294
  718    HD1  TYR  97           HD1      TYR  97  -0.253  -9.722  28.976
  719    HD2  TYR  97           HD2      TYR  97  -0.459  -5.503  28.080
  720    HE1  TYR  97           HE1      TYR  97  -1.629 -10.211  26.980
  721    HE2  TYR  97           HE2      TYR  97  -1.822  -5.980  26.087
  722    HH   TYR  97           HH       TYR  97  -2.809  -7.647  24.776
  723    HB2  TYR  97           2HB      TYR  97   0.655  -6.194  30.009
  724    HB3  TYR  97           3HB      TYR  97   1.537  -7.693  29.812
  725    H    GLY  98           H        GLY  98  -0.036  -5.326  32.179
  726    HA2  GLY  98           2HA      GLY  98   0.903  -5.202  34.687
  727    HA3  GLY  98           3HA      GLY  98   2.370  -5.689  33.822
  728    HA   PRO  99           HA       PRO  99   1.804  -1.013  33.574
  729    HB2  PRO  99           2HB      PRO  99   4.217  -0.263  34.650
  730    HB3  PRO  99           3HB      PRO  99   2.746  -0.573  35.621
  731    HG2  PRO  99           2HG      PRO  99   5.055  -2.459  35.081
  732    HG3  PRO  99           3HG      PRO  99   4.254  -2.103  36.645
  733    HD2  PRO  99           2HD      PRO  99   3.629  -4.302  35.158
  734    HD3  PRO  99           3HD      PRO  99   2.379  -3.423  36.086
  735    H    ALA 100           H        ALA 100   2.594   0.212  31.913
  736    HA   ALA 100           HA       ALA 100   3.903  -1.308  29.838
  737    HB1  ALA 100           3HB      ALA 100   3.119   0.561  28.438
  738    HB2  ALA 100           1HB      ALA 100   1.852   0.225  29.630
  739    HB3  ALA 100           2HB      ALA 100   2.950   1.571  29.892
  740    H    GLN 101           H        GLN 101   5.665  -0.412  31.998
  741    HA   GLN 101           HA       GLN 101   7.424   0.971  32.536
  742    HB2  GLN 101           2HB      GLN 101   8.089  -1.020  30.808
  743    HB3  GLN 101           3HB      GLN 101   8.698   0.352  29.883
  744    HG2  GLN 101           2HG      GLN 101   9.935   1.098  31.960
  745    HG3  GLN 101           3HG      GLN 101   9.312  -0.344  32.783
  746   HE21  GLN 101          2HE2      GLN 101   9.936  -2.522  31.788
  747   HE22  GLN 101          1HE2      GLN 101  11.502  -2.635  31.022
  748    H    HIS 102           H        HIS 102   5.582   2.570  32.074
  749    HA   HIS 102           HA       HIS 102   4.984   4.077  30.058
  750    HD1  HIS 102           HD1      HIS 102   4.460   3.574  34.566
  751    HD2  HIS 102           HD2      HIS 102   2.259   3.604  30.992
  752    HE1  HIS 102           HE1      HIS 102   2.609   1.861  34.846
  753    HB2  HIS 102           2HB      HIS 102   5.333   5.280  32.811
  754    HB3  HIS 102           3HB      HIS 102   4.159   5.742  31.585
  755    H    ALA 103           H        ALA 103   8.080   4.752  31.712
  756    HA   ALA 103           HA       ALA 103   8.591   7.330  30.737
  757    HB1  ALA 103           3HB      ALA 103  10.548   5.016  31.073
  758    HB2  ALA 103           1HB      ALA 103  10.963   6.739  30.982
  759    HB3  ALA 103           2HB      ALA 103  10.028   6.128  32.360
  760    H    ILE 104           H        ILE 104   8.843   4.182  29.052
  761    HA   ILE 104           HA       ILE 104  10.228   5.118  26.713
  762    HB   ILE 104           HB       ILE 104   8.286   2.796  27.142
  763   HG12  ILE 104          2HG1      ILE 104  11.340   2.858  27.063
  764   HG13  ILE 104          3HG1      ILE 104  10.360   2.693  28.518
  765   HG21  ILE 104          1HG2      ILE 104   8.384   3.386  24.742
  766   HG22  ILE 104          2HG2      ILE 104  10.160   3.296  24.785
  767   HG23  ILE 104          3HG2      ILE 104   9.164   1.846  25.033
  768   HD11  ILE 104          3HD1      ILE 104  10.615   0.661  26.278
  769   HD12  ILE 104          1HD1      ILE 104  11.136   0.517  27.959
  770   HD13  ILE 104          2HD1      ILE 104   9.402   0.556  27.579
  771    H    SER 105           H        SER 105   6.731   4.576  27.421
  772    HA   SER 105           HA       SER 105   5.774   5.601  25.006
  773    HG   SER 105           HG       SER 105   4.870   3.456  25.999
  774    HB2  SER 105           2HB      SER 105   4.309   5.706  27.662
  775    HB3  SER 105           3HB      SER 105   3.629   5.472  26.041
  776    H    THR 106           H        THR 106   6.417   7.385  28.142
  777    HA   THR 106           HA       THR 106   5.086   9.709  27.217
  778    HB   THR 106           HB       THR 106   6.396  10.889  29.022
  779    HG1  THR 106           1HG      THR 106   8.236   9.600  29.171
  780   HG21  THR 106          3HG2      THR 106   5.161   9.904  30.781
  781   HG22  THR 106          1HG2      THR 106   4.175   9.677  29.335
  782   HG23  THR 106          2HG2      THR 106   5.090   8.314  29.987
  783    H    GLU 107           H        GLU 107   8.522   8.689  26.796
  784    HA   GLU 107           HA       GLU 107   9.292  11.184  25.638
  785    HB2  GLU 107           2HB      GLU 107  10.404   8.371  25.321
  786    HB3  GLU 107           3HB      GLU 107  11.148   9.806  24.607
  787    HG2  GLU 107           2HG      GLU 107  10.679   9.457  27.601
  788    HG3  GLU 107           3HG      GLU 107  12.182   9.068  26.773
  789    H    LYS 108           H        LYS 108   7.917   8.196  24.245
  790    HA   LYS 108           HA       LYS 108   8.119   9.067  21.495
  791    HB2  LYS 108           2HB      LYS 108   6.517   6.950  22.964
  792    HB3  LYS 108           3HB      LYS 108   6.188   7.308  21.256
  793    HG2  LYS 108           2HG      LYS 108   8.510   6.885  20.654
  794    HG3  LYS 108           3HG      LYS 108   8.936   6.576  22.343
  795    HD2  LYS 108           2HD      LYS 108   7.599   4.584  22.423
  796    HD3  LYS 108           3HD      LYS 108   6.861   4.906  20.841
  797    HE2  LYS 108           2HE      LYS 108   9.872   4.689  21.116
  798    HE3  LYS 108           3HE      LYS 108   8.899   3.216  21.049
  799    HZ1  LYS 108           3HZ      LYS 108   8.510   5.257  18.959
  800    HZ2  LYS 108           1HZ      LYS 108   9.768   4.188  18.858
  801    HZ3  LYS 108           2HZ      LYS 108   8.224   3.658  18.909
  802    H    ILE 109           H        ILE 109   5.441   9.309  23.900
  803    HA   ILE 109           HA       ILE 109   3.636  10.703  22.200
  804    HB   ILE 109           HB       ILE 109   4.014  10.778  25.214
  805   HG12  ILE 109          2HG1      ILE 109   1.783   9.399  23.654
  806   HG13  ILE 109          3HG1      ILE 109   3.289   8.572  23.991
  807   HG21  ILE 109          1HG2      ILE 109   1.634  11.814  23.596
  808   HG22  ILE 109          2HG2      ILE 109   1.745  11.750  25.366
  809   HG23  ILE 109          3HG2      ILE 109   2.793  12.829  24.465
  810   HD11  ILE 109          3HD1      ILE 109   1.359   9.653  26.081
  811   HD12  ILE 109          1HD1      ILE 109   1.687   7.961  25.681
  812   HD13  ILE 109          2HD1      ILE 109   2.948   8.942  26.442
  813    H    LYS 110           H        LYS 110   6.244  11.956  24.405
  814    HA   LYS 110           HA       LYS 110   5.804  14.681  23.837
  815    HB2  LYS 110           2HB      LYS 110   7.184  13.853  25.680
  816    HB3  LYS 110           3HB      LYS 110   8.397  13.227  24.559
  817    HG2  LYS 110           2HG      LYS 110   9.016  15.422  23.823
  818    HG3  LYS 110           3HG      LYS 110   7.617  16.174  24.600
  819    HD2  LYS 110           2HD      LYS 110   9.829  14.756  26.154
  820    HD3  LYS 110           3HD      LYS 110   9.846  16.489  25.765
  821    HE2  LYS 110           2HE      LYS 110   7.649  16.769  26.902
  822    HE3  LYS 110           3HE      LYS 110   7.664  15.064  27.362
  823    HZ1  LYS 110           3HZ      LYS 110   8.408  16.592  29.097
  824    HZ2  LYS 110           1HZ      LYS 110   9.574  15.475  28.731
  825    HZ3  LYS 110           2HZ      LYS 110   9.704  17.028  28.206
  826    H    ALA 111           H        ALA 111   7.863  12.308  22.050
  827    HA   ALA 111           HA       ALA 111   8.940  14.172  20.232
  828    HB1  ALA 111           3HB      ALA 111   8.312  11.221  19.766
  829    HB2  ALA 111           1HB      ALA 111   9.437  12.221  18.828
  830    HB3  ALA 111           2HB      ALA 111   9.785  11.862  20.532
  831    H    LYS 112           H        LYS 112   5.821  12.389  20.119
  832    HA   LYS 112           HA       LYS 112   5.245  13.504  17.447
  833    HB2  LYS 112           2HB      LYS 112   3.658  11.638  19.259
  834    HB3  LYS 112           3HB      LYS 112   3.160  12.120  17.644
  835    HG2  LYS 112           2HG      LYS 112   5.597  10.455  18.395
  836    HG3  LYS 112           3HG      LYS 112   4.153   9.916  17.553
  837    HD2  LYS 112           2HD      LYS 112   6.288  11.788  16.458
  838    HD3  LYS 112           3HD      LYS 112   6.012  10.105  16.015
  839    HE2  LYS 112           2HE      LYS 112   3.760  10.686  15.133
  840    HE3  LYS 112           3HE      LYS 112   4.023  12.380  15.562
  841    HZ1  LYS 112           3HZ      LYS 112   5.640  10.854  13.601
  842    HZ2  LYS 112           1HZ      LYS 112   4.506  11.975  13.235
  843    HZ3  LYS 112           2HZ      LYS 112   5.878  12.428  14.002
  844    H    TYR 113           H        TYR 113   4.478  14.368  20.735
  845    HA   TYR 113           HA       TYR 113   2.636  16.487  19.754
  846    HD1  TYR 113           HD1      TYR 113  -0.280  15.916  19.725
  847    HD2  TYR 113           HD2      TYR 113   2.061  12.546  21.050
  848    HE1  TYR 113           HE1      TYR 113  -1.685  14.410  18.353
  849    HE2  TYR 113           HE2      TYR 113   0.670  11.034  19.653
  850    HH   TYR 113           HH       TYR 113  -2.069  12.202  17.675
  851    HB2  TYR 113           2HB      TYR 113   2.224  14.701  22.184
  852    HB3  TYR 113           3HB      TYR 113   1.211  16.055  21.712
  853    HA   PRO 114           HA       PRO 114   6.131  17.813  22.624
  854    HB2  PRO 114           2HB      PRO 114   7.399  19.687  21.072
  855    HB3  PRO 114           3HB      PRO 114   7.717  17.930  20.947
  856    HG2  PRO 114           2HG      PRO 114   5.844  19.606  19.241
  857    HG3  PRO 114           3HG      PRO 114   7.105  18.455  18.691
  858    HD2  PRO 114           2HD      PRO 114   4.500  17.708  18.883
  859    HD3  PRO 114           3HD      PRO 114   5.822  16.590  19.343
  860    H    ASP 115           H        ASP 115   3.483  19.385  21.074
  861    HA   ASP 115           HA       ASP 115   3.725  22.024  22.118
  862    HB2  ASP 115           2HB      ASP 115   2.274  21.319  20.214
  863    HB3  ASP 115           3HB      ASP 115   1.232  20.461  21.352
  864    H    TYR 116           H        TYR 116   3.150  19.083  23.798
  865    HA   TYR 116           HA       TYR 116   2.102  20.562  26.159
  866    HD1  TYR 116           HD1      TYR 116  -0.386  20.930  26.539
  867    HD2  TYR 116           HD2      TYR 116  -0.247  17.979  23.396
  868    HE1  TYR 116           HE1      TYR 116  -2.387  21.950  25.503
  869    HE2  TYR 116           HE2      TYR 116  -2.252  18.995  22.349
  870    HH   TYR 116           HH       TYR 116  -3.902  21.861  23.732
  871    HB2  TYR 116           2HB      TYR 116   1.246  17.794  25.218
  872    HB3  TYR 116           3HB      TYR 116   0.787  18.541  26.735
  873    H    GLU 117           H        GLU 117   2.841  19.766  28.143
  874    HA   GLU 117           HA       GLU 117   5.370  18.312  28.177
  875    HB2  GLU 117           2HB      GLU 117   4.882  20.121  29.771
  876    HB3  GLU 117           3HB      GLU 117   3.446  19.282  30.337
  877    HG2  GLU 117           2HG      GLU 117   5.233  19.086  31.958
  878    HG3  GLU 117           3HG      GLU 117   4.836  17.501  31.326
  879    H    VAL 118           H        VAL 118   5.565  16.200  29.363
  880    HA   VAL 118           HA       VAL 118   3.082  14.601  29.489
  881    HB   VAL 118           HB       VAL 118   5.579  13.480  28.183
  882   HG11  VAL 118          1HG1      VAL 118   2.665  12.542  28.152
  883   HG12  VAL 118          2HG1      VAL 118   4.048  11.706  27.438
  884   HG13  VAL 118          3HG1      VAL 118   3.930  11.889  29.195
  885   HG21  VAL 118          3HG2      VAL 118   3.150  14.607  26.722
  886   HG22  VAL 118          1HG2      VAL 118   4.817  15.212  26.627
  887   HG23  VAL 118          2HG2      VAL 118   4.434  13.613  25.994
  888    H    THR 119           H        THR 119   3.145  13.159  31.233
  889    HA   THR 119           HA       THR 119   5.664  12.860  32.774
  890    HB   THR 119           HB       THR 119   4.284  13.278  34.864
  891    HG1  THR 119           1HG      THR 119   2.483  14.254  32.910
  892   HG21  THR 119          3HG2      THR 119   5.889  14.931  34.014
  893   HG22  THR 119          1HG2      THR 119   4.596  15.706  33.068
  894   HG23  THR 119          2HG2      THR 119   4.514  15.674  34.846
  895    H    TRP 120           H        TRP 120   5.346  11.128  34.523
  896    HA   TRP 120           HA       TRP 120   3.080   9.400  34.035
  897    HD1  TRP 120           HD1      TRP 120   7.065   9.616  32.230
  898    HE1  TRP 120           HE1      TRP 120   9.359   8.915  33.073
  899    HE3  TRP 120           HE3      TRP 120   5.615   6.035  35.590
  900    HZ2  TRP 120           HZ2      TRP 120  10.460   7.014  34.978
  901    HZ3  TRP 120           HZ3      TRP 120   7.317   4.781  36.893
  902    HH2  TRP 120           HH2      TRP 120   9.736   5.264  36.596
  903    HB2  TRP 120           2HB      TRP 120   4.367   7.352  33.726
  904    HB3  TRP 120           3HB      TRP 120   4.626   8.469  32.418
  905    H    ALA 121           H        ALA 121   2.970   7.592  35.565
  906    HA   ALA 121           HA       ALA 121   4.531   7.752  38.040
  907    HB1  ALA 121           3HB      ALA 121   1.477   7.967  37.971
  908    HB2  ALA 121           1HB      ALA 121   2.465   7.754  39.432
  909    HB3  ALA 121           2HB      ALA 121   2.598   9.247  38.493
  910    H    ASN 122           H        ASN 122   3.777   5.776  39.432
  911    HA   ASN 122           HA       ASN 122   2.764   3.510  37.837
  912    HB2  ASN 122           2HB      ASN 122   5.243   3.603  37.456
  913    HB3  ASN 122           3HB      ASN 122   5.485   3.465  39.202
  914   HD21  ASN 122          2HD2      ASN 122   6.451   1.385  39.282
  915   HD22  ASN 122          1HD2      ASN 122   5.658  -0.055  38.693
  916    H    ASP 123           H        ASP 123   1.470   4.938  39.869
  917    HA   ASP 123           HA       ASP 123   1.114   2.939  41.939
  918    HB2  ASP 123           2HB      ASP 123   2.901   4.313  42.935
  919    HB3  ASP 123           3HB      ASP 123   2.002   5.789  42.573
  920    H    GLY 124           H        GLY 124  -0.898   3.343  43.084
  921    HA2  GLY 124           2HA      GLY 124  -3.096   4.034  43.256
  922    HA3  GLY 124           3HA      GLY 124  -2.788   5.366  42.138
  923    H    TYR 125           H        TYR 125  -5.140   4.125  41.779
  924    HA   TYR 125           HA       TYR 125  -4.888   3.015  39.145
  925    HD1  TYR 125           HD2      TYR 125  -3.603   0.657  38.848
  926    HD2  TYR 125           HD1      TYR 125  -7.891   0.322  39.171
  927    HE1  TYR 125           HE2      TYR 125  -3.649  -0.704  36.784
  928    HE2  TYR 125           HE1      TYR 125  -7.946  -1.022  37.082
  929    HH   TYR 125           HH       TYR 125  -4.951  -1.701  35.183
  930    HB2  TYR 125           2HB      TYR 125  -4.862   1.055  41.011
  931    HB3  TYR 125           3HB      TYR 125  -6.596   1.331  40.974
  Start of MODEL   14
    1    HA   MET   1           HA       MET   1   5.795  -5.542  -5.680
    2    H1   MET   1           H1       MET   1   4.885  -3.973  -7.222
    3    H2   MET   1           H2       MET   1   5.787  -5.089  -8.030
    4    H3   MET   1           H3       MET   1   6.374  -3.567  -7.772
    5    HB2  MET   1           2HB      MET   1   7.752  -6.197  -6.989
    6    HB3  MET   1           3HB      MET   1   8.474  -4.599  -6.778
    7    HG2  MET   1           2HG      MET   1   9.443  -6.305  -5.285
    8    HG3  MET   1           3HG      MET   1   8.738  -4.960  -4.397
    9    HE1  MET   1           3HE      MET   1   9.621  -7.878  -3.205
   10    HE2  MET   1           1HE      MET   1   9.097  -6.467  -2.265
   11    HE3  MET   1           2HE      MET   1   8.327  -8.048  -2.002
   12    H    ALA   2           H        ALA   2   5.580  -4.718  -3.637
   13    HA   ALA   2           HA       ALA   2   6.812  -2.209  -2.863
   14    HB1  ALA   2           3HB      ALA   2   3.764  -2.524  -2.840
   15    HB2  ALA   2           1HB      ALA   2   4.678  -1.206  -2.083
   16    HB3  ALA   2           2HB      ALA   2   4.684  -1.376  -3.844
   17    H    VAL   3           H        VAL   3   6.702  -1.978  -0.502
   18    HA   VAL   3           HA       VAL   3   5.835  -4.300   1.069
   19    HB   VAL   3           HB       VAL   3   8.176  -4.014   2.169
   20   HG11  VAL   3          1HG1      VAL   3   7.946  -5.399  -0.533
   21   HG12  VAL   3          2HG1      VAL   3   9.209  -5.696   0.676
   22   HG13  VAL   3          3HG1      VAL   3   7.526  -6.073   1.054
   23   HG21  VAL   3          3HG2      VAL   3   9.008  -3.043  -0.604
   24   HG22  VAL   3          1HG2      VAL   3   8.932  -2.026   0.856
   25   HG23  VAL   3          2HG2      VAL   3  10.049  -3.392   0.786
   26    H    ALA   4           H        ALA   4   5.597  -3.732   3.301
   27    HA   ALA   4           HA       ALA   4   5.171  -0.898   3.899
   28    HB1  ALA   4           3HB      ALA   4   3.652  -2.623   4.826
   29    HB2  ALA   4           1HB      ALA   4   5.025  -3.389   5.664
   30    HB3  ALA   4           2HB      ALA   4   4.495  -1.757   6.118
   31    H    ASP   5           H        ASP   5   6.214  -0.118   6.069
   32    HA   ASP   5           HA       ASP   5   8.770  -1.292   6.789
   33    HB2  ASP   5           2HB      ASP   5   9.421   0.213   4.906
   34    HB3  ASP   5           3HB      ASP   5   8.643   1.565   5.731
   35    H    LEU   6           H        LEU   6   9.397  -0.489   8.896
   36    HA   LEU   6           HA       LEU   6   7.187   0.041  10.610
   37    HG   LEU   6           HG       LEU   6   9.504  -2.051  10.588
   38    HB2  LEU   6           2HB      LEU   6  10.182   0.300  11.086
   39    HB3  LEU   6           3HB      LEU   6   8.957   0.370  12.349
   40   HD11  LEU   6          1HD1      LEU   6  10.159  -1.485  13.510
   41   HD12  LEU   6          2HD1      LEU   6  10.406  -3.022  12.653
   42   HD13  LEU   6          3HD1      LEU   6  11.319  -1.591  12.169
   43   HD21  LEU   6          3HD2      LEU   6   7.580  -1.660  12.931
   44   HD22  LEU   6          1HD2      LEU   6   7.172  -2.120  11.261
   45   HD23  LEU   6          2HD2      LEU   6   8.053  -3.244  12.285
   46    H    ALA   7           H        ALA   7   9.281   2.308   8.870
   47    HA   ALA   7           HA       ALA   7   8.730   4.584  10.527
   48    HB1  ALA   7           3HB      ALA   7   9.334   4.418   7.543
   49    HB2  ALA   7           1HB      ALA   7   9.450   5.871   8.557
   50    HB3  ALA   7           2HB      ALA   7  10.549   4.501   8.840
   51    H    LEU   8           H        LEU   8   6.824   2.881   8.060
   52    HA   LEU   8           HA       LEU   8   5.018   5.125   7.546
   53    HG   LEU   8           HG       LEU   8   6.620   2.903   5.734
   54    HB2  LEU   8           2HB      LEU   8   4.632   2.151   6.986
   55    HB3  LEU   8           3HB      LEU   8   3.683   3.472   6.323
   56   HD11  LEU   8          1HD1      LEU   8   5.828   2.318   3.501
   57   HD12  LEU   8          2HD1      LEU   8   4.999   1.330   4.709
   58   HD13  LEU   8          3HD1      LEU   8   4.151   2.695   3.956
   59   HD21  LEU   8          3HD2      LEU   8   6.410   4.672   3.995
   60   HD22  LEU   8          1HD2      LEU   8   4.803   5.098   4.632
   61   HD23  LEU   8          2HD2      LEU   8   6.263   5.323   5.626
   62    H    ILE   9           H        ILE   9   5.212   2.425   9.789
   63    HA   ILE   9           HA       ILE   9   2.448   2.444  10.590
   64    HB   ILE   9           HB       ILE   9   4.992   1.188  11.637
   65   HG12  ILE   9          2HG1      ILE   9   2.404  -0.107  10.679
   66   HG13  ILE   9          3HG1      ILE   9   3.621   0.423   9.530
   67   HG21  ILE   9          1HG2      ILE   9   3.578  -0.079  13.286
   68   HG22  ILE   9          2HG2      ILE   9   3.725   1.636  13.670
   69   HG23  ILE   9          3HG2      ILE   9   2.231   1.023  12.924
   70   HD11  ILE   9          3HD1      ILE   9   5.273  -1.074  10.395
   71   HD12  ILE   9          1HD1      ILE   9   4.220  -1.580  11.734
   72   HD13  ILE   9          2HD1      ILE   9   3.785  -1.973  10.060
   73    HA   PRO  10           HA       PRO  10   2.721   6.318  12.862
   74    HB2  PRO  10           2HB      PRO  10   0.486   5.006  14.434
   75    HB3  PRO  10           3HB      PRO  10   0.603   6.694  13.846
   76    HG2  PRO  10           2HG      PRO  10  -0.888   4.882  12.494
   77    HG3  PRO  10           3HG      PRO  10   0.175   6.014  11.595
   78    HD2  PRO  10           2HD      PRO  10   0.671   3.114  12.281
   79    HD3  PRO  10           3HD      PRO  10   1.003   4.001  10.761
   80    H    ASP  11           H        ASP  11   3.939   6.902  14.636
   81    HA   ASP  11           HA       ASP  11   5.162   4.712  16.085
   82    HB2  ASP  11           2HB      ASP  11   6.242   6.847  15.053
   83    HB3  ASP  11           3HB      ASP  11   5.722   7.660  16.538
   84    H    VAL  12           H        VAL  12   2.830   7.219  16.824
   85    HA   VAL  12           HA       VAL  12   2.069   5.944  19.304
   86    HB   VAL  12           HB       VAL  12   3.589   7.431  20.279
   87   HG11  VAL  12          1HG1      VAL  12   4.284   8.846  18.479
   88   HG12  VAL  12          2HG1      VAL  12   2.686   9.636  18.395
   89   HG13  VAL  12          3HG1      VAL  12   3.737   9.867  19.803
   90   HG21  VAL  12          3HG2      VAL  12   2.264   9.035  21.499
   91   HG22  VAL  12          1HG2      VAL  12   0.978   9.002  20.286
   92   HG23  VAL  12          2HG2      VAL  12   1.297   7.570  21.282
   93    H    ASP  13           H        ASP  13  -0.185   6.047  19.399
   94    HA   ASP  13           HA       ASP  13  -1.702   8.004  17.864
   95    HB2  ASP  13           2HB      ASP  13  -1.194   6.407  16.073
   96    HB3  ASP  13           3HB      ASP  13  -1.716   5.060  17.081
   97    H    ILE  14           H        ILE  14  -2.826   8.560  19.677
   98    HA   ILE  14           HA       ILE  14  -4.073   6.436  21.302
   99    HB   ILE  14           HB       ILE  14  -3.515   7.865  23.327
  100   HG12  ILE  14          2HG1      ILE  14  -1.156   8.808  21.630
  101   HG13  ILE  14          3HG1      ILE  14  -2.548   9.826  21.987
  102   HG21  ILE  14          1HG2      ILE  14  -1.295   6.306  21.936
  103   HG22  ILE  14          2HG2      ILE  14  -1.453   6.585  23.691
  104   HG23  ILE  14          3HG2      ILE  14  -2.650   5.609  22.846
  105   HD11  ILE  14          3HD1      ILE  14  -0.776  10.350  23.536
  106   HD12  ILE  14          1HD1      ILE  14  -2.105   9.582  24.424
  107   HD13  ILE  14          2HD1      ILE  14  -0.629   8.659  24.041
  108    H    ASP  15           H        ASP  15  -5.986   6.737  20.394
  109    HA   ASP  15           HA       ASP  15  -7.468   9.246  20.348
  110    HB2  ASP  15           2HB      ASP  15  -8.236   7.569  18.870
  111    HB3  ASP  15           3HB      ASP  15  -8.084   6.309  20.080
  112    H    SER  16           H        SER  16  -6.681   6.726  22.672
  113    HA   SER  16           HA       SER  16  -8.394   7.570  24.810
  114    HG   SER  16           HG       SER  16  -7.234   4.307  25.234
  115    HB2  SER  16           2HB      SER  16  -5.739   6.068  24.845
  116    HB3  SER  16           3HB      SER  16  -6.849   6.234  26.216
  117    H    ASP  17           H        ASP  17  -7.798   9.949  24.050
  118    HA   ASP  17           HA       ASP  17  -5.427  11.141  25.253
  119    HB2  ASP  17           2HB      ASP  17  -6.520  11.965  23.182
  120    HB3  ASP  17           3HB      ASP  17  -7.958  12.381  24.107
  121    H    GLY  18           H        GLY  18  -6.689   9.615  27.184
  122    HA2  GLY  18           2HA      GLY  18  -7.194  11.093  29.457
  123    HA3  GLY  18           3HA      GLY  18  -8.772  10.926  28.658
  124    H    VAL  19           H        VAL  19  -9.078   9.653  30.789
  125    HA   VAL  19           HA       VAL  19  -7.732   7.161  31.099
  126    HB   VAL  19           HB       VAL  19 -10.275   8.075  32.507
  127   HG11  VAL  19          1HG1      VAL  19  -9.710   5.685  32.833
  128   HG12  VAL  19          2HG1      VAL  19  -8.041   6.113  33.256
  129   HG13  VAL  19          3HG1      VAL  19  -9.397   6.586  34.313
  130   HG21  VAL  19          3HG2      VAL  19  -8.601   9.831  32.807
  131   HG22  VAL  19          1HG2      VAL  19  -8.738   8.901  34.294
  132   HG23  VAL  19          2HG2      VAL  19  -7.359   8.634  33.196
  133    H    PHE  20           H        PHE  20  -8.103   6.373  28.915
  134    HA   PHE  20           HA       PHE  20 -10.555   4.686  28.778
  135    HD1  PHE  20           HD1      PHE  20 -12.767   6.011  27.906
  136    HD2  PHE  20           HD2      PHE  20  -9.454   8.491  26.698
  137    HE1  PHE  20           HE1      PHE  20 -14.133   8.044  28.322
  138    HE2  PHE  20           HE2      PHE  20 -10.821  10.515  27.088
  139    HZ   PHE  20           HZ       PHE  20 -13.162  10.304  27.909
  140    HB2  PHE  20           2HB      PHE  20  -9.322   6.136  26.414
  141    HB3  PHE  20           3HB      PHE  20 -10.784   5.171  26.433
  142    H    LYS  21           H        LYS  21  -7.710   4.288  29.512
  143    HA   LYS  21           HA       LYS  21  -6.069   2.759  29.477
  144    HB2  LYS  21           2HB      LYS  21  -8.026   1.079  27.866
  145    HB3  LYS  21           3HB      LYS  21  -6.526   0.494  28.565
  146    HG2  LYS  21           2HG      LYS  21  -7.294   1.048  30.832
  147    HG3  LYS  21           3HG      LYS  21  -8.783   1.756  30.191
  148    HD2  LYS  21           2HD      LYS  21  -9.485  -0.442  29.313
  149    HD3  LYS  21           3HD      LYS  21  -8.006  -1.178  29.959
  150    HE2  LYS  21           2HE      LYS  21  -8.671  -0.363  32.258
  151    HE3  LYS  21           3HE      LYS  21 -10.171   0.261  31.564
  152    HZ1  LYS  21           3HZ      LYS  21 -10.583  -1.853  32.539
  153    HZ2  LYS  21           1HZ      LYS  21 -10.729  -2.045  30.925
  154    HZ3  LYS  21           2HZ      LYS  21  -9.382  -2.590  31.702
  155    H    TYR  22           H        TYR  22  -4.194   2.113  28.386
  156    HA   TYR  22           HA       TYR  22  -4.069   2.338  25.483
  157    HD1  TYR  22           HD2      TYR  22  -2.082   4.238  28.969
  158    HD2  TYR  22           HD1      TYR  22  -0.463   3.457  25.053
  159    HE1  TYR  22           HE2      TYR  22   0.164   3.987  29.959
  160    HE2  TYR  22           HE1      TYR  22   1.792   3.170  26.046
  161    HH   TYR  22           HH       TYR  22   3.085   3.420  27.918
  162    HB2  TYR  22           2HB      TYR  22  -2.751   4.159  25.303
  163    HB3  TYR  22           3HB      TYR  22  -3.431   4.643  26.838
  164    H    VAL  23           H        VAL  23  -2.022   1.381  24.706
  165    HA   VAL  23           HA       VAL  23  -0.832  -0.567  26.608
  166    HB   VAL  23           HB       VAL  23  -1.380  -1.264  23.727
  167   HG11  VAL  23          1HG1      VAL  23  -1.278  -2.959  26.266
  168   HG12  VAL  23          2HG1      VAL  23  -1.433  -3.568  24.604
  169   HG13  VAL  23          3HG1      VAL  23   0.050  -2.764  25.115
  170   HG21  VAL  23          3HG2      VAL  23  -3.446  -1.572  25.929
  171   HG22  VAL  23          1HG2      VAL  23  -3.611  -0.673  24.407
  172   HG23  VAL  23          2HG2      VAL  23  -3.471  -2.434  24.381
  173    H    LEU  24           H        LEU  24   1.318  -1.150  26.122
  174    HA   LEU  24           HA       LEU  24   2.771   0.518  24.114
  175    HG   LEU  24           HG       LEU  24   5.493  -0.909  25.112
  176    HB2  LEU  24           2HB      LEU  24   3.537   1.078  26.374
  177    HB3  LEU  24           3HB      LEU  24   3.679  -0.635  26.781
  178   HD11  LEU  24          1HD1      LEU  24   5.005   0.841  23.488
  179   HD12  LEU  24          2HD1      LEU  24   5.263   2.104  24.708
  180   HD13  LEU  24          3HD1      LEU  24   6.613   1.093  24.162
  181   HD21  LEU  24          3HD2      LEU  24   6.028  -0.427  27.441
  182   HD22  LEU  24          1HD2      LEU  24   7.210   0.331  26.367
  183   HD23  LEU  24          2HD2      LEU  24   5.955   1.329  27.126
  184    H    ILE  25           H        ILE  25   3.370  -0.734  22.406
  185    HA   ILE  25           HA       ILE  25   3.479  -3.697  22.788
  186    HB   ILE  25           HB       ILE  25   2.035  -2.073  20.648
  187   HG12  ILE  25          2HG1      ILE  25   0.781  -4.032  22.612
  188   HG13  ILE  25          3HG1      ILE  25   0.870  -2.310  22.935
  189   HG21  ILE  25          1HG2      ILE  25   2.981  -4.035  19.606
  190   HG22  ILE  25          2HG2      ILE  25   2.438  -5.078  20.937
  191   HG23  ILE  25          3HG2      ILE  25   1.272  -4.345  19.813
  192   HD11  ILE  25          3HD1      ILE  25  -1.315  -2.905  22.031
  193   HD12  ILE  25          1HD1      ILE  25  -0.449  -1.732  21.028
  194   HD13  ILE  25          2HD1      ILE  25  -0.575  -3.430  20.517
  195    H    ARG  26           H        ARG  26   5.117  -4.673  21.670
  196    HA   ARG  26           HA       ARG  26   6.990  -2.975  20.110
  197    HE   ARG  26           HE       ARG  26  10.647  -3.910  21.489
  198    HB2  ARG  26           2HB      ARG  26   7.962  -4.382  21.846
  199    HB3  ARG  26           3HB      ARG  26   7.183  -5.819  21.187
  200    HG2  ARG  26           2HG      ARG  26   8.514  -5.705  19.152
  201    HG3  ARG  26           3HG      ARG  26   9.181  -4.129  19.614
  202    HD2  ARG  26           2HD      ARG  26   9.598  -6.709  21.164
  203    HD3  ARG  26           3HD      ARG  26  10.752  -6.017  20.015
  204   HH11  ARG  26          1HH2      ARG  26  10.120  -7.132  23.045
  205   HH12  ARG  26          2HH2      ARG  26  10.962  -6.658  24.472
  206   HH21  ARG  26          1HH1      ARG  26  11.432  -3.292  23.296
  207   HH22  ARG  26          2HH1      ARG  26  11.690  -4.336  24.695
  208    H    VAL  27           H        VAL  27   7.272  -3.431  17.914
  209    HA   VAL  27           HA       VAL  27   5.422  -5.382  16.684
  210    HB   VAL  27           HB       VAL  27   4.385  -3.224  16.481
  211   HG11  VAL  27          1HG1      VAL  27   5.410  -1.325  15.263
  212   HG12  VAL  27          2HG1      VAL  27   6.236  -1.677  16.785
  213   HG13  VAL  27          3HG1      VAL  27   6.968  -2.183  15.250
  214   HG21  VAL  27          3HG2      VAL  27   4.223  -4.731  14.554
  215   HG22  VAL  27          1HG2      VAL  27   4.194  -3.028  14.059
  216   HG23  VAL  27          2HG2      VAL  27   5.668  -3.981  13.826
  217    H    HIS  28           H        HIS  28   6.311  -6.486  14.994
  218    HA   HIS  28           HA       HIS  28   9.247  -6.212  14.513
  219    HD1  HIS  28           HD1      HIS  28  10.615  -7.669  16.729
  220    HD2  HIS  28           HD2      HIS  28   6.638  -8.987  17.080
  221    HE1  HIS  28           HE1      HIS  28  10.252  -8.262  19.200
  222    HB2  HIS  28           2HB      HIS  28   7.543  -8.742  14.635
  223    HB3  HIS  28           3HB      HIS  28   9.288  -8.645  14.432
  224    H    SER  29           H        SER  29   9.729  -6.124  12.328
  225    HA   SER  29           HA       SER  29   7.465  -6.007  10.483
  226    HG   SER  29           HG       SER  29  10.945  -5.393  11.082
  227    HB2  SER  29           2HB      SER  29   9.168  -5.272   8.840
  228    HB3  SER  29           3HB      SER  29   9.101  -4.282  10.296
  229    H    ALA  30           H        ALA  30   7.073  -7.288   8.740
  230    HA   ALA  30           HA       ALA  30   8.915  -9.297   7.798
  231    HB1  ALA  30           3HB      ALA  30   6.236 -10.169   8.970
  232    HB2  ALA  30           1HB      ALA  30   7.317 -11.168   7.960
  233    HB3  ALA  30           2HB      ALA  30   7.858 -10.622   9.562
  234    HA   PRO  31           HA       PRO  31   5.998  -6.500   5.414
  235    HB2  PRO  31           2HB      PRO  31   8.311  -6.190   3.545
  236    HB3  PRO  31           3HB      PRO  31   7.273  -4.943   4.282
  237    HG2  PRO  31           2HG      PRO  31   9.831  -5.372   5.155
  238    HG3  PRO  31           3HG      PRO  31   8.506  -4.941   6.281
  239    HD2  PRO  31           2HD      PRO  31   9.653  -7.693   5.722
  240    HD3  PRO  31           3HD      PRO  31   9.239  -6.939   7.267
  241    H    ARG  32           H        ARG  32   4.741  -6.995   3.630
  242    HA   ARG  32           HA       ARG  32   3.671  -8.390   2.235
  243    HE   ARG  32           HE       ARG  32   4.282  -9.355  -3.151
  244    HB2  ARG  32           2HB      ARG  32   5.588  -7.253   0.894
  245    HB3  ARG  32           3HB      ARG  32   6.317  -8.862   0.834
  246    HG2  ARG  32           2HG      ARG  32   4.196  -9.683  -0.285
  247    HG3  ARG  32           3HG      ARG  32   3.560  -8.030  -0.190
  248    HD2  ARG  32           2HD      ARG  32   5.576  -7.267  -1.536
  249    HD3  ARG  32           3HD      ARG  32   6.032  -8.961  -1.709
  250   HH11  ARG  32          1HH2      ARG  32   4.127  -5.972  -2.018
  251   HH12  ARG  32          2HH2      ARG  32   2.802  -5.550  -3.045
  252   HH21  ARG  32          1HH1      ARG  32   2.604  -8.744  -4.609
  253   HH22  ARG  32          2HH1      ARG  32   1.987  -7.133  -4.617
  254    H    SER  33           H        SER  33   4.823  -9.688   4.667
  255    HA   SER  33           HA       SER  33   5.159 -11.644   5.618
  256    HG   SER  33           HG       SER  33   1.735 -12.241   4.815
  257    HB2  SER  33           2HB      SER  33   3.455 -12.785   3.378
  258    HB3  SER  33           3HB      SER  33   3.680 -13.451   5.006
  259    H    GLY  34           H        GLY  34   7.254 -10.868   3.632
  260    HA2  GLY  34           2HA      GLY  34   8.777 -13.275   3.795
  261    HA3  GLY  34           3HA      GLY  34   8.103 -13.152   2.170
  262    H    ALA  35           H        ALA  35   8.695  -9.938   3.085
  263    HA   ALA  35           HA       ALA  35  10.953  -9.704   1.366
  264    HB1  ALA  35           3HB      ALA  35   9.332  -7.874   1.848
  265    HB2  ALA  35           1HB      ALA  35   9.948  -7.802   3.516
  266    HB3  ALA  35           2HB      ALA  35  11.007  -7.370   2.166
  267    HA   PRO  36           HA       PRO  36  14.196 -10.666   4.273
  268    HB2  PRO  36           2HB      PRO  36  16.403  -9.605   3.093
  269    HB3  PRO  36           3HB      PRO  36  15.439 -10.891   2.320
  270    HG2  PRO  36           2HG      PRO  36  15.223  -7.897   1.839
  271    HG3  PRO  36           3HG      PRO  36  15.426  -9.199   0.620
  272    HD2  PRO  36           2HD      PRO  36  12.974  -8.189   1.273
  273    HD3  PRO  36           3HD      PRO  36  13.202  -9.918   0.875
  274    H    ALA  37           H        ALA  37  12.728  -9.007   5.644
  275    HA   ALA  37           HA       ALA  37  14.642  -7.198   6.968
  276    HB1  ALA  37           3HB      ALA  37  11.846  -6.348   6.086
  277    HB2  ALA  37           1HB      ALA  37  12.913  -5.422   7.160
  278    HB3  ALA  37           2HB      ALA  37  13.383  -5.694   5.467
  279    H    ALA  38           H        ALA  38  14.363  -7.228   9.161
  280    HA   ALA  38           HA       ALA  38  11.999  -8.426  10.415
  281    HB1  ALA  38           3HB      ALA  38  13.338 -10.131  11.589
  282    HB2  ALA  38           1HB      ALA  38  13.444 -10.371   9.837
  283    HB3  ALA  38           2HB      ALA  38  14.799  -9.618  10.716
  284    H    GLU  39           H        GLU  39  13.127  -5.767  10.336
  285    HA   GLU  39           HA       GLU  39  14.546  -5.190  12.828
  286    HB2  GLU  39           2HB      GLU  39  12.978  -3.411  10.899
  287    HB3  GLU  39           3HB      GLU  39  13.958  -2.834  12.243
  288    HG2  GLU  39           2HG      GLU  39  14.968  -4.311   9.773
  289    HG3  GLU  39           3HG      GLU  39  15.144  -2.598  10.116
  290    H    SER  40           H        SER  40  13.422  -3.791  14.529
  291    HA   SER  40           HA       SER  40  10.507  -4.201  14.741
  292    HG   SER  40           HG       SER  40  12.583  -6.461  15.332
  293    HB2  SER  40           2HB      SER  40  12.400  -4.885  17.017
  294    HB3  SER  40           3HB      SER  40  10.651  -5.120  16.965
  295    H    LYS  41           H        LYS  41   9.581  -2.811  16.458
  296    HA   LYS  41           HA       LYS  41  11.264  -0.850  17.750
  297    HB2  LYS  41           2HB      LYS  41  10.324   1.151  16.926
  298    HB3  LYS  41           3HB      LYS  41  10.889   0.263  15.522
  299    HG2  LYS  41           2HG      LYS  41   8.592  -0.337  14.907
  300    HG3  LYS  41           3HG      LYS  41   7.964   0.329  16.422
  301    HD2  LYS  41           2HD      LYS  41   8.841   2.577  15.781
  302    HD3  LYS  41           3HD      LYS  41   9.310   1.917  14.203
  303    HE2  LYS  41           2HE      LYS  41   6.941   1.373  13.721
  304    HE3  LYS  41           3HE      LYS  41   6.483   1.914  15.351
  305    HZ1  LYS  41           3HZ      LYS  41   7.271   4.132  14.754
  306    HZ2  LYS  41           1HZ      LYS  41   7.572   3.595  13.204
  307    HZ3  LYS  41           2HZ      LYS  41   6.056   3.630  13.706
  308    H    GLU  42           H        GLU  42   9.670   0.699  19.076
  309    HA   GLU  42           HA       GLU  42   7.411  -0.954  20.111
  310    HB2  GLU  42           2HB      GLU  42   8.960   1.378  21.318
  311    HB3  GLU  42           3HB      GLU  42   7.437   0.774  21.947
  312    HG2  GLU  42           2HG      GLU  42   9.063  -0.258  23.275
  313    HG3  GLU  42           3HG      GLU  42   8.432  -1.500  22.204
  314    H    ILE  43           H        ILE  43   5.371   0.110  20.402
  315    HA   ILE  43           HA       ILE  43   4.915   2.714  19.110
  316    HB   ILE  43           HB       ILE  43   2.818   1.739  18.086
  317   HG12  ILE  43          2HG1      ILE  43   4.217  -0.957  18.306
  318   HG13  ILE  43          3HG1      ILE  43   2.886  -0.446  19.343
  319   HG21  ILE  43          1HG2      ILE  43   4.826   2.405  16.794
  320   HG22  ILE  43          2HG2      ILE  43   5.425   0.735  16.899
  321   HG23  ILE  43          3HG2      ILE  43   3.924   1.094  16.021
  322   HD11  ILE  43          3HD1      ILE  43   1.413  -0.221  17.361
  323   HD12  ILE  43          1HD1      ILE  43   2.729  -0.840  16.331
  324   HD13  ILE  43          2HD1      ILE  43   2.035  -1.865  17.598
  325    H    VAL  44           H        VAL  44   3.129   3.791  19.970
  326    HA   VAL  44           HA       VAL  44   2.038   2.692  22.539
  327    HB   VAL  44           HB       VAL  44   2.261   5.568  21.556
  328   HG11  VAL  44          1HG1      VAL  44   0.501   5.129  23.318
  329   HG12  VAL  44          2HG1      VAL  44   1.800   4.568  24.382
  330   HG13  VAL  44          3HG1      VAL  44   1.773   6.247  23.828
  331   HG21  VAL  44          3HG2      VAL  44   4.089   5.871  23.183
  332   HG22  VAL  44          1HG2      VAL  44   4.099   4.113  23.493
  333   HG23  VAL  44          2HG2      VAL  44   4.536   4.759  21.894
  334    H    ARG  45           H        ARG  45  -0.153   2.155  22.459
  335    HA   ARG  45           HA       ARG  45  -1.838   3.272  20.237
  336    HE   ARG  45           HE       ARG  45  -0.632   3.270  18.664
  337    HB2  ARG  45           2HB      ARG  45  -1.686   0.412  21.311
  338    HB3  ARG  45           3HB      ARG  45  -2.868   0.979  20.147
  339    HG2  ARG  45           2HG      ARG  45   0.145   0.858  19.622
  340    HG3  ARG  45           3HG      ARG  45  -1.000  -0.386  19.204
  341    HD2  ARG  45           2HD      ARG  45  -0.879   0.678  17.198
  342    HD3  ARG  45           3HD      ARG  45  -2.273   1.515  17.888
  343   HH11  ARG  45          1HH2      ARG  45   0.042   1.524  15.591
  344   HH12  ARG  45          2HH2      ARG  45   1.452   2.510  15.277
  345   HH21  ARG  45          1HH1      ARG  45   1.187   4.392  18.209
  346   HH22  ARG  45          2HH1      ARG  45   2.071   4.159  16.702
  347    H    GLY  46           H        GLY  46  -4.039   3.679  20.904
  348    HA2  GLY  46           2HA      GLY  46  -5.109   2.469  23.265
  349    HA3  GLY  46           3HA      GLY  46  -4.603   4.127  23.616
  350    H    TYR  47           H        TYR  47  -7.278   2.417  22.826
  351    HA   TYR  47           HA       TYR  47  -8.500   4.746  21.477
  352    HD1  TYR  47           HD1      TYR  47  -8.086   4.815  18.410
  353    HD2  TYR  47           HD2      TYR  47  -6.701   1.125  20.149
  354    HE1  TYR  47           HE1      TYR  47  -6.089   4.890  16.956
  355    HE2  TYR  47           HE2      TYR  47  -4.724   1.156  18.644
  356    HH   TYR  47           HH       TYR  47  -4.093   3.891  16.390
  357    HB2  TYR  47           2HB      TYR  47  -8.964   1.905  20.547
  358    HB3  TYR  47           3HB      TYR  47  -9.575   3.394  19.827
  359    H    LYS  48           H        LYS  48 -10.492   5.221  22.214
  360    HA   LYS  48           HA       LYS  48 -11.181   3.942  24.667
  361    HB2  LYS  48           2HB      LYS  48 -12.708   5.723  24.985
  362    HB3  LYS  48           3HB      LYS  48 -11.321   6.400  24.131
  363    HG2  LYS  48           2HG      LYS  48 -12.737   6.059  21.966
  364    HG3  LYS  48           3HG      LYS  48 -14.104   5.795  23.045
  365    HD2  LYS  48           2HD      LYS  48 -12.342   8.278  22.894
  366    HD3  LYS  48           3HD      LYS  48 -13.971   8.143  22.257
  367    HE2  LYS  48           2HE      LYS  48 -13.215   7.943  25.215
  368    HE3  LYS  48           3HE      LYS  48 -13.815   9.393  24.417
  369    HZ1  LYS  48           3HZ      LYS  48 -15.334   6.868  24.705
  370    HZ2  LYS  48           1HZ      LYS  48 -15.587   8.260  25.539
  371    HZ3  LYS  48           2HZ      LYS  48 -15.873   8.222  23.924
  372    H    TRP  49           H        TRP  49 -12.199   3.009  21.530
  373    HA   TRP  49           HA       TRP  49 -14.838   2.092  22.291
  374    HD1  TRP  49           HD1      TRP  49 -12.872   3.263  18.474
  375    HE1  TRP  49           HE1      TRP  49 -10.645   2.539  17.462
  376    HE3  TRP  49           HE3      TRP  49 -12.273  -1.262  20.868
  377    HZ2  TRP  49           HZ2      TRP  49  -8.701   0.470  17.866
  378    HZ3  TRP  49           HZ3      TRP  49 -10.165  -2.503  20.626
  379    HH2  TRP  49           HH2      TRP  49  -8.342  -1.623  19.182
  380    HB2  TRP  49           2HB      TRP  49 -14.568   0.587  20.260
  381    HB3  TRP  49           3HB      TRP  49 -14.598   2.317  20.014
  382    H    ALA  50           H        ALA  50 -11.589   0.886  22.930
  383    HA   ALA  50           HA       ALA  50 -12.405  -1.843  23.429
  384    HB1  ALA  50           3HB      ALA  50 -10.157  -1.995  24.468
  385    HB2  ALA  50           1HB      ALA  50 -10.082  -1.224  22.874
  386    HB3  ALA  50           2HB      ALA  50  -9.974  -0.235  24.350
  387    H    GLU  51           H        GLU  51 -12.384  -2.834  25.492
  388    HA   GLU  51           HA       GLU  51 -13.056  -1.082  27.833
  389    HB2  GLU  51           2HB      GLU  51 -13.995  -3.903  27.175
  390    HB3  GLU  51           3HB      GLU  51 -14.306  -3.056  28.696
  391    HG2  GLU  51           2HG      GLU  51 -15.494  -1.256  27.444
  392    HG3  GLU  51           3HG      GLU  51 -15.256  -2.152  25.944
  393    H    TYR  52           H        TYR  52 -10.797  -3.367  26.539
  394    HA   TYR  52           HA       TYR  52  -9.284  -3.427  29.046
  395    HD1  TYR  52           HD1      TYR  52  -9.384  -5.504  31.149
  396    HD2  TYR  52           HD2      TYR  52 -12.524  -5.903  28.208
  397    HE1  TYR  52           HE1      TYR  52 -11.046  -5.846  32.963
  398    HE2  TYR  52           HE2      TYR  52 -14.175  -6.250  30.007
  399    HH   TYR  52           HH       TYR  52 -14.521  -6.391  32.306
  400    HB2  TYR  52           2HB      TYR  52 -10.161  -5.935  27.538
  401    HB3  TYR  52           3HB      TYR  52  -8.887  -5.900  28.744
  402    H    HIS  53           H        HIS  53  -7.063  -3.786  28.641
  403    HA   HIS  53           HA       HIS  53  -5.997  -2.708  26.325
  404    HD2  HIS  53           HD2      HIS  53  -3.574  -1.064  28.054
  405    HE1  HIS  53           HE1      HIS  53  -5.825  -1.291  31.647
  406    HE2  HIS  53           HE2      HIS  53  -4.270   0.191  30.231
  407    HB2  HIS  53           2HB      HIS  53  -4.689  -4.657  28.265
  408    HB3  HIS  53           3HB      HIS  53  -3.848  -3.525  27.212
  409    H    ALA  54           H        ALA  54  -6.759  -6.117  26.994
  410    HA   ALA  54           HA       ALA  54  -5.294  -7.293  24.896
  411    HB1  ALA  54           3HB      ALA  54  -7.940  -8.166  26.136
  412    HB2  ALA  54           1HB      ALA  54  -6.849  -9.182  25.172
  413    HB3  ALA  54           2HB      ALA  54  -6.312  -8.567  26.748
  414    H    ASP  55           H        ASP  55  -8.432  -5.549  24.793
  415    HA   ASP  55           HA       ASP  55  -9.157  -6.635  22.192
  416    HB2  ASP  55           2HB      ASP  55 -10.753  -5.624  23.914
  417    HB3  ASP  55           3HB      ASP  55 -10.112  -4.048  23.469
  418    H    ILE  56           H        ILE  56  -7.444  -3.756  23.388
  419    HA   ILE  56           HA       ILE  56  -7.114  -2.462  20.836
  420    HB   ILE  56           HB       ILE  56  -5.436  -2.297  23.367
  421   HG12  ILE  56          2HG1      ILE  56  -7.548  -0.335  22.398
  422   HG13  ILE  56          3HG1      ILE  56  -7.846  -1.612  23.580
  423   HG21  ILE  56          1HG2      ILE  56  -5.425  -0.596  20.840
  424   HG22  ILE  56          2HG2      ILE  56  -4.639  -0.090  22.345
  425   HG23  ILE  56          3HG2      ILE  56  -4.079  -1.534  21.511
  426   HD11  ILE  56          3HD1      ILE  56  -5.880   0.648  24.010
  427   HD12  ILE  56          1HD1      ILE  56  -7.488   0.489  24.723
  428   HD13  ILE  56          2HD1      ILE  56  -6.219  -0.680  25.134
  429    H    TYR  57           H        TYR  57  -5.034  -4.689  22.789
  430    HA   TYR  57           HA       TYR  57  -2.895  -4.816  20.963
  431    HD1  TYR  57           HD2      TYR  57  -0.610  -5.606  21.721
  432    HD2  TYR  57           HD1      TYR  57  -3.130  -9.040  22.382
  433    HE1  TYR  57           HE2      TYR  57   1.276  -7.098  21.138
  434    HE2  TYR  57           HE1      TYR  57  -1.240 -10.540  21.821
  435    HH   TYR  57           HH       TYR  57   1.024 -10.661  21.197
  436    HB2  TYR  57           2HB      TYR  57  -2.781  -5.618  23.276
  437    HB3  TYR  57           3HB      TYR  57  -3.945  -6.889  22.913
  438    H    ASP  58           H        ASP  58  -5.868  -6.880  21.136
  439    HA   ASP  58           HA       ASP  58  -5.138  -8.628  19.022
  440    HB2  ASP  58           2HB      ASP  58  -6.949  -9.140  20.561
  441    HB3  ASP  58           3HB      ASP  58  -7.873  -7.743  20.003
  442    H    LYS  59           H        LYS  59  -7.037  -5.558  18.974
  443    HA   LYS  59           HA       LYS  59  -7.580  -5.594  16.187
  444    HB2  LYS  59           2HB      LYS  59  -8.608  -4.079  17.985
  445    HB3  LYS  59           3HB      LYS  59  -7.121  -3.144  17.946
  446    HG2  LYS  59           2HG      LYS  59  -8.642  -1.965  16.568
  447    HG3  LYS  59           3HG      LYS  59  -7.507  -2.734  15.473
  448    HD2  LYS  59           2HD      LYS  59  -9.731  -2.902  14.568
  449    HD3  LYS  59           3HD      LYS  59  -9.199  -4.529  15.015
  450    HE2  LYS  59           2HE      LYS  59 -10.515  -4.389  17.120
  451    HE3  LYS  59           3HE      LYS  59 -10.986  -2.732  16.726
  452    HZ1  LYS  59           3HZ      LYS  59 -12.157  -3.591  14.793
  453    HZ2  LYS  59           1HZ      LYS  59 -11.709  -5.140  15.161
  454    HZ3  LYS  59           2HZ      LYS  59 -12.709  -4.309  16.159
  455    H    VAL  60           H        VAL  60  -4.868  -4.121  18.010
  456    HA   VAL  60           HA       VAL  60  -3.543  -2.990  15.753
  457    HB   VAL  60           HB       VAL  60  -2.606  -3.838  18.526
  458   HG11  VAL  60          1HG1      VAL  60  -0.613  -3.765  17.082
  459   HG12  VAL  60          2HG1      VAL  60  -1.076  -2.167  16.477
  460   HG13  VAL  60          3HG1      VAL  60  -0.618  -2.398  18.185
  461   HG21  VAL  60          3HG2      VAL  60  -3.060  -1.027  17.426
  462   HG22  VAL  60          1HG2      VAL  60  -4.337  -1.926  18.239
  463   HG23  VAL  60          2HG2      VAL  60  -2.876  -1.544  19.127
  464    H    SER  61           H        SER  61  -3.184  -6.234  17.350
  465    HA   SER  61           HA       SER  61  -1.041  -7.101  15.709
  466    HG   SER  61           HG       SER  61  -2.211  -7.555  18.555
  467    HB2  SER  61           2HB      SER  61  -3.246  -8.758  17.008
  468    HB3  SER  61           3HB      SER  61  -1.678  -9.353  16.424
  469    H    GLY  62           H        GLY  62  -4.622  -7.370  15.255
  470    HA2  GLY  62           2HA      GLY  62  -4.557  -8.844  12.831
  471    HA3  GLY  62           3HA      GLY  62  -5.846  -7.741  13.363
  472    H    ASP  63           H        ASP  63  -4.585  -5.264  13.406
  473    HA   ASP  63           HA       ASP  63  -4.550  -4.545  10.650
  474    HB2  ASP  63           2HB      ASP  63  -5.093  -2.966  12.484
  475    HB3  ASP  63           3HB      ASP  63  -3.400  -2.980  12.989
  476    H    MET  64           H        MET  64  -1.841  -5.059  12.983
  477    HA   MET  64           HA       MET  64   0.208  -4.345  11.168
  478    HB2  MET  64           2HB      MET  64   0.171  -6.119  13.644
  479    HB3  MET  64           3HB      MET  64   1.635  -5.859  12.704
  480    HG2  MET  64           2HG      MET  64  -0.005  -3.717  14.084
  481    HG3  MET  64           3HG      MET  64   1.587  -4.297  14.554
  482    HE1  MET  64           3HE      MET  64   0.786  -0.641  12.301
  483    HE2  MET  64           1HE      MET  64  -0.465  -1.848  12.651
  484    HE3  MET  64           2HE      MET  64   0.523  -1.182  13.978
  485    H    GLN  65           H        GLN  65  -1.429  -7.510  11.668
  486    HA   GLN  65           HA       GLN  65   0.319  -8.943   9.910
  487    HB2  GLN  65           2HB      GLN  65  -2.561  -9.353  10.783
  488    HB3  GLN  65           3HB      GLN  65  -1.720 -10.496   9.733
  489    HG2  GLN  65           2HG      GLN  65  -0.476  -9.641  12.377
  490    HG3  GLN  65           3HG      GLN  65  -1.720 -10.884  12.327
  491   HE21  GLN  65          2HE2      GLN  65   1.636 -10.098  11.459
  492   HE22  GLN  65          1HE2      GLN  65   2.062 -11.757  11.025
  493    H    LYS  66           H        LYS  66  -2.548  -6.874   9.250
  494    HA   LYS  66           HA       LYS  66  -2.521  -7.462   6.412
  495    HB2  LYS  66           2HB      LYS  66  -3.647  -5.042   7.902
  496    HB3  LYS  66           3HB      LYS  66  -3.887  -5.400   6.192
  497    HG2  LYS  66           2HG      LYS  66  -5.029  -7.510   6.752
  498    HG3  LYS  66           3HG      LYS  66  -4.785  -7.204   8.481
  499    HD2  LYS  66           2HD      LYS  66  -6.114  -5.118   8.312
  500    HD3  LYS  66           3HD      LYS  66  -6.377  -5.433   6.578
  501    HE2  LYS  66           2HE      LYS  66  -7.461  -7.597   7.148
  502    HE3  LYS  66           3HE      LYS  66  -7.209  -7.271   8.868
  503    HZ1  LYS  66           3HZ      LYS  66  -8.889  -5.641   7.050
  504    HZ2  LYS  66           1HZ      LYS  66  -9.444  -6.701   8.168
  505    HZ3  LYS  66           2HZ      LYS  66  -8.654  -5.340   8.653
  506    H    GLN  67           H        GLN  67  -0.702  -5.187   8.479
  507    HA   GLN  67           HA       GLN  67   0.330  -3.656   6.251
  508    HB2  GLN  67           2HB      GLN  67   1.661  -4.052   8.972
  509    HB3  GLN  67           3HB      GLN  67   2.043  -2.827   7.783
  510    HG2  GLN  67           2HG      GLN  67  -0.481  -3.018   9.444
  511    HG3  GLN  67           3HG      GLN  67   0.814  -1.866   9.629
  512   HE21  GLN  67          2HE2      GLN  67  -1.976  -1.233   9.337
  513   HE22  GLN  67          1HE2      GLN  67  -2.134  -0.325   7.844
  514    H    GLY  68           H        GLY  68   1.489  -6.438   8.107
  515    HA2  GLY  68           2HA      GLY  68   2.849  -8.198   6.985
  516    HA3  GLY  68           3HA      GLY  68   3.754  -6.890   6.193
  517    H    CYS  69           H        CYS  69   2.525  -7.307   9.579
  518    HA   CYS  69           HA       CYS  69   5.234  -7.375  10.698
  519    HG   CYS  69           HG       CYS  69   5.023  -5.109   9.125
  520    HB2  CYS  69           2HB      CYS  69   3.129  -5.208  11.189
  521    HB3  CYS  69           3HB      CYS  69   4.449  -5.543  12.324
  522    H    ASP  70           H        ASP  70   4.978  -7.729  13.142
  523    HA   ASP  70           HA       ASP  70   2.440  -9.002  14.001
  524    HB2  ASP  70           2HB      ASP  70   3.871 -10.824  13.114
  525    HB3  ASP  70           3HB      ASP  70   5.186 -10.300  14.171
  526    H    CYS  71           H        CYS  71   2.644  -9.369  16.509
  527    HA   CYS  71           HA       CYS  71   4.044  -6.979  17.636
  528    HG   CYS  71           HG       CYS  71   1.551  -6.831  15.733
  529    HB2  CYS  71           2HB      CYS  71   1.186  -7.924  18.085
  530    HB3  CYS  71           3HB      CYS  71   1.975  -6.618  18.983
  531    H    GLU  72           H        GLU  72   4.248  -6.935  19.928
  532    HA   GLU  72           HA       GLU  72   3.921  -9.383  21.536
  533    HB2  GLU  72           2HB      GLU  72   6.168  -9.650  20.732
  534    HB3  GLU  72           3HB      GLU  72   6.530  -7.936  20.915
  535    HG2  GLU  72           2HG      GLU  72   6.421  -8.155  23.376
  536    HG3  GLU  72           3HG      GLU  72   6.022  -9.864  23.211
  537    H    CYS  73           H        CYS  73   2.652  -8.520  23.224
  538    HA   CYS  73           HA       CYS  73   2.562  -5.671  23.748
  539    HG   CYS  73           HG       CYS  73  -0.194  -6.282  26.481
  540    HB2  CYS  73           2HB      CYS  73   0.662  -7.313  24.193
  541    HB3  CYS  73           3HB      CYS  73   1.612  -7.908  25.582
  542    H    LEU  74           H        LEU  74   3.618  -4.482  25.324
  543    HA   LEU  74           HA       LEU  74   5.680  -5.896  26.966
  544    HG   LEU  74           HG       LEU  74   6.133  -4.153  24.153
  545    HB2  LEU  74           2HB      LEU  74   5.568  -2.959  26.201
  546    HB3  LEU  74           3HB      LEU  74   6.848  -3.774  27.091
  547   HD11  LEU  74          1HD1      LEU  74   8.432  -3.260  23.810
  548   HD12  LEU  74          2HD1      LEU  74   7.391  -2.103  24.637
  549   HD13  LEU  74          3HD1      LEU  74   8.604  -3.023  25.557
  550   HD21  LEU  74          3HD2      LEU  74   6.853  -6.342  25.060
  551   HD22  LEU  74          1HD2      LEU  74   8.070  -5.666  24.001
  552   HD23  LEU  74          2HD2      LEU  74   8.298  -5.584  25.765
  553    H    GLY  75           H        GLY  75   2.659  -4.232  27.093
  554    HA2  GLY  75           2HA      GLY  75   1.791  -4.693  29.520
  555    HA3  GLY  75           3HA      GLY  75   2.964  -3.436  29.923
  556    H    GLY  76           H        GLY  76   0.729  -2.459  30.661
  557    HA2  GLY  76           2HA      GLY  76   0.103  -0.430  28.665
  558    HA3  GLY  76           3HA      GLY  76  -1.263  -1.468  29.054
  559    H    GLY  77           H        GLY  77  -1.847   0.905  29.652
  560    HA2  GLY  77           2HA      GLY  77  -1.933   1.226  32.526
  561    HA3  GLY  77           3HA      GLY  77  -0.820   2.355  31.731
  562    H    ARG  78           H        ARG  78  -2.176   4.110  32.266
  563    HA   ARG  78           HA       ARG  78  -4.511   4.557  30.504
  564    HE   ARG  78           HE       ARG  78  -5.640   1.322  33.786
  565    HB2  ARG  78           2HB      ARG  78  -4.422   4.586  33.548
  566    HB3  ARG  78           3HB      ARG  78  -5.494   5.703  32.707
  567    HG2  ARG  78           2HG      ARG  78  -6.854   4.054  31.835
  568    HG3  ARG  78           3HG      ARG  78  -5.644   2.782  31.949
  569    HD2  ARG  78           2HD      ARG  78  -6.732   4.051  34.467
  570    HD3  ARG  78           3HD      ARG  78  -7.659   2.821  33.609
  571   HH11  ARG  78          1HH2      ARG  78  -6.117   3.842  36.255
  572   HH12  ARG  78          2HH2      ARG  78  -5.305   2.934  37.495
  573   HH21  ARG  78          1HH1      ARG  78  -4.754   0.061  35.495
  574   HH22  ARG  78          2HH1      ARG  78  -4.863   0.675  37.120
  575    H    ILE  79           H        ILE  79  -5.040   6.978  30.542
  576    HA   ILE  79           HA       ILE  79  -2.558   8.590  30.807
  577    HB   ILE  79           HB       ILE  79  -4.386   8.321  28.380
  578   HG12  ILE  79          2HG1      ILE  79  -1.492   7.562  28.947
  579   HG13  ILE  79          3HG1      ILE  79  -2.820   6.499  28.502
  580   HG21  ILE  79          1HG2      ILE  79  -3.739  10.697  28.672
  581   HG22  ILE  79          2HG2      ILE  79  -2.030  10.221  28.734
  582   HG23  ILE  79          3HG2      ILE  79  -3.000  10.001  27.259
  583   HD11  ILE  79          3HD1      ILE  79  -1.396   8.459  26.678
  584   HD12  ILE  79          1HD1      ILE  79  -1.318   6.700  26.653
  585   HD13  ILE  79          2HD1      ILE  79  -2.840   7.510  26.221
  586    H    SER  80           H        SER  80  -2.991  10.837  31.129
  587    HA   SER  80           HA       SER  80  -5.690  11.783  31.669
  588    HG   SER  80           HG       SER  80  -3.555  10.689  34.979
  589    HB2  SER  80           2HB      SER  80  -5.119  12.162  34.120
  590    HB3  SER  80           3HB      SER  80  -5.397  10.487  33.660
  591    H    HIS  81           H        HIS  81  -5.021  13.977  33.233
  592    HA   HIS  81           HA       HIS  81  -2.637  15.243  32.084
  593    HD1  HIS  81           HD1      HIS  81  -3.102  17.893  29.621
  594    HD2  HIS  81           HD2      HIS  81  -5.763  14.640  29.919
  595    HE1  HIS  81           HE1      HIS  81  -3.591  17.114  27.238
  596    HB2  HIS  81           2HB      HIS  81  -5.431  16.468  32.125
  597    HB3  HIS  81           3HB      HIS  81  -3.956  17.420  32.019
  598    H    GLN  82           H        GLN  82  -1.796  16.854  33.585
  599    HA   GLN  82           HA       GLN  82  -2.951  16.902  36.315
  600    HB2  GLN  82           2HB      GLN  82  -0.237  15.736  35.555
  601    HB3  GLN  82           3HB      GLN  82  -0.590  16.294  37.185
  602    HG2  GLN  82           2HG      GLN  82  -2.096  14.054  35.768
  603    HG3  GLN  82           3HG      GLN  82  -0.778  13.843  36.904
  604   HE21  GLN  82          2HE2      GLN  82  -4.182  14.816  36.607
  605   HE22  GLN  82          1HE2      GLN  82  -4.524  14.719  38.331
  606    H    SER  83           H        SER  83  -1.802  18.341  37.712
  607    HA   SER  83           HA       SER  83  -1.073  20.350  38.338
  608    HG   SER  83           HG       SER  83   1.308  19.507  38.399
  609    HB2  SER  83           2HB      SER  83   0.563  20.368  35.778
  610    HB3  SER  83           3HB      SER  83   0.830  21.379  37.204
  611    H    GLN  84           H        GLN  84  -1.091  22.769  37.807
  612    HA   GLN  84           HA       GLN  84  -3.616  23.451  36.678
  613    HB2  GLN  84           2HB      GLN  84  -1.191  25.182  37.341
  614    HB3  GLN  84           3HB      GLN  84  -2.792  25.801  36.920
  615    HG2  GLN  84           2HG      GLN  84  -3.770  24.615  38.881
  616    HG3  GLN  84           3HG      GLN  84  -2.161  24.061  39.345
  617   HE21  GLN  84          2HE2      GLN  84  -4.367  26.812  39.308
  618   HE22  GLN  84          1HE2      GLN  84  -3.315  27.893  40.203
  619    H    ASP  85           H        ASP  85  -0.390  23.231  35.257
  620    HA   ASP  85           HA       ASP  85  -0.975  24.598  32.801
  621    HB2  ASP  85           2HB      ASP  85   1.299  24.196  33.771
  622    HB3  ASP  85           3HB      ASP  85   1.122  22.481  33.408
  623    H    LYS  86           H        LYS  86  -2.229  21.699  33.981
  624    HA   LYS  86           HA       LYS  86  -2.895  19.734  33.188
  625    HB2  LYS  86           2HB      LYS  86  -4.616  19.802  31.477
  626    HB3  LYS  86           3HB      LYS  86  -4.801  21.044  32.708
  627    HG2  LYS  86           2HG      LYS  86  -3.996  22.773  31.168
  628    HG3  LYS  86           3HG      LYS  86  -3.667  21.552  29.921
  629    HD2  LYS  86           2HD      LYS  86  -6.075  20.975  29.850
  630    HD3  LYS  86           3HD      LYS  86  -6.403  22.192  31.109
  631    HE2  LYS  86           2HE      LYS  86  -5.501  23.966  29.617
  632    HE3  LYS  86           3HE      LYS  86  -5.186  22.760  28.366
  633    HZ1  LYS  86           3HZ      LYS  86  -7.571  22.330  28.264
  634    HZ2  LYS  86           1HZ      LYS  86  -7.868  23.460  29.426
  635    HZ3  LYS  86           2HZ      LYS  86  -7.261  23.918  27.972
  636    H    LYS  87           H        LYS  87  -0.339  19.766  32.732
  637    HA   LYS  87           HA       LYS  87   0.385  19.125  29.999
  638    HB2  LYS  87           2HB      LYS  87   2.430  18.101  31.051
  639    HB3  LYS  87           3HB      LYS  87   2.166  19.821  31.284
  640    HG2  LYS  87           2HG      LYS  87   3.088  18.930  33.258
  641    HG3  LYS  87           3HG      LYS  87   1.442  19.432  33.613
  642    HD2  LYS  87           2HD      LYS  87   0.680  17.121  33.632
  643    HD3  LYS  87           3HD      LYS  87   2.231  16.535  33.035
  644    HE2  LYS  87           2HE      LYS  87   1.826  18.020  35.675
  645    HE3  LYS  87           3HE      LYS  87   1.793  16.261  35.531
  646    HZ1  LYS  87           3HZ      LYS  87   4.132  17.934  34.862
  647    HZ2  LYS  87           1HZ      LYS  87   3.959  17.021  36.212
  648    HZ3  LYS  87           2HZ      LYS  87   4.055  16.297  34.746
  649    H    ILE  88           H        ILE  88   1.004  16.901  29.274
  650    HA   ILE  88           HA       ILE  88  -1.268  15.132  29.787
  651    HB   ILE  88           HB       ILE  88   1.270  14.747  28.140
  652   HG12  ILE  88          2HG1      ILE  88  -1.553  15.490  27.239
  653   HG13  ILE  88          3HG1      ILE  88  -0.207  16.621  27.353
  654   HG21  ILE  88          1HG2      ILE  88   0.056  12.865  27.051
  655   HG22  ILE  88          2HG2      ILE  88   0.245  12.557  28.767
  656   HG23  ILE  88          3HG2      ILE  88  -1.319  13.120  28.140
  657   HD11  ILE  88          3HD1      ILE  88   1.043  15.263  25.650
  658   HD12  ILE  88          1HD1      ILE  88  -0.434  14.292  25.417
  659   HD13  ILE  88          2HD1      ILE  88  -0.449  16.020  25.062
  660    H    HIS  89           H        HIS  89  -1.158  13.136  30.902
  661    HA   HIS  89           HA       HIS  89   1.346  12.497  32.308
  662    HD1  HIS  89           HD1      HIS  89  -0.570  10.530  35.358
  663    HD2  HIS  89           HD2      HIS  89   2.261  13.595  34.886
  664    HE1  HIS  89           HE1      HIS  89   1.311  10.029  36.989
  665    HB2  HIS  89           2HB      HIS  89  -0.190  13.955  33.745
  666    HB3  HIS  89           3HB      HIS  89  -1.313  12.592  33.756
  667    H    VAL  90           H        VAL  90   1.400  10.249  33.008
  668    HA   VAL  90           HA       VAL  90  -0.636   8.441  31.824
  669    HB   VAL  90           HB       VAL  90   2.379   8.189  31.469
  670   HG11  VAL  90          1HG1      VAL  90   1.193   6.023  31.590
  671   HG12  VAL  90          2HG1      VAL  90   0.122   6.539  30.276
  672   HG13  VAL  90          3HG1      VAL  90   1.860   6.320  29.977
  673   HG21  VAL  90          3HG2      VAL  90   0.265   9.011  29.434
  674   HG22  VAL  90          1HG2      VAL  90   1.660   9.964  29.983
  675   HG23  VAL  90          2HG2      VAL  90   1.919   8.510  29.019
  676    H    TYR  91           H        TYR  91  -0.916   6.528  33.108
  677    HA   TYR  91           HA       TYR  91   0.722   6.138  35.490
  678    HD1  TYR  91           HD1      TYR  91  -2.711   8.228  34.133
  679    HD2  TYR  91           HD2      TYR  91  -2.816   5.936  37.781
  680    HE1  TYR  91           HE1      TYR  91  -5.165   8.054  33.943
  681    HE2  TYR  91           HE2      TYR  91  -5.269   5.764  37.623
  682    HH   TYR  91           HH       TYR  91  -7.141   7.249  34.951
  683    HB2  TYR  91           2HB      TYR  91  -0.793   6.889  37.108
  684    HB3  TYR  91           3HB      TYR  91  -0.760   8.200  35.966
  685    H    GLY  92           H        GLY  92  -0.797   4.609  37.043
  686    HA2  GLY  92           2HA      GLY  92  -2.191   2.825  37.278
  687    HA3  GLY  92           3HA      GLY  92  -2.781   3.084  35.638
  688    H    TYR  93           H        TYR  93  -2.785   0.695  35.647
  689    HA   TYR  93           HA       TYR  93  -0.401  -0.287  34.317
  690    HD1  TYR  93           HD2      TYR  93  -3.024  -0.832  37.449
  691    HD2  TYR  93           HD1      TYR  93  -0.644  -4.216  36.236
  692    HE1  TYR  93           HE2      TYR  93  -4.684  -2.350  38.455
  693    HE2  TYR  93           HE1      TYR  93  -2.284  -5.742  37.244
  694    HH   TYR  93           HH       TYR  93  -4.296  -5.921  38.421
  695    HB2  TYR  93           2HB      TYR  93   0.065  -2.094  35.652
  696    HB3  TYR  93           3HB      TYR  93  -0.223  -0.873  36.867
  697    H    SER  94           H        SER  94  -0.947  -2.345  33.140
  698    HA   SER  94           HA       SER  94  -3.787  -2.471  32.408
  699    HG   SER  94           HG       SER  94  -3.964  -3.976  30.364
  700    HB2  SER  94           2HB      SER  94  -2.197  -2.670  30.593
  701    HB3  SER  94           3HB      SER  94  -1.336  -3.982  31.423
  702    H    MET  95           H        MET  95  -5.169  -3.749  33.453
  703    HA   MET  95           HA       MET  95  -4.448  -5.733  35.369
  704    HB2  MET  95           2HB      MET  95  -7.035  -5.482  33.763
  705    HB3  MET  95           3HB      MET  95  -6.796  -6.371  35.266
  706    HG2  MET  95           2HG      MET  95  -7.860  -4.425  35.946
  707    HG3  MET  95           3HG      MET  95  -6.174  -4.136  36.350
  708    HE1  MET  95           3HE      MET  95  -7.563  -0.556  35.578
  709    HE2  MET  95           1HE      MET  95  -8.396  -1.907  36.372
  710    HE3  MET  95           2HE      MET  95  -6.688  -1.585  36.735
  711    H    ALA  96           H        ALA  96  -4.650  -5.778  31.847
  712    HA   ALA  96           HA       ALA  96  -4.999  -8.661  31.631
  713    HB1  ALA  96           3HB      ALA  96  -4.215  -6.610  29.513
  714    HB2  ALA  96           1HB      ALA  96  -4.779  -8.262  29.232
  715    HB3  ALA  96           2HB      ALA  96  -5.890  -7.065  29.928
  716    H    TYR  97           H        TYR  97  -2.245  -6.400  31.668
  717    HA   TYR  97           HA       TYR  97  -0.405  -8.696  31.074
  718    HD1  TYR  97           HD2      TYR  97  -0.279  -9.220  28.678
  719    HD2  TYR  97           HD1      TYR  97  -1.580  -5.109  28.539
  720    HE1  TYR  97           HE2      TYR  97  -1.525  -9.699  26.601
  721    HE2  TYR  97           HE1      TYR  97  -2.761  -5.556  26.396
  722    HH   TYR  97           HH       TYR  97  -2.858  -8.839  24.944
  723    HB2  TYR  97           2HB      TYR  97  -0.131  -5.788  30.230
  724    HB3  TYR  97           3HB      TYR  97   0.972  -7.100  29.841
  725    H    GLY  98           H        GLY  98  -0.332  -5.348  32.396
  726    HA2  GLY  98           2HA      GLY  98   0.726  -5.488  34.834
  727    HA3  GLY  98           3HA      GLY  98   2.139  -5.898  33.839
  728    HA   PRO  99           HA       PRO  99   1.608  -1.169  33.906
  729    HB2  PRO  99           2HB      PRO  99   4.422  -1.387  34.914
  730    HB3  PRO  99           3HB      PRO  99   3.128  -0.265  35.425
  731    HG2  PRO  99           2HG      PRO  99   3.886  -2.382  36.981
  732    HG3  PRO  99           3HG      PRO  99   2.171  -1.880  36.858
  733    HD2  PRO  99           2HD      PRO  99   3.572  -4.146  35.428
  734    HD3  PRO  99           3HD      PRO  99   1.959  -4.119  36.205
  735    H    ALA 100           H        ALA 100   2.209  -0.186  31.982
  736    HA   ALA 100           HA       ALA 100   4.055  -1.468  30.128
  737    HB1  ALA 100           3HB      ALA 100   2.786   1.306  30.234
  738    HB2  ALA 100           1HB      ALA 100   3.820   0.744  28.909
  739    HB3  ALA 100           2HB      ALA 100   2.278  -0.055  29.218
  740    H    GLN 101           H        GLN 101   6.046  -0.354  29.408
  741    HA   GLN 101           HA       GLN 101   7.617   0.813  31.597
  742    HB2  GLN 101           2HB      GLN 101   8.296   0.147  28.698
  743    HB3  GLN 101           3HB      GLN 101   9.421   0.875  29.855
  744    HG2  GLN 101           2HG      GLN 101   9.188  -1.090  31.345
  745    HG3  GLN 101           3HG      GLN 101   8.047  -1.826  30.222
  746   HE21  GLN 101          2HE2      GLN 101   8.949  -3.332  28.843
  747   HE22  GLN 101          1HE2      GLN 101  10.628  -3.327  28.331
  748    H    HIS 102           H        HIS 102   5.816   2.437  31.725
  749    HA   HIS 102           HA       HIS 102   4.880   4.077  29.802
  750    HD1  HIS 102           HD1      HIS 102   4.507   3.037  34.168
  751    HD2  HIS 102           HD2      HIS 102   2.152   4.063  30.857
  752    HE1  HIS 102           HE1      HIS 102   2.323   1.764  34.411
  753    HB2  HIS 102           2HB      HIS 102   5.508   4.928  32.639
  754    HB3  HIS 102           3HB      HIS 102   4.345   5.706  31.571
  755    H    ALA 103           H        ALA 103   8.081   4.557  31.329
  756    HA   ALA 103           HA       ALA 103   8.579   7.194  30.503
  757    HB1  ALA 103           3HB      ALA 103  10.957   6.583  30.656
  758    HB2  ALA 103           1HB      ALA 103  10.056   5.891  32.021
  759    HB3  ALA 103           2HB      ALA 103  10.540   4.860  30.653
  760    H    ILE 104           H        ILE 104   8.761   4.158  28.630
  761    HA   ILE 104           HA       ILE 104  10.046   5.292  26.306
  762    HB   ILE 104           HB       ILE 104   8.246   2.831  26.592
  763   HG12  ILE 104          2HG1      ILE 104  11.279   3.126  26.739
  764   HG13  ILE 104          3HG1      ILE 104  10.202   2.646  28.050
  765   HG21  ILE 104          1HG2      ILE 104  10.179   3.563  24.356
  766   HG22  ILE 104          2HG2      ILE 104   9.219   2.073  24.466
  767   HG23  ILE 104          3HG2      ILE 104   8.401   3.612  24.257
  768   HD11  ILE 104          3HD1      ILE 104  11.283   0.677  27.277
  769   HD12  ILE 104          1HD1      ILE 104   9.598   0.580  26.728
  770   HD13  ILE 104          2HD1      ILE 104  10.895   1.015  25.587
  771    H    SER 105           H        SER 105   6.618   4.617  27.253
  772    HA   SER 105           HA       SER 105   5.444   5.635  24.925
  773    HG   SER 105           HG       SER 105   4.488   3.525  25.896
  774    HB2  SER 105           2HB      SER 105   4.239   5.705  27.717
  775    HB3  SER 105           3HB      SER 105   3.390   5.561  26.170
  776    H    THR 106           H        THR 106   6.228   7.395  28.030
  777    HA   THR 106           HA       THR 106   4.926   9.762  27.165
  778    HB   THR 106           HB       THR 106   6.302  10.872  28.970
  779    HG1  THR 106           1HG      THR 106   8.117   9.500  29.049
  780   HG21  THR 106          3HG2      THR 106   4.055   9.755  29.334
  781   HG22  THR 106          1HG2      THR 106   4.917   8.312  29.877
  782   HG23  THR 106          2HG2      THR 106   5.102   9.845  30.754
  783    H    GLU 107           H        GLU 107   8.342   8.659  26.694
  784    HA   GLU 107           HA       GLU 107   9.188  11.161  25.584
  785    HB2  GLU 107           2HB      GLU 107  10.227   8.314  25.315
  786    HB3  GLU 107           3HB      GLU 107  10.971   9.699  24.499
  787    HG2  GLU 107           2HG      GLU 107  11.283  10.836  26.683
  788    HG3  GLU 107           3HG      GLU 107  10.640   9.433  27.515
  789    H    LYS 108           H        LYS 108   7.752   8.221  24.145
  790    HA   LYS 108           HA       LYS 108   8.063   9.098  21.415
  791    HB2  LYS 108           2HB      LYS 108   6.294   7.062  22.803
  792    HB3  LYS 108           3HB      LYS 108   6.218   7.321  21.045
  793    HG2  LYS 108           2HG      LYS 108   8.588   6.746  20.801
  794    HG3  LYS 108           3HG      LYS 108   8.801   6.690  22.546
  795    HD2  LYS 108           2HD      LYS 108   8.684   4.444  21.963
  796    HD3  LYS 108           3HD      LYS 108   7.094   4.806  22.615
  797    HE2  LYS 108           2HE      LYS 108   6.788   3.427  20.696
  798    HE3  LYS 108           3HE      LYS 108   6.239   5.044  20.229
  799    HZ1  LYS 108           3HZ      LYS 108   8.984   4.150  19.627
  800    HZ2  LYS 108           1HZ      LYS 108   7.731   3.738  18.660
  801    HZ3  LYS 108           2HZ      LYS 108   8.076   5.320  18.869
  802    H    ILE 109           H        ILE 109   5.308   9.419  23.731
  803    HA   ILE 109           HA       ILE 109   3.594  10.902  21.997
  804    HB   ILE 109           HB       ILE 109   3.962  11.042  25.020
  805   HG12  ILE 109          2HG1      ILE 109   1.671   9.688  23.549
  806   HG13  ILE 109          3HG1      ILE 109   3.143   8.809  23.911
  807   HG21  ILE 109          1HG2      ILE 109   2.812  13.098  24.141
  808   HG22  ILE 109          2HG2      ILE 109   1.610  12.068  23.351
  809   HG23  ILE 109          3HG2      ILE 109   1.740  12.115  25.119
  810   HD11  ILE 109          3HD1      ILE 109   1.508   8.346  25.623
  811   HD12  ILE 109          1HD1      ILE 109   2.821   9.291  26.346
  812   HD13  ILE 109          2HD1      ILE 109   1.268  10.067  25.955
  813    H    LYS 110           H        LYS 110   6.142  12.011  24.316
  814    HA   LYS 110           HA       LYS 110   5.815  14.755  23.841
  815    HB2  LYS 110           2HB      LYS 110   7.033  13.554  25.685
  816    HB3  LYS 110           3HB      LYS 110   8.406  13.313  24.596
  817    HG2  LYS 110           2HG      LYS 110   8.676  15.761  24.396
  818    HG3  LYS 110           3HG      LYS 110   7.229  16.018  25.379
  819    HD2  LYS 110           2HD      LYS 110   9.880  14.821  26.296
  820    HD3  LYS 110           3HD      LYS 110   9.170  16.381  26.756
  821    HE2  LYS 110           2HE      LYS 110   7.179  14.996  27.666
  822    HE3  LYS 110           3HE      LYS 110   8.237  13.583  27.519
  823    HZ1  LYS 110           3HZ      LYS 110   8.612  15.989  29.188
  824    HZ2  LYS 110           1HZ      LYS 110   8.282  14.510  29.717
  825    HZ3  LYS 110           2HZ      LYS 110   9.782  14.802  29.046
  826    H    ALA 111           H        ALA 111   7.944  12.434  22.118
  827    HA   ALA 111           HA       ALA 111   9.311  14.317  20.539
  828    HB1  ALA 111           3HB      ALA 111   8.573  11.418  19.903
  829    HB2  ALA 111           1HB      ALA 111   9.828  12.380  19.088
  830    HB3  ALA 111           2HB      ALA 111  10.008  11.960  20.803
  831    H    LYS 112           H        LYS 112   6.162  12.657  19.957
  832    HA   LYS 112           HA       LYS 112   5.961  13.996  17.322
  833    HB2  LYS 112           2HB      LYS 112   4.087  12.040  18.700
  834    HB3  LYS 112           3HB      LYS 112   3.893  12.664  17.065
  835    HG2  LYS 112           2HG      LYS 112   6.110  10.835  18.069
  836    HG3  LYS 112           3HG      LYS 112   4.820  10.460  16.923
  837    HD2  LYS 112           2HD      LYS 112   5.797  12.116  15.317
  838    HD3  LYS 112           3HD      LYS 112   7.161  12.340  16.440
  839    HE2  LYS 112           2HE      LYS 112   7.664   9.911  16.312
  840    HE3  LYS 112           3HE      LYS 112   6.328   9.699  15.175
  841    HZ1  LYS 112           3HZ      LYS 112   7.488  11.166  13.631
  842    HZ2  LYS 112           1HZ      LYS 112   8.730  11.364  14.685
  843    HZ3  LYS 112           2HZ      LYS 112   8.441   9.886  14.030
  844    H    TYR 113           H        TYR 113   4.812  14.591  20.551
  845    HA   TYR 113           HA       TYR 113   3.127  16.810  19.499
  846    HD1  TYR 113           HD1      TYR 113   0.458  16.229  18.996
  847    HD2  TYR 113           HD2      TYR 113   2.260  12.831  20.940
  848    HE1  TYR 113           HE1      TYR 113  -0.786  14.715  17.490
  849    HE2  TYR 113           HE2      TYR 113   1.019  11.299  19.429
  850    HH   TYR 113           HH       TYR 113  -1.219  12.493  16.901
  851    HB2  TYR 113           2HB      TYR 113   2.528  15.019  21.881
  852    HB3  TYR 113           3HB      TYR 113   1.552  16.364  21.312
  853    HA   PRO 114           HA       PRO 114   6.491  17.992  22.582
  854    HB2  PRO 114           2HB      PRO 114   7.925  19.830  21.137
  855    HB3  PRO 114           3HB      PRO 114   8.175  18.063  20.996
  856    HG2  PRO 114           2HG      PRO 114   6.466  19.842  19.223
  857    HG3  PRO 114           3HG      PRO 114   7.714  18.654  18.720
  858    HD2  PRO 114           2HD      PRO 114   5.081  17.995  18.753
  859    HD3  PRO 114           3HD      PRO 114   6.337  16.828  19.272
  860    H    ASP 115           H        ASP 115   4.005  19.686  20.904
  861    HA   ASP 115           HA       ASP 115   4.166  22.260  22.144
  862    HB2  ASP 115           2HB      ASP 115   2.796  21.701  20.141
  863    HB3  ASP 115           3HB      ASP 115   1.743  20.715  21.152
  864    H    TYR 116           H        TYR 116   3.579  19.163  23.531
  865    HA   TYR 116           HA       TYR 116   2.359  20.406  25.954
  866    HD1  TYR 116           HD2      TYR 116  -0.587  19.963  26.366
  867    HD2  TYR 116           HD1      TYR 116   0.866  18.292  22.671
  868    HE1  TYR 116           HE2      TYR 116  -2.601  20.793  25.207
  869    HE2  TYR 116           HE1      TYR 116  -1.157  19.124  21.494
  870    HH   TYR 116           HH       TYR 116  -3.738  20.941  23.183
  871    HB2  TYR 116           2HB      TYR 116   1.841  17.631  24.810
  872    HB3  TYR 116           3HB      TYR 116   1.217  18.254  26.327
  873    H    GLU 117           H        GLU 117   3.227  19.723  27.886
  874    HA   GLU 117           HA       GLU 117   5.745  18.207  27.866
  875    HB2  GLU 117           2HB      GLU 117   5.514  20.178  29.313
  876    HB3  GLU 117           3HB      GLU 117   4.074  19.509  30.059
  877    HG2  GLU 117           2HG      GLU 117   5.958  19.298  31.559
  878    HG3  GLU 117           3HG      GLU 117   5.423  17.700  31.081
  879    H    VAL 118           H        VAL 118   5.899  16.188  29.109
  880    HA   VAL 118           HA       VAL 118   3.365  14.717  29.524
  881    HB   VAL 118           HB       VAL 118   5.592  13.441  27.915
  882   HG11  VAL 118          1HG1      VAL 118   3.856  11.830  27.302
  883   HG12  VAL 118          2HG1      VAL 118   3.901  11.990  29.067
  884   HG13  VAL 118          3HG1      VAL 118   2.620  12.778  28.141
  885   HG21  VAL 118          3HG2      VAL 118   3.164  14.825  26.707
  886   HG22  VAL 118          1HG2      VAL 118   4.862  15.271  26.462
  887   HG23  VAL 118          2HG2      VAL 118   4.274  13.730  25.851
  888    H    THR 119           H        THR 119   3.551  13.310  31.277
  889    HA   THR 119           HA       THR 119   6.184  12.535  32.319
  890    HB   THR 119           HB       THR 119   5.136  13.290  34.676
  891    HG1  THR 119           1HG      THR 119   3.813  14.801  32.769
  892   HG21  THR 119          3HG2      THR 119   6.534  15.305  32.868
  893   HG22  THR 119          1HG2      THR 119   6.502  15.289  34.645
  894   HG23  THR 119          2HG2      THR 119   7.345  14.007  33.770
  895    H    TRP 120           H        TRP 120   5.729  10.984  34.362
  896    HA   TRP 120           HA       TRP 120   3.120   9.776  34.239
  897    HD1  TRP 120           HD1      TRP 120   7.017   9.180  32.280
  898    HE1  TRP 120           HE1      TRP 120   9.088   7.886  33.024
  899    HE3  TRP 120           HE3      TRP 120   4.766   5.782  35.367
  900    HZ2  TRP 120           HZ2      TRP 120   9.692   5.576  34.678
  901    HZ3  TRP 120           HZ3      TRP 120   6.101   4.012  36.470
  902    HH2  TRP 120           HH2      TRP 120   8.563   3.902  36.142
  903    HB2  TRP 120           2HB      TRP 120   3.875   7.526  33.750
  904    HB3  TRP 120           3HB      TRP 120   4.350   8.569  32.434
  905    H    ALA 121           H        ALA 121   2.964   7.962  35.911
  906    HA   ALA 121           HA       ALA 121   5.020   8.023  38.015
  907    HB1  ALA 121           3HB      ALA 121   2.080   8.592  38.625
  908    HB2  ALA 121           1HB      ALA 121   3.384   8.397  39.808
  909    HB3  ALA 121           2HB      ALA 121   3.400   9.790  38.712
  910    H    ASN 122           H        ASN 122   4.971   6.179  39.313
  911    HA   ASN 122           HA       ASN 122   3.680   3.789  38.213
  912    HB2  ASN 122           2HB      ASN 122   5.126   2.572  39.689
  913    HB3  ASN 122           3HB      ASN 122   6.097   3.756  38.829
  914   HD21  ASN 122          2HD2      ASN 122   6.341   2.317  41.590
  915   HD22  ASN 122          1HD2      ASN 122   6.703   3.645  42.672
  916    H    ASP 123           H        ASP 123   1.660   5.359  39.009
  917    HA   ASP 123           HA       ASP 123   0.773   4.385  41.669
  918    HB2  ASP 123           2HB      ASP 123   1.913   6.564  41.988
  919    HB3  ASP 123           3HB      ASP 123   0.864   7.295  40.775
  920    H    GLY 124           H        GLY 124  -1.568   5.002  42.011
  921    HA2  GLY 124           2HA      GLY 124  -3.758   4.864  41.409
  922    HA3  GLY 124           3HA      GLY 124  -3.341   5.658  39.888
  923    H    TYR 125           H        TYR 125  -1.999   2.550  40.947
  924    HA   TYR 125           HA       TYR 125  -2.613   1.170  38.523
  925    HD1  TYR 125           HD2      TYR 125  -0.497   2.255  38.757
  926    HD2  TYR 125           HD1      TYR 125   0.314  -1.591  40.533
  927    HE1  TYR 125           HE2      TYR 125   1.798   2.383  37.953
  928    HE2  TYR 125           HE1      TYR 125   2.665  -1.439  39.780
  929    HH   TYR 125           HH       TYR 125   4.238  -0.152  38.631
  930    HB2  TYR 125           2HB      TYR 125  -1.740   0.231  41.271
  931    HB3  TYR 125           3HB      TYR 125  -2.035  -0.859  39.935
  Start of MODEL   15
    1    HA   MET   1           HA       MET   1   0.050 -10.951   0.859
    2    H1   MET   1           H1       MET   1   0.630 -11.814  -1.276
    3    H2   MET   1           H2       MET   1   0.379 -13.064  -0.231
    4    H3   MET   1           H3       MET   1   1.915 -12.627  -0.669
    5    HB2  MET   1           2HB      MET   1   0.843 -12.867   2.184
    6    HB3  MET   1           3HB      MET   1   2.525 -12.463   1.805
    7    HG2  MET   1           2HG      MET   1   1.849 -11.677   4.046
    8    HG3  MET   1           3HG      MET   1   2.330 -10.345   3.002
    9    HE1  MET   1           3HE      MET   1   1.010  -9.725   5.647
   10    HE2  MET   1           1HE      MET   1   1.368  -8.482   4.426
   11    HE3  MET   1           2HE      MET   1  -0.229  -8.540   5.196
   12    H    ALA   2           H        ALA   2   0.587  -8.787   0.906
   13    HA   ALA   2           HA       ALA   2   2.630  -7.834  -0.892
   14    HB1  ALA   2           3HB      ALA   2   1.829  -5.623  -0.146
   15    HB2  ALA   2           1HB      ALA   2   0.462  -6.678  -0.545
   16    HB3  ALA   2           2HB      ALA   2   0.896  -6.377   1.157
   17    H    VAL   3           H        VAL   3   4.300  -6.304  -0.282
   18    HA   VAL   3           HA       VAL   3   5.780  -6.987   2.150
   19    HB   VAL   3           HB       VAL   3   7.401  -5.307   1.205
   20   HG11  VAL   3          1HG1      VAL   3   8.242  -6.801  -0.543
   21   HG12  VAL   3          2HG1      VAL   3   7.657  -7.728   0.858
   22   HG13  VAL   3          3HG1      VAL   3   6.677  -7.635  -0.626
   23   HG21  VAL   3          3HG2      VAL   3   7.237  -4.572  -1.103
   24   HG22  VAL   3          1HG2      VAL   3   5.686  -5.395  -1.330
   25   HG23  VAL   3          2HG2      VAL   3   5.808  -4.004  -0.234
   26    H    ALA   4           H        ALA   4   6.564  -5.162   3.519
   27    HA   ALA   4           HA       ALA   4   5.120  -2.698   3.629
   28    HB1  ALA   4           3HB      ALA   4   3.490  -4.044   4.865
   29    HB2  ALA   4           1HB      ALA   4   4.774  -4.758   5.874
   30    HB3  ALA   4           2HB      ALA   4   4.369  -3.034   6.014
   31    H    ASP   5           H        ASP   5   6.088  -1.575   5.777
   32    HA   ASP   5           HA       ASP   5   8.628  -2.633   6.701
   33    HB2  ASP   5           2HB      ASP   5   9.316  -1.380   4.658
   34    HB3  ASP   5           3HB      ASP   5   8.482   0.059   5.267
   35    H    LEU   6           H        LEU   6   9.229  -1.457   8.682
   36    HA   LEU   6           HA       LEU   6   6.967  -0.763  10.279
   37    HG   LEU   6           HG       LEU   6   9.319  -2.714  10.649
   38    HB2  LEU   6           2HB      LEU   6   9.946  -0.289  10.705
   39    HB3  LEU   6           3HB      LEU   6   8.718  -0.025  11.942
   40   HD11  LEU   6          1HD1      LEU   6  10.323  -3.269  12.809
   41   HD12  LEU   6          2HD1      LEU   6  11.163  -1.920  12.057
   42   HD13  LEU   6          3HD1      LEU   6  10.039  -1.618  13.405
   43   HD21  LEU   6          3HD2      LEU   6   7.942  -3.617  12.547
   44   HD22  LEU   6          1HD2      LEU   6   7.468  -1.959  12.960
   45   HD23  LEU   6          2HD2      LEU   6   6.998  -2.676  11.398
   46    H    ALA   7           H        ALA   7   8.939   1.275   8.167
   47    HA   ALA   7           HA       ALA   7   8.371   3.790   9.359
   48    HB1  ALA   7           3HB      ALA   7  10.032   3.440   7.556
   49    HB2  ALA   7           1HB      ALA   7   8.720   3.056   6.420
   50    HB3  ALA   7           2HB      ALA   7   8.844   4.686   7.114
   51    H    LEU   8           H        LEU   8   6.251   1.568   7.652
   52    HA   LEU   8           HA       LEU   8   4.321   3.595   6.823
   53    HG   LEU   8           HG       LEU   8   5.819   1.098   5.389
   54    HB2  LEU   8           2HB      LEU   8   4.041   0.566   7.033
   55    HB3  LEU   8           3HB      LEU   8   2.933   1.652   6.205
   56   HD11  LEU   8          1HD1      LEU   8   3.194   0.342   4.041
   57   HD12  LEU   8          2HD1      LEU   8   4.838  -0.056   3.484
   58   HD13  LEU   8          3HD1      LEU   8   4.210  -0.756   4.989
   59   HD21  LEU   8          3HD2      LEU   8   3.716   2.861   4.056
   60   HD22  LEU   8          1HD2      LEU   8   5.259   3.394   4.766
   61   HD23  LEU   8          2HD2      LEU   8   5.264   2.374   3.328
   62    H    ILE   9           H        ILE   9   5.070   2.322   9.864
   63    HA   ILE   9           HA       ILE   9   2.243   2.389  10.807
   64    HB   ILE   9           HB       ILE   9   4.708   0.875  11.736
   65   HG12  ILE   9          2HG1      ILE   9   1.985  -0.181  10.840
   66   HG13  ILE   9          3HG1      ILE   9   3.350   0.010   9.746
   67   HG21  ILE   9          1HG2      ILE   9   3.336  -0.081  13.555
   68   HG22  ILE   9          2HG2      ILE   9   3.502   1.655  13.737
   69   HG23  ILE   9          3HG2      ILE   9   1.985   0.989  13.095
   70   HD11  ILE   9          3HD1      ILE   9   3.235  -2.283  10.450
   71   HD12  ILE   9          1HD1      ILE   9   4.710  -1.542  11.098
   72   HD13  ILE   9          2HD1      ILE   9   3.311  -1.831  12.158
   73    HA   PRO  10           HA       PRO  10   3.763   6.144  12.713
   74    HB2  PRO  10           2HB      PRO  10   1.664   6.780  14.389
   75    HB3  PRO  10           3HB      PRO  10   1.618   6.983  12.610
   76    HG2  PRO  10           2HG      PRO  10   0.524   4.690  14.253
   77    HG3  PRO  10           3HG      PRO  10  -0.275   5.579  12.921
   78    HD2  PRO  10           2HD      PRO  10   0.968   3.185  12.515
   79    HD3  PRO  10           3HD      PRO  10   1.018   4.478  11.281
   80    H    ASP  11           H        ASP  11   4.725   6.833  14.666
   81    HA   ASP  11           HA       ASP  11   5.736   4.825  16.417
   82    HB2  ASP  11           2HB      ASP  11   6.985   6.823  15.793
   83    HB3  ASP  11           3HB      ASP  11   5.760   7.864  16.521
   84    H    VAL  12           H        VAL  12   3.112   7.261  16.823
   85    HA   VAL  12           HA       VAL  12   2.152   5.867  19.199
   86    HB   VAL  12           HB       VAL  12   3.688   7.334  20.220
   87   HG11  VAL  12          1HG1      VAL  12   4.196   8.922  18.462
   88   HG12  VAL  12          2HG1      VAL  12   2.571   9.657  18.608
   89   HG13  VAL  12          3HG1      VAL  12   3.748   9.760  19.937
   90   HG21  VAL  12          3HG2      VAL  12   1.026   8.795  20.411
   91   HG22  VAL  12          1HG2      VAL  12   1.370   7.249  21.209
   92   HG23  VAL  12          2HG2      VAL  12   2.324   8.679  21.618
   93    H    ASP  13           H        ASP  13  -0.089   6.031  19.344
   94    HA   ASP  13           HA       ASP  13  -1.586   7.924  17.693
   95    HB2  ASP  13           2HB      ASP  13  -0.934   6.105  16.102
   96    HB3  ASP  13           3HB      ASP  13  -1.724   4.932  17.155
   97    H    ILE  14           H        ILE  14  -2.766   8.632  19.422
   98    HA   ILE  14           HA       ILE  14  -4.236   6.694  21.077
   99    HB   ILE  14           HB       ILE  14  -3.707   7.910  23.120
  100   HG12  ILE  14          2HG1      ILE  14  -1.699   9.531  21.485
  101   HG13  ILE  14          3HG1      ILE  14  -3.197  10.142  22.190
  102   HG21  ILE  14          1HG2      ILE  14  -1.061   7.108  21.856
  103   HG22  ILE  14          2HG2      ILE  14  -1.559   6.965  23.559
  104   HG23  ILE  14          3HG2      ILE  14  -2.291   5.934  22.331
  105   HD11  ILE  14          3HD1      ILE  14  -0.769   9.145  23.729
  106   HD12  ILE  14          1HD1      ILE  14  -1.361  10.806  23.596
  107   HD13  ILE  14          2HD1      ILE  14  -2.325   9.596  24.468
  108    H    ASP  15           H        ASP  15  -6.104   7.686  22.079
  109    HA   ASP  15           HA       ASP  15  -7.026  10.255  20.859
  110    HB2  ASP  15           2HB      ASP  15  -7.696   8.297  19.440
  111    HB3  ASP  15           3HB      ASP  15  -8.566   7.629  20.824
  112    H    SER  16           H        SER  16  -6.093   9.347  23.516
  113    HA   SER  16           HA       SER  16  -8.266   8.898  25.277
  114    HG   SER  16           HG       SER  16  -6.305   7.163  25.157
  115    HB2  SER  16           2HB      SER  16  -5.463   9.737  26.040
  116    HB3  SER  16           3HB      SER  16  -6.579   8.680  26.920
  117    H    ASP  17           H        ASP  17  -9.460  10.891  24.469
  118    HA   ASP  17           HA       ASP  17  -8.869  13.520  25.334
  119    HB2  ASP  17           2HB      ASP  17 -10.606  12.906  23.693
  120    HB3  ASP  17           3HB      ASP  17 -11.571  12.175  24.975
  121    H    GLY  18           H        GLY  18  -9.515  10.848  27.305
  122    HA2  GLY  18           2HA      GLY  18  -9.752  12.411  29.740
  123    HA3  GLY  18           3HA      GLY  18 -11.165  11.399  29.377
  124    H    VAL  19           H        VAL  19 -10.436  10.189  31.407
  125    HA   VAL  19           HA       VAL  19  -8.026   8.657  31.434
  126    HB   VAL  19           HB       VAL  19 -10.706   8.007  32.749
  127   HG11  VAL  19          1HG1      VAL  19  -7.862   7.102  33.386
  128   HG12  VAL  19          2HG1      VAL  19  -9.304   6.735  34.363
  129   HG13  VAL  19          3HG1      VAL  19  -9.164   6.089  32.722
  130   HG21  VAL  19          3HG2      VAL  19  -9.831   9.066  34.782
  131   HG22  VAL  19          1HG2      VAL  19  -8.389   9.605  33.907
  132   HG23  VAL  19          2HG2      VAL  19  -9.987  10.243  33.476
  133    H    PHE  20           H        PHE  20  -7.487   7.217  29.837
  134    HA   PHE  20           HA       PHE  20  -9.424   5.064  29.280
  135    HD1  PHE  20           HD2      PHE  20 -11.293   4.722  27.315
  136    HD2  PHE  20           HD1      PHE  20  -9.562   8.662  27.109
  137    HE1  PHE  20           HE2      PHE  20 -13.547   5.701  27.130
  138    HE2  PHE  20           HE1      PHE  20 -11.833   9.653  26.920
  139    HZ   PHE  20           HZ       PHE  20 -13.837   8.172  26.954
  140    HB2  PHE  20           2HB      PHE  20  -8.115   6.724  27.093
  141    HB3  PHE  20           3HB      PHE  20  -8.802   5.130  26.829
  142    H    LYS  21           H        LYS  21  -8.423   3.112  28.814
  143    HA   LYS  21           HA       LYS  21  -5.722   2.708  29.689
  144    HB2  LYS  21           2HB      LYS  21  -7.610   0.937  28.069
  145    HB3  LYS  21           3HB      LYS  21  -6.065   0.391  28.694
  146    HG2  LYS  21           2HG      LYS  21  -8.407   1.325  30.408
  147    HG3  LYS  21           3HG      LYS  21  -8.019  -0.350  30.045
  148    HD2  LYS  21           2HD      LYS  21  -6.229   1.550  31.608
  149    HD3  LYS  21           3HD      LYS  21  -7.293   0.323  32.300
  150    HE2  LYS  21           2HE      LYS  21  -6.009  -1.417  31.008
  151    HE3  LYS  21           3HE      LYS  21  -4.855  -0.158  30.529
  152    HZ1  LYS  21           3HZ      LYS  21  -5.430  -0.927  33.357
  153    HZ2  LYS  21           1HZ      LYS  21  -4.114  -1.405  32.509
  154    HZ3  LYS  21           2HZ      LYS  21  -4.347   0.155  32.908
  155    H    TYR  22           H        TYR  22  -3.932   1.900  28.379
  156    HA   TYR  22           HA       TYR  22  -4.101   2.015  25.496
  157    HD1  TYR  22           HD1      TYR  22  -2.189   4.280  28.686
  158    HD2  TYR  22           HD2      TYR  22  -0.342   3.207  24.957
  159    HE1  TYR  22           HE1      TYR  22   0.032   4.482  29.751
  160    HE2  TYR  22           HE2      TYR  22   1.908   3.367  26.018
  161    HH   TYR  22           HH       TYR  22   2.296   4.592  29.331
  162    HB2  TYR  22           2HB      TYR  22  -2.646   3.725  25.052
  163    HB3  TYR  22           3HB      TYR  22  -3.425   4.400  26.449
  164    H    VAL  23           H        VAL  23  -1.822   1.230  24.639
  165    HA   VAL  23           HA       VAL  23  -0.338  -0.376  26.612
  166    HB   VAL  23           HB       VAL  23  -0.208  -2.182  24.698
  167   HG11  VAL  23          1HG1      VAL  23  -0.964  -2.820  26.832
  168   HG12  VAL  23          2HG1      VAL  23  -2.500  -1.940  26.655
  169   HG13  VAL  23          3HG1      VAL  23  -2.158  -3.406  25.689
  170   HG21  VAL  23          3HG2      VAL  23  -2.985  -1.066  24.144
  171   HG22  VAL  23          1HG2      VAL  23  -1.590  -1.001  23.041
  172   HG23  VAL  23          2HG2      VAL  23  -2.301  -2.563  23.507
  173    H    LEU  24           H        LEU  24   1.712  -0.945  26.011
  174    HA   LEU  24           HA       LEU  24   2.978   0.621  23.818
  175    HG   LEU  24           HG       LEU  24   5.730  -0.633  24.397
  176    HB2  LEU  24           2HB      LEU  24   3.891   1.139  26.087
  177    HB3  LEU  24           3HB      LEU  24   4.126  -0.588  26.380
  178   HD11  LEU  24          1HD1      LEU  24   5.027   1.394  23.206
  179   HD12  LEU  24          2HD1      LEU  24   5.411   2.397  24.622
  180   HD13  LEU  24          3HD1      LEU  24   6.703   1.581  23.734
  181   HD21  LEU  24          3HD2      LEU  24   6.431   1.262  26.682
  182   HD22  LEU  24          1HD2      LEU  24   6.521  -0.519  26.724
  183   HD23  LEU  24          2HD2      LEU  24   7.581   0.384  25.639
  184    H    ILE  25           H        ILE  25   3.379  -0.725  22.088
  185    HA   ILE  25           HA       ILE  25   3.370  -3.681  22.573
  186    HB   ILE  25           HB       ILE  25   2.070  -2.040  20.362
  187   HG12  ILE  25          2HG1      ILE  25   0.842  -3.940  22.414
  188   HG13  ILE  25          3HG1      ILE  25   0.759  -2.180  22.476
  189   HG21  ILE  25          1HG2      ILE  25   2.287  -5.073  20.606
  190   HG22  ILE  25          2HG2      ILE  25   1.393  -4.189  19.342
  191   HG23  ILE  25          3HG2      ILE  25   3.126  -4.061  19.409
  192   HD11  ILE  25          3HD1      ILE  25  -0.493  -2.146  20.340
  193   HD12  ILE  25          1HD1      ILE  25  -0.511  -3.927  20.325
  194   HD13  ILE  25          2HD1      ILE  25  -1.331  -3.056  21.604
  195    H    ARG  26           H        ARG  26   5.044  -4.779  21.578
  196    HA   ARG  26           HA       ARG  26   7.048  -3.183  20.065
  197    HE   ARG  26           HE       ARG  26  10.291  -4.014  21.413
  198    HB2  ARG  26           2HB      ARG  26   7.925  -4.601  21.822
  199    HB3  ARG  26           3HB      ARG  26   7.080  -6.023  21.188
  200    HG2  ARG  26           2HG      ARG  26   8.440  -6.085  19.216
  201    HG3  ARG  26           3HG      ARG  26   9.100  -4.470  19.506
  202    HD2  ARG  26           2HD      ARG  26   9.563  -6.843  21.361
  203    HD3  ARG  26           3HD      ARG  26  10.678  -6.352  20.064
  204   HH11  ARG  26          1HH2      ARG  26  11.400  -7.212  22.509
  205   HH12  ARG  26          2HH2      ARG  26  12.326  -6.578  23.825
  206   HH21  ARG  26          1HH1      ARG  26  11.455  -3.184  23.113
  207   HH22  ARG  26          2HH1      ARG  26  12.376  -4.202  24.178
  208    H    VAL  27           H        VAL  27   7.155  -3.464  17.859
  209    HA   VAL  27           HA       VAL  27   5.341  -5.468  16.620
  210    HB   VAL  27           HB       VAL  27   4.293  -3.332  16.383
  211   HG11  VAL  27          1HG1      VAL  27   6.113  -1.766  16.758
  212   HG12  VAL  27          2HG1      VAL  27   6.908  -2.261  15.255
  213   HG13  VAL  27          3HG1      VAL  27   5.346  -1.411  15.207
  214   HG21  VAL  27          3HG2      VAL  27   5.680  -3.980  13.747
  215   HG22  VAL  27          1HG2      VAL  27   4.289  -4.851  14.419
  216   HG23  VAL  27          2HG2      VAL  27   4.134  -3.139  13.973
  217    H    HIS  28           H        HIS  28   6.207  -6.567  14.922
  218    HA   HIS  28           HA       HIS  28   9.146  -6.347  14.469
  219    HD1  HIS  28           HD1      HIS  28  10.309  -7.914  16.764
  220    HD2  HIS  28           HD2      HIS  28   6.296  -9.176  16.772
  221    HE1  HIS  28           HE1      HIS  28   9.748  -8.610  19.184
  222    HB2  HIS  28           2HB      HIS  28   7.382  -8.836  14.412
  223    HB3  HIS  28           3HB      HIS  28   9.138  -8.763  14.338
  224    H    SER  29           H        SER  29   9.694  -6.279  12.283
  225    HA   SER  29           HA       SER  29   7.597  -6.058  10.286
  226    HG   SER  29           HG       SER  29  11.069  -5.915  11.101
  227    HB2  SER  29           2HB      SER  29   9.546  -6.041   8.690
  228    HB3  SER  29           3HB      SER  29   9.539  -4.768   9.907
  229    H    ALA  30           H        ALA  30   6.957  -7.571   8.750
  230    HA   ALA  30           HA       ALA  30   8.410 -10.062   8.430
  231    HB1  ALA  30           3HB      ALA  30   6.927 -10.688  10.280
  232    HB2  ALA  30           1HB      ALA  30   5.508 -10.113   9.362
  233    HB3  ALA  30           2HB      ALA  30   6.449 -11.508   8.780
  234    HA   PRO  31           HA       PRO  31   6.285  -7.650   4.980
  235    HB2  PRO  31           2HB      PRO  31   8.853  -7.861   3.515
  236    HB3  PRO  31           3HB      PRO  31   7.921  -6.409   3.924
  237    HG2  PRO  31           2HG      PRO  31  10.318  -7.031   5.152
  238    HG3  PRO  31           3HG      PRO  31   8.999  -6.140   5.971
  239    HD2  PRO  31           2HD      PRO  31   9.672  -9.080   6.187
  240    HD3  PRO  31           3HD      PRO  31   9.248  -7.916   7.451
  241    H    ARG  32           H        ARG  32   5.262  -8.710   3.278
  242    HA   ARG  32           HA       ARG  32   4.362 -10.439   2.293
  243    HE   ARG  32           HE       ARG  32   9.687 -12.703  -0.262
  244    HB2  ARG  32           2HB      ARG  32   5.555 -11.519   0.529
  245    HB3  ARG  32           3HB      ARG  32   5.938  -9.807   0.587
  246    HG2  ARG  32           2HG      ARG  32   8.135 -10.273   1.548
  247    HG3  ARG  32           3HG      ARG  32   7.747 -12.001   1.705
  248    HD2  ARG  32           2HD      ARG  32   7.517 -12.162  -0.753
  249    HD3  ARG  32           3HD      ARG  32   7.916 -10.451  -0.920
  250   HH11  ARG  32          1HH1      ARG  32   9.443  -9.165  -0.546
  251   HH12  ARG  32          2HH1      ARG  32  11.147  -8.904  -0.648
  252   HH21  ARG  32          1HH2      ARG  32  11.946 -12.366  -0.456
  253   HH22  ARG  32          2HH2      ARG  32  12.597 -10.779  -0.612
  254    H    SER  33           H        SER  33   5.317 -11.025   5.082
  255    HA   SER  33           HA       SER  33   5.751 -12.657   6.500
  256    HG   SER  33           HG       SER  33   2.358 -13.500   6.107
  257    HB2  SER  33           2HB      SER  33   4.010 -14.348   4.678
  258    HB3  SER  33           3HB      SER  33   4.306 -14.595   6.409
  259    H    GLY  34           H        GLY  34   7.819 -12.362   4.452
  260    HA2  GLY  34           2HA      GLY  34   9.301 -14.783   4.927
  261    HA3  GLY  34           3HA      GLY  34   8.609 -14.794   3.306
  262    H    ALA  35           H        ALA  35   9.316 -11.518   3.965
  263    HA   ALA  35           HA       ALA  35  11.673 -11.530   2.305
  264    HB1  ALA  35           3HB      ALA  35  11.826  -9.134   2.973
  265    HB2  ALA  35           1HB      ALA  35  10.175  -9.563   2.476
  266    HB3  ALA  35           2HB      ALA  35  10.588  -9.416   4.200
  267    HA   PRO  36           HA       PRO  36  14.663 -12.345   5.521
  268    HB2  PRO  36           2HB      PRO  36  16.987 -11.457   4.421
  269    HB3  PRO  36           3HB      PRO  36  16.043 -12.782   3.693
  270    HG2  PRO  36           2HG      PRO  36  15.963  -9.842   2.934
  271    HG3  PRO  36           3HG      PRO  36  16.217 -11.253   1.854
  272    HD2  PRO  36           2HD      PRO  36  13.755 -10.127   2.220
  273    HD3  PRO  36           3HD      PRO  36  13.958 -11.891   1.994
  274    H    ALA  37           H        ALA  37  13.081 -10.418   6.488
  275    HA   ALA  37           HA       ALA  37  14.909  -8.492   7.775
  276    HB1  ALA  37           3HB      ALA  37  13.279  -6.651   7.412
  277    HB2  ALA  37           1HB      ALA  37  13.955  -7.231   5.873
  278    HB3  ALA  37           2HB      ALA  37  12.312  -7.714   6.365
  279    H    ALA  38           H        ALA  38  14.404  -8.292   9.896
  280    HA   ALA  38           HA       ALA  38  11.770  -8.990  10.963
  281    HB1  ALA  38           3HB      ALA  38  12.955 -11.178  10.846
  282    HB2  ALA  38           1HB      ALA  38  14.307 -10.491  11.785
  283    HB3  ALA  38           2HB      ALA  38  12.698 -10.664  12.521
  284    H    GLU  39           H        GLU  39  13.291  -6.546  10.678
  285    HA   GLU  39           HA       GLU  39  14.511  -5.774  13.210
  286    HB2  GLU  39           2HB      GLU  39  13.302  -4.139  10.929
  287    HB3  GLU  39           3HB      GLU  39  14.193  -3.466  12.291
  288    HG2  GLU  39           2HG      GLU  39  15.305  -5.349  10.160
  289    HG3  GLU  39           3HG      GLU  39  15.596  -3.617  10.281
  290    H    SER  40           H        SER  40  13.405  -4.228  14.732
  291    HA   SER  40           HA       SER  40  10.453  -4.432  14.766
  292    HG   SER  40           HG       SER  40  12.340  -6.796  15.450
  293    HB2  SER  40           2HB      SER  40  12.215  -5.186  17.124
  294    HB3  SER  40           3HB      SER  40  10.458  -5.312  17.019
  295    H    LYS  41           H        LYS  41   9.512  -2.965  16.456
  296    HA   LYS  41           HA       LYS  41  11.263  -1.055  17.740
  297    HB2  LYS  41           2HB      LYS  41  10.442   0.968  16.805
  298    HB3  LYS  41           3HB      LYS  41  10.964  -0.023  15.451
  299    HG2  LYS  41           2HG      LYS  41   8.564  -0.624  15.006
  300    HG3  LYS  41           3HG      LYS  41   8.076   0.409  16.360
  301    HD2  LYS  41           2HD      LYS  41   9.200   2.352  15.199
  302    HD3  LYS  41           3HD      LYS  41   9.461   1.291  13.800
  303    HE2  LYS  41           2HE      LYS  41   6.955   0.905  13.722
  304    HE3  LYS  41           3HE      LYS  41   6.783   2.080  15.042
  305    HZ1  LYS  41           3HZ      LYS  41   7.692   2.580  12.282
  306    HZ2  LYS  41           1HZ      LYS  41   6.390   3.182  12.977
  307    HZ3  LYS  41           2HZ      LYS  41   7.853   3.715  13.494
  308    H    GLU  42           H        GLU  42   9.793   0.551  19.063
  309    HA   GLU  42           HA       GLU  42   7.479  -0.986  20.149
  310    HB2  GLU  42           2HB      GLU  42   9.439   1.028  21.254
  311    HB3  GLU  42           3HB      GLU  42   7.774   1.140  21.795
  312    HG2  GLU  42           2HG      GLU  42   8.856  -0.202  23.383
  313    HG3  GLU  42           3HG      GLU  42   7.806  -1.262  22.447
  314    H    ILE  43           H        ILE  43   5.433  -0.026  20.187
  315    HA   ILE  43           HA       ILE  43   5.084   2.679  19.063
  316    HB   ILE  43           HB       ILE  43   3.079   1.821  17.837
  317   HG12  ILE  43          2HG1      ILE  43   4.277  -0.962  18.130
  318   HG13  ILE  43          3HG1      ILE  43   2.910  -0.383  19.074
  319   HG21  ILE  43          1HG2      ILE  43   5.221   2.375  16.732
  320   HG22  ILE  43          2HG2      ILE  43   5.728   0.679  16.880
  321   HG23  ILE  43          3HG2      ILE  43   4.334   1.107  15.870
  322   HD11  ILE  43          3HD1      ILE  43   1.582  -0.061  17.030
  323   HD12  ILE  43          1HD1      ILE  43   2.932  -0.690  16.051
  324   HD13  ILE  43          2HD1      ILE  43   2.126  -1.733  17.231
  325    H    VAL  44           H        VAL  44   3.318   3.775  19.904
  326    HA   VAL  44           HA       VAL  44   2.114   2.589  22.383
  327    HB   VAL  44           HB       VAL  44   2.702   5.433  21.482
  328   HG11  VAL  44          1HG1      VAL  44   1.455   4.534  24.102
  329   HG12  VAL  44          2HG1      VAL  44   1.948   6.186  23.708
  330   HG13  VAL  44          3HG1      VAL  44   0.612   5.431  22.830
  331   HG21  VAL  44          3HG2      VAL  44   3.820   3.901  23.861
  332   HG22  VAL  44          1HG2      VAL  44   4.673   4.115  22.315
  333   HG23  VAL  44          2HG2      VAL  44   4.272   5.528  23.293
  334    H    ARG  45           H        ARG  45  -0.061   2.176  22.354
  335    HA   ARG  45           HA       ARG  45  -1.760   3.366  20.171
  336    HE   ARG  45           HE       ARG  45  -0.408   3.311  18.587
  337    HB2  ARG  45           2HB      ARG  45  -1.685   0.476  21.156
  338    HB3  ARG  45           3HB      ARG  45  -2.830   1.120  19.990
  339    HG2  ARG  45           2HG      ARG  45   0.185   0.887  19.516
  340    HG3  ARG  45           3HG      ARG  45  -1.003  -0.298  19.058
  341    HD2  ARG  45           2HD      ARG  45  -0.820   0.777  17.072
  342    HD3  ARG  45           3HD      ARG  45  -2.166   1.695  17.757
  343   HH11  ARG  45          1HH2      ARG  45   0.124   1.609  15.492
  344   HH12  ARG  45          2HH2      ARG  45   1.561   2.527  15.132
  345   HH21  ARG  45          1HH1      ARG  45   1.430   4.406  18.096
  346   HH22  ARG  45          2HH1      ARG  45   2.295   4.146  16.592
  347    H    GLY  46           H        GLY  46  -3.651   4.202  21.010
  348    HA2  GLY  46           2HA      GLY  46  -4.665   3.316  23.666
  349    HA3  GLY  46           3HA      GLY  46  -3.953   4.927  23.553
  350    H    TYR  47           H        TYR  47  -6.175   2.926  21.532
  351    HA   TYR  47           HA       TYR  47  -7.620   5.260  20.647
  352    HD1  TYR  47           HD1      TYR  47  -7.380   5.162  18.128
  353    HD2  TYR  47           HD2      TYR  47  -6.404   1.183  19.502
  354    HE1  TYR  47           HE1      TYR  47  -5.582   5.044  16.462
  355    HE2  TYR  47           HE2      TYR  47  -4.573   1.064  17.814
  356    HH   TYR  47           HH       TYR  47  -3.789   3.850  15.685
  357    HB2  TYR  47           2HB      TYR  47  -8.305   2.301  20.409
  358    HB3  TYR  47           3HB      TYR  47  -9.021   3.634  19.502
  359    H    LYS  48           H        LYS  48  -9.635   5.979  21.213
  360    HA   LYS  48           HA       LYS  48 -10.511   5.618  23.881
  361    HB2  LYS  48           2HB      LYS  48 -10.816   7.649  22.469
  362    HB3  LYS  48           3HB      LYS  48 -12.011   6.788  21.481
  363    HG2  LYS  48           2HG      LYS  48 -13.454   6.516  23.490
  364    HG3  LYS  48           3HG      LYS  48 -12.232   7.338  24.462
  365    HD2  LYS  48           2HD      LYS  48 -13.839   8.572  22.179
  366    HD3  LYS  48           3HD      LYS  48 -14.142   8.772  23.903
  367    HE2  LYS  48           2HE      LYS  48 -12.892  10.622  23.806
  368    HE3  LYS  48           3HE      LYS  48 -11.503   9.533  23.782
  369    HZ1  LYS  48           3HZ      LYS  48 -12.808  10.719  21.398
  370    HZ2  LYS  48           1HZ      LYS  48 -11.325  11.094  21.998
  371    HZ3  LYS  48           2HZ      LYS  48 -11.550   9.655  21.326
  372    H    TRP  49           H        TRP  49 -11.646   4.060  20.855
  373    HA   TRP  49           HA       TRP  49 -14.117   3.182  21.933
  374    HD1  TRP  49           HD1      TRP  49 -12.131   4.005  17.980
  375    HE1  TRP  49           HE1      TRP  49 -10.023   2.975  16.989
  376    HE3  TRP  49           HE3      TRP  49 -12.123  -0.486  20.499
  377    HZ2  TRP  49           HZ2      TRP  49  -8.341   0.672  17.483
  378    HZ3  TRP  49           HZ3      TRP  49 -10.199  -1.996  20.313
  379    HH2  TRP  49           HH2      TRP  49  -8.277  -1.423  18.865
  380    HB2  TRP  49           2HB      TRP  49 -14.111   1.628  19.939
  381    HB3  TRP  49           3HB      TRP  49 -13.950   3.336  19.600
  382    H    ALA  50           H        ALA  50 -10.926   1.871  22.500
  383    HA   ALA  50           HA       ALA  50 -11.678  -0.864  22.727
  384    HB1  ALA  50           3HB      ALA  50  -9.367  -0.177  22.422
  385    HB2  ALA  50           1HB      ALA  50  -9.375   0.691  23.985
  386    HB3  ALA  50           2HB      ALA  50  -9.532  -1.070  23.944
  387    H    GLU  51           H        GLU  51 -12.624  -1.984  24.287
  388    HA   GLU  51           HA       GLU  51 -13.622  -0.739  26.704
  389    HB2  GLU  51           2HB      GLU  51 -13.371  -3.653  25.829
  390    HB3  GLU  51           3HB      GLU  51 -14.182  -3.150  27.309
  391    HG2  GLU  51           2HG      GLU  51 -15.005  -2.284  24.499
  392    HG3  GLU  51           3HG      GLU  51 -15.737  -3.592  25.416
  393    H    TYR  52           H        TYR  52 -10.722  -2.586  25.883
  394    HA   TYR  52           HA       TYR  52  -9.505  -2.093  28.510
  395    HD1  TYR  52           HD1      TYR  52  -9.890  -3.564  30.884
  396    HD2  TYR  52           HD2      TYR  52 -12.278  -5.289  27.734
  397    HE1  TYR  52           HE1      TYR  52 -11.766  -3.853  32.472
  398    HE2  TYR  52           HE2      TYR  52 -14.158  -5.576  29.309
  399    HH   TYR  52           HH       TYR  52 -14.895  -5.257  31.487
  400    HB2  TYR  52           2HB      TYR  52  -9.922  -4.908  27.391
  401    HB3  TYR  52           3HB      TYR  52  -8.882  -4.518  28.748
  402    H    HIS  53           H        HIS  53  -7.206  -2.799  28.466
  403    HA   HIS  53           HA       HIS  53  -5.648  -2.085  26.228
  404    HD2  HIS  53           HD2      HIS  53  -4.654  -6.088  28.360
  405    HE1  HIS  53           HE1      HIS  53  -6.736  -4.752  31.836
  406    HE2  HIS  53           HE2      HIS  53  -5.811  -6.787  30.605
  407    HB2  HIS  53           2HB      HIS  53  -3.916  -3.575  27.456
  408    HB3  HIS  53           3HB      HIS  53  -4.579  -2.195  28.325
  409    H    ALA  54           H        ALA  54  -7.000  -5.299  27.098
  410    HA   ALA  54           HA       ALA  54  -5.560  -6.799  25.170
  411    HB1  ALA  54           3HB      ALA  54  -7.301  -8.495  25.539
  412    HB2  ALA  54           1HB      ALA  54  -6.768  -7.803  27.082
  413    HB3  ALA  54           2HB      ALA  54  -8.324  -7.304  26.364
  414    H    ASP  55           H        ASP  55  -8.482  -4.767  24.822
  415    HA   ASP  55           HA       ASP  55  -9.328  -5.949  22.313
  416    HB2  ASP  55           2HB      ASP  55 -10.731  -4.583  24.023
  417    HB3  ASP  55           3HB      ASP  55  -9.945  -3.160  23.352
  418    H    ILE  56           H        ILE  56  -7.312  -3.185  23.342
  419    HA   ILE  56           HA       ILE  56  -6.776  -2.161  20.712
  420    HB   ILE  56           HB       ILE  56  -4.975  -2.053  23.181
  421   HG12  ILE  56          2HG1      ILE  56  -7.065  -0.033  22.293
  422   HG13  ILE  56          3HG1      ILE  56  -7.220  -1.144  23.664
  423   HG21  ILE  56          1HG2      ILE  56  -3.788  -1.481  21.096
  424   HG22  ILE  56          2HG2      ILE  56  -5.053  -0.301  20.689
  425   HG23  ILE  56          3HG2      ILE  56  -3.989  -0.052  22.092
  426   HD11  ILE  56          3HD1      ILE  56  -5.253  -0.075  24.750
  427   HD12  ILE  56          1HD1      ILE  56  -5.253   1.146  23.451
  428   HD13  ILE  56          2HD1      ILE  56  -6.646   1.002  24.526
  429    H    TYR  57           H        TYR  57  -4.990  -4.450  22.863
  430    HA   TYR  57           HA       TYR  57  -2.836  -4.846  21.112
  431    HD1  TYR  57           HD2      TYR  57  -1.029  -6.201  20.989
  432    HD2  TYR  57           HD1      TYR  57  -2.964  -8.547  24.052
  433    HE1  TYR  57           HE2      TYR  57   0.673  -7.972  20.705
  434    HE2  TYR  57           HE1      TYR  57  -1.237 -10.296  23.811
  435    HH   TYR  57           HH       TYR  57   0.729 -10.952  22.694
  436    HB2  TYR  57           2HB      TYR  57  -2.766  -5.438  23.463
  437    HB3  TYR  57           3HB      TYR  57  -4.043  -6.630  23.241
  438    H    ASP  58           H        ASP  58  -5.903  -6.760  21.349
  439    HA   ASP  58           HA       ASP  58  -5.218  -8.664  19.347
  440    HB2  ASP  58           2HB      ASP  58  -7.069  -8.993  20.895
  441    HB3  ASP  58           3HB      ASP  58  -7.922  -7.594  20.229
  442    H    LYS  59           H        LYS  59  -6.973  -5.515  19.101
  443    HA   LYS  59           HA       LYS  59  -7.543  -5.773  16.339
  444    HB2  LYS  59           2HB      LYS  59  -8.666  -4.235  17.895
  445    HB3  LYS  59           3HB      LYS  59  -7.212  -3.265  18.057
  446    HG2  LYS  59           2HG      LYS  59  -8.568  -3.678  15.358
  447    HG3  LYS  59           3HG      LYS  59  -9.158  -2.489  16.517
  448    HD2  LYS  59           2HD      LYS  59  -6.843  -1.453  16.542
  449    HD3  LYS  59           3HD      LYS  59  -6.426  -2.470  15.161
  450    HE2  LYS  59           2HE      LYS  59  -8.736  -0.483  15.270
  451    HE3  LYS  59           3HE      LYS  59  -7.158  -0.155  14.549
  452    HZ1  LYS  59           3HZ      LYS  59  -7.568  -1.911  12.958
  453    HZ2  LYS  59           1HZ      LYS  59  -9.062  -2.201  13.630
  454    HZ3  LYS  59           2HZ      LYS  59  -8.750  -0.763  12.894
  455    H    VAL  60           H        VAL  60  -4.808  -4.182  18.020
  456    HA   VAL  60           HA       VAL  60  -3.557  -3.185  15.646
  457    HB   VAL  60           HB       VAL  60  -2.557  -3.729  18.472
  458   HG11  VAL  60          1HG1      VAL  60  -1.187  -2.073  16.309
  459   HG12  VAL  60          2HG1      VAL  60  -0.646  -2.261  17.988
  460   HG13  VAL  60          3HG1      VAL  60  -0.615  -3.642  16.903
  461   HG21  VAL  60          3HG2      VAL  60  -4.390  -1.949  18.106
  462   HG22  VAL  60          1HG2      VAL  60  -2.905  -1.369  18.828
  463   HG23  VAL  60          2HG2      VAL  60  -3.229  -1.074  17.103
  464    H    SER  61           H        SER  61  -3.071  -6.279  17.541
  465    HA   SER  61           HA       SER  61  -0.939  -7.217  15.929
  466    HG   SER  61           HG       SER  61  -2.169  -7.593  18.823
  467    HB2  SER  61           2HB      SER  61  -3.122  -8.840  17.300
  468    HB3  SER  61           3HB      SER  61  -1.536  -9.432  16.760
  469    H    GLY  62           H        GLY  62  -4.499  -7.523  15.482
  470    HA2  GLY  62           2HA      GLY  62  -4.432  -9.068  13.098
  471    HA3  GLY  62           3HA      GLY  62  -5.723  -7.959  13.610
  472    H    ASP  63           H        ASP  63  -4.376  -5.482  13.596
  473    HA   ASP  63           HA       ASP  63  -4.532  -4.795  10.823
  474    HB2  ASP  63           2HB      ASP  63  -4.915  -3.183  12.694
  475    HB3  ASP  63           3HB      ASP  63  -3.175  -3.184  13.021
  476    H    MET  64           H        MET  64  -1.670  -5.133  12.987
  477    HA   MET  64           HA       MET  64   0.246  -4.512  11.006
  478    HB2  MET  64           2HB      MET  64   0.337  -6.023  13.628
  479    HB3  MET  64           3HB      MET  64   1.721  -6.100  12.542
  480    HG2  MET  64           2HG      MET  64   2.136  -4.299  14.011
  481    HG3  MET  64           3HG      MET  64   1.796  -3.622  12.425
  482    HE1  MET  64           3HE      MET  64   0.151  -1.767  12.030
  483    HE2  MET  64           1HE      MET  64  -0.483  -0.849  13.412
  484    HE3  MET  64           2HE      MET  64   1.270  -1.150  13.272
  485    H    GLN  65           H        GLN  65  -1.240  -7.671  11.835
  486    HA   GLN  65           HA       GLN  65   0.395  -9.210  10.066
  487    HB2  GLN  65           2HB      GLN  65  -2.358  -9.605  11.275
  488    HB3  GLN  65           3HB      GLN  65  -1.598 -10.819  10.235
  489    HG2  GLN  65           2HG      GLN  65   0.259 -11.116  11.737
  490    HG3  GLN  65           3HG      GLN  65  -0.158  -9.696  12.677
  491   HE21  GLN  65          2HE2      GLN  65   0.036 -11.245  14.561
  492   HE22  GLN  65          1HE2      GLN  65  -1.394 -12.180  14.940
  493    H    LYS  66           H        LYS  66  -2.557  -7.268   9.470
  494    HA   LYS  66           HA       LYS  66  -2.728  -8.136   6.686
  495    HB2  LYS  66           2HB      LYS  66  -3.932  -5.716   8.109
  496    HB3  LYS  66           3HB      LYS  66  -4.246  -6.163   6.430
  497    HG2  LYS  66           2HG      LYS  66  -5.092  -8.383   7.171
  498    HG3  LYS  66           3HG      LYS  66  -4.878  -7.908   8.853
  499    HD2  LYS  66           2HD      LYS  66  -6.707  -6.518   6.854
  500    HD3  LYS  66           3HD      LYS  66  -7.213  -7.715   8.063
  501    HE2  LYS  66           2HE      LYS  66  -6.387  -6.222   9.882
  502    HE3  LYS  66           3HE      LYS  66  -5.944  -5.006   8.674
  503    HZ1  LYS  66           3HZ      LYS  66  -8.080  -4.529   9.629
  504    HZ2  LYS  66           1HZ      LYS  66  -8.259  -4.865   8.039
  505    HZ3  LYS  66           2HZ      LYS  66  -8.700  -5.986   9.161
  506    H    GLN  67           H        GLN  67  -0.852  -5.624   8.371
  507    HA   GLN  67           HA       GLN  67  -0.118  -4.242   5.926
  508    HB2  GLN  67           2HB      GLN  67   1.507  -4.375   8.516
  509    HB3  GLN  67           3HB      GLN  67   1.685  -3.225   7.209
  510    HG2  GLN  67           2HG      GLN  67  -0.640  -3.432   9.144
  511    HG3  GLN  67           3HG      GLN  67   0.614  -2.219   9.154
  512   HE21  GLN  67          2HE2      GLN  67  -2.168  -1.635   9.135
  513   HE22  GLN  67          1HE2      GLN  67  -2.518  -0.841   7.603
  514    H    GLY  68           H        GLY  68   1.600  -6.534   8.041
  515    HA2  GLY  68           2HA      GLY  68   2.814  -8.444   6.751
  516    HA3  GLY  68           3HA      GLY  68   3.629  -7.086   5.938
  517    H    CYS  69           H        CYS  69   2.547  -7.541   9.363
  518    HA   CYS  69           HA       CYS  69   5.264  -7.527  10.446
  519    HG   CYS  69           HG       CYS  69   4.980  -5.303   8.774
  520    HB2  CYS  69           2HB      CYS  69   3.153  -5.360  10.918
  521    HB3  CYS  69           3HB      CYS  69   4.521  -5.641  12.010
  522    H    ASP  70           H        ASP  70   4.866  -7.733  13.016
  523    HA   ASP  70           HA       ASP  70   2.224  -8.803  13.731
  524    HB2  ASP  70           2HB      ASP  70   3.500 -10.802  12.920
  525    HB3  ASP  70           3HB      ASP  70   4.735 -10.474  14.141
  526    H    CYS  71           H        CYS  71   2.258  -9.205  16.264
  527    HA   CYS  71           HA       CYS  71   3.921  -7.040  17.481
  528    HG   CYS  71           HG       CYS  71   1.754  -6.304  15.428
  529    HB2  CYS  71           2HB      CYS  71   0.908  -7.488  17.614
  530    HB3  CYS  71           3HB      CYS  71   1.789  -6.425  18.713
  531    H    GLU  72           H        GLU  72   4.116  -7.062  19.743
  532    HA   GLU  72           HA       GLU  72   3.023  -9.300  21.305
  533    HB2  GLU  72           2HB      GLU  72   5.232 -10.089  20.656
  534    HB3  GLU  72           3HB      GLU  72   5.976  -8.552  21.135
  535    HG2  GLU  72           2HG      GLU  72   5.404  -8.943  23.473
  536    HG3  GLU  72           3HG      GLU  72   4.462 -10.374  23.054
  537    H    CYS  73           H        CYS  73   2.021  -8.259  23.042
  538    HA   CYS  73           HA       CYS  73   2.405  -5.412  23.461
  539    HG   CYS  73           HG       CYS  73  -0.411  -5.470  26.198
  540    HB2  CYS  73           2HB      CYS  73   0.259  -6.743  23.928
  541    HB3  CYS  73           3HB      CYS  73   1.088  -7.353  25.386
  542    H    LEU  74           H        LEU  74   3.748  -4.384  24.916
  543    HA   LEU  74           HA       LEU  74   5.576  -6.070  26.553
  544    HG   LEU  74           HG       LEU  74   6.280  -4.208  23.941
  545    HB2  LEU  74           2HB      LEU  74   5.617  -3.074  25.997
  546    HB3  LEU  74           3HB      LEU  74   6.800  -3.980  26.935
  547   HD11  LEU  74          1HD1      LEU  74   7.582  -2.252  24.680
  548   HD12  LEU  74          2HD1      LEU  74   8.712  -3.305  25.542
  549   HD13  LEU  74          3HD1      LEU  74   8.594  -3.384  23.766
  550   HD21  LEU  74          3HD2      LEU  74   6.826  -6.464  24.697
  551   HD22  LEU  74          1HD2      LEU  74   8.245  -5.778  23.916
  552   HD23  LEU  74          2HD2      LEU  74   8.163  -5.851  25.694
  553    H    GLY  75           H        GLY  75   2.749  -3.921  26.788
  554    HA2  GLY  75           2HA      GLY  75   2.058  -4.638  29.365
  555    HA3  GLY  75           3HA      GLY  75   3.171  -3.291  29.565
  556    H    GLY  76           H        GLY  76   0.629  -2.973  30.443
  557    HA2  GLY  76           2HA      GLY  76  -0.634  -1.127  28.472
  558    HA3  GLY  76           3HA      GLY  76  -1.612  -2.252  29.389
  559    H    GLY  77           H        GLY  77  -1.948   0.507  29.531
  560    HA2  GLY  77           2HA      GLY  77  -1.532   1.186  32.342
  561    HA3  GLY  77           3HA      GLY  77  -0.502   2.060  31.201
  562    H    ARG  78           H        ARG  78  -1.669   3.998  31.778
  563    HA   ARG  78           HA       ARG  78  -4.292   4.386  30.428
  564    HE   ARG  78           HE       ARG  78  -5.768   1.900  34.773
  565    HB2  ARG  78           2HB      ARG  78  -3.474   5.143  33.283
  566    HB3  ARG  78           3HB      ARG  78  -4.877   5.835  32.455
  567    HG2  ARG  78           2HG      ARG  78  -5.926   3.666  32.246
  568    HG3  ARG  78           3HG      ARG  78  -4.506   2.856  32.949
  569    HD2  ARG  78           2HD      ARG  78  -4.853   4.141  35.052
  570    HD3  ARG  78           3HD      ARG  78  -6.343   4.820  34.366
  571   HH11  ARG  78          1HH2      ARG  78  -8.120   4.569  35.070
  572   HH12  ARG  78          2HH2      ARG  78  -9.447   3.538  35.484
  573   HH21  ARG  78          1HH1      ARG  78  -7.465   0.563  35.289
  574   HH22  ARG  78          2HH1      ARG  78  -9.051   1.155  35.660
  575    H    ILE  79           H        ILE  79  -4.689   6.525  29.839
  576    HA   ILE  79           HA       ILE  79  -2.460   8.497  30.049
  577    HB   ILE  79           HB       ILE  79  -4.537   8.282  27.849
  578   HG12  ILE  79          2HG1      ILE  79  -3.012   6.379  27.536
  579   HG13  ILE  79          3HG1      ILE  79  -3.047   7.519  26.214
  580   HG21  ILE  79          1HG2      ILE  79  -2.098  10.079  28.137
  581   HG22  ILE  79          2HG2      ILE  79  -3.068   9.945  26.657
  582   HG23  ILE  79          3HG2      ILE  79  -3.810  10.560  28.129
  583   HD11  ILE  79          3HD1      ILE  79  -0.869   8.463  26.914
  584   HD12  ILE  79          1HD1      ILE  79  -0.829   7.306  28.269
  585   HD13  ILE  79          2HD1      ILE  79  -0.786   6.728  26.590
  586    H    SER  80           H        SER  80  -3.276  10.532  30.810
  587    HA   SER  80           HA       SER  80  -6.145  11.113  30.634
  588    HG   SER  80           HG       SER  80  -6.031   9.200  32.005
  589    HB2  SER  80           2HB      SER  80  -4.707  11.096  33.332
  590    HB3  SER  80           3HB      SER  80  -6.376  11.629  33.039
  591    H    HIS  81           H        HIS  81  -6.464  13.464  30.757
  592    HA   HIS  81           HA       HIS  81  -4.065  14.878  29.964
  593    HD1  HIS  81           HD1      HIS  81  -6.789  18.157  31.089
  594    HD2  HIS  81           HD2      HIS  81  -8.611  14.508  30.064
  595    HE1  HIS  81           HE1      HIS  81  -9.171  18.230  32.028
  596    HB2  HIS  81           2HB      HIS  81  -5.490  16.654  29.313
  597    HB3  HIS  81           3HB      HIS  81  -6.255  15.150  28.824
  598    H    GLN  82           H        GLN  82  -5.377  14.298  32.972
  599    HA   GLN  82           HA       GLN  82  -3.493  15.933  34.350
  600    HB2  GLN  82           2HB      GLN  82  -5.149  16.958  35.892
  601    HB3  GLN  82           3HB      GLN  82  -5.183  17.654  34.272
  602    HG2  GLN  82           2HG      GLN  82  -7.236  16.365  33.751
  603    HG3  GLN  82           3HG      GLN  82  -7.174  15.594  35.340
  604   HE21  GLN  82          2HE2      GLN  82  -7.188  18.924  33.883
  605   HE22  GLN  82          1HE2      GLN  82  -8.252  19.566  35.132
  606    H    SER  83           H        SER  83  -3.317  15.043  36.539
  607    HA   SER  83           HA       SER  83  -5.179  13.160  37.599
  608    HG   SER  83           HG       SER  83  -4.881  12.034  35.478
  609    HB2  SER  83           2HB      SER  83  -2.587  12.009  36.503
  610    HB3  SER  83           3HB      SER  83  -3.541  11.210  37.769
  611    H    GLN  84           H        GLN  84  -1.689  12.757  38.196
  612    HA   GLN  84           HA       GLN  84  -2.037  13.795  40.902
  613    HB2  GLN  84           2HB      GLN  84   0.388  12.674  39.423
  614    HB3  GLN  84           3HB      GLN  84   0.336  13.081  41.146
  615    HG2  GLN  84           2HG      GLN  84  -1.527  11.440  41.465
  616    HG3  GLN  84           3HG      GLN  84  -1.389  10.969  39.767
  617   HE21  GLN  84          2HE2      GLN  84   0.635   9.924  39.031
  618   HE22  GLN  84          1HE2      GLN  84   1.578   9.056  40.245
  619    H    ASP  85           H        ASP  85  -1.268  15.177  37.889
  620    HA   ASP  85           HA       ASP  85  -0.725  17.750  39.136
  621    HB2  ASP  85           2HB      ASP  85   1.552  16.906  38.589
  622    HB3  ASP  85           3HB      ASP  85   1.034  16.602  36.926
  623    H    LYS  86           H        LYS  86  -1.168  19.419  37.400
  624    HA   LYS  86           HA       LYS  86  -3.625  18.594  36.012
  625    HB2  LYS  86           2HB      LYS  86  -3.315  20.675  37.498
  626    HB3  LYS  86           3HB      LYS  86  -2.469  21.402  36.126
  627    HG2  LYS  86           2HG      LYS  86  -4.548  20.971  34.726
  628    HG3  LYS  86           3HG      LYS  86  -5.346  20.343  36.167
  629    HD2  LYS  86           2HD      LYS  86  -4.263  23.174  35.830
  630    HD3  LYS  86           3HD      LYS  86  -5.954  22.688  35.627
  631    HE2  LYS  86           2HE      LYS  86  -6.017  21.921  38.003
  632    HE3  LYS  86           3HE      LYS  86  -4.343  22.457  38.210
  633    HZ1  LYS  86           3HZ      LYS  86  -5.903  24.103  39.008
  634    HZ2  LYS  86           1HZ      LYS  86  -5.063  24.708  37.733
  635    HZ3  LYS  86           2HZ      LYS  86  -6.626  24.219  37.539
  636    H    LYS  87           H        LYS  87  -1.585  17.270  34.779
  637    HA   LYS  87           HA       LYS  87  -1.568  18.477  32.141
  638    HB2  LYS  87           2HB      LYS  87   0.736  18.755  33.855
  639    HB3  LYS  87           3HB      LYS  87   1.159  17.519  32.689
  640    HG2  LYS  87           2HG      LYS  87   0.182  20.340  32.065
  641    HG3  LYS  87           3HG      LYS  87   1.838  19.737  31.921
  642    HD2  LYS  87           2HD      LYS  87   1.052  18.096  30.193
  643    HD3  LYS  87           3HD      LYS  87  -0.567  18.836  30.279
  644    HE2  LYS  87           2HE      LYS  87   0.571  21.057  29.736
  645    HE3  LYS  87           3HE      LYS  87   2.012  20.101  29.327
  646    HZ1  LYS  87           3HZ      LYS  87   0.665  18.928  27.631
  647    HZ2  LYS  87           1HZ      LYS  87  -0.650  19.858  28.015
  648    HZ3  LYS  87           2HZ      LYS  87   0.714  20.448  27.325
  649    H    ILE  88           H        ILE  88  -0.515  16.911  30.520
  650    HA   ILE  88           HA       ILE  88  -1.932  14.523  30.575
  651    HB   ILE  88           HB       ILE  88   0.649  14.874  29.026
  652   HG12  ILE  88          2HG1      ILE  88  -0.434  16.931  28.524
  653   HG13  ILE  88          3HG1      ILE  88  -0.590  15.862  27.152
  654   HG21  ILE  88          1HG2      ILE  88  -0.566  13.491  27.337
  655   HG22  ILE  88          2HG2      ILE  88  -0.387  12.663  28.885
  656   HG23  ILE  88          3HG2      ILE  88  -1.949  13.370  28.447
  657   HD11  ILE  88          3HD1      ILE  88  -2.786  16.553  29.148
  658   HD12  ILE  88          1HD1      ILE  88  -2.656  17.081  27.466
  659   HD13  ILE  88          2HD1      ILE  88  -2.966  15.376  27.819
  660    H    HIS  89           H        HIS  89  -1.561  12.585  31.524
  661    HA   HIS  89           HA       HIS  89   1.046  12.080  32.843
  662    HD1  HIS  89           HD1      HIS  89   1.881  12.764  35.424
  663    HD2  HIS  89           HD2      HIS  89  -1.284  10.060  36.030
  664    HE1  HIS  89           HE1      HIS  89   2.531  11.329  37.445
  665    HB2  HIS  89           2HB      HIS  89  -0.584  13.324  34.310
  666    HB3  HIS  89           3HB      HIS  89  -1.691  11.957  34.179
  667    H    VAL  90           H        VAL  90   1.547   9.922  32.968
  668    HA   VAL  90           HA       VAL  90  -0.319   8.009  31.673
  669    HB   VAL  90           HB       VAL  90   2.679   8.376  31.267
  670   HG11  VAL  90          1HG1      VAL  90   2.488   6.750  29.483
  671   HG12  VAL  90          2HG1      VAL  90   1.831   6.026  30.974
  672   HG13  VAL  90          3HG1      VAL  90   0.728   6.635  29.735
  673   HG21  VAL  90          3HG2      VAL  90   1.545  10.217  30.150
  674   HG22  VAL  90          1HG2      VAL  90   1.993   9.041  28.911
  675   HG23  VAL  90          2HG2      VAL  90   0.311   9.127  29.480
  676    H    TYR  91           H        TYR  91  -0.629   6.155  32.885
  677    HA   TYR  91           HA       TYR  91   1.233   5.367  35.001
  678    HD1  TYR  91           HD1      TYR  91  -1.442   8.375  34.213
  679    HD2  TYR  91           HD2      TYR  91  -2.645   5.443  37.142
  680    HE1  TYR  91           HE1      TYR  91  -3.769   9.002  33.853
  681    HE2  TYR  91           HE2      TYR  91  -5.016   6.098  36.797
  682    HH   TYR  91           HH       TYR  91  -5.979   8.594  34.399
  683    HB2  TYR  91           2HB      TYR  91  -0.307   5.924  36.828
  684    HB3  TYR  91           3HB      TYR  91   0.175   7.362  35.983
  685    H    GLY  92           H        GLY  92  -0.683   3.886  36.551
  686    HA2  GLY  92           2HA      GLY  92  -2.224   2.189  36.476
  687    HA3  GLY  92           3HA      GLY  92  -2.388   2.383  34.731
  688    H    TYR  93           H        TYR  93  -2.432  -0.074  35.113
  689    HA   TYR  93           HA       TYR  93  -0.032  -0.995  33.920
  690    HD1  TYR  93           HD1      TYR  93  -1.493  -1.164  37.942
  691    HD2  TYR  93           HD2      TYR  93  -0.296  -4.722  35.826
  692    HE1  TYR  93           HE1      TYR  93  -2.864  -2.513  39.472
  693    HE2  TYR  93           HE2      TYR  93  -1.648  -6.099  37.384
  694    HH   TYR  93           HH       TYR  93  -3.558  -4.657  40.046
  695    HB2  TYR  93           2HB      TYR  93   0.757  -2.644  35.345
  696    HB3  TYR  93           3HB      TYR  93   0.577  -1.263  36.394
  697    H    SER  94           H        SER  94  -0.435  -3.366  33.142
  698    HA   SER  94           HA       SER  94  -3.309  -4.154  33.377
  699    HG   SER  94           HG       SER  94  -4.196  -3.097  30.792
  700    HB2  SER  94           2HB      SER  94  -1.640  -4.001  30.844
  701    HB3  SER  94           3HB      SER  94  -3.171  -4.879  30.984
  702    H    MET  95           H        MET  95  -3.286  -5.929  34.471
  703    HA   MET  95           HA       MET  95  -1.160  -7.517  35.181
  704    HB2  MET  95           2HB      MET  95  -2.781  -8.975  36.139
  705    HB3  MET  95           3HB      MET  95  -3.413  -7.342  36.277
  706    HG2  MET  95           2HG      MET  95  -4.267  -9.479  34.290
  707    HG3  MET  95           3HG      MET  95  -5.165  -8.914  35.686
  708    HE1  MET  95           3HE      MET  95  -7.462  -7.798  32.751
  709    HE2  MET  95           1HE      MET  95  -6.467  -9.273  32.839
  710    HE3  MET  95           2HE      MET  95  -7.340  -8.692  34.280
  711    H    ALA  96           H        ALA  96  -2.957  -7.739  32.198
  712    HA   ALA  96           HA       ALA  96  -2.411 -10.413  31.469
  713    HB1  ALA  96           3HB      ALA  96  -4.037  -8.980  30.296
  714    HB2  ALA  96           1HB      ALA  96  -2.716  -7.926  29.723
  715    HB3  ALA  96           2HB      ALA  96  -2.823  -9.603  29.162
  716    H    TYR  97           H        TYR  97  -0.203  -7.635  31.568
  717    HA   TYR  97           HA       TYR  97   1.951  -9.361  30.540
  718    HD1  TYR  97           HD1      TYR  97   0.010  -5.540  29.376
  719    HD2  TYR  97           HD2      TYR  97   0.355  -9.339  27.389
  720    HE1  TYR  97           HE1      TYR  97  -2.037  -5.028  28.088
  721    HE2  TYR  97           HE2      TYR  97  -1.722  -8.868  26.112
  722    HH   TYR  97           HH       TYR  97  -3.420  -5.732  26.320
  723    HB2  TYR  97           2HB      TYR  97   2.210  -6.800  29.221
  724    HB3  TYR  97           3HB      TYR  97   2.253  -8.402  28.564
  725    H    GLY  98           H        GLY  98   1.052  -6.138  31.897
  726    HA2  GLY  98           2HA      GLY  98   2.615  -5.786  33.988
  727    HA3  GLY  98           3HA      GLY  98   3.842  -5.661  32.713
  728    HA   PRO  99           HA       PRO  99   1.867  -1.414  33.049
  729    HB2  PRO  99           2HB      PRO  99   4.094  -0.010  33.775
  730    HB3  PRO  99           3HB      PRO  99   2.996  -0.774  34.963
  731    HG2  PRO  99           2HG      PRO  99   5.613  -1.845  33.871
  732    HG3  PRO  99           3HG      PRO  99   5.064  -1.786  35.576
  733    HD2  PRO  99           2HD      PRO  99   4.844  -4.033  34.020
  734    HD3  PRO  99           3HD      PRO  99   3.630  -3.626  35.270
  735    H    ALA 100           H        ALA 100   2.116   0.077  31.357
  736    HA   ALA 100           HA       ALA 100   3.469  -0.893  28.975
  737    HB1  ALA 100           3HB      ALA 100   1.243   0.107  28.876
  738    HB2  ALA 100           1HB      ALA 100   1.847   1.614  29.575
  739    HB3  ALA 100           2HB      ALA 100   2.354   1.093  27.950
  740    H    GLN 101           H        GLN 101   5.363  -0.265  30.966
  741    HA   GLN 101           HA       GLN 101   7.110   1.151  31.601
  742    HB2  GLN 101           2HB      GLN 101   7.385   0.215  28.752
  743    HB3  GLN 101           3HB      GLN 101   8.730   1.031  29.564
  744    HG2  GLN 101           2HG      GLN 101   8.769  -0.680  31.317
  745    HG3  GLN 101           3HG      GLN 101   7.355  -1.480  30.616
  746   HE21  GLN 101          2HE2      GLN 101  10.848  -0.907  30.201
  747   HE22  GLN 101          1HE2      GLN 101  11.037  -2.078  28.911
  748    H    HIS 102           H        HIS 102   5.405   2.907  31.688
  749    HA   HIS 102           HA       HIS 102   4.743   4.713  29.882
  750    HD1  HIS 102           HD1      HIS 102   3.870   4.146  34.590
  751    HD2  HIS 102           HD2      HIS 102   2.756   3.277  30.643
  752    HE1  HIS 102           HE1      HIS 102   2.513   2.001  34.678
  753    HB2  HIS 102           2HB      HIS 102   5.242   5.431  32.779
  754    HB3  HIS 102           3HB      HIS 102   3.996   6.090  31.725
  755    H    ALA 103           H        ALA 103   7.962   4.875  31.395
  756    HA   ALA 103           HA       ALA 103   8.493   7.613  30.722
  757    HB1  ALA 103           3HB      ALA 103  10.832   7.021  30.989
  758    HB2  ALA 103           1HB      ALA 103   9.887   6.270  32.287
  759    HB3  ALA 103           2HB      ALA 103  10.454   5.287  30.919
  760    H    ILE 104           H        ILE 104   8.681   4.554  28.860
  761    HA   ILE 104           HA       ILE 104  10.080   5.662  26.585
  762    HB   ILE 104           HB       ILE 104   8.198   3.253  26.818
  763   HG12  ILE 104          2HG1      ILE 104  11.238   3.408  27.043
  764   HG13  ILE 104          3HG1      ILE 104  10.112   3.041  28.350
  765   HG21  ILE 104          1HG2      ILE 104   8.475   4.035  24.484
  766   HG22  ILE 104          2HG2      ILE 104  10.242   3.900  24.656
  767   HG23  ILE 104          3HG2      ILE 104   9.201   2.458  24.733
  768   HD11  ILE 104          3HD1      ILE 104  10.706   1.276  25.953
  769   HD12  ILE 104          1HD1      ILE 104  11.095   0.987  27.652
  770   HD13  ILE 104          2HD1      ILE 104   9.401   0.971  27.128
  771    H    SER 105           H        SER 105   6.629   4.867  27.240
  772    HA   SER 105           HA       SER 105   5.601   5.946  24.940
  773    HG   SER 105           HG       SER 105   3.969   3.701  27.328
  774    HB2  SER 105           2HB      SER 105   4.193   5.867  27.625
  775    HB3  SER 105           3HB      SER 105   3.461   5.681  26.014
  776    H    THR 106           H        THR 106   6.130   7.691  28.070
  777    HA   THR 106           HA       THR 106   4.699  10.036  27.263
  778    HB   THR 106           HB       THR 106   6.251  11.165  28.998
  779    HG1  THR 106           1HG      THR 106   6.759   8.454  29.685
  780   HG21  THR 106          3HG2      THR 106   3.943  10.437  29.477
  781   HG22  THR 106          1HG2      THR 106   4.528   8.819  29.890
  782   HG23  THR 106          2HG2      THR 106   5.027  10.237  30.849
  783    H    GLU 107           H        GLU 107   8.223   9.214  27.049
  784    HA   GLU 107           HA       GLU 107   8.875  11.674  25.775
  785    HB2  GLU 107           2HB      GLU 107  10.229   8.953  25.759
  786    HB3  GLU 107           3HB      GLU 107  10.943  10.402  25.051
  787    HG2  GLU 107           2HG      GLU 107  10.159  10.072  27.991
  788    HG3  GLU 107           3HG      GLU 107  11.791   9.976  27.339
  789    H    LYS 108           H        LYS 108   7.796   8.534  24.426
  790    HA   LYS 108           HA       LYS 108   8.128   9.215  21.667
  791    HB2  LYS 108           2HB      LYS 108   6.415   7.275  23.224
  792    HB3  LYS 108           3HB      LYS 108   6.053   7.543  21.515
  793    HG2  LYS 108           2HG      LYS 108   8.391   6.969  20.917
  794    HG3  LYS 108           3HG      LYS 108   8.762   6.694  22.627
  795    HD2  LYS 108           2HD      LYS 108   7.094   4.887  22.725
  796    HD3  LYS 108           3HD      LYS 108   6.662   5.144  21.025
  797    HE2  LYS 108           2HE      LYS 108   9.543   4.645  21.815
  798    HE3  LYS 108           3HE      LYS 108   8.431   3.275  21.736
  799    HZ1  LYS 108           3HZ      LYS 108   9.743   3.914  19.642
  800    HZ2  LYS 108           1HZ      LYS 108   8.164   3.523  19.478
  801    HZ3  LYS 108           2HZ      LYS 108   8.589   5.079  19.412
  802    H    ILE 109           H        ILE 109   5.237   9.658  23.801
  803    HA   ILE 109           HA       ILE 109   3.603  10.977  21.879
  804    HB   ILE 109           HB       ILE 109   3.798  11.302  24.906
  805   HG12  ILE 109          2HG1      ILE 109   1.589   9.885  23.375
  806   HG13  ILE 109          3HG1      ILE 109   3.052   9.030  23.835
  807   HG21  ILE 109          1HG2      ILE 109   2.706  13.322  23.958
  808   HG22  ILE 109          2HG2      ILE 109   1.578  12.296  23.058
  809   HG23  ILE 109          3HG2      ILE 109   1.544  12.341  24.832
  810   HD11  ILE 109          3HD1      ILE 109   1.082  10.333  25.754
  811   HD12  ILE 109          1HD1      ILE 109   1.351   8.605  25.483
  812   HD13  ILE 109          2HD1      ILE 109   2.624   9.584  26.230
  813    H    LYS 110           H        LYS 110   5.914  12.314  24.257
  814    HA   LYS 110           HA       LYS 110   5.536  15.039  23.650
  815    HB2  LYS 110           2HB      LYS 110   6.518  13.818  25.623
  816    HB3  LYS 110           3HB      LYS 110   8.030  13.639  24.729
  817    HG2  LYS 110           2HG      LYS 110   8.250  16.125  24.710
  818    HG3  LYS 110           3HG      LYS 110   6.724  16.254  25.604
  819    HD2  LYS 110           2HD      LYS 110   9.305  14.924  26.557
  820    HD3  LYS 110           3HD      LYS 110   8.598  16.428  27.170
  821    HE2  LYS 110           2HE      LYS 110   6.632  15.162  28.005
  822    HE3  LYS 110           3HE      LYS 110   7.338  13.654  27.385
  823    HZ1  LYS 110           3HZ      LYS 110   8.437  15.320  29.536
  824    HZ2  LYS 110           1HZ      LYS 110   7.708  13.900  29.707
  825    HZ3  LYS 110           2HZ      LYS 110   9.155  13.909  28.885
  826    H    ALA 111           H        ALA 111   7.867  12.695  22.230
  827    HA   ALA 111           HA       ALA 111   9.271  14.672  20.695
  828    HB1  ALA 111           3HB      ALA 111  10.264  12.496  21.295
  829    HB2  ALA 111           1HB      ALA 111   9.025  11.641  20.356
  830    HB3  ALA 111           2HB      ALA 111  10.204  12.682  19.530
  831    H    LYS 112           H        LYS 112   6.669  12.288  19.861
  832    HA   LYS 112           HA       LYS 112   6.668  13.058  17.106
  833    HB2  LYS 112           2HB      LYS 112   5.940  10.834  18.002
  834    HB3  LYS 112           3HB      LYS 112   4.548  11.619  18.748
  835    HG2  LYS 112           2HG      LYS 112   3.927  10.442  16.685
  836    HG3  LYS 112           3HG      LYS 112   3.612  12.167  16.548
  837    HD2  LYS 112           2HD      LYS 112   5.668  12.442  15.191
  838    HD3  LYS 112           3HD      LYS 112   6.043  10.712  15.405
  839    HE2  LYS 112           2HE      LYS 112   3.924  10.120  14.262
  840    HE3  LYS 112           3HE      LYS 112   3.527  11.833  14.085
  841    HZ1  LYS 112           3HZ      LYS 112   5.864  10.502  12.842
  842    HZ2  LYS 112           1HZ      LYS 112   4.484  10.941  12.062
  843    HZ3  LYS 112           2HZ      LYS 112   5.471  12.093  12.689
  844    H    TYR 113           H        TYR 113   4.779  14.167  19.904
  845    HA   TYR 113           HA       TYR 113   3.537  16.265  18.205
  846    HD1  TYR 113           HD1      TYR 113   0.925  16.782  17.675
  847    HD2  TYR 113           HD2      TYR 113   1.353  16.293  21.939
  848    HE1  TYR 113           HE1      TYR 113  -0.653  18.654  18.039
  849    HE2  TYR 113           HE2      TYR 113  -0.227  18.158  22.320
  850    HH   TYR 113           HH       TYR 113  -1.739  19.971  19.633
  851    HB2  TYR 113           2HB      TYR 113   1.844  14.630  18.756
  852    HB3  TYR 113           3HB      TYR 113   2.292  14.667  20.458
  853    HA   PRO 114           HA       PRO 114   6.255  18.155  21.325
  854    HB2  PRO 114           2HB      PRO 114   6.281  20.732  20.314
  855    HB3  PRO 114           3HB      PRO 114   7.313  19.397  19.716
  856    HG2  PRO 114           2HG      PRO 114   4.700  20.397  18.568
  857    HG3  PRO 114           3HG      PRO 114   6.209  19.973  17.698
  858    HD2  PRO 114           2HD      PRO 114   4.099  18.265  17.882
  859    HD3  PRO 114           3HD      PRO 114   5.784  17.657  17.910
  860    H    ASP 115           H        ASP 115   5.579  18.829  23.271
  861    HA   ASP 115           HA       ASP 115   3.302  20.616  23.663
  862    HB2  ASP 115           2HB      ASP 115   2.250  18.375  23.426
  863    HB3  ASP 115           3HB      ASP 115   3.325  17.738  24.669
  864    H    TYR 116           H        TYR 116   3.240  21.230  25.929
  865    HA   TYR 116           HA       TYR 116   5.823  22.028  26.751
  866    HD1  TYR 116           HD1      TYR 116   5.543  24.806  27.265
  867    HD2  TYR 116           HD2      TYR 116   1.717  22.929  26.546
  868    HE1  TYR 116           HE1      TYR 116   4.881  26.695  25.807
  869    HE2  TYR 116           HE2      TYR 116   1.052  24.818  25.109
  870    HH   TYR 116           HH       TYR 116   1.696  26.864  24.189
  871    HB2  TYR 116           2HB      TYR 116   3.203  22.085  28.302
  872    HB3  TYR 116           3HB      TYR 116   4.660  22.963  28.741
  873    H    GLU 117           H        GLU 117   3.796  19.305  27.959
  874    HA   GLU 117           HA       GLU 117   6.116  18.075  29.001
  875    HB2  GLU 117           2HB      GLU 117   5.554  19.747  30.888
  876    HB3  GLU 117           3HB      GLU 117   4.048  18.865  31.111
  877    HG2  GLU 117           2HG      GLU 117   5.790  18.216  32.743
  878    HG3  GLU 117           3HG      GLU 117   5.259  16.860  31.761
  879    H    VAL 118           H        VAL 118   5.668  15.895  29.704
  880    HA   VAL 118           HA       VAL 118   2.922  14.896  29.746
  881    HB   VAL 118           HB       VAL 118   4.966  13.349  28.115
  882   HG11  VAL 118          1HG1      VAL 118   3.125  12.047  27.363
  883   HG12  VAL 118          2HG1      VAL 118   2.834  12.283  29.102
  884   HG13  VAL 118          3HG1      VAL 118   1.938  13.238  27.923
  885   HG21  VAL 118          3HG2      VAL 118   2.919  15.243  26.898
  886   HG22  VAL 118          1HG2      VAL 118   4.677  15.415  26.814
  887   HG23  VAL 118          2HG2      VAL 118   3.900  14.054  26.011
  888    H    THR 119           H        THR 119   2.898  13.678  31.635
  889    HA   THR 119           HA       THR 119   5.546  13.075  32.894
  890    HB   THR 119           HB       THR 119   4.296  13.350  35.039
  891    HG1  THR 119           1HG      THR 119   2.261  14.403  33.342
  892   HG21  THR 119          3HG2      THR 119   4.386  15.724  35.110
  893   HG22  THR 119          1HG2      THR 119   5.661  15.185  34.007
  894   HG23  THR 119          2HG2      THR 119   4.146  15.864  33.359
  895    H    TRP 120           H        TRP 120   5.395  11.264  34.636
  896    HA   TRP 120           HA       TRP 120   3.260   9.398  34.106
  897    HD1  TRP 120           HD1      TRP 120   7.145   9.987  32.103
  898    HE1  TRP 120           HE1      TRP 120   9.518   9.419  32.788
  899    HE3  TRP 120           HE3      TRP 120   6.133   6.261  35.471
  900    HZ2  TRP 120           HZ2      TRP 120  10.850   7.658  34.705
  901    HZ3  TRP 120           HZ3      TRP 120   7.973   5.154  36.710
  902    HH2  TRP 120           HH2      TRP 120  10.331   5.855  36.347
  903    HB2  TRP 120           2HB      TRP 120   4.713   7.485  33.662
  904    HB3  TRP 120           3HB      TRP 120   4.805   8.669  32.393
  905    H    ALA 121           H        ALA 121   3.349   7.479  35.451
  906    HA   ALA 121           HA       ALA 121   4.967   7.467  37.873
  907    HB1  ALA 121           3HB      ALA 121   3.035   8.859  38.541
  908    HB2  ALA 121           1HB      ALA 121   1.910   7.596  37.978
  909    HB3  ALA 121           2HB      ALA 121   2.986   7.287  39.360
  910    H    ASN 122           H        ASN 122   3.834   5.298  39.133
  911    HA   ASN 122           HA       ASN 122   3.305   3.225  37.082
  912    HB2  ASN 122           2HB      ASN 122   5.789   3.368  37.338
  913    HB3  ASN 122           3HB      ASN 122   5.597   3.039  39.067
  914   HD21  ASN 122          2HD2      ASN 122   6.625   0.984  39.099
  915   HD22  ASN 122          1HD2      ASN 122   6.008  -0.386  38.206
  916    H    ASP 123           H        ASP 123   1.328   4.130  38.536
  917    HA   ASP 123           HA       ASP 123   0.633   1.903  40.266
  918    HB2  ASP 123           2HB      ASP 123   1.537   3.483  41.920
  919    HB3  ASP 123           3HB      ASP 123   0.553   4.789  41.242
  920    H    GLY 124           H        GLY 124  -1.728   1.808  40.459
  921    HA2  GLY 124           2HA      GLY 124  -3.876   2.969  39.766
  922    HA3  GLY 124           3HA      GLY 124  -3.125   3.149  38.178
  923    H    TYR 125           H        TYR 125  -4.626   1.765  37.110
  924    HA   TYR 125           HA       TYR 125  -3.851  -0.973  37.095
  925    HD1  TYR 125           HD2      TYR 125  -4.364  -2.995  36.615
  926    HD2  TYR 125           HD1      TYR 125  -8.281  -2.177  38.227
  927    HE1  TYR 125           HE2      TYR 125  -5.041  -5.320  36.151
  928    HE2  TYR 125           HE1      TYR 125  -8.971  -4.497  37.740
  929    HH   TYR 125           HH       TYR 125  -8.324  -6.570  36.917
  930    HB2  TYR 125           2HB      TYR 125  -5.621  -1.001  38.879
  931    HB3  TYR 125           3HB      TYR 125  -6.764  -0.343  37.721
  Start of MODEL   16
    1    HA   MET   1           HA       MET   1  -0.096  -8.330   5.067
    2    H1   MET   1           H1       MET   1  -1.954  -9.206   3.889
    3    H2   MET   1           H2       MET   1  -1.527 -10.205   5.137
    4    H3   MET   1           H3       MET   1  -1.157 -10.605   3.572
    5    HB2  MET   1           2HB      MET   1   1.998  -9.420   5.177
    6    HB3  MET   1           3HB      MET   1   0.816 -10.564   5.788
    7    HG2  MET   1           2HG      MET   1   2.020 -10.603   2.983
    8    HG3  MET   1           3HG      MET   1   2.587 -11.549   4.340
    9    HE1  MET   1           3HE      MET   1   1.164 -14.282   1.991
   10    HE2  MET   1           1HE      MET   1   2.000 -12.785   1.524
   11    HE3  MET   1           2HE      MET   1   2.564 -13.718   2.926
   12    H    ALA   2           H        ALA   2   1.757  -7.230   3.923
   13    HA   ALA   2           HA       ALA   2   2.095  -7.737   1.071
   14    HB1  ALA   2           3HB      ALA   2   1.732  -5.357   0.492
   15    HB2  ALA   2           1HB      ALA   2   0.243  -6.056   1.142
   16    HB3  ALA   2           2HB      ALA   2   1.254  -5.008   2.166
   17    H    VAL   3           H        VAL   3   3.877  -5.731   0.514
   18    HA   VAL   3           HA       VAL   3   6.061  -6.115   2.408
   19    HB   VAL   3           HB       VAL   3   7.190  -4.425   0.908
   20   HG11  VAL   3          1HG1      VAL   3   7.573  -6.836   0.717
   21   HG12  VAL   3          2HG1      VAL   3   6.187  -7.002  -0.384
   22   HG13  VAL   3          3HG1      VAL   3   7.618  -6.071  -0.876
   23   HG21  VAL   3          3HG2      VAL   3   6.316  -3.983  -1.314
   24   HG22  VAL   3          1HG2      VAL   3   4.840  -4.907  -0.994
   25   HG23  VAL   3          2HG2      VAL   3   5.155  -3.386  -0.126
   26    H    ALA   4           H        ALA   4   6.883  -4.462   3.759
   27    HA   ALA   4           HA       ALA   4   5.487  -1.980   4.163
   28    HB1  ALA   4           3HB      ALA   4   5.242  -4.222   6.239
   29    HB2  ALA   4           1HB      ALA   4   4.778  -2.527   6.500
   30    HB3  ALA   4           2HB      ALA   4   3.903  -3.501   5.310
   31    H    ASP   5           H        ASP   5   6.501  -1.000   6.290
   32    HA   ASP   5           HA       ASP   5   8.996  -2.136   7.196
   33    HB2  ASP   5           2HB      ASP   5   9.771  -0.828   5.223
   34    HB3  ASP   5           3HB      ASP   5   8.947   0.603   5.848
   35    H    LEU   6           H        LEU   6   9.533  -1.116   9.251
   36    HA   LEU   6           HA       LEU   6   7.268  -0.472  10.818
   37    HG   LEU   6           HG       LEU   6   9.670  -2.418  10.991
   38    HB2  LEU   6           2HB      LEU   6  10.233   0.006  11.336
   39    HB3  LEU   6           3HB      LEU   6   8.973   0.099  12.565
   40   HD11  LEU   6          1HD1      LEU   6  10.689  -3.165  13.089
   41   HD12  LEU   6          2HD1      LEU   6  11.497  -1.729  12.472
   42   HD13  LEU   6          3HD1      LEU   6  10.372  -1.584  13.839
   43   HD21  LEU   6          3HD2      LEU   6   8.324  -3.575  12.744
   44   HD22  LEU   6          1HD2      LEU   6   7.813  -1.995  13.380
   45   HD23  LEU   6          2HD2      LEU   6   7.345  -2.514  11.739
   46    H    ALA   7           H        ALA   7   9.431   1.680   8.990
   47    HA   ALA   7           HA       ALA   7   8.815   4.092  10.391
   48    HB1  ALA   7           3HB      ALA   7  10.680   3.845   8.772
   49    HB2  ALA   7           1HB      ALA   7   9.506   3.661   7.452
   50    HB3  ALA   7           2HB      ALA   7   9.608   5.195   8.340
   51    H    LEU   8           H        LEU   8   6.904   2.161   8.148
   52    HA   LEU   8           HA       LEU   8   5.147   4.346   7.323
   53    HG   LEU   8           HG       LEU   8   6.751   1.897   5.849
   54    HB2  LEU   8           2HB      LEU   8   4.722   1.333   7.151
   55    HB3  LEU   8           3HB      LEU   8   3.809   2.570   6.300
   56   HD11  LEU   8          1HD1      LEU   8   5.998   1.001   3.714
   57   HD12  LEU   8          2HD1      LEU   8   5.114   0.210   5.027
   58   HD13  LEU   8          3HD1      LEU   8   4.317   1.467   4.064
   59   HD21  LEU   8          3HD2      LEU   8   6.587   3.413   3.882
   60   HD22  LEU   8          1HD2      LEU   8   4.970   3.926   4.422
   61   HD23  LEU   8          2HD2      LEU   8   6.412   4.285   5.409
   62    H    ILE   9           H        ILE   9   5.367   2.240  10.096
   63    HA   ILE   9           HA       ILE   9   2.494   2.284  10.662
   64    HB   ILE   9           HB       ILE   9   4.921   1.008  11.939
   65   HG12  ILE   9          2HG1      ILE   9   2.335  -0.147  10.788
   66   HG13  ILE   9          3HG1      ILE   9   3.824   0.048   9.867
   67   HG21  ILE   9          1HG2      ILE   9   3.537   1.735  13.832
   68   HG22  ILE   9          2HG2      ILE   9   2.095   1.020  13.078
   69   HG23  ILE   9          3HG2      ILE   9   3.446  -0.003  13.648
   70   HD11  ILE   9          3HD1      ILE   9   5.008  -1.474  11.437
   71   HD12  ILE   9          1HD1      ILE   9   3.462  -1.766  12.271
   72   HD13  ILE   9          2HD1      ILE   9   3.650  -2.234  10.579
   73    HA   PRO  10           HA       PRO  10   2.909   6.291  12.757
   74    HB2  PRO  10           2HB      PRO  10   0.405   5.244  14.106
   75    HB3  PRO  10           3HB      PRO  10   0.731   6.881  13.458
   76    HG2  PRO  10           2HG      PRO  10  -0.771   5.128  12.039
   77    HG3  PRO  10           3HG      PRO  10   0.471   6.121  11.207
   78    HD2  PRO  10           2HD      PRO  10   0.660   3.236  12.094
   79    HD3  PRO  10           3HD      PRO  10   1.183   3.991  10.559
   80    H    ASP  11           H        ASP  11   3.904   6.827  14.699
   81    HA   ASP  11           HA       ASP  11   4.840   4.575  16.227
   82    HB2  ASP  11           2HB      ASP  11   6.068   6.734  15.371
   83    HB3  ASP  11           3HB      ASP  11   5.493   7.449  16.883
   84    H    VAL  12           H        VAL  12   2.527   7.142  16.810
   85    HA   VAL  12           HA       VAL  12   1.743   5.966  19.406
   86    HB   VAL  12           HB       VAL  12   2.159   8.921  18.807
   87   HG11  VAL  12          1HG1      VAL  12   1.578   9.319  21.177
   88   HG12  VAL  12          2HG1      VAL  12   0.235   8.582  20.303
   89   HG13  VAL  12          3HG1      VAL  12   1.224   7.590  21.392
   90   HG21  VAL  12          3HG2      VAL  12   3.703   7.064  20.643
   91   HG22  VAL  12          1HG2      VAL  12   4.317   7.921  19.215
   92   HG23  VAL  12          2HG2      VAL  12   3.842   8.837  20.639
   93    H    ASP  13           H        ASP  13  -0.518   5.766  19.457
   94    HA   ASP  13           HA       ASP  13  -2.171   7.613  17.913
   95    HB2  ASP  13           2HB      ASP  13  -1.671   5.658  16.351
   96    HB3  ASP  13           3HB      ASP  13  -2.608   4.647  17.442
   97    H    ILE  14           H        ILE  14  -3.219   8.373  19.673
   98    HA   ILE  14           HA       ILE  14  -4.490   6.594  21.606
   99    HB   ILE  14           HB       ILE  14  -3.414   7.660  23.512
  100   HG12  ILE  14          2HG1      ILE  14  -1.582   9.141  21.571
  101   HG13  ILE  14          3HG1      ILE  14  -2.933   9.886  22.413
  102   HG21  ILE  14          1HG2      ILE  14  -2.352   5.617  22.487
  103   HG22  ILE  14          2HG2      ILE  14  -1.164   6.679  21.720
  104   HG23  ILE  14          3HG2      ILE  14  -1.285   6.587  23.494
  105   HD11  ILE  14          3HD1      ILE  14  -0.867  10.398  23.561
  106   HD12  ILE  14          1HD1      ILE  14  -1.924   9.406  24.584
  107   HD13  ILE  14          2HD1      ILE  14  -0.514   8.675  23.782
  108    H    ASP  15           H        ASP  15  -5.503   8.156  23.377
  109    HA   ASP  15           HA       ASP  15  -6.137  10.842  22.435
  110    HB2  ASP  15           2HB      ASP  15  -8.068   9.432  21.641
  111    HB3  ASP  15           3HB      ASP  15  -8.353   8.941  23.306
  112    H    SER  16           H        SER  16  -6.775  12.106  24.296
  113    HA   SER  16           HA       SER  16  -6.078  11.011  26.969
  114    HG   SER  16           HG       SER  16  -3.912  11.725  24.776
  115    HB2  SER  16           2HB      SER  16  -4.789  13.523  25.831
  116    HB3  SER  16           3HB      SER  16  -4.436  12.734  27.370
  117    H    ASP  17           H        ASP  17  -8.296  12.697  25.095
  118    HA   ASP  17           HA       ASP  17  -8.863  15.053  26.503
  119    HB2  ASP  17           2HB      ASP  17  -9.788  14.458  24.316
  120    HB3  ASP  17           3HB      ASP  17 -10.730  13.159  25.040
  121    H    GLY  18           H        GLY  18  -9.316  11.831  27.585
  122    HA2  GLY  18           2HA      GLY  18 -10.244  12.700  30.162
  123    HA3  GLY  18           3HA      GLY  18 -11.367  11.590  29.336
  124    H    VAL  19           H        VAL  19 -10.501  10.289  31.377
  125    HA   VAL  19           HA       VAL  19  -7.913   9.065  31.160
  126    HB   VAL  19           HB       VAL  19 -10.385   7.914  32.526
  127   HG11  VAL  19          1HG1      VAL  19  -7.386   7.509  32.976
  128   HG12  VAL  19          2HG1      VAL  19  -8.691   6.800  33.971
  129   HG13  VAL  19          3HG1      VAL  19  -8.521   6.334  32.276
  130   HG21  VAL  19          3HG2      VAL  19 -10.087  10.149  33.450
  131   HG22  VAL  19          1HG2      VAL  19  -9.528   8.962  34.623
  132   HG23  VAL  19          2HG2      VAL  19  -8.348   9.883  33.657
  133    H    PHE  20           H        PHE  20  -7.262   7.604  29.664
  134    HA   PHE  20           HA       PHE  20  -9.242   5.661  28.602
  135    HD1  PHE  20           HD2      PHE  20 -10.827   5.998  26.704
  136    HD2  PHE  20           HD1      PHE  20  -8.176   9.388  26.449
  137    HE1  PHE  20           HE2      PHE  20 -12.731   7.440  26.058
  138    HE2  PHE  20           HE1      PHE  20 -10.075  10.816  25.725
  139    HZ   PHE  20           HZ       PHE  20 -12.356   9.863  25.567
  140    HB2  PHE  20           2HB      PHE  20  -7.263   7.260  26.929
  141    HB3  PHE  20           3HB      PHE  20  -8.157   5.862  26.361
  142    H    LYS  21           H        LYS  21  -8.351   3.637  28.249
  143    HA   LYS  21           HA       LYS  21  -5.866   2.991  29.641
  144    HB2  LYS  21           2HB      LYS  21  -7.642   1.290  27.828
  145    HB3  LYS  21           3HB      LYS  21  -6.319   0.695  28.840
  146    HG2  LYS  21           2HG      LYS  21  -7.545   1.456  30.884
  147    HG3  LYS  21           3HG      LYS  21  -8.896   1.987  29.858
  148    HD2  LYS  21           2HD      LYS  21  -9.085  -0.360  28.980
  149    HD3  LYS  21           3HD      LYS  21  -7.823  -0.848  30.123
  150    HE2  LYS  21           2HE      LYS  21  -9.751  -1.444  31.272
  151    HE3  LYS  21           3HE      LYS  21  -9.377   0.134  31.968
  152    HZ1  LYS  21           3HZ      LYS  21 -11.397  -0.438  29.852
  153    HZ2  LYS  21           1HZ      LYS  21 -11.721  -0.076  31.412
  154    HZ3  LYS  21           2HZ      LYS  21 -11.057   1.067  30.418
  155    H    TYR  22           H        TYR  22  -3.987   2.016  28.584
  156    HA   TYR  22           HA       TYR  22  -3.859   2.160  25.689
  157    HD1  TYR  22           HD1      TYR  22  -1.699   3.960  29.074
  158    HD2  TYR  22           HD2      TYR  22  -0.095   3.000  25.200
  159    HE1  TYR  22           HE1      TYR  22   0.562   3.830  30.058
  160    HE2  TYR  22           HE2      TYR  22   2.190   2.889  26.172
  161    HH   TYR  22           HH       TYR  22   3.491   3.377  28.007
  162    HB2  TYR  22           2HB      TYR  22  -2.342   3.801  25.424
  163    HB3  TYR  22           3HB      TYR  22  -2.978   4.413  26.918
  164    H    VAL  23           H        VAL  23  -1.822   1.137  24.920
  165    HA   VAL  23           HA       VAL  23  -0.567  -0.722  26.810
  166    HB   VAL  23           HB       VAL  23  -2.498  -1.885  25.971
  167   HG11  VAL  23          1HG1      VAL  23  -2.964  -0.744  23.897
  168   HG12  VAL  23          2HG1      VAL  23  -1.481  -1.381  23.169
  169   HG13  VAL  23          3HG1      VAL  23  -2.806  -2.482  23.611
  170   HG21  VAL  23          3HG2      VAL  23   0.068  -2.974  24.789
  171   HG22  VAL  23          1HG2      VAL  23  -0.597  -3.272  26.400
  172   HG23  VAL  23          2HG2      VAL  23  -1.445  -3.883  24.973
  173    H    LEU  24           H        LEU  24   1.513  -1.211  26.257
  174    HA   LEU  24           HA       LEU  24   2.775   0.424  24.112
  175    HG   LEU  24           HG       LEU  24   4.894   1.589  24.983
  176    HB2  LEU  24           2HB      LEU  24   3.398   0.687  26.621
  177    HB3  LEU  24           3HB      LEU  24   4.094  -0.927  26.511
  178   HD11  LEU  24          1HD1      LEU  24   6.418  -0.117  27.004
  179   HD12  LEU  24          2HD1      LEU  24   7.001   1.365  26.223
  180   HD13  LEU  24          3HD1      LEU  24   5.643   1.449  27.341
  181   HD21  LEU  24          3HD2      LEU  24   5.908  -1.251  24.600
  182   HD22  LEU  24          1HD2      LEU  24   5.351  -0.087  23.371
  183   HD23  LEU  24          2HD2      LEU  24   6.885   0.175  24.195
  184    H    ILE  25           H        ILE  25   3.292  -0.832  22.344
  185    HA   ILE  25           HA       ILE  25   3.417  -3.797  22.722
  186    HB   ILE  25           HB       ILE  25   2.055  -2.213  20.504
  187   HG12  ILE  25          2HG1      ILE  25   0.930  -3.918  22.767
  188   HG13  ILE  25          3HG1      ILE  25   0.713  -2.181  22.557
  189   HG21  ILE  25          1HG2      ILE  25   2.147  -5.224  20.941
  190   HG22  ILE  25          2HG2      ILE  25   1.391  -4.358  19.582
  191   HG23  ILE  25          3HG2      ILE  25   3.127  -4.356  19.737
  192   HD11  ILE  25          3HD1      ILE  25  -1.321  -3.375  21.948
  193   HD12  ILE  25          1HD1      ILE  25  -0.631  -2.576  20.522
  194   HD13  ILE  25          2HD1      ILE  25  -0.469  -4.332  20.754
  195    H    ARG  26           H        ARG  26   5.029  -4.827  21.640
  196    HA   ARG  26           HA       ARG  26   7.009  -3.132  20.192
  197    HE   ARG  26           HE       ARG  26  10.529  -3.974  21.503
  198    HB2  ARG  26           2HB      ARG  26   7.968  -4.525  21.941
  199    HB3  ARG  26           3HB      ARG  26   7.174  -5.974  21.295
  200    HG2  ARG  26           2HG      ARG  26   8.510  -5.898  19.275
  201    HG3  ARG  26           3HG      ARG  26   9.169  -4.309  19.681
  202    HD2  ARG  26           2HD      ARG  26   9.606  -6.781  21.401
  203    HD3  ARG  26           3HD      ARG  26  10.713  -6.275  20.108
  204   HH11  ARG  26          2HH2      ARG  26  11.267  -7.256  22.688
  205   HH12  ARG  26          1HH2      ARG  26  12.236  -6.679  23.998
  206   HH21  ARG  26          2HH1      ARG  26  11.701  -3.258  23.071
  207   HH22  ARG  26          1HH1      ARG  26  12.516  -4.270  24.257
  208    H    VAL  27           H        VAL  27   7.118  -3.364  18.015
  209    HA   VAL  27           HA       VAL  27   5.348  -5.376  16.725
  210    HB   VAL  27           HB       VAL  27   4.318  -3.255  16.464
  211   HG11  VAL  27          1HG1      VAL  27   6.985  -2.123  15.546
  212   HG12  VAL  27          2HG1      VAL  27   5.421  -1.288  15.399
  213   HG13  VAL  27          3HG1      VAL  27   6.075  -1.679  16.997
  214   HG21  VAL  27          3HG2      VAL  27   5.842  -3.785  13.881
  215   HG22  VAL  27          1HG2      VAL  27   4.450  -4.723  14.456
  216   HG23  VAL  27          2HG2      VAL  27   4.261  -2.999  14.065
  217    H    HIS  28           H        HIS  28   6.271  -6.510  15.087
  218    HA   HIS  28           HA       HIS  28   9.231  -6.316  14.756
  219    HD1  HIS  28           HD1      HIS  28  10.288  -7.881  17.103
  220    HD2  HIS  28           HD2      HIS  28   6.260  -9.073  16.971
  221    HE1  HIS  28           HE1      HIS  28   9.640  -8.556  19.495
  222    HB2  HIS  28           2HB      HIS  28   7.438  -8.781  14.655
  223    HB3  HIS  28           3HB      HIS  28   9.194  -8.737  14.646
  224    H    SER  29           H        SER  29   9.927  -6.383  12.616
  225    HA   SER  29           HA       SER  29   8.073  -5.982  10.464
  226    HG   SER  29           HG       SER  29  10.957  -5.085  11.541
  227    HB2  SER  29           2HB      SER  29  10.962  -6.920  10.251
  228    HB3  SER  29           3HB      SER  29  10.011  -6.060   9.033
  229    H    ALA  30           H        ALA  30   7.166  -7.440   9.060
  230    HA   ALA  30           HA       ALA  30   8.362 -10.057   8.659
  231    HB1  ALA  30           3HB      ALA  30   5.478  -9.824   9.616
  232    HB2  ALA  30           1HB      ALA  30   6.276 -11.299   9.016
  233    HB3  ALA  30           2HB      ALA  30   6.838 -10.542  10.522
  234    HA   PRO  31           HA       PRO  31   6.321  -7.303   5.421
  235    HB2  PRO  31           2HB      PRO  31   8.844  -7.304   3.900
  236    HB3  PRO  31           3HB      PRO  31   7.936  -5.926   4.565
  237    HG2  PRO  31           2HG      PRO  31  10.364  -6.732   5.614
  238    HG3  PRO  31           3HG      PRO  31   9.070  -5.964   6.581
  239    HD2  PRO  31           2HD      PRO  31   9.681  -8.930   6.333
  240    HD3  PRO  31           3HD      PRO  31   9.373  -7.962   7.773
  241    H    ARG  32           H        ARG  32   5.205  -8.230   3.801
  242    HA   ARG  32           HA       ARG  32   4.186  -9.970   2.889
  243    HE   ARG  32           HE       ARG  32   9.551 -10.356   0.343
  244    HB2  ARG  32           2HB      ARG  32   5.136 -10.767   0.794
  245    HB3  ARG  32           3HB      ARG  32   5.206  -9.037   1.022
  246    HG2  ARG  32           2HG      ARG  32   7.180  -9.635  -0.072
  247    HG3  ARG  32           3HG      ARG  32   7.658  -9.219   1.570
  248    HD2  ARG  32           2HD      ARG  32   7.868 -11.612   2.127
  249    HD3  ARG  32           3HD      ARG  32   7.224 -12.053   0.535
  250   HH11  ARG  32          1HH1      ARG  32   8.524 -13.714   0.785
  251   HH12  ARG  32          2HH1      ARG  32  10.027 -14.401   0.263
  252   HH21  ARG  32          1HH2      ARG  32  11.536 -11.252  -0.427
  253   HH22  ARG  32          2HH2      ARG  32  11.775 -12.964  -0.436
  254    H    SER  33           H        SER  33   5.392 -10.735   5.368
  255    HA   SER  33           HA       SER  33   6.068 -12.438   6.608
  256    HG   SER  33           HG       SER  33   2.727 -13.419   6.490
  257    HB2  SER  33           2HB      SER  33   4.209 -14.009   4.795
  258    HB3  SER  33           3HB      SER  33   4.721 -14.466   6.430
  259    H    GLY  34           H        GLY  34   8.035 -11.886   4.604
  260    HA2  GLY  34           2HA      GLY  34   9.609 -14.242   4.951
  261    HA3  GLY  34           3HA      GLY  34   8.978 -14.227   3.307
  262    H    ALA  35           H        ALA  35   9.475 -10.940   4.072
  263    HA   ALA  35           HA       ALA  35  11.802 -10.753   2.433
  264    HB1  ALA  35           3HB      ALA  35  11.842  -8.399   3.155
  265    HB2  ALA  35           1HB      ALA  35  10.171  -8.894   2.804
  266    HB3  ALA  35           2HB      ALA  35  10.750  -8.780   4.483
  267    HA   PRO  36           HA       PRO  36  14.923 -11.621   5.504
  268    HB2  PRO  36           2HB      PRO  36  17.178 -10.587   4.387
  269    HB3  PRO  36           3HB      PRO  36  16.252 -11.898   3.609
  270    HG2  PRO  36           2HG      PRO  36  16.042  -8.919   3.041
  271    HG3  PRO  36           3HG      PRO  36  16.313 -10.249   1.865
  272    HD2  PRO  36           2HD      PRO  36  13.826  -9.247   2.373
  273    HD3  PRO  36           3HD      PRO  36  14.086 -10.986   2.037
  274    H    ALA  37           H        ALA  37  13.278  -9.741   6.564
  275    HA   ALA  37           HA       ALA  37  15.088  -7.916   7.999
  276    HB1  ALA  37           3HB      ALA  37  14.229  -6.524   6.157
  277    HB2  ALA  37           1HB      ALA  37  12.559  -7.007   6.545
  278    HB3  ALA  37           2HB      ALA  37  13.498  -6.028   7.696
  279    H    ALA  38           H        ALA  38  14.637  -8.128  10.093
  280    HA   ALA  38           HA       ALA  38  11.926  -8.811  11.059
  281    HB1  ALA  38           3HB      ALA  38  14.454 -10.377  11.762
  282    HB2  ALA  38           1HB      ALA  38  12.831 -10.634  12.436
  283    HB3  ALA  38           2HB      ALA  38  13.129 -10.956  10.721
  284    H    GLU  39           H        GLU  39  13.599  -6.361  11.037
  285    HA   GLU  39           HA       GLU  39  14.617  -5.869  13.708
  286    HB2  GLU  39           2HB      GLU  39  13.737  -4.015  11.446
  287    HB3  GLU  39           3HB      GLU  39  14.472  -3.478  12.966
  288    HG2  GLU  39           2HG      GLU  39  16.493  -4.850  12.459
  289    HG3  GLU  39           3HG      GLU  39  15.791  -5.299  10.907
  290    H    SER  40           H        SER  40  13.496  -4.235  15.174
  291    HA   SER  40           HA       SER  40  10.544  -4.388  15.054
  292    HG   SER  40           HG       SER  40  12.386  -6.753  15.939
  293    HB2  SER  40           2HB      SER  40  12.161  -5.108  17.525
  294    HB3  SER  40           3HB      SER  40  10.411  -5.222  17.321
  295    H    LYS  41           H        LYS  41   9.537  -2.892  16.653
  296    HA   LYS  41           HA       LYS  41  11.265  -0.972  17.986
  297    HB2  LYS  41           2HB      LYS  41  10.353   1.035  17.118
  298    HB3  LYS  41           3HB      LYS  41  10.947   0.117  15.746
  299    HG2  LYS  41           2HG      LYS  41   8.671  -0.461  15.069
  300    HG3  LYS  41           3HG      LYS  41   8.000   0.214  16.564
  301    HD2  LYS  41           2HD      LYS  41   8.810   2.455  15.954
  302    HD3  LYS  41           3HD      LYS  41   9.454   1.822  14.426
  303    HE2  LYS  41           2HE      LYS  41   7.213   1.281  13.635
  304    HE3  LYS  41           3HE      LYS  41   6.523   1.621  15.232
  305    HZ1  LYS  41           3HZ      LYS  41   7.758   3.623  13.468
  306    HZ2  LYS  41           1HZ      LYS  41   6.175   3.459  13.689
  307    HZ3  LYS  41           2HZ      LYS  41   7.151   3.935  14.965
  308    H    GLU  42           H        GLU  42   9.781   0.577  19.320
  309    HA   GLU  42           HA       GLU  42   7.480  -0.969  20.421
  310    HB2  GLU  42           2HB      GLU  42   9.166   1.354  21.468
  311    HB3  GLU  42           3HB      GLU  42   7.638   0.872  22.181
  312    HG2  GLU  42           2HG      GLU  42   9.306  -0.159  23.494
  313    HG3  GLU  42           3HG      GLU  42   8.547  -1.430  22.546
  314    H    ILE  43           H        ILE  43   5.432   0.017  20.487
  315    HA   ILE  43           HA       ILE  43   5.093   2.735  19.387
  316    HB   ILE  43           HB       ILE  43   3.038   1.930  18.197
  317   HG12  ILE  43          2HG1      ILE  43   4.232  -0.863  18.453
  318   HG13  ILE  43          3HG1      ILE  43   2.833  -0.287  19.358
  319   HG21  ILE  43          1HG2      ILE  43   5.207   2.481  17.085
  320   HG22  ILE  43          2HG2      ILE  43   5.613   0.754  17.099
  321   HG23  ILE  43          3HG2      ILE  43   4.207   1.339  16.177
  322   HD11  ILE  43          3HD1      ILE  43   2.990  -0.624  16.336
  323   HD12  ILE  43          1HD1      ILE  43   2.095  -1.622  17.490
  324   HD13  ILE  43          2HD1      ILE  43   1.606   0.061  17.224
  325    H    VAL  44           H        VAL  44   3.172   3.759  20.105
  326    HA   VAL  44           HA       VAL  44   2.111   2.640  22.685
  327    HB   VAL  44           HB       VAL  44   2.219   5.526  21.713
  328   HG11  VAL  44          1HG1      VAL  44   1.853   4.492  24.545
  329   HG12  VAL  44          2HG1      VAL  44   1.724   6.162  23.985
  330   HG13  VAL  44          3HG1      VAL  44   0.505   4.978  23.503
  331   HG21  VAL  44          3HG2      VAL  44   4.139   4.116  23.616
  332   HG22  VAL  44          1HG2      VAL  44   4.536   4.805  22.026
  333   HG23  VAL  44          2HG2      VAL  44   4.059   5.878  23.341
  334    H    ARG  45           H        ARG  45  -0.063   2.081  22.650
  335    HA   ARG  45           HA       ARG  45  -1.819   3.174  20.474
  336    HE   ARG  45           HE       ARG  45  -0.497   3.021  18.926
  337    HB2  ARG  45           2HB      ARG  45  -1.688   0.322  21.555
  338    HB3  ARG  45           3HB      ARG  45  -2.828   0.914  20.354
  339    HG2  ARG  45           2HG      ARG  45   0.186   0.717  19.885
  340    HG3  ARG  45           3HG      ARG  45  -0.964  -0.542  19.522
  341    HD2  ARG  45           2HD      ARG  45  -0.779   0.452  17.471
  342    HD3  ARG  45           3HD      ARG  45  -2.226   1.261  18.093
  343   HH11  ARG  45          1HH2      ARG  45  -0.330   1.504  15.673
  344   HH12  ARG  45          2HH2      ARG  45   1.015   2.515  15.217
  345   HH21  ARG  45          1HH1      ARG  45   1.235   4.191  18.275
  346   HH22  ARG  45          2HH1      ARG  45   1.866   4.052  16.641
  347    H    GLY  46           H        GLY  46  -3.795   3.879  21.278
  348    HA2  GLY  46           2HA      GLY  46  -4.763   3.047  23.941
  349    HA3  GLY  46           3HA      GLY  46  -4.071   4.667  23.821
  350    H    TYR  47           H        TYR  47  -6.084   2.731  21.560
  351    HA   TYR  47           HA       TYR  47  -7.572   4.989  20.691
  352    HD1  TYR  47           HD2      TYR  47  -7.535   4.639  17.871
  353    HD2  TYR  47           HD1      TYR  47  -6.230   1.010  19.800
  354    HE1  TYR  47           HE2      TYR  47  -5.873   4.295  16.078
  355    HE2  TYR  47           HE1      TYR  47  -4.542   0.672  18.020
  356    HH   TYR  47           HH       TYR  47  -3.687   1.457  15.974
  357    HB2  TYR  47           2HB      TYR  47  -8.281   2.035  20.471
  358    HB3  TYR  47           3HB      TYR  47  -8.972   3.359  19.551
  359    H    LYS  48           H        LYS  48  -9.477   5.830  21.371
  360    HA   LYS  48           HA       LYS  48 -10.437   5.243  23.961
  361    HB2  LYS  48           2HB      LYS  48 -12.094   6.946  23.547
  362    HB3  LYS  48           3HB      LYS  48 -10.524   7.455  22.927
  363    HG2  LYS  48           2HG      LYS  48 -11.400   6.600  20.607
  364    HG3  LYS  48           3HG      LYS  48 -12.996   6.588  21.368
  365    HD2  LYS  48           2HD      LYS  48 -11.110   8.965  21.093
  366    HD3  LYS  48           3HD      LYS  48 -12.562   8.683  20.122
  367    HE2  LYS  48           2HE      LYS  48 -14.023   9.052  21.995
  368    HE3  LYS  48           3HE      LYS  48 -12.678   8.965  23.151
  369    HZ1  LYS  48           3HZ      LYS  48 -13.317  11.248  22.763
  370    HZ2  LYS  48           1HZ      LYS  48 -11.773  10.970  22.289
  371    HZ3  LYS  48           2HZ      LYS  48 -12.965  11.116  21.156
  372    H    TRP  49           H        TRP  49 -11.471   3.860  20.868
  373    HA   TRP  49           HA       TRP  49 -14.096   3.140  21.774
  374    HD1  TRP  49           HD1      TRP  49 -12.027   3.958  17.880
  375    HE1  TRP  49           HE1      TRP  49  -9.931   2.901  16.877
  376    HE3  TRP  49           HE3      TRP  49 -12.073  -0.556  20.361
  377    HZ2  TRP  49           HZ2      TRP  49  -8.296   0.587  17.332
  378    HZ3  TRP  49           HZ3      TRP  49 -10.157  -2.083  20.162
  379    HH2  TRP  49           HH2      TRP  49  -8.224  -1.502  18.703
  380    HB2  TRP  49           2HB      TRP  49 -14.054   1.592  19.780
  381    HB3  TRP  49           3HB      TRP  49 -13.859   3.301  19.468
  382    H    ALA  50           H        ALA  50 -10.950   1.685  22.377
  383    HA   ALA  50           HA       ALA  50 -11.891  -1.002  22.657
  384    HB1  ALA  50           3HB      ALA  50  -9.426   0.382  23.806
  385    HB2  ALA  50           1HB      ALA  50  -9.719  -1.362  23.756
  386    HB3  ALA  50           2HB      ALA  50  -9.536  -0.467  22.240
  387    H    GLU  51           H        GLU  51 -12.863  -1.995  24.284
  388    HA   GLU  51           HA       GLU  51 -13.589  -0.668  26.744
  389    HB2  GLU  51           2HB      GLU  51 -14.420  -2.910  27.410
  390    HB3  GLU  51           3HB      GLU  51 -15.051  -2.333  25.868
  391    HG2  GLU  51           2HG      GLU  51 -13.476  -3.822  24.653
  392    HG3  GLU  51           3HG      GLU  51 -12.829  -4.397  26.180
  393    H    TYR  52           H        TYR  52 -10.955  -2.797  25.753
  394    HA   TYR  52           HA       TYR  52  -9.493  -2.308  28.254
  395    HD1  TYR  52           HD2      TYR  52  -9.009  -3.833  30.537
  396    HD2  TYR  52           HD1      TYR  52 -12.540  -5.079  28.378
  397    HE1  TYR  52           HE2      TYR  52 -10.307  -3.853  32.657
  398    HE2  TYR  52           HE1      TYR  52 -13.823  -5.094  30.471
  399    HH   TYR  52           HH       TYR  52 -13.762  -4.733  32.783
  400    HB2  TYR  52           2HB      TYR  52 -10.358  -5.044  27.267
  401    HB3  TYR  52           3HB      TYR  52  -8.904  -4.833  28.226
  402    H    HIS  53           H        HIS  53  -7.236  -2.841  28.024
  403    HA   HIS  53           HA       HIS  53  -6.019  -2.217  25.525
  404    HD2  HIS  53           HD2      HIS  53  -4.812  -1.345  29.756
  405    HE1  HIS  53           HE1      HIS  53  -6.329  -5.156  30.958
  406    HE2  HIS  53           HE2      HIS  53  -5.767  -2.792  31.742
  407    HB2  HIS  53           2HB      HIS  53  -3.986  -3.307  26.853
  408    HB3  HIS  53           3HB      HIS  53  -4.626  -1.718  27.247
  409    H    ALA  54           H        ALA  54  -7.111  -5.319  26.855
  410    HA   ALA  54           HA       ALA  54  -5.804  -7.058  25.049
  411    HB1  ALA  54           3HB      ALA  54  -7.133  -7.825  26.975
  412    HB2  ALA  54           1HB      ALA  54  -8.623  -7.228  26.200
  413    HB3  ALA  54           2HB      ALA  54  -7.704  -8.558  25.466
  414    H    ASP  55           H        ASP  55  -8.714  -4.986  24.577
  415    HA   ASP  55           HA       ASP  55  -9.418  -6.156  22.032
  416    HB2  ASP  55           2HB      ASP  55 -10.945  -4.865  23.666
  417    HB3  ASP  55           3HB      ASP  55 -10.155  -3.406  23.087
  418    H    ILE  56           H        ILE  56  -7.406  -3.459  23.143
  419    HA   ILE  56           HA       ILE  56  -6.868  -2.320  20.555
  420    HB   ILE  56           HB       ILE  56  -5.141  -2.273  23.073
  421   HG12  ILE  56          2HG1      ILE  56  -7.170  -0.253  22.043
  422   HG13  ILE  56          3HG1      ILE  56  -7.354  -1.305  23.455
  423   HG21  ILE  56          1HG2      ILE  56  -5.004  -0.694  20.474
  424   HG22  ILE  56          2HG2      ILE  56  -4.116  -0.247  21.947
  425   HG23  ILE  56          3HG2      ILE  56  -3.769  -1.771  21.150
  426   HD11  ILE  56          3HD1      ILE  56  -5.391  -0.166  24.525
  427   HD12  ILE  56          1HD1      ILE  56  -5.416   1.004  23.184
  428   HD13  ILE  56          2HD1      ILE  56  -6.808   0.867  24.258
  429    H    TYR  57           H        TYR  57  -5.014  -4.674  22.609
  430    HA   TYR  57           HA       TYR  57  -2.933  -5.120  20.788
  431    HD1  TYR  57           HD2      TYR  57  -1.038  -6.535  20.811
  432    HD2  TYR  57           HD1      TYR  57  -3.549  -9.114  23.196
  433    HE1  TYR  57           HE2      TYR  57   0.455  -8.440  20.320
  434    HE2  TYR  57           HE1      TYR  57  -2.053 -11.016  22.706
  435    HH   TYR  57           HH       TYR  57  -0.089 -11.726  21.615
  436    HB2  TYR  57           2HB      TYR  57  -2.814  -5.864  23.078
  437    HB3  TYR  57           3HB      TYR  57  -4.215  -6.909  22.867
  438    H    ASP  58           H        ASP  58  -6.090  -6.815  21.032
  439    HA   ASP  58           HA       ASP  58  -5.692  -8.715  18.979
  440    HB2  ASP  58           2HB      ASP  58  -7.592  -8.909  20.411
  441    HB3  ASP  58           3HB      ASP  58  -8.150  -7.283  20.028
  442    H    LYS  59           H        LYS  59  -6.952  -5.344  18.760
  443    HA   LYS  59           HA       LYS  59  -7.505  -5.609  15.930
  444    HB2  LYS  59           2HB      LYS  59  -8.133  -3.713  17.955
  445    HB3  LYS  59           3HB      LYS  59  -7.081  -2.835  16.875
  446    HG2  LYS  59           2HG      LYS  59  -9.346  -2.477  16.184
  447    HG3  LYS  59           3HG      LYS  59  -8.525  -3.431  14.957
  448    HD2  LYS  59           2HD      LYS  59 -10.768  -4.223  15.236
  449    HD3  LYS  59           3HD      LYS  59  -9.688  -5.494  15.779
  450    HE2  LYS  59           2HE      LYS  59 -11.013  -3.526  17.709
  451    HE3  LYS  59           3HE      LYS  59 -11.826  -4.984  17.134
  452    HZ1  LYS  59           3HZ      LYS  59 -10.818  -5.453  19.211
  453    HZ2  LYS  59           1HZ      LYS  59  -9.994  -6.314  18.084
  454    HZ3  LYS  59           2HZ      LYS  59  -9.372  -4.943  18.765
  455    H    VAL  60           H        VAL  60  -4.835  -4.192  17.804
  456    HA   VAL  60           HA       VAL  60  -3.430  -3.100  15.579
  457    HB   VAL  60           HB       VAL  60  -2.599  -3.897  18.402
  458   HG11  VAL  60          1HG1      VAL  60  -1.038  -2.151  16.450
  459   HG12  VAL  60          2HG1      VAL  60  -0.616  -2.472  18.147
  460   HG13  VAL  60          3HG1      VAL  60  -0.564  -3.776  16.971
  461   HG21  VAL  60          3HG2      VAL  60  -3.103  -1.141  17.171
  462   HG22  VAL  60          1HG2      VAL  60  -4.321  -2.023  18.098
  463   HG23  VAL  60          2HG2      VAL  60  -2.837  -1.538  18.892
  464    H    SER  61           H        SER  61  -3.116  -6.326  17.276
  465    HA   SER  61           HA       SER  61  -0.978  -7.238  15.654
  466    HG   SER  61           HG       SER  61  -2.307  -7.779  18.503
  467    HB2  SER  61           2HB      SER  61  -3.242  -8.878  16.867
  468    HB3  SER  61           3HB      SER  61  -1.652  -9.477  16.337
  469    H    GLY  62           H        GLY  62  -4.532  -7.323  15.083
  470    HA2  GLY  62           2HA      GLY  62  -4.493  -8.792  12.652
  471    HA3  GLY  62           3HA      GLY  62  -5.712  -7.596  13.153
  472    H    ASP  63           H        ASP  63  -4.320  -5.210  13.252
  473    HA   ASP  63           HA       ASP  63  -4.216  -4.487  10.494
  474    HB2  ASP  63           2HB      ASP  63  -4.756  -2.834  12.199
  475    HB3  ASP  63           3HB      ASP  63  -3.158  -3.016  12.927
  476    H    MET  64           H        MET  64  -1.539  -5.002  12.878
  477    HA   MET  64           HA       MET  64   0.518  -4.334  11.052
  478    HB2  MET  64           2HB      MET  64   0.416  -5.950  13.612
  479    HB3  MET  64           3HB      MET  64   1.853  -6.036  12.595
  480    HG2  MET  64           2HG      MET  64   2.279  -4.302  14.119
  481    HG3  MET  64           3HG      MET  64   1.981  -3.538  12.566
  482    HE1  MET  64           3HE      MET  64   0.339  -1.664  12.222
  483    HE2  MET  64           1HE      MET  64  -0.290  -0.793  13.634
  484    HE3  MET  64           2HE      MET  64   1.458  -1.109  13.495
  485    H    GLN  65           H        GLN  65  -1.119  -7.491  11.625
  486    HA   GLN  65           HA       GLN  65   0.602  -8.941   9.832
  487    HB2  GLN  65           2HB      GLN  65  -2.183  -9.417  10.950
  488    HB3  GLN  65           3HB      GLN  65  -1.365 -10.579   9.891
  489    HG2  GLN  65           2HG      GLN  65   0.463 -10.872  11.442
  490    HG3  GLN  65           3HG      GLN  65  -0.049  -9.521  12.432
  491   HE21  GLN  65          2HE2      GLN  65   0.119 -11.143  14.262
  492   HE22  GLN  65          1HE2      GLN  65  -1.272 -12.165  14.517
  493    H    LYS  66           H        LYS  66  -2.366  -6.987   9.297
  494    HA   LYS  66           HA       LYS  66  -2.581  -7.676   6.494
  495    HB2  LYS  66           2HB      LYS  66  -3.497  -5.180   7.994
  496    HB3  LYS  66           3HB      LYS  66  -3.817  -5.496   6.293
  497    HG2  LYS  66           2HG      LYS  66  -5.066  -7.524   6.831
  498    HG3  LYS  66           3HG      LYS  66  -4.697  -7.339   8.551
  499    HD2  LYS  66           2HD      LYS  66  -5.902  -5.166   8.586
  500    HD3  LYS  66           3HD      LYS  66  -6.297  -5.370   6.862
  501    HE2  LYS  66           2HE      LYS  66  -7.474  -7.499   7.400
  502    HE3  LYS  66           3HE      LYS  66  -7.084  -7.279   9.111
  503    HZ1  LYS  66           3HZ      LYS  66  -8.784  -5.465   7.492
  504    HZ2  LYS  66           1HZ      LYS  66  -9.312  -6.543   8.612
  505    HZ3  LYS  66           2HZ      LYS  66  -8.417  -5.253   9.088
  506    H    GLN  67           H        GLN  67  -0.665  -5.211   8.280
  507    HA   GLN  67           HA       GLN  67   0.241  -3.877   5.892
  508    HB2  GLN  67           2HB      GLN  67   1.623  -3.983   8.627
  509    HB3  GLN  67           3HB      GLN  67   1.994  -2.892   7.306
  510    HG2  GLN  67           2HG      GLN  67  -0.467  -2.900   9.062
  511    HG3  GLN  67           3HG      GLN  67   0.762  -1.671   8.940
  512   HE21  GLN  67          2HE2      GLN  67  -2.354  -1.791   8.429
  513   HE22  GLN  67          1HE2      GLN  67  -2.475  -1.005   6.866
  514    H    GLY  68           H        GLY  68   1.903  -6.129   8.093
  515    HA2  GLY  68           2HA      GLY  68   3.181  -8.009   6.769
  516    HA3  GLY  68           3HA      GLY  68   4.030  -6.605   6.078
  517    H    CYS  69           H        CYS  69   2.800  -7.265   9.432
  518    HA   CYS  69           HA       CYS  69   5.465  -7.365  10.608
  519    HG   CYS  69           HG       CYS  69   5.424  -5.062   9.079
  520    HB2  CYS  69           2HB      CYS  69   3.429  -5.128  11.063
  521    HB3  CYS  69           3HB      CYS  69   4.689  -5.540  12.244
  522    H    ASP  70           H        ASP  70   4.983  -7.620  13.144
  523    HA   ASP  70           HA       ASP  70   2.316  -8.685  13.763
  524    HB2  ASP  70           2HB      ASP  70   3.614 -10.669  12.939
  525    HB3  ASP  70           3HB      ASP  70   4.806 -10.380  14.210
  526    H    CYS  71           H        CYS  71   2.274  -9.141  16.298
  527    HA   CYS  71           HA       CYS  71   3.947  -7.056  17.638
  528    HG   CYS  71           HG       CYS  71   2.158  -6.039  15.530
  529    HB2  CYS  71           2HB      CYS  71   0.917  -7.335  17.491
  530    HB3  CYS  71           3HB      CYS  71   1.721  -6.426  18.767
  531    H    GLU  72           H        GLU  72   4.009  -7.107  19.907
  532    HA   GLU  72           HA       GLU  72   2.610  -9.178  21.435
  533    HB2  GLU  72           2HB      GLU  72   4.684 -10.332  20.829
  534    HB3  GLU  72           3HB      GLU  72   5.647  -8.911  21.239
  535    HG2  GLU  72           2HG      GLU  72   5.852 -10.558  22.987
  536    HG3  GLU  72           3HG      GLU  72   5.037  -9.139  23.604
  537    H    CYS  73           H        CYS  73   2.285  -8.354  23.579
  538    HA   CYS  73           HA       CYS  73   2.603  -5.427  23.848
  539    HG   CYS  73           HG       CYS  73  -0.974  -6.601  25.114
  540    HB2  CYS  73           2HB      CYS  73   1.385  -7.532  25.683
  541    HB3  CYS  73           3HB      CYS  73   1.369  -5.778  25.982
  542    H    LEU  74           H        LEU  74   3.982  -4.394  25.251
  543    HA   LEU  74           HA       LEU  74   5.913  -6.067  26.811
  544    HG   LEU  74           HG       LEU  74   6.552  -4.188  24.131
  545    HB2  LEU  74           2HB      LEU  74   5.986  -3.083  26.212
  546    HB3  LEU  74           3HB      LEU  74   7.193  -4.009  27.101
  547   HD11  LEU  74          1HD1      LEU  74   8.873  -3.457  23.869
  548   HD12  LEU  74          2HD1      LEU  74   8.019  -2.318  24.902
  549   HD13  LEU  74          3HD1      LEU  74   9.130  -3.507  25.624
  550   HD21  LEU  74          3HD2      LEU  74   7.001  -6.486  24.829
  551   HD22  LEU  74          1HD2      LEU  74   8.415  -5.863  23.991
  552   HD23  LEU  74          2HD2      LEU  74   8.421  -5.968  25.769
  553    H    GLY  75           H        GLY  75   3.139  -3.922  27.093
  554    HA2  GLY  75           2HA      GLY  75   2.333  -4.669  29.593
  555    HA3  GLY  75           3HA      GLY  75   3.453  -3.347  29.911
  556    H    GLY  76           H        GLY  76   1.167  -2.472  30.727
  557    HA2  GLY  76           2HA      GLY  76   0.410  -0.489  28.721
  558    HA3  GLY  76           3HA      GLY  76  -0.911  -1.569  29.154
  559    H    GLY  77           H        GLY  77  -1.700   0.702  29.794
  560    HA2  GLY  77           2HA      GLY  77  -1.720   1.150  32.606
  561    HA3  GLY  77           3HA      GLY  77  -0.585   2.257  31.812
  562    H    ARG  78           H        ARG  78  -1.958   4.092  32.225
  563    HA   ARG  78           HA       ARG  78  -4.222   4.383  30.322
  564    HE   ARG  78           HE       ARG  78  -6.039   5.587  34.959
  565    HB2  ARG  78           2HB      ARG  78  -4.227   5.299  33.233
  566    HB3  ARG  78           3HB      ARG  78  -5.486   5.635  32.041
  567    HG2  ARG  78           2HG      ARG  78  -5.952   3.171  31.886
  568    HG3  ARG  78           3HG      ARG  78  -4.787   2.899  33.194
  569    HD2  ARG  78           2HD      ARG  78  -7.352   4.535  33.340
  570    HD3  ARG  78           3HD      ARG  78  -7.075   2.962  34.082
  571   HH11  ARG  78          1HH2      ARG  78  -6.088   2.052  35.654
  572   HH12  ARG  78          2HH2      ARG  78  -5.263   2.310  37.181
  573   HH21  ARG  78          1HH1      ARG  78  -4.824   5.706  36.953
  574   HH22  ARG  78          2HH1      ARG  78  -4.634   4.214  37.866
  575    H    ILE  79           H        ILE  79  -4.661   6.684  29.875
  576    HA   ILE  79           HA       ILE  79  -2.369   8.508  30.418
  577    HB   ILE  79           HB       ILE  79  -3.738   8.079  27.721
  578   HG12  ILE  79          2HG1      ILE  79  -0.930   7.293  28.619
  579   HG13  ILE  79          3HG1      ILE  79  -2.248   6.189  28.253
  580   HG21  ILE  79          1HG2      ILE  79  -1.390   9.876  28.500
  581   HG22  ILE  79          2HG2      ILE  79  -2.033   9.665  26.856
  582   HG23  ILE  79          3HG2      ILE  79  -3.023  10.420  28.060
  583   HD11  ILE  79          3HD1      ILE  79  -0.796   7.940  26.254
  584   HD12  ILE  79          1HD1      ILE  79  -0.727   6.190  26.407
  585   HD13  ILE  79          2HD1      ILE  79  -2.241   6.962  25.889
  586    H    SER  80           H        SER  80  -3.048  10.732  30.552
  587    HA   SER  80           HA       SER  80  -5.783  11.481  29.877
  588    HG   SER  80           HG       SER  80  -6.032   9.779  31.554
  589    HB2  SER  80           2HB      SER  80  -4.803  11.858  32.747
  590    HB3  SER  80           3HB      SER  80  -6.379  12.325  32.079
  591    H    HIS  81           H        HIS  81  -5.898  13.713  29.458
  592    HA   HIS  81           HA       HIS  81  -3.438  15.314  29.455
  593    HD1  HIS  81           HD1      HIS  81  -3.004  17.817  28.829
  594    HD2  HIS  81           HD2      HIS  81  -7.005  17.993  27.484
  595    HE1  HIS  81           HE1      HIS  81  -3.425  20.177  28.076
  596    HB2  HIS  81           2HB      HIS  81  -5.063  15.403  27.602
  597    HB3  HIS  81           3HB      HIS  81  -6.354  15.803  28.729
  598    H    GLN  82           H        GLN  82  -3.040  17.025  30.981
  599    HA   GLN  82           HA       GLN  82  -4.413  16.761  33.511
  600    HB2  GLN  82           2HB      GLN  82  -2.022  17.356  33.286
  601    HB3  GLN  82           3HB      GLN  82  -2.466  18.922  32.590
  602    HG2  GLN  82           2HG      GLN  82  -3.396  19.682  34.654
  603    HG3  GLN  82           3HG      GLN  82  -3.551  18.045  35.295
  604   HE21  GLN  82          2HE2      GLN  82  -1.709  16.984  36.236
  605   HE22  GLN  82          1HE2      GLN  82  -0.285  17.931  36.644
  606    H    SER  83           H        SER  83  -5.856  18.259  34.508
  607    HA   SER  83           HA       SER  83  -7.863  19.116  32.728
  608    HG   SER  83           HG       SER  83  -7.749  18.964  36.775
  609    HB2  SER  83           2HB      SER  83  -8.811  19.982  35.012
  610    HB3  SER  83           3HB      SER  83  -8.571  18.249  34.758
  611    H    GLN  84           H        GLN  84  -5.158  20.916  34.037
  612    HA   GLN  84           HA       GLN  84  -6.304  23.445  33.025
  613    HB2  GLN  84           2HB      GLN  84  -6.766  22.890  35.560
  614    HB3  GLN  84           3HB      GLN  84  -5.061  23.251  35.794
  615    HG2  GLN  84           2HG      GLN  84  -6.404  25.194  36.320
  616    HG3  GLN  84           3HG      GLN  84  -5.480  25.560  34.873
  617   HE21  GLN  84          2HE2      GLN  84  -8.738  24.585  36.050
  618   HE22  GLN  84          1HE2      GLN  84  -9.590  25.227  34.653
  619    H    ASP  85           H        ASP  85  -4.057  21.587  32.114
  620    HA   ASP  85           HA       ASP  85  -2.066  23.675  31.734
  621    HB2  ASP  85           2HB      ASP  85  -1.333  22.538  33.873
  622    HB3  ASP  85           3HB      ASP  85  -1.222  21.028  32.964
  623    H    LYS  86           H        LYS  86  -0.688  23.094  29.908
  624    HA   LYS  86           HA       LYS  86  -2.004  21.680  27.820
  625    HB2  LYS  86           2HB      LYS  86   0.917  22.479  28.095
  626    HB3  LYS  86           3HB      LYS  86   0.129  21.942  26.606
  627    HG2  LYS  86           2HG      LYS  86  -1.443  23.854  26.734
  628    HG3  LYS  86           3HG      LYS  86  -0.579  24.490  28.135
  629    HD2  LYS  86           2HD      LYS  86   0.845  23.952  25.489
  630    HD3  LYS  86           3HD      LYS  86  -0.082  25.416  25.759
  631    HE2  LYS  86           2HE      LYS  86   2.205  25.920  26.153
  632    HE3  LYS  86           3HE      LYS  86   1.328  26.035  27.683
  633    HZ1  LYS  86           3HZ      LYS  86   3.534  24.876  27.781
  634    HZ2  LYS  86           1HZ      LYS  86   2.312  23.976  28.385
  635    HZ3  LYS  86           2HZ      LYS  86   2.927  23.639  26.904
  636    H    LYS  87           H        LYS  87   0.286  20.546  30.291
  637    HA   LYS  87           HA       LYS  87   1.452  18.513  28.804
  638    HB2  LYS  87           2HB      LYS  87   2.418  17.764  30.820
  639    HB3  LYS  87           3HB      LYS  87   2.268  19.498  30.905
  640    HG2  LYS  87           2HG      LYS  87   1.547  19.091  32.995
  641    HG3  LYS  87           3HG      LYS  87  -0.010  18.916  32.208
  642    HD2  LYS  87           2HD      LYS  87   0.350  17.123  33.825
  643    HD3  LYS  87           3HD      LYS  87   0.271  16.448  32.206
  644    HE2  LYS  87           2HE      LYS  87   2.031  15.351  33.438
  645    HE3  LYS  87           3HE      LYS  87   2.753  16.295  32.146
  646    HZ1  LYS  87           3HZ      LYS  87   2.592  17.261  34.946
  647    HZ2  LYS  87           1HZ      LYS  87   3.908  16.514  34.265
  648    HZ3  LYS  87           2HZ      LYS  87   3.412  17.965  33.710
  649    H    ILE  88           H        ILE  88   1.459  16.215  29.189
  650    HA   ILE  88           HA       ILE  88  -1.248  14.999  29.571
  651    HB   ILE  88           HB       ILE  88   1.059  14.083  27.803
  652   HG12  ILE  88          2HG1      ILE  88   0.041  15.992  26.733
  653   HG13  ILE  88          3HG1      ILE  88  -0.336  14.524  25.859
  654   HG21  ILE  88          1HG2      ILE  88  -0.613  12.425  26.897
  655   HG22  ILE  88          2HG2      ILE  88  -0.098  12.119  28.552
  656   HG23  ILE  88          3HG2      ILE  88  -1.688  12.849  28.241
  657   HD11  ILE  88          3HD1      ILE  88  -2.299  15.942  25.937
  658   HD12  ILE  88          1HD1      ILE  88  -2.623  14.510  26.919
  659   HD13  ILE  88          2HD1      ILE  88  -2.214  16.059  27.695
  660    H    HIS  89           H        HIS  89  -1.184  12.896  30.725
  661    HA   HIS  89           HA       HIS  89   1.335  12.316  32.158
  662    HD1  HIS  89           HD1      HIS  89   2.339  12.903  34.625
  663    HD2  HIS  89           HD2      HIS  89  -1.198  10.801  35.488
  664    HE1  HIS  89           HE1      HIS  89   2.820  11.490  36.704
  665    HB2  HIS  89           2HB      HIS  89  -0.147  13.817  33.560
  666    HB3  HIS  89           3HB      HIS  89  -1.376  12.550  33.519
  667    H    VAL  90           H        VAL  90   1.399  10.121  32.960
  668    HA   VAL  90           HA       VAL  90  -0.530   8.241  31.720
  669    HB   VAL  90           HB       VAL  90   2.509   8.077  31.600
  670   HG11  VAL  90          1HG1      VAL  90   0.405   6.361  30.238
  671   HG12  VAL  90          2HG1      VAL  90   2.168   6.187  30.094
  672   HG13  VAL  90          3HG1      VAL  90   1.364   5.882  31.648
  673   HG21  VAL  90          3HG2      VAL  90   1.878   9.821  30.055
  674   HG22  VAL  90          1HG2      VAL  90   2.220   8.373  29.114
  675   HG23  VAL  90          2HG2      VAL  90   0.535   8.853  29.413
  676    H    TYR  91           H        TYR  91  -1.013   6.486  33.140
  677    HA   TYR  91           HA       TYR  91   0.561   6.071  35.531
  678    HD1  TYR  91           HD1      TYR  91  -2.664   7.812  33.865
  679    HD2  TYR  91           HD2      TYR  91  -2.957   7.325  38.144
  680    HE1  TYR  91           HE1      TYR  91  -5.052   8.331  33.750
  681    HE2  TYR  91           HE2      TYR  91  -5.366   7.874  38.038
  682    HH   TYR  91           HH       TYR  91  -7.020   8.680  34.960
  683    HB2  TYR  91           2HB      TYR  91  -0.915   6.906  37.145
  684    HB3  TYR  91           3HB      TYR  91  -0.624   8.209  36.034
  685    H    GLY  92           H        GLY  92  -0.825   4.648  37.160
  686    HA2  GLY  92           2HA      GLY  92  -2.017   2.714  37.542
  687    HA3  GLY  92           3HA      GLY  92  -2.763   2.870  35.949
  688    H    TYR  93           H        TYR  93  -2.428   0.536  35.804
  689    HA   TYR  93           HA       TYR  93  -0.152   0.012  34.139
  690    HD1  TYR  93           HD1      TYR  93  -1.209  -3.619  36.174
  691    HD2  TYR  93           HD2      TYR  93   0.107  -0.154  38.383
  692    HE1  TYR  93           HE1      TYR  93  -2.117  -4.608  38.240
  693    HE2  TYR  93           HE2      TYR  93  -0.741  -1.172  40.467
  694    HH   TYR  93           HH       TYR  93  -2.389  -4.357  40.543
  695    HB2  TYR  93           2HB      TYR  93   0.517  -2.082  35.283
  696    HB3  TYR  93           3HB      TYR  93   0.977  -0.629  36.135
  697    H    SER  94           H        SER  94  -0.549  -2.002  32.873
  698    HA   SER  94           HA       SER  94  -3.389  -2.652  32.595
  699    HG   SER  94           HG       SER  94  -3.329  -4.358  30.234
  700    HB2  SER  94           2HB      SER  94  -2.066  -2.683  30.588
  701    HB3  SER  94           3HB      SER  94  -0.850  -3.747  31.329
  702    H    MET  95           H        MET  95  -4.422  -4.207  33.761
  703    HA   MET  95           HA       MET  95  -2.966  -6.029  35.514
  704    HB2  MET  95           2HB      MET  95  -5.914  -5.834  34.758
  705    HB3  MET  95           3HB      MET  95  -5.244  -6.949  35.956
  706    HG2  MET  95           2HG      MET  95  -4.422  -5.051  37.305
  707    HG3  MET  95           3HG      MET  95  -5.028  -3.916  36.104
  708    HE1  MET  95           3HE      MET  95  -5.867  -6.337  39.028
  709    HE2  MET  95           1HE      MET  95  -7.644  -6.376  39.034
  710    HE3  MET  95           2HE      MET  95  -6.748  -7.185  37.733
  711    H    ALA  96           H        ALA  96  -3.819  -6.025  32.142
  712    HA   ALA  96           HA       ALA  96  -4.155  -8.921  31.904
  713    HB1  ALA  96           3HB      ALA  96  -3.778  -6.773  29.761
  714    HB2  ALA  96           1HB      ALA  96  -4.242  -8.456  29.495
  715    HB3  ALA  96           2HB      ALA  96  -5.344  -7.378  30.369
  716    H    TYR  97           H        TYR  97  -1.538  -6.532  31.541
  717    HA   TYR  97           HA       TYR  97   0.322  -8.739  30.728
  718    HD1  TYR  97           HD2      TYR  97  -0.235  -9.157  28.335
  719    HD2  TYR  97           HD1      TYR  97  -1.070  -4.927  28.530
  720    HE1  TYR  97           HE2      TYR  97  -1.919  -9.411  26.538
  721    HE2  TYR  97           HE1      TYR  97  -2.742  -5.169  26.726
  722    HH   TYR  97           HH       TYR  97  -3.778  -6.612  25.272
  723    HB2  TYR  97           2HB      TYR  97   0.493  -5.815  29.963
  724    HB3  TYR  97           3HB      TYR  97   1.448  -7.145  29.322
  725    H    GLY  98           H        GLY  98   0.190  -5.508  32.312
  726    HA2  GLY  98           2HA      GLY  98   1.333  -5.636  34.631
  727    HA3  GLY  98           3HA      GLY  98   2.776  -5.989  33.655
  728    HA   PRO  99           HA       PRO  99   2.229  -1.269  33.921
  729    HB2  PRO  99           2HB      PRO  99   5.081  -1.653  34.800
  730    HB3  PRO  99           3HB      PRO  99   3.884  -0.455  35.366
  731    HG2  PRO  99           2HG      PRO  99   4.537  -2.637  36.873
  732    HG3  PRO  99           3HG      PRO  99   2.846  -2.056  36.789
  733    HD2  PRO  99           2HD      PRO  99   4.119  -4.360  35.303
  734    HD3  PRO  99           3HD      PRO  99   2.510  -4.262  36.082
  735    H    ALA 100           H        ALA 100   2.661  -0.281  31.994
  736    HA   ALA 100           HA       ALA 100   4.426  -1.429  29.993
  737    HB1  ALA 100           3HB      ALA 100   2.574  -0.029  29.248
  738    HB2  ALA 100           1HB      ALA 100   3.087   1.291  30.314
  739    HB3  ALA 100           2HB      ALA 100   4.069   0.841  28.910
  740    H    GLN 101           H        GLN 101   6.351  -0.279  29.210
  741    HA   GLN 101           HA       GLN 101   8.037   0.828  31.344
  742    HB2  GLN 101           2HB      GLN 101   8.574   0.331  28.381
  743    HB3  GLN 101           3HB      GLN 101   9.747   0.974  29.544
  744    HG2  GLN 101           2HG      GLN 101   9.451  -1.108  30.929
  745    HG3  GLN 101           3HG      GLN 101   8.424  -1.773  29.658
  746   HE21  GLN 101          2HE2      GLN 101   9.469  -1.896  27.394
  747   HE22  GLN 101          1HE2      GLN 101  11.186  -2.260  27.359
  748    H    HIS 102           H        HIS 102   6.220   2.399  31.634
  749    HA   HIS 102           HA       HIS 102   5.168   4.130  29.857
  750    HD1  HIS 102           HD1      HIS 102   4.971   2.913  34.204
  751    HD2  HIS 102           HD2      HIS 102   2.504   4.026  31.011
  752    HE1  HIS 102           HE1      HIS 102   2.764   1.683  34.528
  753    HB2  HIS 102           2HB      HIS 102   5.929   4.841  32.705
  754    HB3  HIS 102           3HB      HIS 102   4.718   5.663  31.726
  755    H    ALA 103           H        ALA 103   8.430   4.608  31.283
  756    HA   ALA 103           HA       ALA 103   8.815   7.287  30.517
  757    HB1  ALA 103           3HB      ALA 103  11.215   6.766  30.646
  758    HB2  ALA 103           1HB      ALA 103  10.347   6.013  32.000
  759    HB3  ALA 103           2HB      ALA 103  10.865   5.026  30.611
  760    H    ILE 104           H        ILE 104   9.052   4.308  28.556
  761    HA   ILE 104           HA       ILE 104  10.299   5.591  26.261
  762    HB   ILE 104           HB       ILE 104   8.626   3.036  26.422
  763   HG12  ILE 104          2HG1      ILE 104  11.644   3.409  26.658
  764   HG13  ILE 104          3HG1      ILE 104  10.550   2.868  27.932
  765   HG21  ILE 104          1HG2      ILE 104  10.622   3.924  24.295
  766   HG22  ILE 104          2HG2      ILE 104   9.672   2.427  24.288
  767   HG23  ILE 104          3HG2      ILE 104   8.852   3.974  24.119
  768   HD11  ILE 104          3HD1      ILE 104   9.989   0.850  26.505
  769   HD12  ILE 104          1HD1      ILE 104  11.329   1.332  25.436
  770   HD13  ILE 104          2HD1      ILE 104  11.651   0.930  27.127
  771    H    SER 105           H        SER 105   6.935   4.661  27.221
  772    HA   SER 105           HA       SER 105   5.658   5.711  24.966
  773    HG   SER 105           HG       SER 105   4.952   3.525  25.929
  774    HB2  SER 105           2HB      SER 105   4.476   5.657  27.763
  775    HB3  SER 105           3HB      SER 105   3.640   5.483  26.210
  776    H    THR 106           H        THR 106   6.492   7.453  28.093
  777    HA   THR 106           HA       THR 106   5.067   9.767  27.293
  778    HB   THR 106           HB       THR 106   6.472  10.920  29.049
  779    HG1  THR 106           1HG      THR 106   8.335   9.617  29.046
  780   HG21  THR 106          3HG2      THR 106   5.242   8.314  30.029
  781   HG22  THR 106          1HG2      THR 106   5.332   9.884  30.850
  782   HG23  THR 106          2HG2      THR 106   4.277   9.670  29.450
  783    H    GLU 107           H        GLU 107   8.494   8.810  26.642
  784    HA   GLU 107           HA       GLU 107   9.176  11.346  25.486
  785    HB2  GLU 107           2HB      GLU 107  10.266   8.527  25.142
  786    HB3  GLU 107           3HB      GLU 107  10.957   9.915  24.305
  787    HG2  GLU 107           2HG      GLU 107  10.695   9.753  27.338
  788    HG3  GLU 107           3HG      GLU 107  12.127   9.263  26.443
  789    H    LYS 108           H        LYS 108   7.767   8.351  24.128
  790    HA   LYS 108           HA       LYS 108   7.780   9.279  21.389
  791    HB2  LYS 108           2HB      LYS 108   6.251   7.125  22.900
  792    HB3  LYS 108           3HB      LYS 108   5.972   7.447  21.178
  793    HG2  LYS 108           2HG      LYS 108   8.307   7.024  20.643
  794    HG3  LYS 108           3HG      LYS 108   8.696   6.768  22.351
  795    HD2  LYS 108           2HD      LYS 108   7.291   4.800  22.458
  796    HD3  LYS 108           3HD      LYS 108   6.693   5.048  20.807
  797    HE2  LYS 108           2HE      LYS 108   9.668   4.839  21.308
  798    HE3  LYS 108           3HE      LYS 108   8.698   3.362  21.307
  799    HZ1  LYS 108           3HZ      LYS 108   8.174   3.607  19.095
  800    HZ2  LYS 108           1HZ      LYS 108   8.411   5.208  19.034
  801    HZ3  LYS 108           2HZ      LYS 108   9.705   4.170  19.103
  802    H    ILE 109           H        ILE 109   5.259   9.411  23.965
  803    HA   ILE 109           HA       ILE 109   3.311  10.779  22.404
  804    HB   ILE 109           HB       ILE 109   3.836  10.734  25.401
  805   HG12  ILE 109          2HG1      ILE 109   1.629   9.335  23.825
  806   HG13  ILE 109          3HG1      ILE 109   3.161   8.559  24.109
  807   HG21  ILE 109          1HG2      ILE 109   1.530  11.589  25.711
  808   HG22  ILE 109          2HG2      ILE 109   2.487  12.766  24.827
  809   HG23  ILE 109          3HG2      ILE 109   1.336  11.747  23.954
  810   HD11  ILE 109          3HD1      ILE 109   2.838   8.819  26.587
  811   HD12  ILE 109          1HD1      ILE 109   1.201   9.436  26.264
  812   HD13  ILE 109          2HD1      ILE 109   1.637   7.787  25.793
  813    H    LYS 110           H        LYS 110   6.038  12.024  24.432
  814    HA   LYS 110           HA       LYS 110   5.482  14.772  24.122
  815    HB2  LYS 110           2HB      LYS 110   7.112  13.769  25.700
  816    HB3  LYS 110           3HB      LYS 110   8.169  13.330  24.357
  817    HG2  LYS 110           2HG      LYS 110   8.427  15.750  23.793
  818    HG3  LYS 110           3HG      LYS 110   7.434  16.150  25.202
  819    HD2  LYS 110           2HD      LYS 110  10.047  14.572  25.280
  820    HD3  LYS 110           3HD      LYS 110   9.928  16.316  25.568
  821    HE2  LYS 110           2HE      LYS 110   8.634  16.020  27.561
  822    HE3  LYS 110           3HE      LYS 110   8.376  14.296  27.228
  823    HZ1  LYS 110           3HZ      LYS 110  11.024  15.457  27.803
  824    HZ2  LYS 110           1HZ      LYS 110  10.103  14.622  28.884
  825    HZ3  LYS 110           2HZ      LYS 110  10.687  13.860  27.565
  826    H    ALA 111           H        ALA 111   7.344  12.565  21.943
  827    HA   ALA 111           HA       ALA 111   8.024  14.607  20.074
  828    HB1  ALA 111           3HB      ALA 111   8.497  12.739  18.548
  829    HB2  ALA 111           1HB      ALA 111   9.139  12.392  20.167
  830    HB3  ALA 111           2HB      ALA 111   7.641  11.607  19.613
  831    H    LYS 112           H        LYS 112   5.200  12.394  20.278
  832    HA   LYS 112           HA       LYS 112   4.131  13.150  17.732
  833    HB2  LYS 112           2HB      LYS 112   3.658  10.999  18.966
  834    HB3  LYS 112           3HB      LYS 112   2.742  11.906  20.161
  835    HG2  LYS 112           2HG      LYS 112   1.151  10.923  18.700
  836    HG3  LYS 112           3HG      LYS 112   1.157  12.635  18.314
  837    HD2  LYS 112           2HD      LYS 112   2.535  12.216  16.304
  838    HD3  LYS 112           3HD      LYS 112   2.738  10.526  16.772
  839    HE2  LYS 112           2HE      LYS 112   1.095  10.590  15.040
  840    HE3  LYS 112           3HE      LYS 112   0.285  10.149  16.542
  841    HZ1  LYS 112           3HZ      LYS 112   0.293  12.859  15.324
  842    HZ2  LYS 112           1HZ      LYS 112  -0.962  11.779  15.270
  843    HZ3  LYS 112           2HZ      LYS 112  -0.501  12.439  16.701
  844    H    TYR 113           H        TYR 113   3.238  14.147  21.068
  845    HA   TYR 113           HA       TYR 113   0.930  15.575  20.221
  846    HD1  TYR 113           HD1      TYR 113  -1.073  15.053  21.570
  847    HD2  TYR 113           HD2      TYR 113   1.391  17.433  24.182
  848    HE1  TYR 113           HE1      TYR 113  -3.084  16.252  22.349
  849    HE2  TYR 113           HE2      TYR 113  -0.631  18.646  24.982
  850    HH   TYR 113           HH       TYR 113  -3.931  17.933  23.756
  851    HB2  TYR 113           2HB      TYR 113   1.374  14.404  22.435
  852    HB3  TYR 113           3HB      TYR 113   2.407  15.758  22.871
  853    HA   PRO 114           HA       PRO 114   2.687  19.522  19.170
  854    HB2  PRO 114           2HB      PRO 114   0.368  20.775  20.650
  855    HB3  PRO 114           3HB      PRO 114   0.982  21.132  19.007
  856    HG2  PRO 114           2HG      PRO 114  -1.243  19.620  19.332
  857    HG3  PRO 114           3HG      PRO 114  -0.001  19.136  18.129
  858    HD2  PRO 114           2HD      PRO 114  -0.404  18.092  20.939
  859    HD3  PRO 114           3HD      PRO 114  -0.127  17.178  19.422
  860    H    ASP 115           H        ASP 115   1.582  19.172  22.571
  861    HA   ASP 115           HA       ASP 115   3.500  21.233  23.494
  862    HB2  ASP 115           2HB      ASP 115   1.285  21.205  24.549
  863    HB3  ASP 115           3HB      ASP 115   1.523  19.527  25.050
  864    H    TYR 116           H        TYR 116   5.193  20.695  24.985
  865    HA   TYR 116           HA       TYR 116   6.271  17.995  24.427
  866    HD1  TYR 116           HD1      TYR 116   7.355  17.973  22.249
  867    HD2  TYR 116           HD2      TYR 116   7.491  22.173  23.243
  868    HE1  TYR 116           HE1      TYR 116   7.112  18.529  19.867
  869    HE2  TYR 116           HE2      TYR 116   7.241  22.740  20.844
  870    HH   TYR 116           HH       TYR 116   6.954  20.237  18.305
  871    HB2  TYR 116           2HB      TYR 116   7.759  20.581  24.971
  872    HB3  TYR 116           3HB      TYR 116   8.468  19.042  24.498
  873    H    GLU 117           H        GLU 117   4.619  18.979  26.977
  874    HA   GLU 117           HA       GLU 117   6.600  17.805  28.873
  875    HB2  GLU 117           2HB      GLU 117   5.840  20.081  29.486
  876    HB3  GLU 117           3HB      GLU 117   4.177  19.471  29.583
  877    HG2  GLU 117           2HG      GLU 117   4.973  17.766  31.276
  878    HG3  GLU 117           3HG      GLU 117   6.574  18.472  31.199
  879    H    VAL 118           H        VAL 118   6.257  15.755  29.330
  880    HA   VAL 118           HA       VAL 118   3.541  14.782  29.751
  881    HB   VAL 118           HB       VAL 118   5.601  13.100  28.276
  882   HG11  VAL 118          1HG1      VAL 118   3.669  11.626  27.817
  883   HG12  VAL 118          2HG1      VAL 118   3.860  11.872  29.565
  884   HG13  VAL 118          3HG1      VAL 118   2.597  12.736  28.688
  885   HG21  VAL 118          3HG2      VAL 118   3.265  14.592  27.009
  886   HG22  VAL 118          1HG2      VAL 118   4.989  14.878  26.709
  887   HG23  VAL 118          2HG2      VAL 118   4.268  13.350  26.222
  888    H    THR 119           H        THR 119   3.556  13.401  31.633
  889    HA   THR 119           HA       THR 119   6.189  12.497  32.642
  890    HB   THR 119           HB       THR 119   5.475  13.043  34.974
  891    HG1  THR 119           1HG      THR 119   3.844  14.366  35.368
  892   HG21  THR 119          3HG2      THR 119   5.700  15.509  33.202
  893   HG22  THR 119          1HG2      THR 119   6.104  15.381  34.933
  894   HG23  THR 119          2HG2      THR 119   7.055  14.495  33.732
  895    H    TRP 120           H        TRP 120   5.736  10.846  34.549
  896    HA   TRP 120           HA       TRP 120   3.203   9.499  34.211
  897    HD1  TRP 120           HD1      TRP 120   7.142   9.159  32.238
  898    HE1  TRP 120           HE1      TRP 120   9.311   8.065  33.012
  899    HE3  TRP 120           HE3      TRP 120   5.197   5.753  35.527
  900    HZ2  TRP 120           HZ2      TRP 120  10.115   5.906  34.779
  901    HZ3  TRP 120           HZ3      TRP 120   6.695   4.178  36.733
  902    HH2  TRP 120           HH2      TRP 120   9.146   4.244  36.363
  903    HB2  TRP 120           2HB      TRP 120   4.144   7.315  33.731
  904    HB3  TRP 120           3HB      TRP 120   4.560   8.435  32.461
  905    H    ALA 121           H        ALA 121   2.939   7.724  35.774
  906    HA   ALA 121           HA       ALA 121   4.785   7.587  38.043
  907    HB1  ALA 121           3HB      ALA 121   1.835   8.349  38.367
  908    HB2  ALA 121           1HB      ALA 121   2.955   7.954  39.689
  909    HB3  ALA 121           2HB      ALA 121   3.221   9.410  38.710
  910    H    ASN 122           H        ASN 122   4.158   5.673  39.417
  911    HA   ASN 122           HA       ASN 122   2.200   3.793  38.304
  912    HB2  ASN 122           2HB      ASN 122   4.256   3.359  36.978
  913    HB3  ASN 122           3HB      ASN 122   5.160   3.084  38.475
  914   HD21  ASN 122          2HD2      ASN 122   1.980   1.885  36.980
  915   HD22  ASN 122          1HD2      ASN 122   2.355   0.238  37.420
  916    H    ASP 123           H        ASP 123   2.274   5.360  40.677
  917    HA   ASP 123           HA       ASP 123   3.418   4.080  42.944
  918    HB2  ASP 123           2HB      ASP 123   2.725   6.423  42.923
  919    HB3  ASP 123           3HB      ASP 123   1.045   5.960  42.681
  920    H    GLY 124           H        GLY 124   0.415   3.452  41.204
  921    HA2  GLY 124           2HA      GLY 124  -0.027   0.935  42.397
  922    HA3  GLY 124           3HA      GLY 124  -1.148   2.128  43.086
  923    H    TYR 125           H        TYR 125  -2.589   0.434  41.821
  924    HA   TYR 125           HA       TYR 125  -2.848   0.791  38.965
  925    HD1  TYR 125           HD1      TYR 125  -3.845  -1.322  37.581
  926    HD2  TYR 125           HD2      TYR 125  -6.948   0.467  39.975
  927    HE1  TYR 125           HE1      TYR 125  -5.390  -1.460  35.663
  928    HE2  TYR 125           HE2      TYR 125  -8.518   0.330  38.061
  929    HH   TYR 125           HH       TYR 125  -7.543  -1.038  34.890
  930    HB2  TYR 125           2HB      TYR 125  -3.736  -1.216  40.134
  931    HB3  TYR 125           3HB      TYR 125  -4.879  -0.194  41.002
  Start of MODEL   17
    1    HA   MET   1           HA       MET   1  -0.932  -8.689  -0.929
    2    H1   MET   1           H1       MET   1  -1.936  -7.268  -3.284
    3    H2   MET   1           H2       MET   1  -2.695  -7.393  -1.840
    4    H3   MET   1           H3       MET   1  -2.468  -8.742  -2.760
    5    HB2  MET   1           2HB      MET   1  -0.301  -9.699  -3.172
    6    HB3  MET   1           3HB      MET   1   0.540  -8.193  -3.554
    7    HG2  MET   1           2HG      MET   1   2.067  -9.932  -2.683
    8    HG3  MET   1           3HG      MET   1   2.043  -8.510  -1.653
    9    HE1  MET   1           3HE      MET   1   0.353 -12.699  -0.601
   10    HE2  MET   1           1HE      MET   1  -0.324 -11.773  -1.955
   11    HE3  MET   1           2HE      MET   1   1.372 -12.308  -2.002
   12    H    ALA   2           H        ALA   2   0.747  -7.550   0.282
   13    HA   ALA   2           HA       ALA   2   1.210  -4.724  -0.408
   14    HB1  ALA   2           3HB      ALA   2  -0.104  -5.639   2.196
   15    HB2  ALA   2           1HB      ALA   2   0.404  -3.987   1.809
   16    HB3  ALA   2           2HB      ALA   2  -0.913  -4.734   0.892
   17    H    VAL   3           H        VAL   3   2.696  -3.724   1.169
   18    HA   VAL   3           HA       VAL   3   4.427  -5.376   2.797
   19    HB   VAL   3           HB       VAL   3   6.309  -3.871   1.662
   20   HG11  VAL   3          1HG1      VAL   3   5.350  -6.471   0.408
   21   HG12  VAL   3          2HG1      VAL   3   6.949  -5.729   0.155
   22   HG13  VAL   3          3HG1      VAL   3   6.480  -6.271   1.765
   23   HG21  VAL   3          3HG2      VAL   3   6.172  -3.561  -0.714
   24   HG22  VAL   3          1HG2      VAL   3   4.560  -4.286  -0.797
   25   HG23  VAL   3          2HG2      VAL   3   4.804  -2.728   0.032
   26    H    ALA   4           H        ALA   4   5.742  -3.835   4.191
   27    HA   ALA   4           HA       ALA   4   4.958  -1.048   4.297
   28    HB1  ALA   4           3HB      ALA   4   4.126  -1.158   6.627
   29    HB2  ALA   4           1HB      ALA   4   3.100  -2.126   5.561
   30    HB3  ALA   4           2HB      ALA   4   4.295  -2.928   6.613
   31    H    ASP   5           H        ASP   5   6.069  -0.221   6.559
   32    HA   ASP   5           HA       ASP   5   8.495  -1.672   7.266
   33    HB2  ASP   5           2HB      ASP   5   9.228  -0.367   5.274
   34    HB3  ASP   5           3HB      ASP   5   8.628   1.113   6.027
   35    H    LEU   6           H        LEU   6   9.347  -0.800   9.276
   36    HA   LEU   6           HA       LEU   6   7.317   0.024  11.085
   37    HG   LEU   6           HG       LEU   6   9.539  -2.211  10.962
   38    HB2  LEU   6           2HB      LEU   6  10.348   0.105  11.357
   39    HB3  LEU   6           3HB      LEU   6   9.203   0.273  12.685
   40   HD11  LEU   6          1HD1      LEU   6  10.495  -3.198  12.997
   41   HD12  LEU   6          2HD1      LEU   6  11.448  -1.817  12.448
   42   HD13  LEU   6          3HD1      LEU   6  10.360  -1.638  13.841
   43   HD21  LEU   6          3HD2      LEU   6   7.231  -2.110  11.755
   44   HD22  LEU   6          1HD2      LEU   6   8.104  -3.320  12.687
   45   HD23  LEU   6          2HD2      LEU   6   7.767  -1.734  13.408
   46    H    ALA   7           H        ALA   7   9.498   1.989   9.091
   47    HA   ALA   7           HA       ALA   7   9.177   4.412  10.613
   48    HB1  ALA   7           3HB      ALA   7  10.957   4.067   8.917
   49    HB2  ALA   7           1HB      ALA   7   9.719   4.003   7.640
   50    HB3  ALA   7           2HB      ALA   7   9.972   5.504   8.556
   51    H    LEU   8           H        LEU   8   7.141   2.745   8.226
   52    HA   LEU   8           HA       LEU   8   5.488   5.103   7.639
   53    HG   LEU   8           HG       LEU   8   6.994   2.888   5.821
   54    HB2  LEU   8           2HB      LEU   8   4.984   2.142   7.070
   55    HB3  LEU   8           3HB      LEU   8   4.066   3.492   6.423
   56   HD11  LEU   8          1HD1      LEU   8   4.507   2.653   4.072
   57   HD12  LEU   8          2HD1      LEU   8   6.182   2.317   3.579
   58   HD13  LEU   8          3HD1      LEU   8   5.403   1.302   4.795
   59   HD21  LEU   8          3HD2      LEU   8   6.777   4.647   4.072
   60   HD22  LEU   8          1HD2      LEU   8   5.176   5.079   4.717
   61   HD23  LEU   8          2HD2      LEU   8   6.642   5.307   5.702
   62    H    ILE   9           H        ILE   9   5.453   2.312   9.781
   63    HA   ILE   9           HA       ILE   9   2.714   2.397  10.518
   64    HB   ILE   9           HB       ILE   9   5.210   1.121  11.622
   65   HG12  ILE   9          2HG1      ILE   9   2.624  -0.136  10.610
   66   HG13  ILE   9          3HG1      ILE   9   3.844   0.427   9.479
   67   HG21  ILE   9          1HG2      ILE   9   2.442   0.968  12.887
   68   HG22  ILE   9          2HG2      ILE   9   3.760  -0.174  13.222
   69   HG23  ILE   9          3HG2      ILE   9   3.939   1.527  13.656
   70   HD11  ILE   9          3HD1      ILE   9   4.416  -1.646  11.618
   71   HD12  ILE   9          1HD1      ILE   9   4.015  -1.976   9.921
   72   HD13  ILE   9          2HD1      ILE   9   5.498  -1.094  10.320
   73    HA   PRO  10           HA       PRO  10   2.869   6.260  12.807
   74    HB2  PRO  10           2HB      PRO  10   0.405   5.053  14.097
   75    HB3  PRO  10           3HB      PRO  10   0.663   6.726  13.513
   76    HG2  PRO  10           2HG      PRO  10  -0.728   4.955  12.006
   77    HG3  PRO  10           3HG      PRO  10   0.478   6.037  11.233
   78    HD2  PRO  10           2HD      PRO  10   0.784   3.130  12.003
   79    HD3  PRO  10           3HD      PRO  10   1.311   3.981  10.520
   80    H    ASP  11           H        ASP  11   3.935   6.769  14.680
   81    HA   ASP  11           HA       ASP  11   4.867   4.548  16.269
   82    HB2  ASP  11           2HB      ASP  11   6.124   6.649  15.333
   83    HB3  ASP  11           3HB      ASP  11   5.538   7.453  16.795
   84    H    VAL  12           H        VAL  12   2.631   7.214  16.773
   85    HA   VAL  12           HA       VAL  12   1.811   6.138  19.403
   86    HB   VAL  12           HB       VAL  12   2.244   9.068  18.678
   87   HG11  VAL  12          1HG1      VAL  12   1.311   7.850  21.319
   88   HG12  VAL  12          2HG1      VAL  12   1.646   9.571  21.012
   89   HG13  VAL  12          3HG1      VAL  12   0.303   8.778  20.191
   90   HG21  VAL  12          3HG2      VAL  12   3.931   9.066  20.480
   91   HG22  VAL  12          1HG2      VAL  12   3.765   7.300  20.631
   92   HG23  VAL  12          2HG2      VAL  12   4.398   8.031  19.140
   93    H    ASP  13           H        ASP  13  -0.449   5.975  19.470
   94    HA   ASP  13           HA       ASP  13  -2.054   7.785  17.853
   95    HB2  ASP  13           2HB      ASP  13  -1.606   5.750  16.361
   96    HB3  ASP  13           3HB      ASP  13  -2.599   4.823  17.484
   97    H    ILE  14           H        ILE  14  -3.127   8.616  19.538
   98    HA   ILE  14           HA       ILE  14  -4.455   6.893  21.494
   99    HB   ILE  14           HB       ILE  14  -3.614   8.151  23.384
  100   HG12  ILE  14          2HG1      ILE  14  -1.761   9.654  21.479
  101   HG13  ILE  14          3HG1      ILE  14  -3.182  10.335  22.273
  102   HG21  ILE  14          1HG2      ILE  14  -2.358   6.119  22.579
  103   HG22  ILE  14          2HG2      ILE  14  -1.190   7.196  21.805
  104   HG23  ILE  14          3HG2      ILE  14  -1.400   7.216  23.568
  105   HD11  ILE  14          3HD1      ILE  14  -1.229  11.036  23.479
  106   HD12  ILE  14          1HD1      ILE  14  -2.153   9.912  24.495
  107   HD13  ILE  14          2HD1      ILE  14  -0.667   9.370  23.675
  108    H    ASP  15           H        ASP  15  -6.183   8.085  22.606
  109    HA   ASP  15           HA       ASP  15  -6.731  10.828  21.676
  110    HB2  ASP  15           2HB      ASP  15  -7.850   9.302  20.013
  111    HB3  ASP  15           3HB      ASP  15  -8.836   8.661  21.327
  112    H    SER  16           H        SER  16  -5.803   9.767  24.061
  113    HA   SER  16           HA       SER  16  -7.793   9.151  25.963
  114    HG   SER  16           HG       SER  16  -5.846   7.457  25.550
  115    HB2  SER  16           2HB      SER  16  -4.932   9.987  26.482
  116    HB3  SER  16           3HB      SER  16  -5.921   8.847  27.412
  117    H    ASP  17           H        ASP  17  -8.787  11.499  25.092
  118    HA   ASP  17           HA       ASP  17  -8.035  13.793  26.714
  119    HB2  ASP  17           2HB      ASP  17  -8.937  13.972  24.421
  120    HB3  ASP  17           3HB      ASP  17 -10.466  13.279  24.964
  121    H    GLY  18           H        GLY  18  -8.401  11.638  28.363
  122    HA2  GLY  18           2HA      GLY  18  -9.979  12.334  30.499
  123    HA3  GLY  18           3HA      GLY  18 -10.997  11.259  29.507
  124    H    VAL  19           H        VAL  19 -10.365  10.063  31.853
  125    HA   VAL  19           HA       VAL  19  -7.841   8.639  31.765
  126    HB   VAL  19           HB       VAL  19 -10.402   7.883  33.239
  127   HG11  VAL  19          1HG1      VAL  19  -8.845   6.594  34.693
  128   HG12  VAL  19          2HG1      VAL  19  -8.795   6.015  33.028
  129   HG13  VAL  19          3HG1      VAL  19  -7.485   7.051  33.640
  130   HG21  VAL  19          3HG2      VAL  19  -8.034   9.525  34.232
  131   HG22  VAL  19          1HG2      VAL  19  -9.689  10.113  33.985
  132   HG23  VAL  19          2HG2      VAL  19  -9.365   8.911  35.235
  133    H    PHE  20           H        PHE  20  -7.377   7.283  30.089
  134    HA   PHE  20           HA       PHE  20  -9.385   5.235  29.376
  135    HD1  PHE  20           HD1      PHE  20 -11.236   5.167  27.516
  136    HD2  PHE  20           HD2      PHE  20  -9.359   9.049  27.465
  137    HE1  PHE  20           HE1      PHE  20 -13.455   6.243  27.325
  138    HE2  PHE  20           HE2      PHE  20 -11.573  10.122  27.234
  139    HZ   PHE  20           HZ       PHE  20 -13.635   8.727  27.183
  140    HB2  PHE  20           2HB      PHE  20  -7.981   7.064  27.392
  141    HB3  PHE  20           3HB      PHE  20  -8.722   5.533  26.949
  142    H    LYS  21           H        LYS  21  -8.509   3.296  28.967
  143    HA   LYS  21           HA       LYS  21  -5.889   2.678  29.933
  144    HB2  LYS  21           2HB      LYS  21  -7.713   1.001  28.159
  145    HB3  LYS  21           3HB      LYS  21  -6.347   0.403  29.109
  146    HG2  LYS  21           2HG      LYS  21  -7.469   0.992  31.212
  147    HG3  LYS  21           3HG      LYS  21  -8.818   1.724  30.328
  148    HD2  LYS  21           2HD      LYS  21  -9.321  -0.484  29.286
  149    HD3  LYS  21           3HD      LYS  21  -8.066  -1.222  30.316
  150    HE2  LYS  21           2HE      LYS  21  -9.276  -0.448  32.341
  151    HE3  LYS  21           3HE      LYS  21 -10.473   0.369  31.328
  152    HZ1  LYS  21           3HZ      LYS  21 -10.080  -2.561  31.465
  153    HZ2  LYS  21           1HZ      LYS  21 -11.344  -1.713  32.053
  154    HZ3  LYS  21           2HZ      LYS  21 -11.132  -1.811  30.440
  155    H    TYR  22           H        TYR  22  -4.107   1.738  28.732
  156    HA   TYR  22           HA       TYR  22  -4.003   2.102  25.865
  157    HD1  TYR  22           HD1      TYR  22  -1.767   3.646  29.280
  158    HD2  TYR  22           HD2      TYR  22  -0.337   3.245  25.254
  159    HE1  TYR  22           HE1      TYR  22   0.540   3.496  30.143
  160    HE2  TYR  22           HE2      TYR  22   2.001   3.110  26.094
  161    HH   TYR  22           HH       TYR  22   3.392   3.370  27.941
  162    HB2  TYR  22           2HB      TYR  22  -2.621   3.866  25.690
  163    HB3  TYR  22           3HB      TYR  22  -3.174   4.311  27.274
  164    H    VAL  23           H        VAL  23  -1.866   1.215  25.047
  165    HA   VAL  23           HA       VAL  23  -0.625  -0.719  26.885
  166    HB   VAL  23           HB       VAL  23  -2.575  -1.829  25.916
  167   HG11  VAL  23          1HG1      VAL  23  -2.650  -2.400  23.503
  168   HG12  VAL  23          2HG1      VAL  23  -2.882  -0.676  23.839
  169   HG13  VAL  23          3HG1      VAL  23  -1.325  -1.245  23.226
  170   HG21  VAL  23          3HG2      VAL  23  -0.645  -3.189  26.479
  171   HG22  VAL  23          1HG2      VAL  23  -1.510  -3.838  25.086
  172   HG23  VAL  23          2HG2      VAL  23   0.025  -2.973  24.853
  173    H    LEU  24           H        LEU  24   1.443  -1.384  26.211
  174    HA   LEU  24           HA       LEU  24   2.765   0.381  24.196
  175    HG   LEU  24           HG       LEU  24   5.606  -0.981  25.159
  176    HB2  LEU  24           2HB      LEU  24   3.533   0.839  26.478
  177    HB3  LEU  24           3HB      LEU  24   3.764  -0.883  26.788
  178   HD11  LEU  24          1HD1      LEU  24   5.084   0.653  23.508
  179   HD12  LEU  24          2HD1      LEU  24   4.973   1.958  24.697
  180   HD13  LEU  24          3HD1      LEU  24   6.549   1.239  24.299
  181   HD21  LEU  24          3HD2      LEU  24   5.913   1.306  27.155
  182   HD22  LEU  24          1HD2      LEU  24   6.081  -0.433  27.505
  183   HD23  LEU  24          2HD2      LEU  24   7.228   0.367  26.421
  184    H    ILE  25           H        ILE  25   3.182  -0.801  22.385
  185    HA   ILE  25           HA       ILE  25   3.291  -3.777  22.669
  186    HB   ILE  25           HB       ILE  25   2.230  -2.235  20.285
  187   HG12  ILE  25          2HG1      ILE  25   0.587  -3.341  22.602
  188   HG13  ILE  25          3HG1      ILE  25   0.743  -1.642  22.134
  189   HG21  ILE  25          1HG2      ILE  25   1.285  -4.376  19.639
  190   HG22  ILE  25          2HG2      ILE  25   2.988  -4.608  19.971
  191   HG23  ILE  25          3HG2      ILE  25   1.790  -5.117  21.181
  192   HD11  ILE  25          3HD1      ILE  25  -1.372  -2.380  21.296
  193   HD12  ILE  25          1HD1      ILE  25  -0.289  -2.236  19.902
  194   HD13  ILE  25          2HD1      ILE  25  -0.680  -3.830  20.582
  195    H    ARG  26           H        ARG  26   4.964  -4.803  21.650
  196    HA   ARG  26           HA       ARG  26   6.959  -3.128  20.217
  197    HE   ARG  26           HE       ARG  26  10.411  -3.963  21.493
  198    HB2  ARG  26           2HB      ARG  26   7.901  -4.521  21.953
  199    HB3  ARG  26           3HB      ARG  26   7.070  -5.961  21.343
  200    HG2  ARG  26           2HG      ARG  26   8.412  -6.019  19.349
  201    HG3  ARG  26           3HG      ARG  26   9.083  -4.409  19.650
  202    HD2  ARG  26           2HD      ARG  26   9.529  -6.779  21.505
  203    HD3  ARG  26           3HD      ARG  26  10.627  -6.336  20.180
  204   HH11  ARG  26          1HH2      ARG  26  11.294  -7.203  22.725
  205   HH12  ARG  26          2HH2      ARG  26  12.320  -6.562  23.956
  206   HH21  ARG  26          1HH1      ARG  26  11.659  -3.180  22.969
  207   HH22  ARG  26          2HH1      ARG  26  12.551  -4.141  24.136
  208    H    VAL  27           H        VAL  27   7.163  -3.380  18.054
  209    HA   VAL  27           HA       VAL  27   5.303  -5.232  16.642
  210    HB   VAL  27           HB       VAL  27   6.599  -2.656  15.625
  211   HG11  VAL  27          1HG1      VAL  27   4.905  -2.829  13.825
  212   HG12  VAL  27          2HG1      VAL  27   5.954  -4.249  13.861
  213   HG13  VAL  27          3HG1      VAL  27   4.312  -4.351  14.532
  214   HG21  VAL  27          3HG2      VAL  27   4.369  -1.605  15.808
  215   HG22  VAL  27          1HG2      VAL  27   3.775  -3.021  16.705
  216   HG23  VAL  27          2HG2      VAL  27   5.065  -1.993  17.380
  217    H    HIS  28           H        HIS  28   6.319  -6.723  15.357
  218    HA   HIS  28           HA       HIS  28   9.278  -6.567  14.944
  219    HD1  HIS  28           HD1      HIS  28  10.520  -7.869  17.049
  220    HD2  HIS  28           HD2      HIS  28   6.684  -9.571  17.385
  221    HE1  HIS  28           HE1      HIS  28  10.246  -8.586  19.489
  222    HB2  HIS  28           2HB      HIS  28   7.423  -8.993  14.964
  223    HB3  HIS  28           3HB      HIS  28   9.166  -9.009  14.719
  224    H    SER  29           H        SER  29   9.828  -6.350  12.781
  225    HA   SER  29           HA       SER  29   7.638  -6.084  10.874
  226    HG   SER  29           HG       SER  29  11.137  -5.613  11.553
  227    HB2  SER  29           2HB      SER  29   9.395  -5.349   9.308
  228    HB3  SER  29           3HB      SER  29   9.361  -4.429  10.813
  229    H    ALA  30           H        ALA  30   7.254  -7.267   9.063
  230    HA   ALA  30           HA       ALA  30   9.009  -9.309   8.081
  231    HB1  ALA  30           3HB      ALA  30   6.312 -10.144   9.233
  232    HB2  ALA  30           1HB      ALA  30   7.342 -11.136   8.166
  233    HB3  ALA  30           2HB      ALA  30   7.922 -10.681   9.782
  234    HA   PRO  31           HA       PRO  31   6.422  -6.167   5.748
  235    HB2  PRO  31           2HB      PRO  31   8.734  -6.619   3.839
  236    HB3  PRO  31           3HB      PRO  31   7.855  -5.105   4.192
  237    HG2  PRO  31           2HG      PRO  31  10.231  -5.584   5.387
  238    HG3  PRO  31           3HG      PRO  31   8.869  -4.943   6.362
  239    HD2  PRO  31           2HD      PRO  31   9.869  -7.799   6.202
  240    HD3  PRO  31           3HD      PRO  31   9.354  -6.858   7.611
  241    H    ARG  32           H        ARG  32   7.838  -9.152   4.395
  242    HA   ARG  32           HA       ARG  32   5.314  -9.773   3.162
  243    HE   ARG  32           HE       ARG  32   3.890 -11.954   1.228
  244    HB2  ARG  32           2HB      ARG  32   6.748  -8.553   1.395
  245    HB3  ARG  32           3HB      ARG  32   7.858  -9.908   1.465
  246    HG2  ARG  32           2HG      ARG  32   6.368  -9.952  -0.473
  247    HG3  ARG  32           3HG      ARG  32   6.173 -11.395   0.503
  248    HD2  ARG  32           2HD      ARG  32   4.320  -8.998   0.812
  249    HD3  ARG  32           3HD      ARG  32   4.082 -10.183  -0.473
  250   HH11  ARG  32          1HH2      ARG  32   2.928  -8.597   2.124
  251   HH12  ARG  32          2HH2      ARG  32   1.997  -9.124   3.462
  252   HH21  ARG  32          1HH1      ARG  32   2.828 -12.578   3.081
  253   HH22  ARG  32          2HH1      ARG  32   1.861 -11.450   3.989
  254    H    SER  33           H        SER  33   5.471 -12.142   2.408
  255    HA   SER  33           HA       SER  33   5.876 -13.694   4.573
  256    HG   SER  33           HG       SER  33   3.664 -14.499   1.804
  257    HB2  SER  33           2HB      SER  33   5.958 -14.763   1.743
  258    HB3  SER  33           3HB      SER  33   5.176 -15.467   3.167
  259    H    GLY  34           H        GLY  34   8.424 -12.882   2.286
  260    HA2  GLY  34           2HA      GLY  34  10.337 -14.313   4.006
  261    HA3  GLY  34           3HA      GLY  34  10.373 -14.669   2.269
  262    H    ALA  35           H        ALA  35   9.623 -11.478   3.755
  263    HA   ALA  35           HA       ALA  35  11.478 -10.117   2.018
  264    HB1  ALA  35           3HB      ALA  35   9.933  -9.222   4.481
  265    HB2  ALA  35           1HB      ALA  35  10.924  -8.133   3.492
  266    HB3  ALA  35           2HB      ALA  35   9.521  -8.925   2.769
  267    HA   PRO  36           HA       PRO  36  15.075 -10.673   4.560
  268    HB2  PRO  36           2HB      PRO  36  16.862  -9.001   3.383
  269    HB3  PRO  36           3HB      PRO  36  16.085 -10.324   2.473
  270    HG2  PRO  36           2HG      PRO  36  15.203  -7.413   2.581
  271    HG3  PRO  36           3HG      PRO  36  15.545  -8.406   1.124
  272    HD2  PRO  36           2HD      PRO  36  13.017  -8.124   2.128
  273    HD3  PRO  36           3HD      PRO  36  13.577  -9.657   1.391
  274    H    ALA  37           H        ALA  37  13.199  -9.272   6.085
  275    HA   ALA  37           HA       ALA  37  14.870  -7.367   7.594
  276    HB1  ALA  37           3HB      ALA  37  13.645  -5.925   6.018
  277    HB2  ALA  37           1HB      ALA  37  12.109  -6.689   6.492
  278    HB3  ALA  37           2HB      ALA  37  13.017  -5.711   7.667
  279    H    ALA  38           H        ALA  38  14.493  -7.519   9.735
  280    HA   ALA  38           HA       ALA  38  12.058  -8.687  10.851
  281    HB1  ALA  38           3HB      ALA  38  13.461 -10.677  10.318
  282    HB2  ALA  38           1HB      ALA  38  14.797  -9.986  11.272
  283    HB3  ALA  38           2HB      ALA  38  13.278 -10.457  12.064
  284    H    GLU  39           H        GLU  39  13.331  -6.066  10.868
  285    HA   GLU  39           HA       GLU  39  14.640  -5.615  13.448
  286    HB2  GLU  39           2HB      GLU  39  13.402  -3.733  11.384
  287    HB3  GLU  39           3HB      GLU  39  14.243  -3.212  12.852
  288    HG2  GLU  39           2HG      GLU  39  16.300  -4.399  12.077
  289    HG3  GLU  39           3HG      GLU  39  15.480  -4.816  10.572
  290    H    SER  40           H        SER  40  13.515  -4.047  15.045
  291    HA   SER  40           HA       SER  40  10.587  -4.373  15.127
  292    HG   SER  40           HG       SER  40  12.577  -6.661  15.927
  293    HB2  SER  40           2HB      SER  40  12.369  -5.021  17.503
  294    HB3  SER  40           3HB      SER  40  10.618  -5.207  17.402
  295    H    LYS  41           H        LYS  41   9.605  -2.936  16.765
  296    HA   LYS  41           HA       LYS  41  11.245  -0.951  18.079
  297    HB2  LYS  41           2HB      LYS  41  10.331   1.036  17.188
  298    HB3  LYS  41           3HB      LYS  41  10.921   0.123  15.810
  299    HG2  LYS  41           2HG      LYS  41   8.648  -0.475  15.151
  300    HG3  LYS  41           3HG      LYS  41   7.975   0.176  16.651
  301    HD2  LYS  41           2HD      LYS  41   8.795   2.438  16.056
  302    HD3  LYS  41           3HD      LYS  41   9.364   1.815  14.496
  303    HE2  LYS  41           2HE      LYS  41   7.055   1.222  13.866
  304    HE3  LYS  41           3HE      LYS  41   6.481   1.675  15.483
  305    HZ1  LYS  41           3HZ      LYS  41   7.197   3.951  15.022
  306    HZ2  LYS  41           1HZ      LYS  41   7.623   3.495  13.473
  307    HZ3  LYS  41           2HZ      LYS  41   6.080   3.448  13.885
  308    H    GLU  42           H        GLU  42   9.601   0.612  19.339
  309    HA   GLU  42           HA       GLU  42   7.277  -1.026  20.257
  310    HB2  GLU  42           2HB      GLU  42   8.783   1.258  21.599
  311    HB3  GLU  42           3HB      GLU  42   7.250   0.602  22.155
  312    HG2  GLU  42           2HG      GLU  42   8.886  -0.421  23.489
  313    HG3  GLU  42           3HG      GLU  42   8.301  -1.650  22.370
  314    H    ILE  43           H        ILE  43   5.243   0.014  20.406
  315    HA   ILE  43           HA       ILE  43   4.980   2.757  19.334
  316    HB   ILE  43           HB       ILE  43   2.904   2.131  18.182
  317   HG12  ILE  43          2HG1      ILE  43   3.675  -0.774  18.640
  318   HG13  ILE  43          3HG1      ILE  43   2.365   0.058  19.456
  319   HG21  ILE  43          1HG2      ILE  43   5.098   2.312  17.017
  320   HG22  ILE  43          2HG2      ILE  43   5.254   0.542  17.099
  321   HG23  ILE  43          3HG2      ILE  43   3.927   1.292  16.177
  322   HD11  ILE  43          3HD1      ILE  43   2.447  -0.422  16.449
  323   HD12  ILE  43          1HD1      ILE  43   1.540  -1.353  17.647
  324   HD13  ILE  43          2HD1      ILE  43   1.146   0.350  17.376
  325    H    VAL  44           H        VAL  44   3.165   3.880  20.135
  326    HA   VAL  44           HA       VAL  44   2.081   2.810  22.723
  327    HB   VAL  44           HB       VAL  44   2.288   5.675  21.688
  328   HG11  VAL  44          1HG1      VAL  44   1.769   6.364  23.968
  329   HG12  VAL  44          2HG1      VAL  44   0.469   5.329  23.375
  330   HG13  VAL  44          3HG1      VAL  44   1.677   4.682  24.501
  331   HG21  VAL  44          3HG2      VAL  44   4.553   4.840  22.122
  332   HG22  VAL  44          1HG2      VAL  44   4.073   5.995  23.364
  333   HG23  VAL  44          2HG2      VAL  44   4.049   4.246  23.720
  334    H    ARG  45           H        ARG  45  -0.094   2.302  22.725
  335    HA   ARG  45           HA       ARG  45  -1.865   3.494  20.626
  336    HE   ARG  45           HE       ARG  45  -0.639   3.360  18.954
  337    HB2  ARG  45           2HB      ARG  45  -1.825   0.613  21.615
  338    HB3  ARG  45           3HB      ARG  45  -3.018   1.316  20.519
  339    HG2  ARG  45           2HG      ARG  45  -0.071   0.967  19.824
  340    HG3  ARG  45           3HG      ARG  45  -1.327  -0.201  19.499
  341    HD2  ARG  45           2HD      ARG  45  -1.283   0.858  17.478
  342    HD3  ARG  45           3HD      ARG  45  -2.558   1.799  18.268
  343   HH11  ARG  45          1HH2      ARG  45  -0.705   1.825  15.724
  344   HH12  ARG  45          2HH2      ARG  45   0.754   2.638  15.231
  345   HH21  ARG  45          1HH1      ARG  45   1.227   4.302  18.278
  346   HH22  ARG  45          2HH1      ARG  45   1.823   4.079  16.643
  347    H    GLY  46           H        GLY  46  -3.741   4.276  21.491
  348    HA2  GLY  46           2HA      GLY  46  -4.697   3.481  24.173
  349    HA3  GLY  46           3HA      GLY  46  -3.936   5.076  24.042
  350    H    TYR  47           H        TYR  47  -6.130   3.177  21.900
  351    HA   TYR  47           HA       TYR  47  -7.627   5.520  21.128
  352    HD1  TYR  47           HD1      TYR  47  -7.535   5.208  18.320
  353    HD2  TYR  47           HD2      TYR  47  -6.532   1.405  20.090
  354    HE1  TYR  47           HE1      TYR  47  -5.968   4.766  16.464
  355    HE2  TYR  47           HE2      TYR  47  -4.931   0.965  18.250
  356    HH   TYR  47           HH       TYR  47  -4.063   1.741  16.213
  357    HB2  TYR  47           2HB      TYR  47  -8.424   2.594  20.873
  358    HB3  TYR  47           3HB      TYR  47  -9.059   3.972  19.988
  359    H    LYS  48           H        LYS  48  -9.424   6.387  22.135
  360    HA   LYS  48           HA       LYS  48 -10.117   5.505  24.736
  361    HB2  LYS  48           2HB      LYS  48 -11.750   7.234  24.763
  362    HB3  LYS  48           3HB      LYS  48 -10.309   7.841  23.961
  363    HG2  LYS  48           2HG      LYS  48 -11.442   7.538  21.752
  364    HG3  LYS  48           3HG      LYS  48 -12.884   6.921  22.589
  365    HD2  LYS  48           2HD      LYS  48 -13.011   9.083  23.868
  366    HD3  LYS  48           3HD      LYS  48 -11.687   9.714  22.888
  367    HE2  LYS  48           2HE      LYS  48 -14.435   8.814  21.888
  368    HE3  LYS  48           3HE      LYS  48 -13.883  10.481  22.092
  369    HZ1  LYS  48           3HZ      LYS  48 -12.867   8.541  20.120
  370    HZ2  LYS  48           1HZ      LYS  48 -13.638   9.963  19.828
  371    HZ3  LYS  48           2HZ      LYS  48 -12.108   9.956  20.442
  372    H    TRP  49           H        TRP  49 -11.466   4.441  21.655
  373    HA   TRP  49           HA       TRP  49 -13.994   3.622  22.728
  374    HD1  TRP  49           HD1      TRP  49 -12.209   4.666  18.707
  375    HE1  TRP  49           HE1      TRP  49 -10.221   3.614  17.496
  376    HE3  TRP  49           HE3      TRP  49 -12.253   0.016  20.899
  377    HZ2  TRP  49           HZ2      TRP  49  -8.615   1.242  17.736
  378    HZ3  TRP  49           HZ3      TRP  49 -10.387  -1.545  20.509
  379    HH2  TRP  49           HH2      TRP  49  -8.520  -0.927  18.993
  380    HB2  TRP  49           2HB      TRP  49 -14.174   2.282  20.621
  381    HB3  TRP  49           3HB      TRP  49 -13.916   3.998  20.418
  382    H    ALA  50           H        ALA  50 -10.815   2.149  23.004
  383    HA   ALA  50           HA       ALA  50 -11.726  -0.565  23.040
  384    HB1  ALA  50           3HB      ALA  50  -9.498  -1.044  23.919
  385    HB2  ALA  50           1HB      ALA  50  -9.407   0.046  22.531
  386    HB3  ALA  50           2HB      ALA  50  -9.188   0.683  24.179
  387    H    GLU  51           H        GLU  51 -12.745  -1.642  24.577
  388    HA   GLU  51           HA       GLU  51 -13.250  -0.544  27.219
  389    HB2  GLU  51           2HB      GLU  51 -13.681  -3.305  25.996
  390    HB3  GLU  51           3HB      GLU  51 -14.202  -2.873  27.622
  391    HG2  GLU  51           2HG      GLU  51 -15.149  -1.480  25.079
  392    HG3  GLU  51           3HG      GLU  51 -16.014  -2.759  25.914
  393    H    TYR  52           H        TYR  52 -10.689  -2.501  25.827
  394    HA   TYR  52           HA       TYR  52  -9.362  -2.776  28.445
  395    HD1  TYR  52           HD2      TYR  52  -9.615  -5.069  30.288
  396    HD2  TYR  52           HD1      TYR  52 -12.409  -5.239  27.003
  397    HE1  TYR  52           HE2      TYR  52 -11.439  -5.664  31.868
  398    HE2  TYR  52           HE1      TYR  52 -14.225  -5.836  28.567
  399    HH   TYR  52           HH       TYR  52 -14.798  -6.239  30.792
  400    HB2  TYR  52           2HB      TYR  52 -10.008  -5.111  26.591
  401    HB3  TYR  52           3HB      TYR  52  -8.863  -5.187  27.918
  402    H    HIS  53           H        HIS  53  -7.126  -3.121  28.240
  403    HA   HIS  53           HA       HIS  53  -5.684  -2.098  26.008
  404    HD2  HIS  53           HD2      HIS  53  -5.576  -2.509  30.372
  405    HE1  HIS  53           HE1      HIS  53  -5.974  -6.748  30.258
  406    HE2  HIS  53           HE2      HIS  53  -6.288  -4.666  31.694
  407    HB2  HIS  53           2HB      HIS  53  -3.790  -3.446  27.212
  408    HB3  HIS  53           3HB      HIS  53  -4.537  -2.084  28.038
  409    H    ALA  54           H        ALA  54  -6.634  -5.445  26.889
  410    HA   ALA  54           HA       ALA  54  -5.383  -6.770  24.778
  411    HB1  ALA  54           3HB      ALA  54  -7.039  -8.548  25.183
  412    HB2  ALA  54           1HB      ALA  54  -6.424  -7.895  26.713
  413    HB3  ALA  54           2HB      ALA  54  -8.042  -7.425  26.124
  414    H    ASP  55           H        ASP  55  -8.355  -4.789  24.660
  415    HA   ASP  55           HA       ASP  55  -9.326  -5.908  22.162
  416    HB2  ASP  55           2HB      ASP  55 -10.662  -4.544  23.933
  417    HB3  ASP  55           3HB      ASP  55  -9.872  -3.130  23.261
  418    H    ILE  56           H        ILE  56  -7.279  -3.185  23.189
  419    HA   ILE  56           HA       ILE  56  -6.814  -2.071  20.588
  420    HB   ILE  56           HB       ILE  56  -4.984  -2.028  23.037
  421   HG12  ILE  56          2HG1      ILE  56  -7.106  -0.009  22.236
  422   HG13  ILE  56          3HG1      ILE  56  -7.209  -1.145  23.590
  423   HG21  ILE  56          1HG2      ILE  56  -3.795  -1.403  21.011
  424   HG22  ILE  56          2HG2      ILE  56  -5.094  -0.284  20.552
  425   HG23  ILE  56          3HG2      ILE  56  -4.085   0.030  21.983
  426   HD11  ILE  56          3HD1      ILE  56  -5.209  -0.057  24.630
  427   HD12  ILE  56          1HD1      ILE  56  -5.310   1.207  23.376
  428   HD13  ILE  56          2HD1      ILE  56  -6.647   0.973  24.502
  429    H    TYR  57           H        TYR  57  -4.938  -4.421  22.615
  430    HA   TYR  57           HA       TYR  57  -2.862  -4.839  20.785
  431    HD1  TYR  57           HD1      TYR  57  -0.768  -6.091  21.152
  432    HD2  TYR  57           HD2      TYR  57  -3.670  -8.991  22.478
  433    HE1  TYR  57           HE1      TYR  57   0.701  -7.910  20.370
  434    HE2  TYR  57           HE2      TYR  57  -2.188 -10.825  21.690
  435    HH   TYR  57           HH       TYR  57   0.944 -10.221  20.030
  436    HB2  TYR  57           2HB      TYR  57  -2.719  -5.662  23.056
  437    HB3  TYR  57           3HB      TYR  57  -4.110  -6.714  22.817
  438    H    ASP  58           H        ASP  58  -5.997  -6.623  21.030
  439    HA   ASP  58           HA       ASP  58  -5.436  -8.485  18.976
  440    HB2  ASP  58           2HB      ASP  58  -7.288  -8.770  20.527
  441    HB3  ASP  58           3HB      ASP  58  -8.088  -7.323  19.904
  442    H    LYS  59           H        LYS  59  -7.083  -5.265  18.775
  443    HA   LYS  59           HA       LYS  59  -7.625  -5.523  15.982
  444    HB2  LYS  59           2HB      LYS  59  -8.761  -3.944  17.578
  445    HB3  LYS  59           3HB      LYS  59  -7.306  -2.934  17.577
  446    HG2  LYS  59           2HG      LYS  59  -7.538  -2.592  15.127
  447    HG3  LYS  59           3HG      LYS  59  -8.931  -3.695  15.099
  448    HD2  LYS  59           2HD      LYS  59 -10.134  -2.126  16.654
  449    HD3  LYS  59           3HD      LYS  59  -8.751  -1.010  16.509
  450    HE2  LYS  59           2HE      LYS  59  -9.093  -0.876  14.066
  451    HE3  LYS  59           3HE      LYS  59 -10.433  -2.028  14.183
  452    HZ1  LYS  59           3HZ      LYS  59 -10.390   0.657  15.420
  453    HZ2  LYS  59           1HZ      LYS  59 -11.229   0.243  14.066
  454    HZ3  LYS  59           2HZ      LYS  59 -11.630  -0.413  15.521
  455    H    VAL  60           H        VAL  60  -4.926  -3.962  17.757
  456    HA   VAL  60           HA       VAL  60  -3.686  -2.909  15.395
  457    HB   VAL  60           HB       VAL  60  -2.669  -3.416  18.218
  458   HG11  VAL  60          1HG1      VAL  60  -0.870  -1.757  17.664
  459   HG12  VAL  60          2HG1      VAL  60  -0.698  -3.274  16.775
  460   HG13  VAL  60          3HG1      VAL  60  -1.353  -1.844  15.954
  461   HG21  VAL  60          3HG2      VAL  60  -3.099  -1.045  18.541
  462   HG22  VAL  60          1HG2      VAL  60  -3.488  -0.818  16.816
  463   HG23  VAL  60          2HG2      VAL  60  -4.567  -1.728  17.881
  464    H    SER  61           H        SER  61  -3.216  -6.029  17.200
  465    HA   SER  61           HA       SER  61  -1.008  -6.912  15.639
  466    HG   SER  61           HG       SER  61  -2.310  -7.407  18.467
  467    HB2  SER  61           2HB      SER  61  -3.247  -8.576  16.875
  468    HB3  SER  61           3HB      SER  61  -1.654  -9.162  16.346
  469    H    GLY  62           H        GLY  62  -4.572  -7.248  15.105
  470    HA2  GLY  62           2HA      GLY  62  -4.433  -8.744  12.699
  471    HA3  GLY  62           3HA      GLY  62  -5.746  -7.648  13.185
  472    H    ASP  63           H        ASP  63  -4.484  -5.163  13.239
  473    HA   ASP  63           HA       ASP  63  -4.416  -4.476  10.476
  474    HB2  ASP  63           2HB      ASP  63  -5.012  -2.880  12.277
  475    HB3  ASP  63           3HB      ASP  63  -3.323  -2.855  12.802
  476    H    MET  64           H        MET  64  -1.726  -4.844  12.857
  477    HA   MET  64           HA       MET  64   0.340  -4.139  11.070
  478    HB2  MET  64           2HB      MET  64   0.281  -5.876  13.572
  479    HB3  MET  64           3HB      MET  64   1.758  -5.613  12.657
  480    HG2  MET  64           2HG      MET  64   0.073  -3.485  14.001
  481    HG3  MET  64           3HG      MET  64   1.675  -4.032  14.470
  482    HE1  MET  64           3HE      MET  64  -0.422  -1.667  12.574
  483    HE2  MET  64           1HE      MET  64   0.545  -0.945  13.891
  484    HE3  MET  64           2HE      MET  64   0.781  -0.418  12.204
  485    H    GLN  65           H        GLN  65  -1.196  -7.334  11.668
  486    HA   GLN  65           HA       GLN  65   0.604  -8.802  10.007
  487    HB2  GLN  65           2HB      GLN  65  -2.246  -9.234  10.944
  488    HB3  GLN  65           3HB      GLN  65  -1.392 -10.419   9.941
  489    HG2  GLN  65           2HG      GLN  65   0.316 -10.775  11.587
  490    HG3  GLN  65           3HG      GLN  65  -0.151  -9.367  12.517
  491   HE21  GLN  65          2HE2      GLN  65  -0.100 -10.981  14.370
  492   HE22  GLN  65          1HE2      GLN  65  -1.570 -11.891  14.637
  493    H    LYS  66           H        LYS  66  -2.303  -6.861   9.194
  494    HA   LYS  66           HA       LYS  66  -2.176  -7.589   6.384
  495    HB2  LYS  66           2HB      LYS  66  -3.486  -5.197   7.752
  496    HB3  LYS  66           3HB      LYS  66  -3.639  -5.601   6.041
  497    HG2  LYS  66           2HG      LYS  66  -4.608  -7.806   6.624
  498    HG3  LYS  66           3HG      LYS  66  -4.524  -7.403   8.339
  499    HD2  LYS  66           2HD      LYS  66  -6.140  -5.869   6.260
  500    HD3  LYS  66           3HD      LYS  66  -6.783  -7.108   7.353
  501    HE2  LYS  66           2HE      LYS  66  -6.083  -5.740   9.315
  502    HE3  LYS  66           3HE      LYS  66  -5.496  -4.478   8.222
  503    HZ1  LYS  66           3HZ      LYS  66  -7.755  -4.219   7.402
  504    HZ2  LYS  66           1HZ      LYS  66  -8.314  -5.381   8.426
  505    HZ3  LYS  66           2HZ      LYS  66  -7.703  -3.975   9.019
  506    H    GLN  67           H        GLN  67  -0.551  -5.104   8.373
  507    HA   GLN  67           HA       GLN  67   0.404  -3.573   6.128
  508    HB2  GLN  67           2HB      GLN  67   1.702  -3.853   8.886
  509    HB3  GLN  67           3HB      GLN  67   2.066  -2.639   7.689
  510    HG2  GLN  67           2HG      GLN  67  -0.493  -2.888   9.266
  511    HG3  GLN  67           3HG      GLN  67   0.767  -1.698   9.477
  512   HE21  GLN  67          2HE2      GLN  67  -1.955  -1.059   9.151
  513   HE22  GLN  67          1HE2      GLN  67  -2.121  -0.198   7.627
  514    H    GLY  68           H        GLY  68   1.878  -6.075   8.165
  515    HA2  GLY  68           2HA      GLY  68   3.302  -7.796   6.884
  516    HA3  GLY  68           3HA      GLY  68   4.174  -6.369   6.288
  517    H    CYS  69           H        CYS  69   2.775  -7.081   9.572
  518    HA   CYS  69           HA       CYS  69   5.417  -7.276  10.818
  519    HG   CYS  69           HG       CYS  69   5.413  -4.892   9.384
  520    HB2  CYS  69           2HB      CYS  69   3.391  -5.036  11.300
  521    HB3  CYS  69           3HB      CYS  69   4.601  -5.510  12.502
  522    H    ASP  70           H        ASP  70   4.935  -7.664  13.299
  523    HA   ASP  70           HA       ASP  70   2.219  -8.628  13.881
  524    HB2  ASP  70           2HB      ASP  70   3.451 -10.647  13.039
  525    HB3  ASP  70           3HB      ASP  70   4.645 -10.416  14.322
  526    H    CYS  71           H        CYS  71   2.123  -9.097  16.379
  527    HA   CYS  71           HA       CYS  71   3.829  -7.055  17.742
  528    HG   CYS  71           HG       CYS  71   2.924  -4.864  17.215
  529    HB2  CYS  71           2HB      CYS  71   0.803  -7.367  17.643
  530    HB3  CYS  71           3HB      CYS  71   1.627  -6.407  18.865
  531    H    GLU  72           H        GLU  72   4.008  -7.137  19.969
  532    HA   GLU  72           HA       GLU  72   2.605  -9.170  21.553
  533    HB2  GLU  72           2HB      GLU  72   4.685 -10.311  20.935
  534    HB3  GLU  72           3HB      GLU  72   5.636  -8.874  21.316
  535    HG2  GLU  72           2HG      GLU  72   5.872 -10.497  23.085
  536    HG3  GLU  72           3HG      GLU  72   5.052  -9.071  23.688
  537    H    CYS  73           H        CYS  73   2.403  -8.350  23.742
  538    HA   CYS  73           HA       CYS  73   2.729  -5.388  23.919
  539    HG   CYS  73           HG       CYS  73   0.198  -7.135  23.312
  540    HB2  CYS  73           2HB      CYS  73   1.292  -7.413  25.669
  541    HB3  CYS  73           3HB      CYS  73   1.416  -5.675  26.024
  542    H    LEU  74           H        LEU  74   4.165  -4.420  25.236
  543    HA   LEU  74           HA       LEU  74   6.046  -6.101  26.817
  544    HG   LEU  74           HG       LEU  74   6.644  -4.169  24.211
  545    HB2  LEU  74           2HB      LEU  74   6.027  -3.095  26.311
  546    HB3  LEU  74           3HB      LEU  74   7.258  -3.996  27.190
  547   HD11  LEU  74          1HD1      LEU  74   7.947  -2.206  24.957
  548   HD12  LEU  74          2HD1      LEU  74   9.131  -3.278  25.746
  549   HD13  LEU  74          3HD1      LEU  74   8.931  -3.302  23.981
  550   HD21  LEU  74          3HD2      LEU  74   8.629  -5.817  25.847
  551   HD22  LEU  74          1HD2      LEU  74   7.241  -6.432  24.916
  552   HD23  LEU  74          2HD2      LEU  74   8.606  -5.715  24.069
  553    H    GLY  75           H        GLY  75   3.247  -3.973  27.162
  554    HA2  GLY  75           2HA      GLY  75   2.532  -4.763  29.726
  555    HA3  GLY  75           3HA      GLY  75   3.574  -3.359  29.935
  556    H    GLY  76           H        GLY  76   1.157  -2.783  30.794
  557    HA2  GLY  76           2HA      GLY  76   0.268  -0.826  28.784
  558    HA3  GLY  76           3HA      GLY  76  -0.974  -1.938  29.357
  559    H    GLY  77           H        GLY  77  -1.672   0.445  29.869
  560    HA2  GLY  77           2HA      GLY  77  -1.553   0.918  32.710
  561    HA3  GLY  77           3HA      GLY  77  -0.561   2.073  31.804
  562    H    ARG  78           H        ARG  78  -1.966   3.841  32.195
  563    HA   ARG  78           HA       ARG  78  -4.126   4.055  30.245
  564    HE   ARG  78           HE       ARG  78  -4.765   2.095  32.572
  565    HB2  ARG  78           2HB      ARG  78  -5.494   5.428  31.961
  566    HB3  ARG  78           3HB      ARG  78  -5.713   3.709  31.928
  567    HG2  ARG  78           2HG      ARG  78  -3.628   4.664  33.862
  568    HG3  ARG  78           3HG      ARG  78  -5.250   5.242  34.166
  569    HD2  ARG  78           2HD      ARG  78  -4.523   3.091  35.331
  570    HD3  ARG  78           3HD      ARG  78  -6.130   3.139  34.599
  571   HH11  ARG  78          1HH1      ARG  78  -4.639   1.113  36.035
  572   HH12  ARG  78          2HH1      ARG  78  -4.332  -0.553  35.625
  573   HH21  ARG  78          1HH2      ARG  78  -4.153  -0.023  32.125
  574   HH22  ARG  78          2HH2      ARG  78  -3.890  -1.153  33.420
  575    H    ILE  79           H        ILE  79  -4.581   6.263  29.771
  576    HA   ILE  79           HA       ILE  79  -2.380   8.147  30.462
  577    HB   ILE  79           HB       ILE  79  -3.791   7.710  27.799
  578   HG12  ILE  79          2HG1      ILE  79  -0.845   7.384  28.490
  579   HG13  ILE  79          3HG1      ILE  79  -1.982   6.060  28.332
  580   HG21  ILE  79          1HG2      ILE  79  -2.345   9.514  26.893
  581   HG22  ILE  79          2HG2      ILE  79  -3.357  10.140  28.168
  582   HG23  ILE  79          3HG2      ILE  79  -1.655   9.773  28.508
  583   HD11  ILE  79          3HD1      ILE  79  -1.058   7.904  26.104
  584   HD12  ILE  79          1HD1      ILE  79  -0.690   6.195  26.329
  585   HD13  ILE  79          2HD1      ILE  79  -2.354   6.688  25.942
  586    H    SER  80           H        SER  80  -3.181  10.362  30.612
  587    HA   SER  80           HA       SER  80  -6.073  10.812  30.392
  588    HG   SER  80           HG       SER  80  -5.797   9.191  32.079
  589    HB2  SER  80           2HB      SER  80  -4.548  11.377  32.980
  590    HB3  SER  80           3HB      SER  80  -6.256  11.743  32.654
  591    H    HIS  81           H        HIS  81  -6.519  12.943  29.869
  592    HA   HIS  81           HA       HIS  81  -4.563  15.079  30.107
  593    HD1  HIS  81           HD1      HIS  81  -3.458  17.038  28.815
  594    HD2  HIS  81           HD2      HIS  81  -5.245  15.423  25.348
  595    HE1  HIS  81           HE1      HIS  81  -3.289  18.799  27.050
  596    HB2  HIS  81           2HB      HIS  81  -3.786  13.884  28.071
  597    HB3  HIS  81           3HB      HIS  81  -5.419  13.908  27.418
  598    H    GLN  82           H        GLN  82  -5.636  17.106  29.683
  599    HA   GLN  82           HA       GLN  82  -8.297  17.194  28.564
  600    HB2  GLN  82           2HB      GLN  82  -8.817  16.736  30.959
  601    HB3  GLN  82           3HB      GLN  82  -7.812  18.098  31.460
  602    HG2  GLN  82           2HG      GLN  82  -9.307  19.671  30.287
  603    HG3  GLN  82           3HG      GLN  82 -10.265  18.321  29.659
  604   HE21  GLN  82          2HE2      GLN  82 -11.149  16.776  31.466
  605   HE22  GLN  82          1HE2      GLN  82 -11.786  17.598  32.887
  606    H    SER  83           H        SER  83  -7.479  18.545  26.975
  607    HA   SER  83           HA       SER  83  -5.177  20.048  27.181
  608    HG   SER  83           HG       SER  83  -5.741  18.487  25.202
  609    HB2  SER  83           2HB      SER  83  -7.469  20.755  25.334
  610    HB3  SER  83           3HB      SER  83  -5.727  20.843  25.010
  611    H    GLN  84           H        GLN  84  -8.375  21.012  28.205
  612    HA   GLN  84           HA       GLN  84  -7.860  23.864  28.293
  613    HB2  GLN  84           2HB      GLN  84 -10.049  22.196  29.627
  614    HB3  GLN  84           3HB      GLN  84 -10.035  23.940  29.416
  615    HG2  GLN  84           2HG      GLN  84 -11.491  23.173  27.756
  616    HG3  GLN  84           3HG      GLN  84 -10.007  23.584  26.908
  617   HE21  GLN  84          2HE2      GLN  84 -10.977  22.194  25.158
  618   HE22  GLN  84          1HE2      GLN  84 -10.756  20.454  25.278
  619    H    ASP  85           H        ASP  85  -6.715  21.326  30.288
  620    HA   ASP  85           HA       ASP  85  -6.493  23.144  32.656
  621    HB2  ASP  85           2HB      ASP  85  -8.504  21.809  32.942
  622    HB3  ASP  85           3HB      ASP  85  -7.612  20.326  32.596
  623    H    LYS  86           H        LYS  86  -5.238  20.089  31.086
  624    HA   LYS  86           HA       LYS  86  -2.731  20.501  32.588
  625    HB2  LYS  86           2HB      LYS  86  -2.778  18.172  33.480
  626    HB3  LYS  86           3HB      LYS  86  -3.970  19.249  34.208
  627    HG2  LYS  86           2HG      LYS  86  -5.788  18.215  32.980
  628    HG3  LYS  86           3HG      LYS  86  -4.671  17.308  31.961
  629    HD2  LYS  86           2HD      LYS  86  -5.672  15.849  33.637
  630    HD3  LYS  86           3HD      LYS  86  -3.927  15.955  33.810
  631    HE2  LYS  86           2HE      LYS  86  -4.910  15.957  36.002
  632    HE3  LYS  86           3HE      LYS  86  -4.197  17.546  35.707
  633    HZ1  LYS  86           3HZ      LYS  86  -6.396  17.659  36.735
  634    HZ2  LYS  86           1HZ      LYS  86  -6.396  18.448  35.321
  635    HZ3  LYS  86           2HZ      LYS  86  -7.085  16.951  35.428
  636    H    LYS  87           H        LYS  87  -0.958  19.485  31.786
  637    HA   LYS  87           HA       LYS  87  -0.892  18.564  29.071
  638    HB2  LYS  87           2HB      LYS  87   1.469  17.807  29.730
  639    HB3  LYS  87           3HB      LYS  87   1.087  19.509  29.756
  640    HG2  LYS  87           2HG      LYS  87   2.515  18.887  31.613
  641    HG3  LYS  87           3HG      LYS  87   0.989  19.556  32.175
  642    HD2  LYS  87           2HD      LYS  87   0.178  17.284  32.735
  643    HD3  LYS  87           3HD      LYS  87   1.693  16.589  32.107
  644    HE2  LYS  87           2HE      LYS  87   2.983  17.819  33.802
  645    HE3  LYS  87           3HE      LYS  87   1.521  18.636  34.369
  646    HZ1  LYS  87           3HZ      LYS  87   2.010  15.716  34.532
  647    HZ2  LYS  87           1HZ      LYS  87   2.117  16.774  35.793
  648    HZ3  LYS  87           2HZ      LYS  87   0.666  16.486  35.081
  649    H    ILE  88           H        ILE  88   0.142  16.365  28.536
  650    HA   ILE  88           HA       ILE  88  -1.764  14.353  29.321
  651    HB   ILE  88           HB       ILE  88   0.850  14.146  27.767
  652   HG12  ILE  88          2HG1      ILE  88  -2.012  14.365  26.733
  653   HG13  ILE  88          3HG1      ILE  88  -0.850  15.686  26.744
  654   HG21  ILE  88          1HG2      ILE  88  -0.068  11.986  26.905
  655   HG22  ILE  88          2HG2      ILE  88   0.107  11.920  28.642
  656   HG23  ILE  88          3HG2      ILE  88  -1.502  12.193  27.933
  657   HD11  ILE  88          3HD1      ILE  88   0.632  14.398  25.223
  658   HD12  ILE  88          1HD1      ILE  88  -0.625  13.134  25.112
  659   HD13  ILE  88          2HD1      ILE  88  -0.967  14.764  24.542
  660    H    HIS  89           H        HIS  89  -1.528  12.630  30.728
  661    HA   HIS  89           HA       HIS  89   1.014  12.268  32.191
  662    HD1  HIS  89           HD1      HIS  89   1.912  13.035  34.658
  663    HD2  HIS  89           HD2      HIS  89  -1.419  10.607  35.504
  664    HE1  HIS  89           HE1      HIS  89   2.501  11.691  36.763
  665    HB2  HIS  89           2HB      HIS  89  -0.600  13.681  33.532
  666    HB3  HIS  89           3HB      HIS  89  -1.728  12.320  33.508
  667    H    VAL  90           H        VAL  90   1.248  10.044  32.979
  668    HA   VAL  90           HA       VAL  90  -0.658   8.054  31.872
  669    HB   VAL  90           HB       VAL  90   2.367   7.897  31.574
  670   HG11  VAL  90          1HG1      VAL  90   0.134   6.339  30.218
  671   HG12  VAL  90          2HG1      VAL  90   1.876   6.114  29.963
  672   HG13  VAL  90          3HG1      VAL  90   1.149   5.751  31.536
  673   HG21  VAL  90          3HG2      VAL  90   1.808   9.743  30.152
  674   HG22  VAL  90          1HG2      VAL  90   2.001   8.335  29.113
  675   HG23  VAL  90          2HG2      VAL  90   0.372   8.920  29.522
  676    H    TYR  91           H        TYR  91  -0.858   6.182  33.204
  677    HA   TYR  91           HA       TYR  91   1.083   5.581  35.252
  678    HD1  TYR  91           HD1      TYR  91  -2.103   8.204  34.800
  679    HD2  TYR  91           HD2      TYR  91  -2.452   5.071  37.756
  680    HE1  TYR  91           HE1      TYR  91  -4.554   8.522  34.847
  681    HE2  TYR  91           HE2      TYR  91  -4.898   5.368  37.792
  682    HH   TYR  91           HH       TYR  91  -6.558   7.859  35.815
  683    HB2  TYR  91           2HB      TYR  91  -0.291   5.953  37.199
  684    HB3  TYR  91           3HB      TYR  91  -0.140   7.464  36.348
  685    H    GLY  92           H        GLY  92  -0.243   3.840  36.852
  686    HA2  GLY  92           2HA      GLY  92  -1.810   2.126  37.020
  687    HA3  GLY  92           3HA      GLY  92  -2.234   2.327  35.325
  688    H    TYR  93           H        TYR  93  -2.131  -0.122  35.700
  689    HA   TYR  93           HA       TYR  93   0.144  -1.003  34.195
  690    HD1  TYR  93           HD2      TYR  93  -0.145  -0.619  38.377
  691    HD2  TYR  93           HD1      TYR  93  -0.891  -4.462  36.556
  692    HE1  TYR  93           HE2      TYR  93  -1.242  -1.383  40.455
  693    HE2  TYR  93           HE1      TYR  93  -1.984  -5.239  38.643
  694    HH   TYR  93           HH       TYR  93  -2.312  -3.158  41.537
  695    HB2  TYR  93           2HB      TYR  93   0.739  -2.908  35.606
  696    HB3  TYR  93           3HB      TYR  93   1.106  -1.386  36.387
  697    H    SER  94           H        SER  94  -0.396  -3.208  33.252
  698    HA   SER  94           HA       SER  94  -3.354  -3.704  33.310
  699    HG   SER  94           HG       SER  94  -3.050  -2.054  30.322
  700    HB2  SER  94           2HB      SER  94  -1.419  -3.665  30.970
  701    HB3  SER  94           3HB      SER  94  -3.096  -4.236  30.902
  702    H    MET  95           H        MET  95  -3.597  -5.508  34.419
  703    HA   MET  95           HA       MET  95  -1.620  -7.276  35.161
  704    HB2  MET  95           2HB      MET  95  -4.630  -7.719  34.991
  705    HB3  MET  95           3HB      MET  95  -3.514  -8.749  35.896
  706    HG2  MET  95           2HG      MET  95  -2.873  -6.894  37.337
  707    HG3  MET  95           3HG      MET  95  -3.879  -5.771  36.415
  708    HE1  MET  95           3HE      MET  95  -4.071  -5.923  39.575
  709    HE2  MET  95           1HE      MET  95  -5.031  -4.849  38.529
  710    HE3  MET  95           2HE      MET  95  -5.835  -5.848  39.758
  711    H    ALA  96           H        ALA  96  -3.418  -7.405  32.141
  712    HA   ALA  96           HA       ALA  96  -3.006 -10.146  31.502
  713    HB1  ALA  96           3HB      ALA  96  -3.405  -9.405  29.175
  714    HB2  ALA  96           1HB      ALA  96  -4.596  -8.710  30.288
  715    HB3  ALA  96           2HB      ALA  96  -3.246  -7.713  29.672
  716    H    TYR  97           H        TYR  97  -0.750  -7.440  31.548
  717    HA   TYR  97           HA       TYR  97   1.295  -9.068  30.097
  718    HD1  TYR  97           HD1      TYR  97   0.407  -9.324  27.817
  719    HD2  TYR  97           HD2      TYR  97  -0.890  -5.258  28.467
  720    HE1  TYR  97           HE1      TYR  97  -1.380  -9.637  26.151
  721    HE2  TYR  97           HE2      TYR  97  -2.675  -5.557  26.769
  722    HH   TYR  97           HH       TYR  97  -3.180  -8.667  25.073
  723    HB2  TYR  97           2HB      TYR  97   0.832  -6.094  29.742
  724    HB3  TYR  97           3HB      TYR  97   1.930  -7.119  28.825
  725    H    GLY  98           H        GLY  98   0.752  -6.096  32.075
  726    HA2  GLY  98           2HA      GLY  98   2.098  -6.266  34.288
  727    HA3  GLY  98           3HA      GLY  98   3.485  -6.240  33.179
  728    HA   PRO  99           HA       PRO  99   2.211  -1.750  33.824
  729    HB2  PRO  99           2HB      PRO  99   4.667  -0.909  34.775
  730    HB3  PRO  99           3HB      PRO  99   3.317  -1.401  35.836
  731    HG2  PRO  99           2HG      PRO  99   5.712  -3.024  34.967
  732    HG3  PRO  99           3HG      PRO  99   4.962  -2.926  36.590
  733    HD2  PRO  99           2HD      PRO  99   4.485  -4.990  34.857
  734    HD3  PRO  99           3HD      PRO  99   3.226  -4.385  35.975
  735    H    ALA 100           H        ALA 100   2.549  -0.560  31.981
  736    HA   ALA 100           HA       ALA 100   4.481  -1.358  29.967
  737    HB1  ALA 100           3HB      ALA 100   2.896   1.212  30.384
  738    HB2  ALA 100           1HB      ALA 100   3.911   0.872  28.969
  739    HB3  ALA 100           2HB      ALA 100   2.485  -0.122  29.284
  740    H    GLN 101           H        GLN 101   6.419  -0.244  29.425
  741    HA   GLN 101           HA       GLN 101   7.858   1.031  31.633
  742    HB2  GLN 101           2HB      GLN 101   8.635   0.402  28.752
  743    HB3  GLN 101           3HB      GLN 101   9.699   1.173  29.941
  744    HG2  GLN 101           2HG      GLN 101   9.451  -0.816  31.433
  745    HG3  GLN 101           3HG      GLN 101   8.468  -1.609  30.202
  746   HE21  GLN 101          2HE2      GLN 101   9.513  -2.149  28.098
  747   HE22  GLN 101          1HE2      GLN 101  11.251  -2.347  28.052
  748    H    HIS 102           H        HIS 102   6.085   2.636  31.780
  749    HA   HIS 102           HA       HIS 102   5.099   4.240  29.851
  750    HD1  HIS 102           HD1      HIS 102   4.885   3.426  34.321
  751    HD2  HIS 102           HD2      HIS 102   2.461   3.976  30.945
  752    HE1  HIS 102           HE1      HIS 102   2.832   1.974  34.667
  753    HB2  HIS 102           2HB      HIS 102   5.763   5.223  32.643
  754    HB3  HIS 102           3HB      HIS 102   4.529   5.872  31.566
  755    H    ALA 103           H        ALA 103   8.312   4.778  31.346
  756    HA   ALA 103           HA       ALA 103   8.748   7.408  30.448
  757    HB1  ALA 103           3HB      ALA 103  11.140   6.870  30.660
  758    HB2  ALA 103           1HB      ALA 103  10.230   6.211  32.033
  759    HB3  ALA 103           2HB      ALA 103  10.768   5.136  30.720
  760    H    ILE 104           H        ILE 104   8.961   4.333  28.639
  761    HA   ILE 104           HA       ILE 104  10.262   5.462  26.298
  762    HB   ILE 104           HB       ILE 104   8.512   2.970  26.611
  763   HG12  ILE 104          2HG1      ILE 104  11.546   3.298  26.688
  764   HG13  ILE 104          3HG1      ILE 104  10.507   2.853  28.041
  765   HG21  ILE 104          1HG2      ILE 104  10.407   3.730  24.349
  766   HG22  ILE 104          2HG2      ILE 104   9.463   2.230  24.470
  767   HG23  ILE 104          3HG2      ILE 104   8.629   3.761  24.265
  768   HD11  ILE 104          3HD1      ILE 104  11.144   1.162  25.605
  769   HD12  ILE 104          1HD1      ILE 104  11.536   0.851  27.301
  770   HD13  ILE 104          2HD1      ILE 104   9.847   0.765  26.758
  771    H    SER 105           H        SER 105   6.865   4.644  27.223
  772    HA   SER 105           HA       SER 105   5.651   5.639  24.932
  773    HG   SER 105           HG       SER 105   4.923   3.507  25.965
  774    HB2  SER 105           2HB      SER 105   4.422   5.699  27.711
  775    HB3  SER 105           3HB      SER 105   3.605   5.471  26.155
  776    H    THR 106           H        THR 106   6.419   7.494  27.995
  777    HA   THR 106           HA       THR 106   5.013   9.782  27.066
  778    HB   THR 106           HB       THR 106   6.313  10.986  28.859
  779    HG1  THR 106           1HG      THR 106   8.191   9.794  29.027
  780   HG21  THR 106          3HG2      THR 106   5.118   9.981  30.633
  781   HG22  THR 106          1HG2      THR 106   4.126   9.691  29.199
  782   HG23  THR 106          2HG2      THR 106   5.101   8.379  29.867
  783    H    GLU 107           H        GLU 107   8.468   8.814  26.671
  784    HA   GLU 107           HA       GLU 107   9.223  11.287  25.445
  785    HB2  GLU 107           2HB      GLU 107  10.332   8.459  25.301
  786    HB3  GLU 107           3HB      GLU 107  11.078   9.808  24.446
  787    HG2  GLU 107           2HG      GLU 107  10.627   9.773  27.464
  788    HG3  GLU 107           3HG      GLU 107  12.122   9.283  26.675
  789    H    LYS 108           H        LYS 108   7.861   8.247  24.130
  790    HA   LYS 108           HA       LYS 108   8.031   9.063  21.364
  791    HB2  LYS 108           2HB      LYS 108   6.420   6.996  22.894
  792    HB3  LYS 108           3HB      LYS 108   6.103   7.307  21.175
  793    HG2  LYS 108           2HG      LYS 108   8.445   6.856  20.615
  794    HG3  LYS 108           3HG      LYS 108   8.826   6.558  22.317
  795    HD2  LYS 108           2HD      LYS 108   7.418   4.605  22.387
  796    HD3  LYS 108           3HD      LYS 108   6.752   4.921  20.776
  797    HE2  LYS 108           2HE      LYS 108   9.744   4.656  21.130
  798    HE3  LYS 108           3HE      LYS 108   8.756   3.192  21.120
  799    HZ1  LYS 108           3HZ      LYS 108   9.661   4.054  18.892
  800    HZ2  LYS 108           1HZ      LYS 108   8.111   3.537  18.952
  801    HZ3  LYS 108           2HZ      LYS 108   8.404   5.129  18.935
  802    H    ILE 109           H        ILE 109   5.349   9.373  23.776
  803    HA   ILE 109           HA       ILE 109   3.573  10.752  22.023
  804    HB   ILE 109           HB       ILE 109   3.890  10.883  25.044
  805   HG12  ILE 109          2HG1      ILE 109   1.721   9.443  23.453
  806   HG13  ILE 109          3HG1      ILE 109   3.206   8.638  23.897
  807   HG21  ILE 109          1HG2      ILE 109   2.660  12.905  24.174
  808   HG22  ILE 109          2HG2      ILE 109   1.518  11.828  23.358
  809   HG23  ILE 109          3HG2      ILE 109   1.630  11.860  25.129
  810   HD11  ILE 109          3HD1      ILE 109   2.739   9.110  26.317
  811   HD12  ILE 109          1HD1      ILE 109   1.164   9.789  25.844
  812   HD13  ILE 109          2HD1      ILE 109   1.521   8.088  25.537
  813    H    LYS 110           H        LYS 110   6.218  11.991  24.170
  814    HA   LYS 110           HA       LYS 110   5.790  14.731  23.616
  815    HB2  LYS 110           2HB      LYS 110   7.192  13.712  25.432
  816    HB3  LYS 110           3HB      LYS 110   8.416  13.298  24.228
  817    HG2  LYS 110           2HG      LYS 110   8.661  15.739  23.699
  818    HG3  LYS 110           3HG      LYS 110   7.502  16.111  24.987
  819    HD2  LYS 110           2HD      LYS 110  10.136  14.607  25.355
  820    HD3  LYS 110           3HD      LYS 110   9.919  16.335  25.664
  821    HE2  LYS 110           2HE      LYS 110   8.409  15.938  27.496
  822    HE3  LYS 110           3HE      LYS 110   8.250  14.223  27.084
  823    HZ1  LYS 110           3HZ      LYS 110   9.732  14.591  28.942
  824    HZ2  LYS 110           1HZ      LYS 110  10.508  13.844  27.689
  825    HZ3  LYS 110           2HZ      LYS 110  10.763  15.448  28.004
  826    H    ALA 111           H        ALA 111   7.820  12.312  21.850
  827    HA   ALA 111           HA       ALA 111   8.822  14.127  19.924
  828    HB1  ALA 111           3HB      ALA 111   9.338  12.116  18.613
  829    HB2  ALA 111           1HB      ALA 111   9.749  11.864  20.322
  830    HB3  ALA 111           2HB      ALA 111   8.276  11.137  19.639
  831    H    LYS 112           H        LYS 112   5.756  12.262  20.007
  832    HA   LYS 112           HA       LYS 112   4.924  13.110  17.365
  833    HB2  LYS 112           2HB      LYS 112   4.123  11.040  18.505
  834    HB3  LYS 112           3HB      LYS 112   3.344  12.008  19.739
  835    HG2  LYS 112           2HG      LYS 112   1.671  11.236  18.203
  836    HG3  LYS 112           3HG      LYS 112   1.814  12.974  17.998
  837    HD2  LYS 112           2HD      LYS 112   3.179  12.633  15.941
  838    HD3  LYS 112           3HD      LYS 112   3.172  10.889  16.227
  839    HE2  LYS 112           2HE      LYS 112   1.556  11.323  14.531
  840    HE3  LYS 112           3HE      LYS 112   0.682  10.869  15.994
  841    HZ1  LYS 112           3HZ      LYS 112  -0.318  12.761  14.877
  842    HZ2  LYS 112           1HZ      LYS 112   0.216  13.232  16.354
  843    HZ3  LYS 112           2HZ      LYS 112   1.064  13.651  15.011
  844    H    TYR 113           H        TYR 113   4.679  14.463  20.575
  845    HA   TYR 113           HA       TYR 113   3.492  16.035  21.548
  846    HD1  TYR 113           HD1      TYR 113   6.692  16.607  19.113
  847    HD2  TYR 113           HD2      TYR 113   3.339  19.252  18.547
  848    HE1  TYR 113           HE1      TYR 113   7.559  17.205  16.882
  849    HE2  TYR 113           HE2      TYR 113   4.203  19.878  16.314
  850    HH   TYR 113           HH       TYR 113   7.222  18.489  14.965
  851    HB2  TYR 113           2HB      TYR 113   3.880  18.333  20.772
  852    HB3  TYR 113           3HB      TYR 113   5.296  17.349  21.004
  853    HA   PRO 114           HA       PRO 114  -0.478  15.970  19.138
  854    HB2  PRO 114           2HB      PRO 114  -1.939  14.515  20.946
  855    HB3  PRO 114           3HB      PRO 114  -1.023  13.769  19.602
  856    HG2  PRO 114           2HG      PRO 114  -0.204  14.040  22.494
  857    HG3  PRO 114           3HG      PRO 114  -0.044  12.615  21.426
  858    HD2  PRO 114           2HD      PRO 114   2.014  14.372  21.947
  859    HD3  PRO 114           3HD      PRO 114   1.856  13.501  20.395
  860    H    ASP 115           H        ASP 115   0.761  16.448  22.383
  861    HA   ASP 115           HA       ASP 115  -0.300  19.111  22.562
  862    HB2  ASP 115           2HB      ASP 115  -2.076  17.949  23.808
  863    HB3  ASP 115           3HB      ASP 115  -0.870  17.047  24.730
  864    H    TYR 116           H        TYR 116   1.121  20.242  24.175
  865    HA   TYR 116           HA       TYR 116   3.820  19.091  23.938
  866    HD1  TYR 116           HD2      TYR 116   5.405  20.543  22.398
  867    HD2  TYR 116           HD1      TYR 116   1.667  22.630  22.924
  868    HE1  TYR 116           HE2      TYR 116   5.376  21.090  19.980
  869    HE2  TYR 116           HE1      TYR 116   1.628  23.182  20.515
  870    HH   TYR 116           HH       TYR 116   2.724  22.965  18.472
  871    HB2  TYR 116           2HB      TYR 116   2.862  21.826  24.855
  872    HB3  TYR 116           3HB      TYR 116   4.547  21.342  24.700
  873    H    GLU 117           H        GLU 117   5.103  18.545  25.550
  874    HA   GLU 117           HA       GLU 117   5.875  17.735  27.402
  875    HB2  GLU 117           2HB      GLU 117   5.511  20.001  28.349
  876    HB3  GLU 117           3HB      GLU 117   3.948  19.472  28.974
  877    HG2  GLU 117           2HG      GLU 117   5.606  19.449  30.733
  878    HG3  GLU 117           3HG      GLU 117   5.051  17.817  30.428
  879    H    VAL 118           H        VAL 118   5.633  16.050  28.883
  880    HA   VAL 118           HA       VAL 118   3.018  14.720  29.122
  881    HB   VAL 118           HB       VAL 118   5.415  13.202  28.024
  882   HG11  VAL 118          1HG1      VAL 118   3.594  11.894  29.104
  883   HG12  VAL 118          2HG1      VAL 118   2.426  12.595  27.983
  884   HG13  VAL 118          3HG1      VAL 118   3.708  11.544  27.374
  885   HG21  VAL 118          3HG2      VAL 118   4.917  14.800  26.238
  886   HG22  VAL 118          1HG2      VAL 118   4.413  13.178  25.786
  887   HG23  VAL 118          2HG2      VAL 118   3.192  14.369  26.303
  888    H    THR 119           H        THR 119   3.085  13.212  30.947
  889    HA   THR 119           HA       THR 119   5.627  12.974  32.445
  890    HB   THR 119           HB       THR 119   4.288  13.500  34.563
  891    HG1  THR 119           1HG      THR 119   2.532  14.456  32.566
  892   HG21  THR 119          3HG2      THR 119   4.705  15.869  32.704
  893   HG22  THR 119          1HG2      THR 119   4.681  15.868  34.486
  894   HG23  THR 119          2HG2      THR 119   5.983  15.044  33.620
  895    H    TRP 120           H        TRP 120   5.364  11.300  34.273
  896    HA   TRP 120           HA       TRP 120   2.995   9.678  34.059
  897    HD1  TRP 120           HD1      TRP 120   6.966   9.491  32.081
  898    HE1  TRP 120           HE1      TRP 120   9.179   8.508  32.865
  899    HE3  TRP 120           HE3      TRP 120   5.183   6.127  35.500
  900    HZ2  TRP 120           HZ2      TRP 120  10.085   6.453  34.712
  901    HZ3  TRP 120           HZ3      TRP 120   6.743   4.652  36.742
  902    HH2  TRP 120           HH2      TRP 120   9.195   4.808  36.356
  903    HB2  TRP 120           2HB      TRP 120   4.068   7.559  33.670
  904    HB3  TRP 120           3HB      TRP 120   4.409   8.624  32.332
  905    H    ALA 121           H        ALA 121   2.934   7.989  35.755
  906    HA   ALA 121           HA       ALA 121   4.791   8.186  37.996
  907    HB1  ALA 121           3HB      ALA 121   3.152  10.005  38.496
  908    HB2  ALA 121           1HB      ALA 121   1.816   8.843  38.316
  909    HB3  ALA 121           2HB      ALA 121   2.988   8.664  39.637
  910    H    ASN 122           H        ASN 122   3.816   6.549  39.752
  911    HA   ASN 122           HA       ASN 122   2.328   4.316  38.506
  912    HB2  ASN 122           2HB      ASN 122   4.746   3.832  38.146
  913    HB3  ASN 122           3HB      ASN 122   5.013   3.959  39.891
  914   HD21  ASN 122          2HD2      ASN 122   5.670   1.745  40.136
  915   HD22  ASN 122          1HD2      ASN 122   4.539   0.430  39.909
  916    H    ASP 123           H        ASP 123   1.315   6.225  40.195
  917    HA   ASP 123           HA       ASP 123   1.647   5.813  42.976
  918    HB2  ASP 123           2HB      ASP 123   0.710   7.852  42.011
  919    HB3  ASP 123           3HB      ASP 123  -0.676   6.959  41.384
  920    H    GLY 124           H        GLY 124  -0.464   4.177  40.639
  921    HA2  GLY 124           2HA      GLY 124  -0.914   1.894  42.201
  922    HA3  GLY 124           3HA      GLY 124  -2.301   2.977  42.422
  923    H    TYR 125           H        TYR 125  -3.145   0.851  41.319
  924    HA   TYR 125           HA       TYR 125  -2.926   0.491  38.485
  925    HD1  TYR 125           HD2      TYR 125  -3.547  -2.257  37.811
  926    HD2  TYR 125           HD1      TYR 125  -7.063   0.021  38.822
  927    HE1  TYR 125           HE2      TYR 125  -4.761  -3.296  35.917
  928    HE2  TYR 125           HE1      TYR 125  -8.277  -0.991  36.921
  929    HH   TYR 125           HH       TYR 125  -8.160  -2.483  35.143
  930    HB2  TYR 125           2HB      TYR 125  -3.849  -1.208  40.068
  931    HB3  TYR 125           3HB      TYR 125  -5.216  -0.150  40.387
  Start of MODEL   18
    1    HA   MET   1           HA       MET   1  -2.148  -1.204  -0.929
    2    H1   MET   1           H1       MET   1  -2.613  -1.754  -3.775
    3    H2   MET   1           H2       MET   1  -2.093  -0.334  -3.141
    4    H3   MET   1           H3       MET   1  -3.614  -0.871  -2.789
    5    HB2  MET   1           2HB      MET   1  -4.023  -2.772  -1.297
    6    HB3  MET   1           3HB      MET   1  -2.983  -3.801  -2.287
    7    HG2  MET   1           2HG      MET   1  -3.225  -4.663   0.003
    8    HG3  MET   1           3HG      MET   1  -1.547  -4.270  -0.363
    9    HE1  MET   1           3HE      MET   1  -2.473  -4.880   2.568
   10    HE2  MET   1           1HE      MET   1  -0.821  -4.385   2.148
   11    HE3  MET   1           2HE      MET   1  -1.679  -3.576   3.467
   12    H    ALA   2           H        ALA   2  -0.127  -1.798  -0.129
   13    HA   ALA   2           HA       ALA   2   1.696  -3.412  -1.689
   14    HB1  ALA   2           3HB      ALA   2   2.394  -0.542  -0.896
   15    HB2  ALA   2           1HB      ALA   2   3.525  -1.740  -1.538
   16    HB3  ALA   2           2HB      ALA   2   2.211  -1.139  -2.569
   17    H    VAL   3           H        VAL   3   3.579  -3.960  -0.270
   18    HA   VAL   3           HA       VAL   3   2.730  -4.576   2.400
   19    HB   VAL   3           HB       VAL   3   4.973  -5.478   2.658
   20   HG11  VAL   3          1HG1      VAL   3   4.895  -7.191   0.931
   21   HG12  VAL   3          2HG1      VAL   3   3.256  -6.794   1.454
   22   HG13  VAL   3          3HG1      VAL   3   3.857  -6.179  -0.105
   23   HG21  VAL   3          3HG2      VAL   3   6.341  -3.820   1.447
   24   HG22  VAL   3          1HG2      VAL   3   6.651  -5.453   0.863
   25   HG23  VAL   3          2HG2      VAL   3   5.651  -4.345  -0.105
   26    H    ALA   4           H        ALA   4   3.485  -3.774   4.387
   27    HA   ALA   4           HA       ALA   4   3.934  -0.898   4.351
   28    HB1  ALA   4           3HB      ALA   4   2.352  -2.011   5.914
   29    HB2  ALA   4           1HB      ALA   4   3.731  -2.840   6.686
   30    HB3  ALA   4           2HB      ALA   4   3.582  -1.072   6.773
   31    H    ASP   5           H        ASP   5   5.436  -0.172   6.277
   32    HA   ASP   5           HA       ASP   5   7.890  -1.674   6.664
   33    HB2  ASP   5           2HB      ASP   5   8.439  -0.382   4.611
   34    HB3  ASP   5           3HB      ASP   5   7.949   1.109   5.421
   35    H    LEU   6           H        LEU   6   8.964  -0.780   8.591
   36    HA   LEU   6           HA       LEU   6   7.063   0.113  10.546
   37    HG   LEU   6           HG       LEU   6   8.504  -2.238  10.721
   38    HB2  LEU   6           2HB      LEU   6  10.078  -0.201  10.520
   39    HB3  LEU   6           3HB      LEU   6   9.259   0.455  11.936
   40   HD11  LEU   6          1HD1      LEU   6   9.827  -3.233  12.581
   41   HD12  LEU   6          2HD1      LEU   6  10.833  -2.353  11.431
   42   HD13  LEU   6          3HD1      LEU   6  10.452  -1.612  12.987
   43   HD21  LEU   6          3HD2      LEU   6   7.533  -2.634  12.990
   44   HD22  LEU   6          1HD2      LEU   6   7.917  -0.962  13.423
   45   HD23  LEU   6          2HD2      LEU   6   6.741  -1.305  12.142
   46    H    ALA   7           H        ALA   7   9.111   1.986   8.358
   47    HA   ALA   7           HA       ALA   7   8.984   4.447   9.854
   48    HB1  ALA   7           3HB      ALA   7   9.546   5.475   7.691
   49    HB2  ALA   7           1HB      ALA   7  10.558   4.036   7.967
   50    HB3  ALA   7           2HB      ALA   7   9.185   3.955   6.847
   51    H    LEU   8           H        LEU   8   6.701   2.750   7.703
   52    HA   LEU   8           HA       LEU   8   5.013   5.126   7.300
   53    HG   LEU   8           HG       LEU   8   6.395   3.013   5.315
   54    HB2  LEU   8           2HB      LEU   8   4.501   2.170   6.693
   55    HB3  LEU   8           3HB      LEU   8   3.506   3.519   6.162
   56   HD11  LEU   8          1HD1      LEU   8   5.419   2.461   3.128
   57   HD12  LEU   8          2HD1      LEU   8   4.813   1.381   4.376
   58   HD13  LEU   8          3HD1      LEU   8   3.779   2.695   3.775
   59   HD21  LEU   8          3HD2      LEU   8   4.412   5.151   4.399
   60   HD22  LEU   8          1HD2      LEU   8   5.941   5.423   5.272
   61   HD23  LEU   8          2HD2      LEU   8   5.976   4.793   3.625
   62    H    ILE   9           H        ILE   9   5.138   2.280   9.390
   63    HA   ILE   9           HA       ILE   9   2.484   2.479  10.425
   64    HB   ILE   9           HB       ILE   9   5.043   1.142  11.358
   65   HG12  ILE   9          2HG1      ILE   9   2.383  -0.065  10.472
   66   HG13  ILE   9          3HG1      ILE   9   3.616   0.392   9.308
   67   HG21  ILE   9          1HG2      ILE   9   3.679  -0.080  13.078
   68   HG22  ILE   9          2HG2      ILE   9   3.864   1.633  13.446
   69   HG23  ILE   9          3HG2      ILE   9   2.337   1.036  12.757
   70   HD11  ILE   9          3HD1      ILE   9   5.208  -1.178  10.220
   71   HD12  ILE   9          1HD1      ILE   9   4.077  -1.642  11.512
   72   HD13  ILE   9          2HD1      ILE   9   3.691  -1.996   9.820
   73    HA   PRO  10           HA       PRO  10   3.297   6.263  12.642
   74    HB2  PRO  10           2HB      PRO  10   1.033   6.435  14.236
   75    HB3  PRO  10           3HB      PRO  10   1.070   6.816  12.486
   76    HG2  PRO  10           2HG      PRO  10   0.201   4.243  13.820
   77    HG3  PRO  10           3HG      PRO  10  -0.609   5.138  12.498
   78    HD2  PRO  10           2HD      PRO  10   0.978   2.979  12.014
   79    HD3  PRO  10           3HD      PRO  10   0.957   4.376  10.897
   80    H    ASP  11           H        ASP  11   4.337   6.779  14.546
   81    HA   ASP  11           HA       ASP  11   5.286   4.567  16.111
   82    HB2  ASP  11           2HB      ASP  11   6.596   6.579  15.305
   83    HB3  ASP  11           3HB      ASP  11   5.766   7.541  16.542
   84    H    VAL  12           H        VAL  12   2.963   7.161  16.660
   85    HA   VAL  12           HA       VAL  12   2.104   6.009  19.235
   86    HB   VAL  12           HB       VAL  12   2.676   8.948  18.663
   87   HG11  VAL  12          1HG1      VAL  12   0.701   8.682  20.112
   88   HG12  VAL  12          2HG1      VAL  12   1.623   7.648  21.219
   89   HG13  VAL  12          3HG1      VAL  12   2.051   9.366  21.012
   90   HG21  VAL  12          3HG2      VAL  12   4.785   7.837  19.109
   91   HG22  VAL  12          1HG2      VAL  12   4.327   8.790  20.510
   92   HG23  VAL  12          2HG2      VAL  12   4.107   7.024  20.531
   93    H    ASP  13           H        ASP  13  -0.166   5.943  19.234
   94    HA   ASP  13           HA       ASP  13  -1.702   7.831  17.622
   95    HB2  ASP  13           2HB      ASP  13  -1.403   6.081  15.947
   96    HB3  ASP  13           3HB      ASP  13  -1.915   4.846  17.097
   97    H    ILE  14           H        ILE  14  -2.799   8.594  19.314
   98    HA   ILE  14           HA       ILE  14  -3.995   6.748  21.290
   99    HB   ILE  14           HB       ILE  14  -3.222   8.236  23.092
  100   HG12  ILE  14          2HG1      ILE  14  -1.263   9.474  21.125
  101   HG13  ILE  14          3HG1      ILE  14  -2.756  10.268  21.597
  102   HG21  ILE  14          1HG2      ILE  14  -0.972   7.310  23.243
  103   HG22  ILE  14          2HG2      ILE  14  -2.069   6.117  22.530
  104   HG23  ILE  14          3HG2      ILE  14  -0.936   7.010  21.495
  105   HD11  ILE  14          3HD1      ILE  14  -0.486   9.521  23.478
  106   HD12  ILE  14          1HD1      ILE  14  -0.975  11.143  22.959
  107   HD13  ILE  14          2HD1      ILE  14  -2.052  10.190  23.990
  108    H    ASP  15           H        ASP  15  -5.380   7.727  19.184
  109    HA   ASP  15           HA       ASP  15  -6.623  10.249  19.516
  110    HB2  ASP  15           2HB      ASP  15  -6.517   9.167  17.371
  111    HB3  ASP  15           3HB      ASP  15  -7.454   7.792  17.959
  112    H    SER  16           H        SER  16  -7.146  10.263  21.771
  113    HA   SER  16           HA       SER  16  -9.945   9.871  22.216
  114    HG   SER  16           HG       SER  16  -9.317   7.587  21.844
  115    HB2  SER  16           2HB      SER  16  -7.887   8.182  23.700
  116    HB3  SER  16           3HB      SER  16  -9.437   8.613  24.450
  117    H    ASP  17           H        ASP  17 -10.327  10.692  24.637
  118    HA   ASP  17           HA       ASP  17  -8.410  12.747  25.499
  119    HB2  ASP  17           2HB      ASP  17  -9.824  13.890  23.810
  120    HB3  ASP  17           3HB      ASP  17 -11.282  13.353  24.655
  121    H    GLY  18           H        GLY  18  -8.977  13.454  27.709
  122    HA2  GLY  18           2HA      GLY  18  -9.798  13.083  29.853
  123    HA3  GLY  18           3HA      GLY  18 -10.941  11.877  29.230
  124    H    VAL  19           H        VAL  19 -10.097  10.500  31.086
  125    HA   VAL  19           HA       VAL  19  -7.435   9.331  30.778
  126    HB   VAL  19           HB       VAL  19  -9.842   8.327  32.353
  127   HG11  VAL  19          1HG1      VAL  19  -8.180   6.570  31.995
  128   HG12  VAL  19          2HG1      VAL  19  -6.874   7.664  32.495
  129   HG13  VAL  19          3HG1      VAL  19  -8.089   7.109  33.682
  130   HG21  VAL  19          3HG2      VAL  19  -9.261  10.549  33.208
  131   HG22  VAL  19          1HG2      VAL  19  -8.728   9.315  34.348
  132   HG23  VAL  19          2HG2      VAL  19  -7.545  10.092  33.283
  133    H    PHE  20           H        PHE  20  -6.975   7.489  29.512
  134    HA   PHE  20           HA       PHE  20  -9.160   5.721  28.727
  135    HD1  PHE  20           HD2      PHE  20  -6.232   5.666  25.573
  136    HD2  PHE  20           HD1      PHE  20  -7.961   9.349  27.000
  137    HE1  PHE  20           HE2      PHE  20  -4.392   6.934  24.521
  138    HE2  PHE  20           HE1      PHE  20  -6.115  10.621  25.949
  139    HZ   PHE  20           HZ       PHE  20  -4.335   9.435  24.712
  140    HB2  PHE  20           2HB      PHE  20  -8.588   5.784  26.336
  141    HB3  PHE  20           3HB      PHE  20  -9.254   7.297  26.935
  142    H    LYS  21           H        LYS  21  -8.463   3.676  28.053
  143    HA   LYS  21           HA       LYS  21  -6.089   2.681  29.355
  144    HB2  LYS  21           2HB      LYS  21  -8.004   1.479  27.297
  145    HB3  LYS  21           3HB      LYS  21  -6.794   0.543  28.175
  146    HG2  LYS  21           2HG      LYS  21  -7.902   0.872  30.289
  147    HG3  LYS  21           3HG      LYS  21  -8.938   2.145  29.634
  148    HD2  LYS  21           2HD      LYS  21  -9.962   0.435  28.083
  149    HD3  LYS  21           3HD      LYS  21  -9.116  -0.825  29.009
  150    HE2  LYS  21           2HE      LYS  21 -10.305  -0.194  31.049
  151    HE3  LYS  21           3HE      LYS  21 -10.886   1.293  30.291
  152    HZ1  LYS  21           3HZ      LYS  21 -12.167  -0.177  28.720
  153    HZ2  LYS  21           1HZ      LYS  21 -11.847  -1.457  29.643
  154    HZ3  LYS  21           2HZ      LYS  21 -12.678  -0.197  30.270
  155    H    TYR  22           H        TYR  22  -4.099   1.970  28.416
  156    HA   TYR  22           HA       TYR  22  -3.768   2.216  25.527
  157    HD1  TYR  22           HD2      TYR  22  -1.631   3.595  29.084
  158    HD2  TYR  22           HD1      TYR  22  -0.149   3.253  25.071
  159    HE1  TYR  22           HE2      TYR  22   0.619   3.194  29.980
  160    HE2  TYR  22           HE1      TYR  22   2.155   2.898  25.944
  161    HH   TYR  22           HH       TYR  22   2.833   2.798  29.453
  162    HB2  TYR  22           2HB      TYR  22  -2.409   3.990  25.489
  163    HB3  TYR  22           3HB      TYR  22  -2.980   4.376  27.090
  164    H    VAL  23           H        VAL  23  -1.727   1.230  24.799
  165    HA   VAL  23           HA       VAL  23  -0.492  -0.674  26.660
  166    HB   VAL  23           HB       VAL  23  -2.371  -1.890  25.723
  167   HG11  VAL  23          1HG1      VAL  23  -1.261  -1.244  22.970
  168   HG12  VAL  23          2HG1      VAL  23  -2.599  -2.358  23.327
  169   HG13  VAL  23          3HG1      VAL  23  -2.771  -0.633  23.665
  170   HG21  VAL  23          3HG2      VAL  23   0.241  -2.828  24.487
  171   HG22  VAL  23          1HG2      VAL  23  -0.358  -3.191  26.103
  172   HG23  VAL  23          2HG2      VAL  23  -1.225  -3.805  24.686
  173    H    LEU  24           H        LEU  24   1.592  -1.261  26.036
  174    HA   LEU  24           HA       LEU  24   2.871   0.409  23.914
  175    HG   LEU  24           HG       LEU  24   4.935   1.642  24.827
  176    HB2  LEU  24           2HB      LEU  24   3.475   0.649  26.450
  177    HB3  LEU  24           3HB      LEU  24   4.212  -0.939  26.293
  178   HD11  LEU  24          1HD1      LEU  24   7.030   1.446  26.078
  179   HD12  LEU  24          2HD1      LEU  24   5.666   1.440  27.191
  180   HD13  LEU  24          3HD1      LEU  24   6.506  -0.080  26.802
  181   HD21  LEU  24          3HD2      LEU  24   6.958   0.316  23.985
  182   HD22  LEU  24          1HD2      LEU  24   6.055  -1.153  24.387
  183   HD23  LEU  24          2HD2      LEU  24   5.423  -0.004  23.177
  184    H    ILE  25           H        ILE  25   3.524  -0.860  22.166
  185    HA   ILE  25           HA       ILE  25   3.600  -3.831  22.557
  186    HB   ILE  25           HB       ILE  25   2.325  -2.285  20.264
  187   HG12  ILE  25          2HG1      ILE  25   0.975  -3.932  22.452
  188   HG13  ILE  25          3HG1      ILE  25   0.927  -2.172  22.312
  189   HG21  ILE  25          1HG2      ILE  25   2.358  -5.286  20.806
  190   HG22  ILE  25          2HG2      ILE  25   1.613  -4.467  19.409
  191   HG23  ILE  25          3HG2      ILE  25   3.346  -4.452  19.583
  192   HD11  ILE  25          3HD1      ILE  25  -0.261  -2.346  20.162
  193   HD12  ILE  25          1HD1      ILE  25  -0.328  -4.115  20.336
  194   HD13  ILE  25          2HD1      ILE  25  -1.154  -3.092  21.500
  195    H    ARG  26           H        ARG  26   5.353  -4.807  21.626
  196    HA   ARG  26           HA       ARG  26   7.258  -3.135  20.060
  197    HE   ARG  26           HE       ARG  26  10.663  -6.102  22.267
  198    HB2  ARG  26           2HB      ARG  26   8.015  -4.763  21.918
  199    HB3  ARG  26           3HB      ARG  26   7.509  -6.065  20.836
  200    HG2  ARG  26           2HG      ARG  26   9.101  -4.705  19.113
  201    HG3  ARG  26           3HG      ARG  26   9.811  -4.113  20.614
  202    HD2  ARG  26           2HD      ARG  26   9.537  -6.961  19.629
  203    HD3  ARG  26           3HD      ARG  26  11.040  -6.052  19.820
  204   HH11  ARG  26          1HH2      ARG  26   9.216  -8.759  20.290
  205   HH12  ARG  26          2HH2      ARG  26   8.740  -9.668  21.661
  206   HH21  ARG  26          1HH1      ARG  26  10.119  -7.485  24.086
  207   HH22  ARG  26          2HH1      ARG  26   9.146  -8.900  23.798
  208    H    VAL  27           H        VAL  27   7.427  -3.496  17.828
  209    HA   VAL  27           HA       VAL  27   5.708  -5.619  16.657
  210    HB   VAL  27           HB       VAL  27   5.793  -3.983  14.606
  211   HG11  VAL  27          1HG1      VAL  27   3.659  -2.969  15.321
  212   HG12  VAL  27          2HG1      VAL  27   3.768  -4.700  15.670
  213   HG13  VAL  27          3HG1      VAL  27   3.956  -3.517  16.989
  214   HG21  VAL  27          3HG2      VAL  27   7.272  -2.272  15.651
  215   HG22  VAL  27          1HG2      VAL  27   5.716  -1.614  15.105
  216   HG23  VAL  27          2HG2      VAL  27   5.995  -1.904  16.829
  217    H    HIS  28           H        HIS  28   6.655  -6.882  15.117
  218    HA   HIS  28           HA       HIS  28   9.549  -6.441  14.472
  219    HD1  HIS  28           HD1      HIS  28  11.300  -7.721  16.188
  220    HD2  HIS  28           HD2      HIS  28   7.730  -9.679  17.231
  221    HE1  HIS  28           HE1      HIS  28  11.580  -8.504  18.612
  222    HB2  HIS  28           2HB      HIS  28   7.946  -9.030  14.718
  223    HB3  HIS  28           3HB      HIS  28   9.608  -8.902  14.158
  224    H    SER  29           H        SER  29   9.857  -6.143  12.270
  225    HA   SER  29           HA       SER  29   7.495  -6.053  10.580
  226    HG   SER  29           HG       SER  29  11.024  -5.423  10.912
  227    HB2  SER  29           2HB      SER  29   9.044  -5.240   8.849
  228    HB3  SER  29           3HB      SER  29   9.121  -4.310  10.348
  229    H    ALA  30           H        ALA  30   6.987  -7.276   8.854
  230    HA   ALA  30           HA       ALA  30   8.730  -9.215   7.682
  231    HB1  ALA  30           3HB      ALA  30   7.182 -11.139   7.968
  232    HB2  ALA  30           1HB      ALA  30   7.927 -10.638   9.501
  233    HB3  ALA  30           2HB      ALA  30   6.238 -10.197   9.144
  234    HA   PRO  31           HA       PRO  31   5.686  -6.435   5.404
  235    HB2  PRO  31           2HB      PRO  31   7.900  -6.710   3.378
  236    HB3  PRO  31           3HB      PRO  31   6.945  -5.263   3.813
  237    HG2  PRO  31           2HG      PRO  31   9.460  -5.571   4.753
  238    HG3  PRO  31           3HG      PRO  31   8.162  -4.936   5.813
  239    HD2  PRO  31           2HD      PRO  31   9.319  -7.724   5.737
  240    HD3  PRO  31           3HD      PRO  31   8.847  -6.718   7.125
  241    H    ARG  32           H        ARG  32   7.480  -9.277   4.245
  242    HA   ARG  32           HA       ARG  32   5.048 -10.547   3.362
  243    HE   ARG  32           HE       ARG  32   4.549 -12.791  -0.996
  244    HB2  ARG  32           2HB      ARG  32   5.983  -9.321   1.301
  245    HB3  ARG  32           3HB      ARG  32   7.410 -10.358   1.413
  246    HG2  ARG  32           2HG      ARG  32   5.998 -12.353   1.030
  247    HG3  ARG  32           3HG      ARG  32   4.539 -11.334   1.043
  248    HD2  ARG  32           2HD      ARG  32   5.384 -10.110  -0.937
  249    HD3  ARG  32           3HD      ARG  32   6.848 -11.120  -0.939
  250   HH11  ARG  32          1HH2      ARG  32   6.304 -10.547  -3.115
  251   HH12  ARG  32          2HH2      ARG  32   5.803 -11.301  -4.585
  252   HH21  ARG  32          1HH1      ARG  32   3.887 -13.826  -2.965
  253   HH22  ARG  32          2HH1      ARG  32   4.399 -13.212  -4.486
  254    H    SER  33           H        SER  33   5.571 -12.959   3.198
  255    HA   SER  33           HA       SER  33   6.890 -13.854   5.365
  256    HG   SER  33           HG       SER  33   4.359 -15.735   3.636
  257    HB2  SER  33           2HB      SER  33   6.534 -15.481   2.826
  258    HB3  SER  33           3HB      SER  33   6.442 -16.048   4.507
  259    H    GLY  34           H        GLY  34   8.505 -13.113   2.334
  260    HA2  GLY  34           2HA      GLY  34  11.078 -14.036   3.503
  261    HA3  GLY  34           3HA      GLY  34  10.669 -14.390   1.818
  262    H    ALA  35           H        ALA  35   9.719 -11.331   3.386
  263    HA   ALA  35           HA       ALA  35  11.048  -9.752   1.352
  264    HB1  ALA  35           3HB      ALA  35   9.747  -9.038   4.009
  265    HB2  ALA  35           1HB      ALA  35  10.351  -7.839   2.853
  266    HB3  ALA  35           2HB      ALA  35   9.014  -8.910   2.393
  267    HA   PRO  36           HA       PRO  36  14.989  -9.565   3.381
  268    HB2  PRO  36           2HB      PRO  36  16.219  -7.508   2.095
  269    HB3  PRO  36           3HB      PRO  36  15.642  -8.952   1.222
  270    HG2  PRO  36           2HG      PRO  36  14.176  -6.308   1.556
  271    HG3  PRO  36           3HG      PRO  36  14.541  -7.180   0.028
  272    HD2  PRO  36           2HD      PRO  36  12.154  -7.467   1.325
  273    HD3  PRO  36           3HD      PRO  36  12.933  -8.835   0.473
  274    H    ALA  37           H        ALA  37  13.012  -8.599   5.160
  275    HA   ALA  37           HA       ALA  37  14.448  -6.470   6.603
  276    HB1  ALA  37           3HB      ALA  37  12.885  -5.192   5.190
  277    HB2  ALA  37           1HB      ALA  37  11.533  -6.223   5.736
  278    HB3  ALA  37           2HB      ALA  37  12.361  -5.150   6.882
  279    H    ALA  38           H        ALA  38  14.330  -6.848   8.731
  280    HA   ALA  38           HA       ALA  38  12.129  -8.305   9.987
  281    HB1  ALA  38           3HB      ALA  38  13.660 -10.128   9.261
  282    HB2  ALA  38           1HB      ALA  38  15.007  -9.341  10.126
  283    HB3  ALA  38           2HB      ALA  38  13.614  -9.980  11.025
  284    H    GLU  39           H        GLU  39  13.171  -5.574   9.988
  285    HA   GLU  39           HA       GLU  39  14.666  -5.076  12.454
  286    HB2  GLU  39           2HB      GLU  39  13.144  -3.258  10.530
  287    HB3  GLU  39           3HB      GLU  39  14.042  -2.696  11.949
  288    HG2  GLU  39           2HG      GLU  39  16.123  -3.713  11.013
  289    HG3  GLU  39           3HG      GLU  39  15.237  -4.163   9.560
  290    H    SER  40           H        SER  40  13.527  -3.526  14.118
  291    HA   SER  40           HA       SER  40  10.694  -4.286  14.536
  292    HG   SER  40           HG       SER  40  13.154  -6.183  15.137
  293    HB2  SER  40           2HB      SER  40  12.820  -4.549  16.698
  294    HB3  SER  40           3HB      SER  40  11.119  -5.033  16.784
  295    H    LYS  41           H        LYS  41   9.704  -2.945  16.274
  296    HA   LYS  41           HA       LYS  41  11.061  -0.459  17.006
  297    HB2  LYS  41           2HB      LYS  41   9.899  -0.181  14.667
  298    HB3  LYS  41           3HB      LYS  41   8.373  -0.258  15.564
  299    HG2  LYS  41           2HG      LYS  41   9.018   1.755  16.838
  300    HG3  LYS  41           3HG      LYS  41  10.619   1.718  16.097
  301    HD2  LYS  41           2HD      LYS  41   9.405   3.432  15.037
  302    HD3  LYS  41           3HD      LYS  41   9.550   2.123  13.859
  303    HE2  LYS  41           2HE      LYS  41   7.206   1.470  14.274
  304    HE3  LYS  41           3HE      LYS  41   7.092   2.670  15.591
  305    HZ1  LYS  41           3HZ      LYS  41   7.463   4.394  13.930
  306    HZ2  LYS  41           1HZ      LYS  41   7.490   3.276  12.726
  307    HZ3  LYS  41           2HZ      LYS  41   6.126   3.530  13.491
  308    H    GLU  42           H        GLU  42   9.435   0.798  18.539
  309    HA   GLU  42           HA       GLU  42   7.494  -1.052  19.840
  310    HB2  GLU  42           2HB      GLU  42   9.473   0.893  21.091
  311    HB3  GLU  42           3HB      GLU  42   8.045   0.282  21.938
  312    HG2  GLU  42           2HG      GLU  42   8.829  -1.992  21.848
  313    HG3  GLU  42           3HG      GLU  42  10.118  -1.586  20.722
  314    H    ILE  43           H        ILE  43   5.513  -0.054  20.254
  315    HA   ILE  43           HA       ILE  43   5.168   2.726  19.286
  316    HB   ILE  43           HB       ILE  43   3.151   1.960  18.053
  317   HG12  ILE  43          2HG1      ILE  43   4.259  -0.866  18.288
  318   HG13  ILE  43          3HG1      ILE  43   2.896  -0.262  19.230
  319   HG21  ILE  43          1HG2      ILE  43   5.706   0.701  16.984
  320   HG22  ILE  43          2HG2      ILE  43   4.336   1.343  16.048
  321   HG23  ILE  43          3HG2      ILE  43   5.362   2.441  16.986
  322   HD11  ILE  43          3HD1      ILE  43   2.107  -1.559  17.338
  323   HD12  ILE  43          1HD1      ILE  43   1.616   0.132  17.161
  324   HD13  ILE  43          2HD1      ILE  43   2.969  -0.514  16.197
  325    H    VAL  44           H        VAL  44   3.296   3.762  19.993
  326    HA   VAL  44           HA       VAL  44   2.179   2.667  22.562
  327    HB   VAL  44           HB       VAL  44   2.535   5.531  21.569
  328   HG11  VAL  44          1HG1      VAL  44   1.781   4.585  24.356
  329   HG12  VAL  44          2HG1      VAL  44   1.936   6.255  23.794
  330   HG13  VAL  44          3HG1      VAL  44   0.628   5.246  23.181
  331   HG21  VAL  44          3HG2      VAL  44   4.273   5.774  23.305
  332   HG22  VAL  44          1HG2      VAL  44   4.142   4.038  23.684
  333   HG23  VAL  44          2HG2      VAL  44   4.739   4.568  22.098
  334    H    ARG  45           H        ARG  45  -0.011   2.278  22.562
  335    HA   ARG  45           HA       ARG  45  -1.755   3.451  20.425
  336    HE   ARG  45           HE       ARG  45  -0.404   3.258  18.780
  337    HB2  ARG  45           2HB      ARG  45  -1.728   0.578  21.449
  338    HB3  ARG  45           3HB      ARG  45  -2.870   1.236  20.293
  339    HG2  ARG  45           2HG      ARG  45   0.124   0.901  19.753
  340    HG3  ARG  45           3HG      ARG  45  -1.100  -0.280  19.391
  341    HD2  ARG  45           2HD      ARG  45  -0.945   0.710  17.350
  342    HD3  ARG  45           3HD      ARG  45  -2.269   1.671  18.025
  343   HH11  ARG  45          1HH2      ARG  45  -0.270   1.612  15.599
  344   HH12  ARG  45          2HH2      ARG  45   1.181   2.466  15.150
  345   HH21  ARG  45          1HH1      ARG  45   1.445   4.267  18.124
  346   HH22  ARG  45          2HH1      ARG  45   2.113   4.036  16.515
  347    H    GLY  46           H        GLY  46  -3.881   4.031  21.321
  348    HA2  GLY  46           2HA      GLY  46  -4.846   2.665  23.620
  349    HA3  GLY  46           3HA      GLY  46  -4.173   4.225  24.124
  350    H    TYR  47           H        TYR  47  -7.014   2.913  23.675
  351    HA   TYR  47           HA       TYR  47  -8.218   5.376  22.592
  352    HD1  TYR  47           HD1      TYR  47  -7.883   5.542  19.504
  353    HD2  TYR  47           HD2      TYR  47  -7.075   1.550  20.959
  354    HE1  TYR  47           HE1      TYR  47  -6.078   5.292  17.817
  355    HE2  TYR  47           HE2      TYR  47  -5.257   1.313  19.266
  356    HH   TYR  47           HH       TYR  47  -4.455   3.868  16.906
  357    HB2  TYR  47           2HB      TYR  47  -9.100   2.677  21.574
  358    HB3  TYR  47           3HB      TYR  47  -9.522   4.275  20.962
  359    H    LYS  48           H        LYS  48 -10.158   5.824  23.583
  360    HA   LYS  48           HA       LYS  48 -10.685   4.439  26.010
  361    HB2  LYS  48           2HB      LYS  48 -12.315   6.109  26.460
  362    HB3  LYS  48           3HB      LYS  48 -10.938   6.864  25.666
  363    HG2  LYS  48           2HG      LYS  48 -12.284   6.731  23.478
  364    HG3  LYS  48           3HG      LYS  48 -13.682   6.347  24.490
  365    HD2  LYS  48           2HD      LYS  48 -11.926   8.841  24.662
  366    HD3  LYS  48           3HD      LYS  48 -13.552   8.763  23.970
  367    HE2  LYS  48           2HE      LYS  48 -14.526   8.256  26.157
  368    HE3  LYS  48           3HE      LYS  48 -12.918   8.118  26.890
  369    HZ1  LYS  48           3HZ      LYS  48 -12.553  10.451  26.547
  370    HZ2  LYS  48           1HZ      LYS  48 -13.969  10.625  25.739
  371    HZ3  LYS  48           2HZ      LYS  48 -13.956  10.250  27.348
  372    H    TRP  49           H        TRP  49 -12.002   3.710  22.873
  373    HA   TRP  49           HA       TRP  49 -14.487   2.622  23.858
  374    HD1  TRP  49           HD1      TRP  49 -12.804   4.168  19.938
  375    HE1  TRP  49           HE1      TRP  49 -10.700   3.438  18.711
  376    HE3  TRP  49           HE3      TRP  49 -12.377  -0.616  21.809
  377    HZ2  TRP  49           HZ2      TRP  49  -8.873   1.194  18.770
  378    HZ3  TRP  49           HZ3      TRP  49 -10.339  -1.918  21.366
  379    HH2  TRP  49           HH2      TRP  49  -8.541  -1.008  19.910
  380    HB2  TRP  49           2HB      TRP  49 -14.540   1.460  21.638
  381    HB3  TRP  49           3HB      TRP  49 -14.441   3.205  21.588
  382    H    ALA  50           H        ALA  50 -11.197   1.475  24.109
  383    HA   ALA  50           HA       ALA  50 -11.544  -1.252  23.752
  384    HB1  ALA  50           3HB      ALA  50  -9.668   0.187  25.672
  385    HB2  ALA  50           1HB      ALA  50  -9.500  -1.481  25.078
  386    HB3  ALA  50           2HB      ALA  50  -9.389  -0.128  23.942
  387    H    GLU  51           H        GLU  51 -12.647  -2.788  24.749
  388    HA   GLU  51           HA       GLU  51 -14.112  -2.397  27.158
  389    HB2  GLU  51           2HB      GLU  51 -14.628  -4.022  25.334
  390    HB3  GLU  51           3HB      GLU  51 -13.253  -5.015  25.852
  391    HG2  GLU  51           2HG      GLU  51 -14.326  -5.324  28.068
  392    HG3  GLU  51           3HG      GLU  51 -15.645  -4.272  27.592
  393    H    TYR  52           H        TYR  52 -11.007  -3.953  26.481
  394    HA   TYR  52           HA       TYR  52  -9.979  -3.423  29.166
  395    HD1  TYR  52           HD1      TYR  52 -10.192  -4.887  31.446
  396    HD2  TYR  52           HD2      TYR  52 -12.205  -7.059  28.295
  397    HE1  TYR  52           HE1      TYR  52 -12.010  -5.482  33.014
  398    HE2  TYR  52           HE2      TYR  52 -14.006  -7.657  29.855
  399    HH   TYR  52           HH       TYR  52 -14.028  -6.598  33.281
  400    HB2  TYR  52           2HB      TYR  52  -9.977  -6.217  27.936
  401    HB3  TYR  52           3HB      TYR  52  -8.999  -5.735  29.311
  402    H    HIS  53           H        HIS  53  -7.465  -3.817  29.027
  403    HA   HIS  53           HA       HIS  53  -6.446  -2.446  26.824
  404    HD2  HIS  53           HD2      HIS  53  -4.423  -0.639  28.422
  405    HE1  HIS  53           HE1      HIS  53  -6.047  -1.375  32.287
  406    HE2  HIS  53           HE2      HIS  53  -4.882   0.359  30.769
  407    HB2  HIS  53           2HB      HIS  53  -5.006  -4.423  28.643
  408    HB3  HIS  53           3HB      HIS  53  -4.236  -3.185  27.644
  409    H    ALA  54           H        ALA  54  -6.816  -5.961  27.214
  410    HA   ALA  54           HA       ALA  54  -5.288  -6.781  24.980
  411    HB1  ALA  54           3HB      ALA  54  -6.596  -8.854  25.132
  412    HB2  ALA  54           1HB      ALA  54  -6.083  -8.315  26.741
  413    HB3  ALA  54           2HB      ALA  54  -7.769  -8.064  26.204
  414    H    ASP  55           H        ASP  55  -8.451  -5.197  25.077
  415    HA   ASP  55           HA       ASP  55  -9.436  -6.076  22.516
  416    HB2  ASP  55           2HB      ASP  55 -10.672  -4.932  24.499
  417    HB3  ASP  55           3HB      ASP  55  -9.981  -3.431  23.896
  418    H    ILE  56           H        ILE  56  -7.287  -3.461  23.668
  419    HA   ILE  56           HA       ILE  56  -7.071  -2.107  21.131
  420    HB   ILE  56           HB       ILE  56  -4.976  -2.145  23.345
  421   HG12  ILE  56          2HG1      ILE  56  -7.184  -0.072  23.132
  422   HG13  ILE  56          3HG1      ILE  56  -7.299  -1.477  24.200
  423   HG21  ILE  56          1HG2      ILE  56  -5.632  -0.235  21.067
  424   HG22  ILE  56          2HG2      ILE  56  -4.482   0.165  22.350
  425   HG23  ILE  56          3HG2      ILE  56  -4.158  -1.196  21.269
  426   HD11  ILE  56          3HD1      ILE  56  -5.265  -0.821  25.398
  427   HD12  ILE  56          1HD1      ILE  56  -5.140   0.639  24.401
  428   HD13  ILE  56          2HD1      ILE  56  -6.532   0.419  25.471
  429    H    TYR  57           H        TYR  57  -5.039  -4.526  22.869
  430    HA   TYR  57           HA       TYR  57  -3.081  -4.809  20.835
  431    HD1  TYR  57           HD1      TYR  57  -0.590  -6.028  21.717
  432    HD2  TYR  57           HD2      TYR  57  -3.811  -8.909  21.795
  433    HE1  TYR  57           HE1      TYR  57   0.932  -7.748  20.766
  434    HE2  TYR  57           HE2      TYR  57  -2.289 -10.621  20.834
  435    HH   TYR  57           HH       TYR  57   1.149 -10.012  19.997
  436    HB2  TYR  57           2HB      TYR  57  -2.703  -5.656  23.071
  437    HB3  TYR  57           3HB      TYR  57  -4.050  -6.783  22.924
  438    H    ASP  58           H        ASP  58  -6.254  -6.504  21.214
  439    HA   ASP  58           HA       ASP  58  -5.895  -8.363  19.129
  440    HB2  ASP  58           2HB      ASP  58  -7.687  -8.546  20.759
  441    HB3  ASP  58           3HB      ASP  58  -8.435  -7.064  20.163
  442    H    LYS  59           H        LYS  59  -7.338  -5.036  18.973
  443    HA   LYS  59           HA       LYS  59  -7.803  -5.229  16.132
  444    HB2  LYS  59           2HB      LYS  59  -7.312  -2.695  17.788
  445    HB3  LYS  59           3HB      LYS  59  -7.854  -2.749  16.103
  446    HG2  LYS  59           2HG      LYS  59  -9.810  -4.256  17.054
  447    HG3  LYS  59           3HG      LYS  59  -9.350  -3.533  18.607
  448    HD2  LYS  59           2HD      LYS  59  -9.600  -1.252  17.505
  449    HD3  LYS  59           3HD      LYS  59 -10.245  -2.083  16.077
  450    HE2  LYS  59           2HE      LYS  59 -12.050  -3.071  17.455
  451    HE3  LYS  59           3HE      LYS  59 -11.392  -2.304  18.899
  452    HZ1  LYS  59           3HZ      LYS  59 -13.222  -1.056  18.017
  453    HZ2  LYS  59           1HZ      LYS  59 -11.857  -0.157  17.936
  454    HZ3  LYS  59           2HZ      LYS  59 -12.468  -0.855  16.552
  455    H    VAL  60           H        VAL  60  -5.077  -3.932  18.056
  456    HA   VAL  60           HA       VAL  60  -3.774  -2.870  15.736
  457    HB   VAL  60           HB       VAL  60  -2.725  -3.523  18.520
  458   HG11  VAL  60          1HG1      VAL  60  -0.835  -1.961  17.961
  459   HG12  VAL  60          2HG1      VAL  60  -0.793  -3.438  17.006
  460   HG13  VAL  60          3HG1      VAL  60  -1.393  -1.945  16.270
  461   HG21  VAL  60          3HG2      VAL  60  -3.063  -1.185  18.975
  462   HG22  VAL  60          1HG2      VAL  60  -3.417  -0.819  17.262
  463   HG23  VAL  60          2HG2      VAL  60  -4.556  -1.734  18.252
  464    H    SER  61           H        SER  61  -3.372  -6.060  17.428
  465    HA   SER  61           HA       SER  61  -1.183  -6.853  15.738
  466    HG   SER  61           HG       SER  61  -3.597  -7.838  18.238
  467    HB2  SER  61           2HB      SER  61  -1.735  -9.160  16.541
  468    HB3  SER  61           3HB      SER  61  -1.432  -7.967  17.818
  469    H    GLY  62           H        GLY  62  -4.763  -7.102  15.358
  470    HA2  GLY  62           2HA      GLY  62  -4.713  -8.731  13.007
  471    HA3  GLY  62           3HA      GLY  62  -5.972  -7.563  13.478
  472    H    ASP  63           H        ASP  63  -4.679  -5.133  13.440
  473    HA   ASP  63           HA       ASP  63  -4.515  -4.512  10.645
  474    HB2  ASP  63           2HB      ASP  63  -5.150  -2.828  12.294
  475    HB3  ASP  63           3HB      ASP  63  -3.551  -2.930  13.045
  476    H    MET  64           H        MET  64  -1.917  -4.897  13.127
  477    HA   MET  64           HA       MET  64   0.173  -4.200  11.357
  478    HB2  MET  64           2HB      MET  64   0.093  -5.902  13.873
  479    HB3  MET  64           3HB      MET  64   1.595  -5.645  12.991
  480    HG2  MET  64           2HG      MET  64  -0.158  -3.462  14.169
  481    HG3  MET  64           3HG      MET  64   1.378  -4.018  14.809
  482    HE1  MET  64           3HE      MET  64   0.760  -0.501  12.274
  483    HE2  MET  64           1HE      MET  64  -0.497  -1.664  12.704
  484    HE3  MET  64           2HE      MET  64   0.450  -0.881  13.984
  485    H    GLN  65           H        GLN  65  -1.394  -7.397  11.896
  486    HA   GLN  65           HA       GLN  65   0.450  -8.801  10.194
  487    HB2  GLN  65           2HB      GLN  65  -2.406  -9.305  11.083
  488    HB3  GLN  65           3HB      GLN  65  -1.565 -10.403   9.973
  489    HG2  GLN  65           2HG      GLN  65   0.196 -10.839  11.570
  490    HG3  GLN  65           3HG      GLN  65  -0.372  -9.581  12.661
  491   HE21  GLN  65          2HE2      GLN  65  -2.453  -9.856  13.710
  492   HE22  GLN  65          1HE2      GLN  65  -3.063 -11.497  14.013
  493    H    LYS  66           H        LYS  66  -2.550  -6.916   9.407
  494    HA   LYS  66           HA       LYS  66  -2.292  -7.688   6.605
  495    HB2  LYS  66           2HB      LYS  66  -4.205  -6.604   6.173
  496    HB3  LYS  66           3HB      LYS  66  -4.436  -6.919   7.886
  497    HG2  LYS  66           2HG      LYS  66  -3.836  -4.538   8.373
  498    HG3  LYS  66           3HG      LYS  66  -3.542  -4.266   6.657
  499    HD2  LYS  66           2HD      LYS  66  -5.688  -3.389   7.238
  500    HD3  LYS  66           3HD      LYS  66  -5.920  -4.804   6.189
  501    HE2  LYS  66           2HE      LYS  66  -6.419  -6.189   8.211
  502    HE3  LYS  66           3HE      LYS  66  -6.163  -4.774   9.235
  503    HZ1  LYS  66           3HZ      LYS  66  -8.020  -3.712   8.156
  504    HZ2  LYS  66           1HZ      LYS  66  -8.269  -5.024   7.166
  505    HZ3  LYS  66           2HZ      LYS  66  -8.494  -5.145   8.802
  506    H    GLN  67           H        GLN  67  -0.868  -5.131   8.592
  507    HA   GLN  67           HA       GLN  67   0.066  -3.539   6.361
  508    HB2  GLN  67           2HB      GLN  67   1.163  -3.812   9.222
  509    HB3  GLN  67           3HB      GLN  67   1.712  -2.658   8.046
  510    HG2  GLN  67           2HG      GLN  67  -0.921  -2.686   9.500
  511    HG3  GLN  67           3HG      GLN  67   0.318  -1.456   9.487
  512   HE21  GLN  67          2HE2      GLN  67  -2.755  -1.686   8.650
  513   HE22  GLN  67          1HE2      GLN  67  -2.718  -0.857   7.092
  514    H    GLY  68           H        GLY  68   1.615  -5.986   8.457
  515    HA2  GLY  68           2HA      GLY  68   3.024  -7.686   7.119
  516    HA3  GLY  68           3HA      GLY  68   3.874  -6.249   6.535
  517    H    CYS  69           H        CYS  69   2.599  -6.997   9.850
  518    HA   CYS  69           HA       CYS  69   5.322  -7.220  10.930
  519    HG   CYS  69           HG       CYS  69   5.123  -3.338  11.811
  520    HB2  CYS  69           2HB      CYS  69   3.258  -5.110  11.707
  521    HB3  CYS  69           3HB      CYS  69   4.515  -5.653  12.835
  522    H    ASP  70           H        ASP  70   5.194  -7.912  13.243
  523    HA   ASP  70           HA       ASP  70   2.651  -9.255  14.059
  524    HB2  ASP  70           2HB      ASP  70   4.225 -10.994  13.296
  525    HB3  ASP  70           3HB      ASP  70   5.486 -10.328  14.337
  526    H    CYS  71           H        CYS  71   2.684  -9.480  16.540
  527    HA   CYS  71           HA       CYS  71   3.904  -6.996  17.707
  528    HG   CYS  71           HG       CYS  71   2.320  -5.188  16.831
  529    HB2  CYS  71           2HB      CYS  71   1.051  -8.066  17.895
  530    HB3  CYS  71           3HB      CYS  71   1.663  -6.704  18.842
  531    H    GLU  72           H        GLU  72   4.336  -7.003  19.902
  532    HA   GLU  72           HA       GLU  72   3.375  -9.259  21.596
  533    HB2  GLU  72           2HB      GLU  72   5.697  -9.758  20.880
  534    HB3  GLU  72           3HB      GLU  72   6.233  -8.187  21.499
  535    HG2  GLU  72           2HG      GLU  72   5.464  -8.845  23.779
  536    HG3  GLU  72           3HG      GLU  72   4.945 -10.415  23.155
  537    H    CYS  73           H        CYS  73   2.098  -8.177  23.092
  538    HA   CYS  73           HA       CYS  73   2.384  -5.366  23.727
  539    HG   CYS  73           HG       CYS  73  -0.642  -8.234  25.440
  540    HB2  CYS  73           2HB      CYS  73   0.840  -6.178  25.683
  541    HB3  CYS  73           3HB      CYS  73   0.199  -6.133  24.031
  542    H    LEU  74           H        LEU  74   3.873  -4.515  25.057
  543    HA   LEU  74           HA       LEU  74   5.587  -6.324  26.660
  544    HG   LEU  74           HG       LEU  74   6.252  -4.234  24.122
  545    HB2  LEU  74           2HB      LEU  74   5.713  -3.298  26.281
  546    HB3  LEU  74           3HB      LEU  74   6.903  -4.309  27.096
  547   HD11  LEU  74          1HD1      LEU  74   8.855  -3.784  25.663
  548   HD12  LEU  74          2HD1      LEU  74   8.606  -3.579  23.917
  549   HD13  LEU  74          3HD1      LEU  74   7.810  -2.503  25.051
  550   HD21  LEU  74          3HD2      LEU  74   6.591  -6.600  24.617
  551   HD22  LEU  74          1HD2      LEU  74   8.038  -5.972  23.849
  552   HD23  LEU  74          2HD2      LEU  74   8.018  -6.240  25.605
  553    H    GLY  75           H        GLY  75   2.883  -4.188  27.044
  554    HA2  GLY  75           2HA      GLY  75   1.961  -4.786  29.534
  555    HA3  GLY  75           3HA      GLY  75   3.273  -3.639  29.861
  556    H    GLY  76           H        GLY  76   1.005  -2.522  30.589
  557    HA2  GLY  76           2HA      GLY  76   0.777  -0.302  28.741
  558    HA3  GLY  76           3HA      GLY  76  -0.693  -1.266  28.794
  559    H    GLY  77           H        GLY  77  -1.680   0.658  29.672
  560    HA2  GLY  77           2HA      GLY  77  -2.019   0.810  32.462
  561    HA3  GLY  77           3HA      GLY  77  -0.826   2.036  31.997
  562    H    ARG  78           H        ARG  78  -2.072   3.911  32.107
  563    HA   ARG  78           HA       ARG  78  -4.299   4.200  30.168
  564    HE   ARG  78           HE       ARG  78  -4.704   4.804  34.841
  565    HB2  ARG  78           2HB      ARG  78  -4.242   5.269  33.016
  566    HB3  ARG  78           3HB      ARG  78  -5.498   5.587  31.824
  567    HG2  ARG  78           2HG      ARG  78  -6.242   3.274  31.864
  568    HG3  ARG  78           3HG      ARG  78  -4.899   2.791  32.911
  569    HD2  ARG  78           2HD      ARG  78  -7.086   4.755  33.696
  570    HD3  ARG  78           3HD      ARG  78  -7.004   3.047  34.158
  571   HH11  ARG  78          1HH2      ARG  78  -7.562   2.983  36.111
  572   HH12  ARG  78          2HH2      ARG  78  -6.922   3.074  37.735
  573   HH21  ARG  78          1HH1      ARG  78  -4.089   4.924  37.108
  574   HH22  ARG  78          2HH1      ARG  78  -5.092   4.046  38.251
  575    H    ILE  79           H        ILE  79  -4.363   6.283  29.271
  576    HA   ILE  79           HA       ILE  79  -2.186   8.176  30.016
  577    HB   ILE  79           HB       ILE  79  -3.558   7.661  27.342
  578   HG12  ILE  79          2HG1      ILE  79  -0.584   7.554  28.012
  579   HG13  ILE  79          3HG1      ILE  79  -1.623   6.140  28.007
  580   HG21  ILE  79          1HG2      ILE  79  -3.304  10.082  27.601
  581   HG22  ILE  79          2HG2      ILE  79  -1.605   9.890  28.080
  582   HG23  ILE  79          3HG2      ILE  79  -2.138   9.518  26.424
  583   HD11  ILE  79          3HD1      ILE  79  -0.933   7.869  25.608
  584   HD12  ILE  79          1HD1      ILE  79  -0.425   6.211  25.936
  585   HD13  ILE  79          2HD1      ILE  79  -2.132   6.555  25.591
  586    H    SER  80           H        SER  80  -2.956  10.314  30.291
  587    HA   SER  80           HA       SER  80  -5.897  10.723  30.265
  588    HG   SER  80           HG       SER  80  -4.845  10.198  33.749
  589    HB2  SER  80           2HB      SER  80  -4.020  11.801  32.396
  590    HB3  SER  80           3HB      SER  80  -5.788  11.847  32.365
  591    H    HIS  81           H        HIS  81  -6.467  12.551  29.195
  592    HA   HIS  81           HA       HIS  81  -4.414  14.582  28.491
  593    HD1  HIS  81           HD1      HIS  81  -7.296  15.312  25.599
  594    HD2  HIS  81           HD2      HIS  81  -3.161  14.599  25.147
  595    HE1  HIS  81           HE1      HIS  81  -6.470  16.879  23.783
  596    HB2  HIS  81           2HB      HIS  81  -4.453  12.889  26.708
  597    HB3  HIS  81           3HB      HIS  81  -6.215  12.949  26.652
  598    H    GLN  82           H        GLN  82  -5.316  16.583  28.023
  599    HA   GLN  82           HA       GLN  82  -8.146  16.968  27.715
  600    HB2  GLN  82           2HB      GLN  82  -7.772  17.094  30.262
  601    HB3  GLN  82           3HB      GLN  82  -6.733  18.490  29.961
  602    HG2  GLN  82           2HG      GLN  82  -8.664  19.658  28.888
  603    HG3  GLN  82           3HG      GLN  82  -9.682  18.251  29.227
  604   HE21  GLN  82          2HE2      GLN  82  -7.988  21.024  30.652
  605   HE22  GLN  82          1HE2      GLN  82  -8.823  21.012  32.179
  606    H    SER  83           H        SER  83  -8.243  18.533  26.124
  607    HA   SER  83           HA       SER  83  -5.917  19.224  24.802
  608    HG   SER  83           HG       SER  83  -9.072  18.842  23.111
  609    HB2  SER  83           2HB      SER  83  -8.603  20.641  24.527
  610    HB3  SER  83           3HB      SER  83  -7.362  20.410  23.268
  611    H    GLN  84           H        GLN  84  -7.212  21.003  27.501
  612    HA   GLN  84           HA       GLN  84  -5.258  23.158  27.147
  613    HB2  GLN  84           2HB      GLN  84  -8.271  23.599  27.442
  614    HB3  GLN  84           3HB      GLN  84  -7.084  24.846  27.787
  615    HG2  GLN  84           2HG      GLN  84  -7.448  23.569  25.041
  616    HG3  GLN  84           3HG      GLN  84  -8.185  25.071  25.567
  617   HE21  GLN  84          2HE2      GLN  84  -5.074  23.534  24.688
  618   HE22  GLN  84          1HE2      GLN  84  -4.218  25.043  24.523
  619    H    ASP  85           H        ASP  85  -5.132  24.400  29.206
  620    HA   ASP  85           HA       ASP  85  -4.961  24.735  31.388
  621    HB2  ASP  85           2HB      ASP  85  -7.401  24.860  31.156
  622    HB3  ASP  85           3HB      ASP  85  -7.535  23.171  31.613
  623    H    LYS  86           H        LYS  86  -4.551  21.579  30.308
  624    HA   LYS  86           HA       LYS  86  -3.135  20.846  32.799
  625    HB2  LYS  86           2HB      LYS  86  -5.075  19.028  31.306
  626    HB3  LYS  86           3HB      LYS  86  -4.010  18.500  32.606
  627    HG2  LYS  86           2HG      LYS  86  -5.163  19.961  34.216
  628    HG3  LYS  86           3HG      LYS  86  -6.241  20.547  32.936
  629    HD2  LYS  86           2HD      LYS  86  -7.047  18.235  32.554
  630    HD3  LYS  86           3HD      LYS  86  -6.043  17.663  33.903
  631    HE2  LYS  86           2HE      LYS  86  -7.292  18.904  35.505
  632    HE3  LYS  86           3HE      LYS  86  -8.027  19.931  34.273
  633    HZ1  LYS  86           3HZ      LYS  86  -8.615  17.057  34.583
  634    HZ2  LYS  86           1HZ      LYS  86  -9.575  18.284  35.101
  635    HZ3  LYS  86           2HZ      LYS  86  -9.312  18.098  33.487
  636    H    LYS  87           H        LYS  87  -2.017  18.566  32.132
  637    HA   LYS  87           HA       LYS  87  -0.865  18.742  29.425
  638    HB2  LYS  87           2HB      LYS  87   1.367  18.097  30.434
  639    HB3  LYS  87           3HB      LYS  87   0.856  19.759  30.619
  640    HG2  LYS  87           2HG      LYS  87   1.966  19.019  32.603
  641    HG3  LYS  87           3HG      LYS  87   0.290  19.379  32.977
  642    HD2  LYS  87           2HD      LYS  87  -0.265  17.016  33.098
  643    HD3  LYS  87           3HD      LYS  87   1.338  16.549  32.508
  644    HE2  LYS  87           2HE      LYS  87   0.972  18.212  35.025
  645    HE3  LYS  87           3HE      LYS  87   0.811  16.448  35.066
  646    HZ1  LYS  87           3HZ      LYS  87   3.062  16.231  34.310
  647    HZ2  LYS  87           1HZ      LYS  87   3.269  17.841  34.103
  648    HZ3  LYS  87           2HZ      LYS  87   3.075  17.236  35.604
  649    H    ILE  88           H        ILE  88   0.437  16.541  29.039
  650    HA   ILE  88           HA       ILE  88  -1.669  14.544  29.420
  651    HB   ILE  88           HB       ILE  88   1.017  14.318  28.005
  652   HG12  ILE  88          2HG1      ILE  88  -1.732  15.052  26.903
  653   HG13  ILE  88          3HG1      ILE  88  -0.326  16.108  26.988
  654   HG21  ILE  88          1HG2      ILE  88  -1.505  12.604  27.777
  655   HG22  ILE  88          2HG2      ILE  88   0.000  12.358  26.875
  656   HG23  ILE  88          3HG2      ILE  88  -0.014  12.113  28.612
  657   HD11  ILE  88          3HD1      ILE  88  -0.639  13.699  25.170
  658   HD12  ILE  88          1HD1      ILE  88  -0.544  15.409  24.729
  659   HD13  ILE  88          2HD1      ILE  88   0.885  14.600  25.394
  660    H    HIS  89           H        HIS  89  -1.450  12.661  30.676
  661    HA   HIS  89           HA       HIS  89   1.054  12.265  32.179
  662    HD1  HIS  89           HD1      HIS  89   1.940  13.256  34.713
  663    HD2  HIS  89           HD2      HIS  89  -1.071  10.405  35.413
  664    HE1  HIS  89           HE1      HIS  89   2.704  11.868  36.728
  665    HB2  HIS  89           2HB      HIS  89  -0.564  13.668  33.573
  666    HB3  HIS  89           3HB      HIS  89  -1.636  12.263  33.591
  667    H    VAL  90           H        VAL  90   1.173   9.989  33.024
  668    HA   VAL  90           HA       VAL  90  -0.748   8.125  31.759
  669    HB   VAL  90           HB       VAL  90   2.276   7.846  31.521
  670   HG11  VAL  90          1HG1      VAL  90   1.770   6.144  29.855
  671   HG12  VAL  90          2HG1      VAL  90   0.884   5.771  31.359
  672   HG13  VAL  90          3HG1      VAL  90   0.035   6.482  29.983
  673   HG21  VAL  90          3HG2      VAL  90   1.990   8.400  29.077
  674   HG22  VAL  90          1HG2      VAL  90   0.357   9.006  29.454
  675   HG23  VAL  90          2HG2      VAL  90   1.792   9.774  30.158
  676    H    TYR  91           H        TYR  91  -1.144   6.316  33.100
  677    HA   TYR  91           HA       TYR  91   0.538   5.720  35.381
  678    HD1  TYR  91           HD2      TYR  91  -2.873   7.326  34.071
  679    HD2  TYR  91           HD1      TYR  91  -2.654   7.043  38.382
  680    HE1  TYR  91           HE2      TYR  91  -5.303   7.703  34.222
  681    HE2  TYR  91           HE1      TYR  91  -5.074   7.462  38.530
  682    HH   TYR  91           HH       TYR  91  -7.041   7.838  37.341
  683    HB2  TYR  91           2HB      TYR  91  -0.745   6.543  37.137
  684    HB3  TYR  91           3HB      TYR  91  -0.595   7.899  36.059
  685    H    GLY  92           H        GLY  92  -0.817   4.220  36.996
  686    HA2  GLY  92           2HA      GLY  92  -2.179   2.371  37.303
  687    HA3  GLY  92           3HA      GLY  92  -2.920   2.642  35.724
  688    H    TYR  93           H        TYR  93  -2.669   0.219  35.628
  689    HA   TYR  93           HA       TYR  93  -0.352  -0.376  33.995
  690    HD1  TYR  93           HD1      TYR  93  -1.329  -0.807  38.102
  691    HD2  TYR  93           HD2      TYR  93  -1.068  -4.296  35.567
  692    HE1  TYR  93           HE1      TYR  93  -2.681  -2.103  39.731
  693    HE2  TYR  93           HE2      TYR  93  -2.399  -5.576  37.190
  694    HH   TYR  93           HH       TYR  93  -3.522  -5.533  39.231
  695    HB2  TYR  93           2HB      TYR  93   0.293  -2.379  35.127
  696    HB3  TYR  93           3HB      TYR  93   0.437  -1.053  36.262
  697    H    SER  94           H        SER  94  -0.842  -2.407  32.694
  698    HA   SER  94           HA       SER  94  -3.747  -2.829  32.392
  699    HG   SER  94           HG       SER  94  -3.230  -1.982  30.221
  700    HB2  SER  94           2HB      SER  94  -1.340  -3.988  30.927
  701    HB3  SER  94           3HB      SER  94  -3.043  -4.265  30.499
  702    H    MET  95           H        MET  95  -4.673  -4.216  33.839
  703    HA   MET  95           HA       MET  95  -3.449  -6.385  35.137
  704    HB2  MET  95           2HB      MET  95  -6.344  -6.132  34.198
  705    HB3  MET  95           3HB      MET  95  -5.737  -7.303  35.361
  706    HG2  MET  95           2HG      MET  95  -6.744  -5.619  36.650
  707    HG3  MET  95           3HG      MET  95  -5.012  -5.418  36.844
  708    HE1  MET  95           3HE      MET  95  -7.474  -4.127  33.898
  709    HE2  MET  95           1HE      MET  95  -8.356  -3.982  35.439
  710    HE3  MET  95           2HE      MET  95  -7.843  -2.523  34.569
  711    H    ALA  96           H        ALA  96  -4.499  -6.084  31.802
  712    HA   ALA  96           HA       ALA  96  -4.727  -8.812  31.112
  713    HB1  ALA  96           3HB      ALA  96  -4.424  -8.006  28.803
  714    HB2  ALA  96           1HB      ALA  96  -5.506  -6.923  29.701
  715    HB3  ALA  96           2HB      ALA  96  -3.808  -6.454  29.397
  716    H    TYR  97           H        TYR  97  -1.739  -6.918  31.647
  717    HA   TYR  97           HA       TYR  97  -0.185  -9.332  31.027
  718    HD1  TYR  97           HD2      TYR  97  -1.148  -9.087  27.745
  719    HD2  TYR  97           HD1      TYR  97  -0.282  -5.165  29.304
  720    HE1  TYR  97           HE2      TYR  97  -2.693  -8.086  26.073
  721    HE2  TYR  97           HE1      TYR  97  -1.822  -4.148  27.656
  722    HH   TYR  97           HH       TYR  97  -3.195  -4.546  25.812
  723    HB2  TYR  97           2HB      TYR  97   1.185  -7.091  29.774
  724    HB3  TYR  97           3HB      TYR  97   0.834  -8.677  29.162
  725    H    GLY  98           H        GLY  98   0.177  -5.802  31.793
  726    HA2  GLY  98           2HA      GLY  98   1.008  -5.922  34.362
  727    HA3  GLY  98           3HA      GLY  98   2.498  -6.282  33.461
  728    HA   PRO  99           HA       PRO  99   1.903  -1.597  33.541
  729    HB2  PRO  99           2HB      PRO  99   4.335  -1.022  34.740
  730    HB3  PRO  99           3HB      PRO  99   2.795  -1.191  35.629
  731    HG2  PRO  99           2HG      PRO  99   4.996  -3.231  35.253
  732    HG3  PRO  99           3HG      PRO  99   4.058  -2.864  36.734
  733    HD2  PRO  99           2HD      PRO  99   3.500  -5.001  35.121
  734    HD3  PRO  99           3HD      PRO  99   2.208  -4.105  35.974
  735    H    ALA 100           H        ALA 100   2.619  -0.571  31.765
  736    HA   ALA 100           HA       ALA 100   4.751  -1.661  30.074
  737    HB1  ALA 100           3HB      ALA 100   3.045   0.848  30.059
  738    HB2  ALA 100           1HB      ALA 100   4.396   0.623  28.919
  739    HB3  ALA 100           2HB      ALA 100   3.038  -0.492  28.890
  740    H    GLN 101           H        GLN 101   6.689  -0.376  29.586
  741    HA   GLN 101           HA       GLN 101   7.866   0.964  31.933
  742    HB2  GLN 101           2HB      GLN 101   8.925   0.300  29.150
  743    HB3  GLN 101           3HB      GLN 101   9.844   1.187  30.383
  744    HG2  GLN 101           2HG      GLN 101   9.612  -0.723  31.948
  745    HG3  GLN 101           3HG      GLN 101   8.708  -1.626  30.732
  746   HE21  GLN 101          2HE2      GLN 101  11.928  -0.246  31.506
  747   HE22  GLN 101          1HE2      GLN 101  12.781  -1.275  30.346
  748    H    HIS 102           H        HIS 102   6.070   2.484  31.946
  749    HA   HIS 102           HA       HIS 102   5.136   4.084  30.002
  750    HD1  HIS 102           HD1      HIS 102   4.531   2.842  34.187
  751    HD2  HIS 102           HD2      HIS 102   2.397   4.202  30.853
  752    HE1  HIS 102           HE1      HIS 102   2.339   1.560  34.178
  753    HB2  HIS 102           2HB      HIS 102   5.622   4.914  32.884
  754    HB3  HIS 102           3HB      HIS 102   4.532   5.726  31.765
  755    H    ALA 103           H        ALA 103   8.262   4.762  31.609
  756    HA   ALA 103           HA       ALA 103   8.625   7.398  30.744
  757    HB1  ALA 103           3HB      ALA 103  10.121   6.223  32.337
  758    HB2  ALA 103           1HB      ALA 103  10.725   5.199  31.010
  759    HB3  ALA 103           2HB      ALA 103  11.030   6.947  30.995
  760    H    ILE 104           H        ILE 104   9.024   4.356  28.911
  761    HA   ILE 104           HA       ILE 104  10.392   5.526  26.653
  762    HB   ILE 104           HB       ILE 104   8.673   3.003  26.867
  763   HG12  ILE 104          2HG1      ILE 104  11.678   3.389  27.220
  764   HG13  ILE 104          3HG1      ILE 104  10.520   2.912  28.462
  765   HG21  ILE 104          1HG2      ILE 104   8.954   3.727  24.536
  766   HG22  ILE 104          2HG2      ILE 104  10.726   3.775  24.746
  767   HG23  ILE 104          3HG2      ILE 104   9.830   2.245  24.832
  768   HD11  ILE 104          3HD1      ILE 104  11.661   0.938  27.834
  769   HD12  ILE 104          1HD1      ILE 104  10.043   0.815  27.112
  770   HD13  ILE 104          2HD1      ILE 104  11.445   1.246  26.106
  771    H    SER 105           H        SER 105   6.950   4.637  27.351
  772    HA   SER 105           HA       SER 105   5.847   5.662  25.027
  773    HG   SER 105           HG       SER 105   4.091   3.511  27.404
  774    HB2  SER 105           2HB      SER 105   4.471   5.692  27.737
  775    HB3  SER 105           3HB      SER 105   3.748   5.441  26.132
  776    H    THR 106           H        THR 106   6.439   7.444  28.187
  777    HA   THR 106           HA       THR 106   4.993   9.703  27.283
  778    HB   THR 106           HB       THR 106   6.223  10.916  29.132
  779    HG1  THR 106           1HG      THR 106   8.138   9.677  29.256
  780   HG21  THR 106          3HG2      THR 106   4.060   9.606  29.390
  781   HG22  THR 106          1HG2      THR 106   5.016   8.256  29.998
  782   HG23  THR 106          2HG2      THR 106   5.021   9.807  30.853
  783    H    GLU 107           H        GLU 107   8.498   8.906  26.897
  784    HA   GLU 107           HA       GLU 107   9.164  11.516  25.840
  785    HB2  GLU 107           2HB      GLU 107  10.400   8.763  25.439
  786    HB3  GLU 107           3HB      GLU 107  11.091  10.243  24.785
  787    HG2  GLU 107           2HG      GLU 107  10.588   9.828  27.765
  788    HG3  GLU 107           3HG      GLU 107  12.094   9.407  26.958
  789    H    LYS 108           H        LYS 108   7.987   8.478  24.370
  790    HA   LYS 108           HA       LYS 108   8.220   9.360  21.630
  791    HB2  LYS 108           2HB      LYS 108   6.584   7.194  23.017
  792    HB3  LYS 108           3HB      LYS 108   6.582   7.414  21.260
  793    HG2  LYS 108           2HG      LYS 108   8.945   6.953  21.095
  794    HG3  LYS 108           3HG      LYS 108   9.161   7.051  22.838
  795    HD2  LYS 108           2HD      LYS 108   9.219   4.758  22.367
  796    HD3  LYS 108           3HD      LYS 108   7.658   5.060  23.114
  797    HE2  LYS 108           2HE      LYS 108   7.374   3.501  21.293
  798    HE3  LYS 108           3HE      LYS 108   6.581   5.018  20.849
  799    HZ1  LYS 108           3HZ      LYS 108   8.000   3.909  19.133
  800    HZ2  LYS 108           1HZ      LYS 108   8.202   5.491  19.305
  801    HZ3  LYS 108           2HZ      LYS 108   9.324   4.419  19.956
  802    H    ILE 109           H        ILE 109   5.440   9.377  23.938
  803    HA   ILE 109           HA       ILE 109   3.580  10.641  22.180
  804    HB   ILE 109           HB       ILE 109   3.867  10.681  25.209
  805   HG12  ILE 109          2HG1      ILE 109   1.833   9.110  23.560
  806   HG13  ILE 109          3HG1      ILE 109   3.383   8.431  23.978
  807   HG21  ILE 109          1HG2      ILE 109   2.455  12.614  24.430
  808   HG22  ILE 109          2HG2      ILE 109   1.405  11.474  23.581
  809   HG23  ILE 109          3HG2      ILE 109   1.535  11.442  25.346
  810   HD11  ILE 109          3HD1      ILE 109   2.880   8.803  26.419
  811   HD12  ILE 109          1HD1      ILE 109   1.239   9.311  25.955
  812   HD13  ILE 109          2HD1      ILE 109   1.788   7.668  25.612
  813    H    LYS 110           H        LYS 110   6.039  12.024  24.462
  814    HA   LYS 110           HA       LYS 110   5.345  14.737  23.992
  815    HB2  LYS 110           2HB      LYS 110   6.747  13.852  25.854
  816    HB3  LYS 110           3HB      LYS 110   8.059  13.545  24.713
  817    HG2  LYS 110           2HG      LYS 110   8.380  15.893  24.313
  818    HG3  LYS 110           3HG      LYS 110   6.843  16.308  25.086
  819    HD2  LYS 110           2HD      LYS 110   8.816  16.840  26.510
  820    HD3  LYS 110           3HD      LYS 110   7.674  15.716  27.273
  821    HE2  LYS 110           2HE      LYS 110   9.119  13.795  26.582
  822    HE3  LYS 110           3HE      LYS 110  10.281  14.912  25.877
  823    HZ1  LYS 110           3HZ      LYS 110  10.777  14.028  28.076
  824    HZ2  LYS 110           1HZ      LYS 110  10.815  15.688  28.032
  825    HZ3  LYS 110           2HZ      LYS 110   9.536  14.885  28.730
  826    H    ALA 111           H        ALA 111   7.697  12.623  22.234
  827    HA   ALA 111           HA       ALA 111   8.536  14.624  20.402
  828    HB1  ALA 111           3HB      ALA 111   9.697  12.453  20.724
  829    HB2  ALA 111           1HB      ALA 111   8.316  11.601  19.997
  830    HB3  ALA 111           2HB      ALA 111   9.275  12.727  19.020
  831    H    LYS 112           H        LYS 112   5.722  12.360  20.312
  832    HA   LYS 112           HA       LYS 112   4.931  13.157  17.692
  833    HB2  LYS 112           2HB      LYS 112   4.262  11.014  18.815
  834    HB3  LYS 112           3HB      LYS 112   3.262  11.931  19.928
  835    HG2  LYS 112           2HG      LYS 112   1.831  10.990  18.292
  836    HG3  LYS 112           3HG      LYS 112   1.844  12.705  18.003
  837    HD2  LYS 112           2HD      LYS 112   3.642  10.798  16.451
  838    HD3  LYS 112           3HD      LYS 112   1.960  11.012  16.014
  839    HE2  LYS 112           2HE      LYS 112   4.140  13.141  15.933
  840    HE3  LYS 112           3HE      LYS 112   3.345  12.354  14.574
  841    HZ1  LYS 112           3HZ      LYS 112   2.404  14.484  14.871
  842    HZ2  LYS 112           1HZ      LYS 112   1.250  13.414  15.397
  843    HZ3  LYS 112           2HZ      LYS 112   2.192  14.261  16.480
  844    H    TYR 113           H        TYR 113   4.213  14.526  20.901
  845    HA   TYR 113           HA       TYR 113   2.594  16.661  19.599
  846    HD1  TYR 113           HD1      TYR 113  -0.121  15.937  19.182
  847    HD2  TYR 113           HD2      TYR 113   1.608  13.034  21.854
  848    HE1  TYR 113           HE1      TYR 113  -1.477  14.154  18.118
  849    HE2  TYR 113           HE2      TYR 113   0.269  11.242  20.793
  850    HH   TYR 113           HH       TYR 113  -2.020  11.871  18.121
  851    HB2  TYR 113           2HB      TYR 113   1.969  15.321  22.247
  852    HB3  TYR 113           3HB      TYR 113   1.023  16.553  21.432
  853    HA   PRO 114           HA       PRO 114   6.218  18.176  22.167
  854    HB2  PRO 114           2HB      PRO 114   6.256  20.242  19.967
  855    HB3  PRO 114           3HB      PRO 114   7.633  19.448  20.791
  856    HG2  PRO 114           2HG      PRO 114   6.887  18.656  18.309
  857    HG3  PRO 114           3HG      PRO 114   7.308  17.431  19.551
  858    HD2  PRO 114           2HD      PRO 114   4.555  18.375  18.706
  859    HD3  PRO 114           3HD      PRO 114   5.168  16.713  18.943
  860    H    ASP 115           H        ASP 115   3.318  19.745  20.959
  861    HA   ASP 115           HA       ASP 115   3.538  22.263  22.274
  862    HB2  ASP 115           2HB      ASP 115   2.051  21.730  20.343
  863    HB3  ASP 115           3HB      ASP 115   1.052  20.752  21.402
  864    H    TYR 116           H        TYR 116   3.097  19.146  23.680
  865    HA   TYR 116           HA       TYR 116   1.900  20.379  26.122
  866    HD1  TYR 116           HD1      TYR 116  -0.980  19.954  26.731
  867    HD2  TYR 116           HD2      TYR 116   0.200  18.392  22.898
  868    HE1  TYR 116           HE1      TYR 116  -3.052  20.852  25.741
  869    HE2  TYR 116           HE2      TYR 116  -1.880  19.300  21.881
  870    HH   TYR 116           HH       TYR 116  -4.301  21.105  23.815
  871    HB2  TYR 116           2HB      TYR 116   1.305  17.640  24.940
  872    HB3  TYR 116           3HB      TYR 116   0.770  18.204  26.514
  873    H    GLU 117           H        GLU 117   2.711  19.629  28.051
  874    HA   GLU 117           HA       GLU 117   5.245  18.189  28.097
  875    HB2  GLU 117           2HB      GLU 117   4.835  19.986  29.702
  876    HB3  GLU 117           3HB      GLU 117   3.366  19.205  30.274
  877    HG2  GLU 117           2HG      GLU 117   4.709  17.326  31.173
  878    HG3  GLU 117           3HG      GLU 117   6.183  18.088  30.592
  879    H    VAL 118           H        VAL 118   5.445  16.063  29.130
  880    HA   VAL 118           HA       VAL 118   2.973  14.509  29.434
  881    HB   VAL 118           HB       VAL 118   5.356  13.375  27.945
  882   HG11  VAL 118          1HG1      VAL 118   2.442  12.489  28.105
  883   HG12  VAL 118          2HG1      VAL 118   3.767  11.636  27.298
  884   HG13  VAL 118          3HG1      VAL 118   3.765  11.805  29.064
  885   HG21  VAL 118          3HG2      VAL 118   2.874  14.605  26.682
  886   HG22  VAL 118          1HG2      VAL 118   4.551  15.121  26.447
  887   HG23  VAL 118          2HG2      VAL 118   4.032  13.550  25.844
  888    H    THR 119           H        THR 119   3.168  13.067  31.174
  889    HA   THR 119           HA       THR 119   5.764  12.662  32.497
  890    HB   THR 119           HB       THR 119   4.558  13.334  34.708
  891    HG1  THR 119           1HG      THR 119   2.899  14.486  32.753
  892   HG21  THR 119          3HG2      THR 119   5.305  15.624  32.848
  893   HG22  THR 119          1HG2      THR 119   5.357  15.592  34.623
  894   HG23  THR 119          2HG2      THR 119   6.467  14.588  33.691
  895    H    TRP 120           H        TRP 120   5.346  11.038  34.480
  896    HA   TRP 120           HA       TRP 120   2.899   9.525  34.121
  897    HD1  TRP 120           HD1      TRP 120   6.867   9.461  32.319
  898    HE1  TRP 120           HE1      TRP 120   9.106   8.578  33.140
  899    HE3  TRP 120           HE3      TRP 120   5.182   5.903  35.594
  900    HZ2  TRP 120           HZ2      TRP 120  10.082   6.534  34.953
  901    HZ3  TRP 120           HZ3      TRP 120   6.803   4.459  36.813
  902    HH2  TRP 120           HH2      TRP 120   9.244   4.779  36.513
  903    HB2  TRP 120           2HB      TRP 120   4.020   7.373  33.828
  904    HB3  TRP 120           3HB      TRP 120   4.340   8.430  32.484
  905    H    ALA 121           H        ALA 121   2.713   7.793  35.718
  906    HA   ALA 121           HA       ALA 121   4.376   7.902  38.125
  907    HB1  ALA 121           3HB      ALA 121   1.356   8.402  38.191
  908    HB2  ALA 121           1HB      ALA 121   2.411   8.208  39.612
  909    HB3  ALA 121           2HB      ALA 121   2.607   9.611  38.546
  910    H    ASN 122           H        ASN 122   3.446   6.049  39.653
  911    HA   ASN 122           HA       ASN 122   2.238   3.829  38.135
  912    HB2  ASN 122           2HB      ASN 122   4.027   2.311  38.471
  913    HB3  ASN 122           3HB      ASN 122   4.704   3.729  37.698
  914   HD21  ASN 122          2HD2      ASN 122   5.845   5.336  39.214
  915   HD22  ASN 122          1HD2      ASN 122   6.658   4.616  40.614
  916    H    ASP 123           H        ASP 123   1.544   5.566  40.548
  917    HA   ASP 123           HA       ASP 123   2.004   4.239  42.980
  918    HB2  ASP 123           2HB      ASP 123   1.214   6.541  42.830
  919    HB3  ASP 123           3HB      ASP 123  -0.307   6.014  42.130
  920    H    GLY 124           H        GLY 124  -0.683   3.764  40.639
  921    HA2  GLY 124           2HA      GLY 124  -0.973   1.076  40.985
  922    HA3  GLY 124           3HA      GLY 124  -2.025   1.761  42.234
  923    H    TYR 125           H        TYR 125  -3.314   0.320  40.410
  924    HA   TYR 125           HA       TYR 125  -4.361   1.905  38.207
  925    HD1  TYR 125           HD2      TYR 125  -7.802   0.114  39.140
  926    HD2  TYR 125           HD1      TYR 125  -4.988   0.001  35.895
  927    HE1  TYR 125           HE2      TYR 125  -9.674   0.312  37.524
  928    HE2  TYR 125           HE1      TYR 125  -6.823   0.220  34.263
  929    HH   TYR 125           HH       TYR 125  -9.131   0.406  33.989
  930    HB2  TYR 125           2HB      TYR 125  -4.312  -0.600  38.142
  931    HB3  TYR 125           3HB      TYR 125  -5.452  -0.627  39.483
  Start of MODEL   19
    1    HA   MET   1           HA       MET   1   2.404  -0.653  -4.331
    2    H1   MET   1           H1       MET   1   2.354   0.094  -6.628
    3    H2   MET   1           H2       MET   1   3.615  -0.903  -6.994
    4    H3   MET   1           H3       MET   1   3.832   0.333  -5.944
    5    HB2  MET   1           2HB      MET   1   2.042  -2.825  -6.446
    6    HB3  MET   1           3HB      MET   1   1.694  -3.055  -4.735
    7    HG2  MET   1           2HG      MET   1  -0.358  -2.580  -5.779
    8    HG3  MET   1           3HG      MET   1   0.064  -1.182  -4.801
    9    HE1  MET   1           3HE      MET   1  -2.057   0.333  -7.733
   10    HE2  MET   1           1HE      MET   1  -2.280  -1.246  -6.947
   11    HE3  MET   1           2HE      MET   1  -1.871   0.184  -5.972
   12    H    ALA   2           H        ALA   2   3.478  -1.715  -2.673
   13    HA   ALA   2           HA       ALA   2   5.640  -3.589  -3.212
   14    HB1  ALA   2           3HB      ALA   2   6.831  -1.404  -3.339
   15    HB2  ALA   2           1HB      ALA   2   6.152  -0.943  -1.760
   16    HB3  ALA   2           2HB      ALA   2   7.291  -2.298  -1.881
   17    H    VAL   3           H        VAL   3   6.411  -4.482  -1.056
   18    HA   VAL   3           HA       VAL   3   4.253  -5.037   0.728
   19    HB   VAL   3           HB       VAL   3   6.015  -6.231   1.988
   20   HG11  VAL   3          1HG1      VAL   3   4.802  -7.347   0.166
   21   HG12  VAL   3          2HG1      VAL   3   6.047  -6.838  -0.997
   22   HG13  VAL   3          3HG1      VAL   3   6.456  -7.955   0.319
   23   HG21  VAL   3          3HG2      VAL   3   7.978  -4.780   1.498
   24   HG22  VAL   3          1HG2      VAL   3   8.288  -6.477   1.113
   25   HG23  VAL   3          2HG2      VAL   3   7.960  -5.327  -0.192
   26    H    ALA   4           H        ALA   4   4.421  -4.660   3.088
   27    HA   ALA   4           HA       ALA   4   4.659  -1.836   3.620
   28    HB1  ALA   4           3HB      ALA   4   4.168  -4.186   5.505
   29    HB2  ALA   4           1HB      ALA   4   3.950  -2.473   5.913
   30    HB3  ALA   4           2HB      ALA   4   2.921  -3.211   4.678
   31    H    ASP   5           H        ASP   5   5.796  -1.085   5.681
   32    HA   ASP   5           HA       ASP   5   8.222  -2.459   6.492
   33    HB2  ASP   5           2HB      ASP   5   9.014  -1.182   4.504
   34    HB3  ASP   5           3HB      ASP   5   8.318   0.297   5.174
   35    H    LEU   6           H        LEU   6   8.993  -1.422   8.531
   36    HA   LEU   6           HA       LEU   6   6.880  -0.616  10.229
   37    HG   LEU   6           HG       LEU   6   9.140  -2.696  10.451
   38    HB2  LEU   6           2HB      LEU   6   9.902  -0.317  10.508
   39    HB3  LEU   6           3HB      LEU   6   8.757  -0.009  11.805
   40   HD11  LEU   6          1HD1      LEU   6  11.102  -2.031  11.772
   41   HD12  LEU   6          2HD1      LEU   6  10.066  -1.700  13.179
   42   HD13  LEU   6          3HD1      LEU   6  10.228  -3.354  12.550
   43   HD21  LEU   6          3HD2      LEU   6   7.472  -1.907  12.883
   44   HD22  LEU   6          1HD2      LEU   6   6.874  -2.546  11.335
   45   HD23  LEU   6          2HD2      LEU   6   7.828  -3.579  12.395
   46    H    ALA   7           H        ALA   7   8.938   1.363   8.137
   47    HA   ALA   7           HA       ALA   7   8.603   3.849   9.451
   48    HB1  ALA   7           3HB      ALA   7   9.080   4.824   7.235
   49    HB2  ALA   7           1HB      ALA   7  10.171   3.468   7.581
   50    HB3  ALA   7           2HB      ALA   7   8.797   3.247   6.469
   51    H    LEU   8           H        LEU   8   6.286   1.929   7.591
   52    HA   LEU   8           HA       LEU   8   4.515   4.162   6.967
   53    HG   LEU   8           HG       LEU   8   5.747   1.605   5.345
   54    HB2  LEU   8           2HB      LEU   8   3.963   1.165   6.992
   55    HB3  LEU   8           3HB      LEU   8   2.950   2.404   6.261
   56   HD11  LEU   8          1HD1      LEU   8   3.034   1.264   4.000
   57   HD12  LEU   8          2HD1      LEU   8   4.607   0.697   3.395
   58   HD13  LEU   8          3HD1      LEU   8   3.907  -0.012   4.864
   59   HD21  LEU   8          3HD2      LEU   8   5.313   3.081   3.386
   60   HD22  LEU   8          1HD2      LEU   8   3.845   3.691   4.184
   61   HD23  LEU   8          2HD2      LEU   8   5.451   3.991   4.891
   62    H    ILE   9           H        ILE   9   5.031   2.104   9.750
   63    HA   ILE   9           HA       ILE   9   2.293   2.413  10.764
   64    HB   ILE   9           HB       ILE   9   4.791   1.014  11.794
   65   HG12  ILE   9          2HG1      ILE   9   2.104  -0.074  10.823
   66   HG13  ILE   9          3HG1      ILE   9   3.560   0.007   9.835
   67   HG21  ILE   9          1HG2      ILE   9   2.035   1.113  13.099
   68   HG22  ILE   9          2HG2      ILE   9   3.398   0.092  13.623
   69   HG23  ILE   9          3HG2      ILE   9   3.528   1.833  13.745
   70   HD11  ILE   9          3HD1      ILE   9   3.321  -2.232  10.637
   71   HD12  ILE   9          1HD1      ILE   9   4.733  -1.500  11.427
   72   HD13  ILE   9          2HD1      ILE   9   3.208  -1.702  12.318
   73    HA   PRO  10           HA       PRO  10   3.689   6.267  12.676
   74    HB2  PRO  10           2HB      PRO  10   1.530   6.820  14.292
   75    HB3  PRO  10           3HB      PRO  10   1.525   7.061  12.519
   76    HG2  PRO  10           2HG      PRO  10   0.441   4.707  14.084
   77    HG3  PRO  10           3HG      PRO  10  -0.346   5.608  12.751
   78    HD2  PRO  10           2HD      PRO  10   0.961   3.248  12.341
   79    HD3  PRO  10           3HD      PRO  10   1.006   4.559  11.124
   80    H    ASP  11           H        ASP  11   4.706   6.809  14.651
   81    HA   ASP  11           HA       ASP  11   5.466   4.544  16.251
   82    HB2  ASP  11           2HB      ASP  11   6.897   6.523  15.514
   83    HB3  ASP  11           3HB      ASP  11   6.111   7.462  16.788
   84    H    VAL  12           H        VAL  12   3.228   7.220  16.714
   85    HA   VAL  12           HA       VAL  12   2.228   6.090  19.246
   86    HB   VAL  12           HB       VAL  12   2.742   9.051  18.719
   87   HG11  VAL  12          1HG1      VAL  12   0.766   8.676  20.142
   88   HG12  VAL  12          2HG1      VAL  12   1.711   7.627  21.218
   89   HG13  VAL  12          3HG1      VAL  12   2.095   9.354  21.089
   90   HG21  VAL  12          3HG2      VAL  12   4.882   8.002  19.162
   91   HG22  VAL  12          1HG2      VAL  12   4.379   8.929  20.573
   92   HG23  VAL  12          2HG2      VAL  12   4.216   7.155  20.577
   93    H    ASP  13           H        ASP  13  -0.040   6.029  19.132
   94    HA   ASP  13           HA       ASP  13  -1.450   7.871  17.373
   95    HB2  ASP  13           2HB      ASP  13  -0.853   5.957  15.847
   96    HB3  ASP  13           3HB      ASP  13  -1.782   4.883  16.892
   97    H    ILE  14           H        ILE  14  -2.998   8.571  18.673
   98    HA   ILE  14           HA       ILE  14  -4.442   6.819  20.512
   99    HB   ILE  14           HB       ILE  14  -4.118   8.521  22.347
  100   HG12  ILE  14          2HG1      ILE  14  -1.699   9.444  20.723
  101   HG13  ILE  14          3HG1      ILE  14  -3.169  10.384  20.980
  102   HG21  ILE  14          1HG2      ILE  14  -2.111   7.481  23.217
  103   HG22  ILE  14          2HG2      ILE  14  -2.989   6.282  22.270
  104   HG23  ILE  14          3HG2      ILE  14  -1.550   7.064  21.585
  105   HD11  ILE  14          3HD1      ILE  14  -1.436  11.173  22.460
  106   HD12  ILE  14          1HD1      ILE  14  -2.718  10.423  23.419
  107   HD13  ILE  14          2HD1      ILE  14  -1.182   9.560  23.132
  108    H    ASP  15           H        ASP  15  -6.553   7.546  20.747
  109    HA   ASP  15           HA       ASP  15  -7.364  10.187  19.747
  110    HB2  ASP  15           2HB      ASP  15  -7.255   9.009  17.633
  111    HB3  ASP  15           3HB      ASP  15  -8.151   7.639  18.290
  112    H    SER  16           H        SER  16  -7.996  10.394  21.926
  113    HA   SER  16           HA       SER  16 -10.668   9.564  22.549
  114    HG   SER  16           HG       SER  16  -9.695   7.428  22.220
  115    HB2  SER  16           2HB      SER  16  -8.303   8.381  24.063
  116    HB3  SER  16           3HB      SER  16  -9.923   8.510  24.779
  117    H    ASP  17           H        ASP  17 -11.081  10.422  24.949
  118    HA   ASP  17           HA       ASP  17  -9.460  12.771  25.638
  119    HB2  ASP  17           2HB      ASP  17 -11.184  13.661  24.127
  120    HB3  ASP  17           3HB      ASP  17 -12.448  12.850  25.060
  121    H    GLY  18           H        GLY  18 -10.040  13.485  27.872
  122    HA2  GLY  18           2HA      GLY  18 -10.301  12.962  30.116
  123    HA3  GLY  18           3HA      GLY  18 -11.501  11.739  29.660
  124    H    VAL  19           H        VAL  19 -10.480  10.321  31.297
  125    HA   VAL  19           HA       VAL  19  -7.827   9.253  30.894
  126    HB   VAL  19           HB       VAL  19 -10.253   8.034  32.277
  127   HG11  VAL  19          1HG1      VAL  19  -7.288   7.324  32.470
  128   HG12  VAL  19          2HG1      VAL  19  -8.590   6.642  33.482
  129   HG13  VAL  19          3HG1      VAL  19  -8.562   6.314  31.752
  130   HG21  VAL  19          3HG2      VAL  19  -9.189   8.805  34.381
  131   HG22  VAL  19          1HG2      VAL  19  -7.934   9.637  33.439
  132   HG23  VAL  19          2HG2      VAL  19  -9.626  10.167  33.351
  133    H    PHE  20           H        PHE  20  -7.206   7.548  29.532
  134    HA   PHE  20           HA       PHE  20  -9.251   5.767  28.451
  135    HD1  PHE  20           HD1      PHE  20  -7.528   9.398  27.194
  136    HD2  PHE  20           HD2      PHE  20  -6.334   5.710  25.307
  137    HE1  PHE  20           HE1      PHE  20  -5.497  10.508  26.303
  138    HE2  PHE  20           HE2      PHE  20  -4.308   6.820  24.420
  139    HZ   PHE  20           HZ       PHE  20  -3.883   9.220  24.918
  140    HB2  PHE  20           2HB      PHE  20  -8.573   5.978  26.148
  141    HB3  PHE  20           3HB      PHE  20  -9.151   7.519  26.748
  142    H    LYS  21           H        LYS  21  -8.341   3.832  27.574
  143    HA   LYS  21           HA       LYS  21  -6.064   2.870  29.142
  144    HB2  LYS  21           2HB      LYS  21  -7.974   1.570  27.142
  145    HB3  LYS  21           3HB      LYS  21  -6.754   0.678  28.051
  146    HG2  LYS  21           2HG      LYS  21  -7.833   1.180  30.171
  147    HG3  LYS  21           3HG      LYS  21  -8.924   2.338  29.404
  148    HD2  LYS  21           2HD      LYS  21  -9.865   0.441  28.021
  149    HD3  LYS  21           3HD      LYS  21  -8.960  -0.684  29.062
  150    HE2  LYS  21           2HE      LYS  21 -10.154   0.115  31.044
  151    HE3  LYS  21           3HE      LYS  21 -10.842   1.464  30.134
  152    HZ1  LYS  21           3HZ      LYS  21 -12.022  -0.239  28.759
  153    HZ2  LYS  21           1HZ      LYS  21 -11.587  -1.386  29.834
  154    HZ3  LYS  21           2HZ      LYS  21 -12.523  -0.145  30.322
  155    H    TYR  22           H        TYR  22  -4.064   2.093  28.264
  156    HA   TYR  22           HA       TYR  22  -3.704   2.229  25.368
  157    HD1  TYR  22           HD2      TYR  22  -1.763   4.102  28.894
  158    HD2  TYR  22           HD1      TYR  22  -0.109   3.301  25.000
  159    HE1  TYR  22           HE2      TYR  22   0.498   4.102  29.863
  160    HE2  TYR  22           HE1      TYR  22   2.174   3.261  25.971
  161    HH   TYR  22           HH       TYR  22   3.461   3.641  27.830
  162    HB2  TYR  22           2HB      TYR  22  -2.374   4.028  25.243
  163    HB3  TYR  22           3HB      TYR  22  -3.069   4.516  26.759
  164    H    VAL  23           H        VAL  23  -1.571   1.349  24.719
  165    HA   VAL  23           HA       VAL  23  -0.362  -0.531  26.623
  166    HB   VAL  23           HB       VAL  23  -2.310  -1.685  25.706
  167   HG11  VAL  23          1HG1      VAL  23  -2.544  -2.214  23.318
  168   HG12  VAL  23          2HG1      VAL  23  -2.673  -0.482  23.632
  169   HG13  VAL  23          3HG1      VAL  23  -1.177  -1.131  22.948
  170   HG21  VAL  23          3HG2      VAL  23   0.297  -2.781  24.617
  171   HG22  VAL  23          1HG2      VAL  23  -0.498  -3.145  26.159
  172   HG23  VAL  23          2HG2      VAL  23  -1.241  -3.670  24.652
  173    H    LEU  24           H        LEU  24   1.732  -1.070  26.066
  174    HA   LEU  24           HA       LEU  24   2.988   0.467  23.826
  175    HG   LEU  24           HG       LEU  24   5.786  -0.932  24.530
  176    HB2  LEU  24           2HB      LEU  24   3.952   0.997  26.029
  177    HB3  LEU  24           3HB      LEU  24   4.145  -0.723  26.387
  178   HD11  LEU  24          1HD1      LEU  24   6.785   1.210  23.603
  179   HD12  LEU  24          2HD1      LEU  24   5.186   0.810  22.992
  180   HD13  LEU  24          3HD1      LEU  24   5.368   2.070  24.230
  181   HD21  LEU  24          3HD2      LEU  24   6.458   1.287  26.506
  182   HD22  LEU  24          1HD2      LEU  24   6.539  -0.457  26.823
  183   HD23  LEU  24          2HD2      LEU  24   7.623   0.265  25.627
  184    H    ILE  25           H        ILE  25   3.532  -0.841  22.096
  185    HA   ILE  25           HA       ILE  25   3.567  -3.802  22.538
  186    HB   ILE  25           HB       ILE  25   2.256  -2.213  20.289
  187   HG12  ILE  25          2HG1      ILE  25   0.945  -3.933  22.444
  188   HG13  ILE  25          3HG1      ILE  25   0.941  -2.169  22.416
  189   HG21  ILE  25          1HG2      ILE  25   2.277  -5.223  20.771
  190   HG22  ILE  25          2HG2      ILE  25   1.512  -4.364  19.407
  191   HG23  ILE  25          3HG2      ILE  25   3.244  -4.378  19.535
  192   HD11  ILE  25          3HD1      ILE  25  -0.391  -3.911  20.301
  193   HD12  ILE  25          1HD1      ILE  25  -1.184  -3.058  21.610
  194   HD13  ILE  25          2HD1      ILE  25  -0.348  -2.132  20.354
  195    H    ARG  26           H        ARG  26   5.293  -4.802  21.628
  196    HA   ARG  26           HA       ARG  26   7.203  -3.206  20.013
  197    HE   ARG  26           HE       ARG  26   9.228  -7.367  21.583
  198    HB2  ARG  26           2HB      ARG  26   8.128  -4.593  21.823
  199    HB3  ARG  26           3HB      ARG  26   7.378  -6.044  21.141
  200    HG2  ARG  26           2HG      ARG  26   8.813  -6.000  19.225
  201    HG3  ARG  26           3HG      ARG  26   9.269  -4.321  19.504
  202    HD2  ARG  26           2HD      ARG  26  11.120  -5.753  20.050
  203    HD3  ARG  26           3HD      ARG  26  10.542  -4.906  21.490
  204   HH11  ARG  26          1HH2      ARG  26  12.642  -6.328  21.501
  205   HH12  ARG  26          2HH2      ARG  26  13.201  -7.698  22.393
  206   HH21  ARG  26          1HH1      ARG  26   9.918  -9.072  22.710
  207   HH22  ARG  26          2HH1      ARG  26  11.603  -9.347  23.116
  208    H    VAL  27           H        VAL  27   7.350  -3.580  17.808
  209    HA   VAL  27           HA       VAL  27   5.450  -5.524  16.624
  210    HB   VAL  27           HB       VAL  27   4.396  -3.383  16.533
  211   HG11  VAL  27          1HG1      VAL  27   6.239  -1.823  16.834
  212   HG12  VAL  27          2HG1      VAL  27   6.920  -2.265  15.256
  213   HG13  VAL  27          3HG1      VAL  27   5.362  -1.422  15.355
  214   HG21  VAL  27          3HG2      VAL  27   4.213  -4.819  14.534
  215   HG22  VAL  27          1HG2      VAL  27   4.079  -3.095  14.144
  216   HG23  VAL  27          2HG2      VAL  27   5.583  -3.964  13.788
  217    H    HIS  28           H        HIS  28   6.232  -6.618  14.906
  218    HA   HIS  28           HA       HIS  28   9.163  -6.402  14.362
  219    HD1  HIS  28           HD1      HIS  28  10.383  -7.845  16.653
  220    HD2  HIS  28           HD2      HIS  28   6.407  -9.211  16.797
  221    HE1  HIS  28           HE1      HIS  28   9.905  -8.436  19.099
  222    HB2  HIS  28           2HB      HIS  28   7.399  -8.890  14.408
  223    HB3  HIS  28           3HB      HIS  28   9.151  -8.821  14.275
  224    H    SER  29           H        SER  29   9.659  -6.307  12.181
  225    HA   SER  29           HA       SER  29   7.521  -6.061  10.248
  226    HG   SER  29           HG       SER  29  11.059  -5.989  10.914
  227    HB2  SER  29           2HB      SER  29   9.396  -5.928   8.600
  228    HB3  SER  29           3HB      SER  29   9.478  -4.752   9.908
  229    H    ALA  30           H        ALA  30   6.770  -7.507   8.750
  230    HA   ALA  30           HA       ALA  30   8.226  -9.934   8.119
  231    HB1  ALA  30           3HB      ALA  30   6.341 -11.437   8.547
  232    HB2  ALA  30           1HB      ALA  30   6.968 -10.726  10.050
  233    HB3  ALA  30           2HB      ALA  30   5.447 -10.111   9.343
  234    HA   PRO  31           HA       PRO  31   5.890  -7.107   5.153
  235    HB2  PRO  31           2HB      PRO  31   8.291  -7.689   3.433
  236    HB3  PRO  31           3HB      PRO  31   7.461  -6.134   3.736
  237    HG2  PRO  31           2HG      PRO  31   9.824  -6.689   4.927
  238    HG3  PRO  31           3HG      PRO  31   8.514  -5.856   5.823
  239    HD2  PRO  31           2HD      PRO  31   9.276  -8.786   5.950
  240    HD3  PRO  31           3HD      PRO  31   8.874  -7.672   7.255
  241    H    ARG  32           H        ARG  32   7.492 -10.206   4.472
  242    HA   ARG  32           HA       ARG  32   5.140 -11.304   3.243
  243    HE   ARG  32           HE       ARG  32   4.837 -10.524  -0.692
  244    HB2  ARG  32           2HB      ARG  32   6.357 -10.194   1.305
  245    HB3  ARG  32           3HB      ARG  32   7.742 -11.239   1.619
  246    HG2  ARG  32           2HG      ARG  32   6.433 -13.226   1.071
  247    HG3  ARG  32           3HG      ARG  32   4.947 -12.272   0.936
  248    HD2  ARG  32           2HD      ARG  32   7.420 -11.887  -0.806
  249    HD3  ARG  32           3HD      ARG  32   6.038 -12.901  -1.254
  250   HH11  ARG  32          1HH2      ARG  32   7.500 -11.412  -2.864
  251   HH12  ARG  32          2HH2      ARG  32   7.162 -10.179  -4.020
  252   HH21  ARG  32          1HH1      ARG  32   4.371  -8.883  -2.243
  253   HH22  ARG  32          2HH1      ARG  32   5.341  -8.716  -3.656
  254    H    SER  33           H        SER  33   5.472 -13.726   3.172
  255    HA   SER  33           HA       SER  33   6.413 -14.673   5.525
  256    HG   SER  33           HG       SER  33   3.940 -16.362   3.507
  257    HB2  SER  33           2HB      SER  33   6.191 -16.332   2.995
  258    HB3  SER  33           3HB      SER  33   5.860 -16.836   4.662
  259    H    GLY  34           H        GLY  34   8.444 -14.205   2.689
  260    HA2  GLY  34           2HA      GLY  34  10.762 -15.321   4.191
  261    HA3  GLY  34           3HA      GLY  34  10.504 -15.706   2.481
  262    H    ALA  35           H        ALA  35   9.713 -12.510   3.854
  263    HA   ALA  35           HA       ALA  35  11.350 -11.123   1.939
  264    HB1  ALA  35           3HB      ALA  35   9.350 -10.073   2.843
  265    HB2  ALA  35           1HB      ALA  35   9.979 -10.227   4.503
  266    HB3  ALA  35           2HB      ALA  35  10.753  -9.120   3.351
  267    HA   PRO  36           HA       PRO  36  15.152 -11.188   4.305
  268    HB2  PRO  36           2HB      PRO  36  16.660  -9.346   2.997
  269    HB3  PRO  36           3HB      PRO  36  16.036 -10.795   2.165
  270    HG2  PRO  36           2HG      PRO  36  14.784  -8.022   2.200
  271    HG3  PRO  36           3HG      PRO  36  15.197  -9.025   0.769
  272    HD2  PRO  36           2HD      PRO  36  12.693  -9.019   1.876
  273    HD3  PRO  36           3HD      PRO  36  13.408 -10.495   1.163
  274    H    ALA  37           H        ALA  37  13.129  -9.967   5.811
  275    HA   ALA  37           HA       ALA  37  14.528  -7.756   7.182
  276    HB1  ALA  37           3HB      ALA  37  11.689  -7.564   6.087
  277    HB2  ALA  37           1HB      ALA  37  12.464  -6.382   7.166
  278    HB3  ALA  37           2HB      ALA  37  13.091  -6.626   5.520
  279    H    ALA  38           H        ALA  38  14.144  -7.769   9.318
  280    HA   ALA  38           HA       ALA  38  11.871  -9.084  10.537
  281    HB1  ALA  38           3HB      ALA  38  14.670 -10.227  11.039
  282    HB2  ALA  38           1HB      ALA  38  13.175 -10.731  11.857
  283    HB3  ALA  38           2HB      ALA  38  13.381 -11.050  10.128
  284    H    GLU  39           H        GLU  39  13.511  -6.500  10.367
  285    HA   GLU  39           HA       GLU  39  14.512  -5.868  12.981
  286    HB2  GLU  39           2HB      GLU  39  13.392  -4.029  10.806
  287    HB3  GLU  39           3HB      GLU  39  14.317  -3.535  12.222
  288    HG2  GLU  39           2HG      GLU  39  16.022  -3.554  10.736
  289    HG3  GLU  39           3HG      GLU  39  16.141  -5.225  11.265
  290    H    SER  40           H        SER  40  13.453  -4.254  14.463
  291    HA   SER  40           HA       SER  40  10.507  -4.444  14.547
  292    HG   SER  40           HG       SER  40  12.407  -6.784  15.312
  293    HB2  SER  40           2HB      SER  40  12.304  -5.133  16.897
  294    HB3  SER  40           3HB      SER  40  10.545  -5.253  16.835
  295    H    LYS  41           H        LYS  41   9.605  -2.975  16.219
  296    HA   LYS  41           HA       LYS  41  11.330  -1.033  17.481
  297    HB2  LYS  41           2HB      LYS  41  10.448   0.976  16.611
  298    HB3  LYS  41           3HB      LYS  41  10.951   0.027  15.222
  299    HG2  LYS  41           2HG      LYS  41   8.562  -0.594  14.800
  300    HG3  LYS  41           3HG      LYS  41   8.079   0.374  16.207
  301    HD2  LYS  41           2HD      LYS  41   9.171   2.380  15.112
  302    HD3  LYS  41           3HD      LYS  41   9.410   1.387  13.663
  303    HE2  LYS  41           2HE      LYS  41   6.896   1.000  13.617
  304    HE3  LYS  41           3HE      LYS  41   6.757   2.112  14.990
  305    HZ1  LYS  41           3HZ      LYS  41   7.825   3.815  13.508
  306    HZ2  LYS  41           1HZ      LYS  41   7.645   2.757  12.248
  307    HZ3  LYS  41           2HZ      LYS  41   6.345   3.330  12.987
  308    H    GLU  42           H        GLU  42   9.611   0.605  18.736
  309    HA   GLU  42           HA       GLU  42   7.418  -1.143  19.753
  310    HB2  GLU  42           2HB      GLU  42   9.110   0.781  21.398
  311    HB3  GLU  42           3HB      GLU  42   7.720  -0.152  21.944
  312    HG2  GLU  42           2HG      GLU  42   9.550  -1.334  22.761
  313    HG3  GLU  42           3HG      GLU  42   8.984  -2.269  21.384
  314    H    ILE  43           H        ILE  43   5.465  -0.131  20.116
  315    HA   ILE  43           HA       ILE  43   5.193   2.679  19.189
  316    HB   ILE  43           HB       ILE  43   3.186   1.914  17.914
  317   HG12  ILE  43          2HG1      ILE  43   4.296  -0.912  18.150
  318   HG13  ILE  43          3HG1      ILE  43   2.936  -0.324  19.103
  319   HG21  ILE  43          1HG2      ILE  43   5.778   0.655  16.937
  320   HG22  ILE  43          2HG2      ILE  43   4.428   1.251  15.945
  321   HG23  ILE  43          3HG2      ILE  43   5.411   2.388  16.876
  322   HD11  ILE  43          3HD1      ILE  43   2.135  -1.599  17.227
  323   HD12  ILE  43          1HD1      ILE  43   1.639   0.091  17.058
  324   HD13  ILE  43          2HD1      ILE  43   2.977  -0.552  16.073
  325    H    VAL  44           H        VAL  44   3.463   3.816  20.001
  326    HA   VAL  44           HA       VAL  44   2.208   2.692  22.475
  327    HB   VAL  44           HB       VAL  44   2.640   5.546  21.490
  328   HG11  VAL  44          1HG1      VAL  44   1.696   4.654  24.241
  329   HG12  VAL  44          2HG1      VAL  44   1.960   6.310  23.700
  330   HG13  VAL  44          3HG1      VAL  44   0.642   5.367  23.001
  331   HG21  VAL  44          3HG2      VAL  44   4.772   4.469  22.189
  332   HG22  VAL  44          1HG2      VAL  44   4.287   5.749  23.307
  333   HG23  VAL  44          2HG2      VAL  44   4.032   4.045  23.749
  334    H    ARG  45           H        ARG  45   0.032   2.254  22.395
  335    HA   ARG  45           HA       ARG  45  -1.677   3.480  20.271
  336    HE   ARG  45           HE       ARG  45  -0.333   3.389  18.642
  337    HB2  ARG  45           2HB      ARG  45  -1.640   0.574  21.221
  338    HB3  ARG  45           3HB      ARG  45  -2.792   1.248  20.086
  339    HG2  ARG  45           2HG      ARG  45   0.208   0.955  19.546
  340    HG3  ARG  45           3HG      ARG  45  -1.012  -0.206  19.112
  341    HD2  ARG  45           2HD      ARG  45  -0.833   0.869  17.125
  342    HD3  ARG  45           3HD      ARG  45  -2.161   1.800  17.829
  343   HH11  ARG  45          1HH2      ARG  45   0.030   1.746  15.482
  344   HH12  ARG  45          2HH2      ARG  45   1.494   2.626  15.126
  345   HH21  ARG  45          1HH1      ARG  45   1.562   4.352  18.173
  346   HH22  ARG  45          2HH1      ARG  45   2.320   4.149  16.599
  347    H    GLY  46           H        GLY  46  -3.803   4.027  21.158
  348    HA2  GLY  46           2HA      GLY  46  -4.754   2.680  23.495
  349    HA3  GLY  46           3HA      GLY  46  -4.096   4.257  23.944
  350    H    TYR  47           H        TYR  47  -6.892   2.867  23.591
  351    HA   TYR  47           HA       TYR  47  -8.273   5.288  22.673
  352    HD1  TYR  47           HD2      TYR  47  -8.240   5.722  19.657
  353    HD2  TYR  47           HD1      TYR  47  -6.846   1.766  20.652
  354    HE1  TYR  47           HE2      TYR  47  -6.475   5.907  17.916
  355    HE2  TYR  47           HE1      TYR  47  -5.093   1.931  18.915
  356    HH   TYR  47           HH       TYR  47  -4.155   3.259  17.241
  357    HB2  TYR  47           2HB      TYR  47  -8.951   2.575  21.513
  358    HB3  TYR  47           3HB      TYR  47  -9.614   4.141  21.054
  359    H    LYS  48           H        LYS  48 -10.257   5.500  23.706
  360    HA   LYS  48           HA       LYS  48 -10.612   3.975  26.085
  361    HB2  LYS  48           2HB      LYS  48 -12.390   5.501  26.592
  362    HB3  LYS  48           3HB      LYS  48 -11.070   6.397  25.850
  363    HG2  LYS  48           2HG      LYS  48 -12.360   6.238  23.633
  364    HG3  LYS  48           3HG      LYS  48 -13.722   5.617  24.563
  365    HD2  LYS  48           2HD      LYS  48 -12.351   8.318  24.884
  366    HD3  LYS  48           3HD      LYS  48 -13.922   8.045  24.150
  367    HE2  LYS  48           2HE      LYS  48 -13.232   7.528  27.085
  368    HE3  LYS  48           3HE      LYS  48 -14.013   8.980  26.468
  369    HZ1  LYS  48           3HZ      LYS  48 -15.874   7.612  25.728
  370    HZ2  LYS  48           1HZ      LYS  48 -15.172   6.251  26.324
  371    HZ3  LYS  48           2HZ      LYS  48 -15.638   7.448  27.331
  372    H    TRP  49           H        TRP  49 -11.903   3.281  22.919
  373    HA   TRP  49           HA       TRP  49 -14.397   2.192  23.785
  374    HD1  TRP  49           HD1      TRP  49 -12.775   3.782  19.917
  375    HE1  TRP  49           HE1      TRP  49 -10.642   3.179  18.654
  376    HE3  TRP  49           HE3      TRP  49 -11.972  -0.944  21.789
  377    HZ2  TRP  49           HZ2      TRP  49  -8.666   1.113  18.703
  378    HZ3  TRP  49           HZ3      TRP  49  -9.856  -2.115  21.311
  379    HH2  TRP  49           HH2      TRP  49  -8.150  -1.061  19.829
  380    HB2  TRP  49           2HB      TRP  49 -14.332   0.980  21.558
  381    HB3  TRP  49           3HB      TRP  49 -14.322   2.726  21.552
  382    H    ALA  50           H        ALA  50 -11.165   0.883  24.057
  383    HA   ALA  50           HA       ALA  50 -11.766  -1.860  23.886
  384    HB1  ALA  50           3HB      ALA  50  -9.582  -0.398  25.433
  385    HB2  ALA  50           1HB      ALA  50  -9.605  -2.133  25.050
  386    HB3  ALA  50           2HB      ALA  50  -9.524  -0.950  23.738
  387    H    GLU  51           H        GLU  51 -12.758  -3.236  25.202
  388    HA   GLU  51           HA       GLU  51 -13.898  -2.473  27.723
  389    HB2  GLU  51           2HB      GLU  51 -14.731  -4.280  26.131
  390    HB3  GLU  51           3HB      GLU  51 -13.380  -5.283  26.659
  391    HG2  GLU  51           2HG      GLU  51 -15.289  -5.974  27.906
  392    HG3  GLU  51           3HG      GLU  51 -14.266  -5.094  29.031
  393    H    TYR  52           H        TYR  52 -10.977  -4.251  26.759
  394    HA   TYR  52           HA       TYR  52  -9.674  -3.702  29.338
  395    HD1  TYR  52           HD2      TYR  52 -10.039  -5.212  31.598
  396    HD2  TYR  52           HD1      TYR  52 -11.978  -7.326  28.374
  397    HE1  TYR  52           HE2      TYR  52 -11.881  -5.850  33.128
  398    HE2  TYR  52           HE1      TYR  52 -13.816  -7.975  29.894
  399    HH   TYR  52           HH       TYR  52 -14.674  -7.833  32.057
  400    HB2  TYR  52           2HB      TYR  52  -9.772  -6.477  28.068
  401    HB3  TYR  52           3HB      TYR  52  -8.805  -6.017  29.458
  402    H    HIS  53           H        HIS  53  -7.304  -3.835  29.040
  403    HA   HIS  53           HA       HIS  53  -6.417  -2.597  26.732
  404    HD2  HIS  53           HD2      HIS  53  -4.248  -0.600  28.245
  405    HE1  HIS  53           HE1      HIS  53  -6.279  -0.992  31.963
  406    HE2  HIS  53           HE2      HIS  53  -4.921   0.591  30.457
  407    HB2  HIS  53           2HB      HIS  53  -4.815  -4.317  28.675
  408    HB3  HIS  53           3HB      HIS  53  -4.149  -3.116  27.565
  409    H    ALA  54           H        ALA  54  -6.613  -6.089  27.328
  410    HA   ALA  54           HA       ALA  54  -4.976  -6.995  25.224
  411    HB1  ALA  54           3HB      ALA  54  -5.838  -8.450  27.019
  412    HB2  ALA  54           1HB      ALA  54  -7.495  -8.265  26.386
  413    HB3  ALA  54           2HB      ALA  54  -6.256  -9.092  25.419
  414    H    ASP  55           H        ASP  55  -8.234  -5.565  25.098
  415    HA   ASP  55           HA       ASP  55  -8.915  -6.594  22.486
  416    HB2  ASP  55           2HB      ASP  55 -10.524  -5.587  24.210
  417    HB3  ASP  55           3HB      ASP  55  -9.877  -4.014  23.770
  418    H    ILE  56           H        ILE  56  -7.118  -3.749  23.702
  419    HA   ILE  56           HA       ILE  56  -6.893  -2.448  21.135
  420    HB   ILE  56           HB       ILE  56  -4.911  -2.194  23.433
  421   HG12  ILE  56          2HG1      ILE  56  -7.420  -0.518  23.077
  422   HG13  ILE  56          3HG1      ILE  56  -7.235  -1.801  24.286
  423   HG21  ILE  56          1HG2      ILE  56  -5.750  -0.319  21.165
  424   HG22  ILE  56          2HG2      ILE  56  -4.554   0.076  22.411
  425   HG23  ILE  56          3HG2      ILE  56  -4.224  -1.216  21.266
  426   HD11  ILE  56          3HD1      ILE  56  -5.668   0.787  24.195
  427   HD12  ILE  56          1HD1      ILE  56  -6.865   0.272  25.383
  428   HD13  ILE  56          2HD1      ILE  56  -5.308  -0.575  25.286
  429    H    TYR  57           H        TYR  57  -4.760  -4.642  23.069
  430    HA   TYR  57           HA       TYR  57  -2.691  -4.846  21.177
  431    HD1  TYR  57           HD1      TYR  57  -0.508  -6.009  21.393
  432    HD2  TYR  57           HD2      TYR  57  -3.151  -9.053  22.931
  433    HE1  TYR  57           HE1      TYR  57   0.976  -7.754  20.479
  434    HE2  TYR  57           HE2      TYR  57  -1.643 -10.809  22.050
  435    HH   TYR  57           HH       TYR  57   1.307 -10.065  20.133
  436    HB2  TYR  57           2HB      TYR  57  -2.370  -5.676  23.406
  437    HB3  TYR  57           3HB      TYR  57  -3.710  -6.806  23.251
  438    H    ASP  58           H        ASP  58  -5.676  -6.889  21.425
  439    HA   ASP  58           HA       ASP  58  -5.034  -8.561  19.235
  440    HB2  ASP  58           2HB      ASP  58  -6.768  -9.122  20.849
  441    HB3  ASP  58           3HB      ASP  58  -7.732  -7.725  20.358
  442    H    LYS  59           H        LYS  59  -6.961  -5.509  19.334
  443    HA   LYS  59           HA       LYS  59  -7.713  -5.468  16.611
  444    HB2  LYS  59           2HB      LYS  59  -8.646  -4.100  18.447
  445    HB3  LYS  59           3HB      LYS  59  -7.173  -3.146  18.532
  446    HG2  LYS  59           2HG      LYS  59  -8.904  -3.309  16.029
  447    HG3  LYS  59           3HG      LYS  59  -9.232  -2.194  17.355
  448    HD2  LYS  59           2HD      LYS  59  -6.962  -1.180  17.061
  449    HD3  LYS  59           3HD      LYS  59  -6.733  -2.194  15.616
  450    HE2  LYS  59           2HE      LYS  59  -8.787  -1.225  14.613
  451    HE3  LYS  59           3HE      LYS  59  -9.005  -0.205  16.039
  452    HZ1  LYS  59           3HZ      LYS  59  -6.697  -0.068  14.174
  453    HZ2  LYS  59           1HZ      LYS  59  -7.933   0.997  14.244
  454    HZ3  LYS  59           2HZ      LYS  59  -6.896   0.882  15.499
  455    H    VAL  60           H        VAL  60  -4.850  -4.033  18.235
  456    HA   VAL  60           HA       VAL  60  -3.710  -2.926  15.857
  457    HB   VAL  60           HB       VAL  60  -2.547  -3.686  18.567
  458   HG11  VAL  60          1HG1      VAL  60  -0.702  -3.524  16.919
  459   HG12  VAL  60          2HG1      VAL  60  -1.288  -1.925  16.414
  460   HG13  VAL  60          3HG1      VAL  60  -0.656  -2.184  18.052
  461   HG21  VAL  60          3HG2      VAL  60  -3.223  -0.911  17.479
  462   HG22  VAL  60          1HG2      VAL  60  -4.377  -1.852  18.427
  463   HG23  VAL  60          2HG2      VAL  60  -2.855  -1.391  19.158
  464    H    SER  61           H        SER  61  -3.147  -6.109  17.546
  465    HA   SER  61           HA       SER  61  -1.143  -7.012  15.764
  466    HG   SER  61           HG       SER  61  -2.130  -7.445  18.716
  467    HB2  SER  61           2HB      SER  61  -3.237  -8.657  17.251
  468    HB3  SER  61           3HB      SER  61  -1.708  -9.252  16.572
  469    H    GLY  62           H        GLY  62  -4.723  -7.114  15.458
  470    HA2  GLY  62           2HA      GLY  62  -4.856  -8.691  13.085
  471    HA3  GLY  62           3HA      GLY  62  -6.035  -7.478  13.627
  472    H    ASP  63           H        ASP  63  -4.618  -5.100  13.570
  473    HA   ASP  63           HA       ASP  63  -4.683  -4.464  10.803
  474    HB2  ASP  63           2HB      ASP  63  -5.059  -2.813  12.634
  475    HB3  ASP  63           3HB      ASP  63  -3.337  -2.871  13.019
  476    H    MET  64           H        MET  64  -1.864  -4.967  13.023
  477    HA   MET  64           HA       MET  64   0.086  -4.336  11.088
  478    HB2  MET  64           2HB      MET  64   0.110  -5.860  13.694
  479    HB3  MET  64           3HB      MET  64   1.490  -6.017  12.610
  480    HG2  MET  64           2HG      MET  64   2.019  -4.203  14.027
  481    HG3  MET  64           3HG      MET  64   1.631  -3.514  12.460
  482    HE1  MET  64           3HE      MET  64   0.048  -1.616  12.146
  483    HE2  MET  64           1HE      MET  64  -0.540  -0.701  13.559
  484    HE3  MET  64           2HE      MET  64   1.201  -1.021  13.379
  485    H    GLN  65           H        GLN  65  -1.579  -7.459  11.723
  486    HA   GLN  65           HA       GLN  65   0.100  -8.964   9.935
  487    HB2  GLN  65           2HB      GLN  65  -2.702  -9.345  11.036
  488    HB3  GLN  65           3HB      GLN  65  -1.988 -10.482   9.888
  489    HG2  GLN  65           2HG      GLN  65  -0.132 -10.971  11.355
  490    HG3  GLN  65           3HG      GLN  65  -0.590  -9.691  12.474
  491   HE21  GLN  65          2HE2      GLN  65  -2.615  -9.906  13.657
  492   HE22  GLN  65          1HE2      GLN  65  -3.259 -11.507  14.029
  493    H    LYS  66           H        LYS  66  -2.817  -6.926   9.396
  494    HA   LYS  66           HA       LYS  66  -3.021  -7.611   6.607
  495    HB2  LYS  66           2HB      LYS  66  -3.989  -5.131   8.096
  496    HB3  LYS  66           3HB      LYS  66  -4.369  -5.517   6.419
  497    HG2  LYS  66           2HG      LYS  66  -5.508  -7.579   7.109
  498    HG3  LYS  66           3HG      LYS  66  -5.091  -7.260   8.803
  499    HD2  LYS  66           2HD      LYS  66  -6.307  -5.046   8.614
  500    HD3  LYS  66           3HD      LYS  66  -6.892  -5.550   7.024
  501    HE2  LYS  66           2HE      LYS  66  -7.308  -7.065   9.638
  502    HE3  LYS  66           3HE      LYS  66  -8.480  -5.932   8.952
  503    HZ1  LYS  66           3HZ      LYS  66  -7.603  -8.455   7.665
  504    HZ2  LYS  66           1HZ      LYS  66  -9.049  -8.193   8.378
  505    HZ3  LYS  66           2HZ      LYS  66  -8.662  -7.384   7.014
  506    H    GLN  67           H        GLN  67  -1.008  -5.285   8.398
  507    HA   GLN  67           HA       GLN  67  -0.119  -3.901   6.022
  508    HB2  GLN  67           2HB      GLN  67   1.404  -4.144   8.655
  509    HB3  GLN  67           3HB      GLN  67   1.687  -2.990   7.369
  510    HG2  GLN  67           2HG      GLN  67  -0.678  -3.094   9.253
  511    HG3  GLN  67           3HG      GLN  67   0.613  -1.919   9.248
  512   HE21  GLN  67          2HE2      GLN  67  -2.191  -1.319   9.175
  513   HE22  GLN  67          1HE2      GLN  67  -2.513  -0.511   7.647
  514    H    GLY  68           H        GLY  68   1.433  -6.284   8.132
  515    HA2  GLY  68           2HA      GLY  68   2.584  -8.234   6.852
  516    HA3  GLY  68           3HA      GLY  68   3.481  -6.914   6.068
  517    H    CYS  69           H        CYS  69   2.341  -7.421   9.479
  518    HA   CYS  69           HA       CYS  69   5.080  -7.494  10.527
  519    HG   CYS  69           HG       CYS  69   4.861  -5.210   8.989
  520    HB2  CYS  69           2HB      CYS  69   3.012  -5.320  11.096
  521    HB3  CYS  69           3HB      CYS  69   4.356  -5.674  12.197
  522    H    ASP  70           H        ASP  70   4.859  -7.797  12.997
  523    HA   ASP  70           HA       ASP  70   2.362  -9.146  13.873
  524    HB2  ASP  70           2HB      ASP  70   3.859 -10.942  13.102
  525    HB3  ASP  70           3HB      ASP  70   5.176 -10.288  14.083
  526    H    CYS  71           H        CYS  71   2.401  -9.316  16.359
  527    HA   CYS  71           HA       CYS  71   3.853  -6.970  17.516
  528    HG   CYS  71           HG       CYS  71   0.446  -5.159  16.617
  529    HB2  CYS  71           2HB      CYS  71   0.873  -7.578  17.459
  530    HB3  CYS  71           3HB      CYS  71   1.593  -6.450  18.606
  531    H    GLU  72           H        GLU  72   4.107  -6.929  19.719
  532    HA   GLU  72           HA       GLU  72   3.275  -9.220  21.415
  533    HB2  GLU  72           2HB      GLU  72   5.504  -9.719  20.559
  534    HB3  GLU  72           3HB      GLU  72   6.057  -8.079  20.910
  535    HG2  GLU  72           2HG      GLU  72   5.729  -8.506  23.348
  536    HG3  GLU  72           3HG      GLU  72   5.206 -10.152  22.971
  537    H    CYS  73           H        CYS  73   2.038  -8.151  22.963
  538    HA   CYS  73           HA       CYS  73   2.321  -5.381  23.683
  539    HG   CYS  73           HG       CYS  73  -0.407  -8.422  25.573
  540    HB2  CYS  73           2HB      CYS  73   0.969  -6.263  25.733
  541    HB3  CYS  73           3HB      CYS  73   0.211  -6.291  24.136
  542    H    LEU  74           H        LEU  74   3.787  -4.438  24.988
  543    HA   LEU  74           HA       LEU  74   5.636  -6.149  26.573
  544    HG   LEU  74           HG       LEU  74   6.307  -4.278  23.958
  545    HB2  LEU  74           2HB      LEU  74   5.679  -3.152  26.029
  546    HB3  LEU  74           3HB      LEU  74   6.878  -4.067  26.937
  547   HD11  LEU  74          1HD1      LEU  74   8.761  -3.382  25.540
  548   HD12  LEU  74          2HD1      LEU  74   8.647  -3.474  23.772
  549   HD13  LEU  74          3HD1      LEU  74   7.641  -2.325  24.659
  550   HD21  LEU  74          3HD2      LEU  74   8.257  -5.868  23.896
  551   HD22  LEU  74          1HD2      LEU  74   8.208  -5.945  25.669
  552   HD23  LEU  74          2HD2      LEU  74   6.840  -6.537  24.696
  553    H    GLY  75           H        GLY  75   2.909  -3.912  26.906
  554    HA2  GLY  75           2HA      GLY  75   2.190  -4.705  29.473
  555    HA3  GLY  75           3HA      GLY  75   3.278  -3.338  29.683
  556    H    GLY  76           H        GLY  76   0.752  -2.938  30.556
  557    HA2  GLY  76           2HA      GLY  76  -0.507  -1.138  28.545
  558    HA3  GLY  76           3HA      GLY  76  -1.479  -2.260  29.480
  559    H    GLY  77           H        GLY  77  -1.958   0.455  29.617
  560    HA2  GLY  77           2HA      GLY  77  -1.770   1.092  32.410
  561    HA3  GLY  77           3HA      GLY  77  -0.634   2.049  31.439
  562    H    ARG  78           H        ARG  78  -2.018   3.928  32.092
  563    HA   ARG  78           HA       ARG  78  -4.231   4.311  30.159
  564    HE   ARG  78           HE       ARG  78  -6.970   4.800  34.804
  565    HB2  ARG  78           2HB      ARG  78  -4.431   4.892  33.153
  566    HB3  ARG  78           3HB      ARG  78  -5.565   5.472  31.926
  567    HG2  ARG  78           2HG      ARG  78  -6.008   3.067  31.289
  568    HG3  ARG  78           3HG      ARG  78  -5.050   2.568  32.680
  569    HD2  ARG  78           2HD      ARG  78  -7.612   4.220  32.704
  570    HD3  ARG  78           3HD      ARG  78  -7.478   2.522  33.143
  571   HH11  ARG  78          1HH2      ARG  78  -5.797   1.445  34.346
  572   HH12  ARG  78          2HH2      ARG  78  -5.216   1.344  35.989
  573   HH21  ARG  78          1HH1      ARG  78  -6.379   4.493  36.968
  574   HH22  ARG  78          2HH1      ARG  78  -5.718   2.959  37.505
  575    H    ILE  79           H        ILE  79  -4.678   6.537  29.780
  576    HA   ILE  79           HA       ILE  79  -2.520   8.441  30.509
  577    HB   ILE  79           HB       ILE  79  -3.812   8.100  27.770
  578   HG12  ILE  79          2HG1      ILE  79  -1.013   7.356  28.692
  579   HG13  ILE  79          3HG1      ILE  79  -2.279   6.279  28.124
  580   HG21  ILE  79          1HG2      ILE  79  -3.250  10.465  28.281
  581   HG22  ILE  79          2HG2      ILE  79  -1.576   9.991  28.641
  582   HG23  ILE  79          3HG2      ILE  79  -2.241   9.848  26.999
  583   HD11  ILE  79          3HD1      ILE  79  -0.768   8.275  26.413
  584   HD12  ILE  79          1HD1      ILE  79  -0.628   6.518  26.399
  585   HD13  ILE  79          2HD1      ILE  79  -2.138   7.279  25.860
  586    H    SER  80           H        SER  80  -3.393  10.557  30.827
  587    HA   SER  80           HA       SER  80  -6.370  10.798  30.611
  588    HG   SER  80           HG       SER  80  -4.579  10.219  33.165
  589    HB2  SER  80           2HB      SER  80  -4.632  12.374  32.526
  590    HB3  SER  80           3HB      SER  80  -6.406  12.275  32.448
  591    H    HIS  81           H        HIS  81  -6.920  12.090  29.000
  592    HA   HIS  81           HA       HIS  81  -4.992  13.504  27.438
  593    HD1  HIS  81           HD1      HIS  81  -8.844  15.394  25.770
  594    HD2  HIS  81           HD2      HIS  81  -5.082  13.743  24.812
  595    HE1  HIS  81           HE1      HIS  81  -8.065  16.542  23.620
  596    HB2  HIS  81           2HB      HIS  81  -7.084  12.403  26.617
  597    HB3  HIS  81           3HB      HIS  81  -8.020  13.649  27.447
  598    H    GLN  82           H        GLN  82  -4.991  15.825  26.992
  599    HA   GLN  82           HA       GLN  82  -5.053  17.584  29.228
  600    HB2  GLN  82           2HB      GLN  82  -3.540  17.858  27.347
  601    HB3  GLN  82           3HB      GLN  82  -4.881  17.944  26.209
  602    HG2  GLN  82           2HG      GLN  82  -3.881  20.113  26.508
  603    HG3  GLN  82           3HG      GLN  82  -5.534  20.135  27.092
  604   HE21  GLN  82          2HE2      GLN  82  -2.089  19.846  28.224
  605   HE22  GLN  82          1HE2      GLN  82  -2.391  20.738  29.699
  606    H    SER  83           H        SER  83  -6.488  19.280  29.677
  607    HA   SER  83           HA       SER  83  -9.171  19.282  28.383
  608    HG   SER  83           HG       SER  83  -9.621  17.057  31.180
  609    HB2  SER  83           2HB      SER  83  -8.671  19.129  31.386
  610    HB3  SER  83           3HB      SER  83 -10.244  19.173  30.574
  611    H    GLN  84           H        GLN  84  -6.771  21.100  28.380
  612    HA   GLN  84           HA       GLN  84  -6.087  23.186  28.674
  613    HB2  GLN  84           2HB      GLN  84  -8.210  23.538  27.290
  614    HB3  GLN  84           3HB      GLN  84  -8.992  24.074  28.781
  615    HG2  GLN  84           2HG      GLN  84  -7.215  25.857  28.998
  616    HG3  GLN  84           3HG      GLN  84  -6.509  25.295  27.483
  617   HE21  GLN  84          2HE2      GLN  84  -9.348  26.890  28.948
  618   HE22  GLN  84          1HE2      GLN  84  -9.969  27.556  27.454
  619    H    ASP  85           H        ASP  85  -5.867  21.688  30.845
  620    HA   ASP  85           HA       ASP  85  -6.351  23.425  33.166
  621    HB2  ASP  85           2HB      ASP  85  -8.554  22.379  32.953
  622    HB3  ASP  85           3HB      ASP  85  -7.819  20.778  32.861
  623    H    LYS  86           H        LYS  86  -5.395  20.112  32.029
  624    HA   LYS  86           HA       LYS  86  -3.021  20.221  33.765
  625    HB2  LYS  86           2HB      LYS  86  -5.210  18.107  33.958
  626    HB3  LYS  86           3HB      LYS  86  -3.529  17.737  34.349
  627    HG2  LYS  86           2HG      LYS  86  -3.492  19.552  36.036
  628    HG3  LYS  86           3HG      LYS  86  -5.201  19.868  35.743
  629    HD2  LYS  86           2HD      LYS  86  -4.026  17.232  36.720
  630    HD3  LYS  86           3HD      LYS  86  -4.758  18.445  37.760
  631    HE2  LYS  86           2HE      LYS  86  -6.234  16.998  35.510
  632    HE3  LYS  86           3HE      LYS  86  -6.231  16.479  37.194
  633    HZ1  LYS  86           3HZ      LYS  86  -8.178  17.788  36.707
  634    HZ2  LYS  86           1HZ      LYS  86  -7.262  18.590  37.792
  635    HZ3  LYS  86           2HZ      LYS  86  -7.304  19.082  36.222
  636    H    LYS  87           H        LYS  87  -1.331  19.267  32.793
  637    HA   LYS  87           HA       LYS  87  -1.326  18.711  30.034
  638    HB2  LYS  87           2HB      LYS  87   0.985  17.700  30.562
  639    HB3  LYS  87           3HB      LYS  87   0.697  19.403  30.841
  640    HG2  LYS  87           2HG      LYS  87   2.045  18.492  32.591
  641    HG3  LYS  87           3HG      LYS  87   0.528  19.069  33.252
  642    HD2  LYS  87           2HD      LYS  87  -0.265  16.699  33.383
  643    HD3  LYS  87           3HD      LYS  87   1.297  16.154  32.755
  644    HE2  LYS  87           2HE      LYS  87   0.796  17.725  35.335
  645    HE3  LYS  87           3HE      LYS  87   1.079  15.984  35.237
  646    HZ1  LYS  87           3HZ      LYS  87   3.040  18.106  34.528
  647    HZ2  LYS  87           1HZ      LYS  87   3.087  17.124  35.833
  648    HZ3  LYS  87           2HZ      LYS  87   3.289  16.475  34.344
  649    H    ILE  88           H        ILE  88  -0.833  16.870  28.822
  650    HA   ILE  88           HA       ILE  88  -2.281  14.518  29.548
  651    HB   ILE  88           HB       ILE  88  -1.037  13.407  27.700
  652   HG12  ILE  88          2HG1      ILE  88   0.361  16.102  27.364
  653   HG13  ILE  88          3HG1      ILE  88   1.105  14.554  27.747
  654   HG21  ILE  88          1HG2      ILE  88  -2.207  16.090  26.894
  655   HG22  ILE  88          2HG2      ILE  88  -2.249  14.564  25.981
  656   HG23  ILE  88          3HG2      ILE  88  -3.162  14.703  27.476
  657   HD11  ILE  88          3HD1      ILE  88  -0.247  15.336  25.128
  658   HD12  ILE  88          1HD1      ILE  88   1.463  15.014  25.392
  659   HD13  ILE  88          2HD1      ILE  88   0.290  13.685  25.512
  660    H    HIS  89           H        HIS  89  -1.696  12.690  30.659
  661    HA   HIS  89           HA       HIS  89   1.035  12.430  31.740
  662    HD1  HIS  89           HD1      HIS  89   2.211  13.726  34.316
  663    HD2  HIS  89           HD2      HIS  89  -0.723  10.867  35.307
  664    HE1  HIS  89           HE1      HIS  89   3.040  12.526  36.407
  665    HB2  HIS  89           2HB      HIS  89  -0.284  14.029  33.209
  666    HB3  HIS  89           3HB      HIS  89  -1.436  12.730  33.505
  667    H    VAL  90           H        VAL  90   1.308  10.309  32.767
  668    HA   VAL  90           HA       VAL  90  -0.645   8.288  31.763
  669    HB   VAL  90           HB       VAL  90   2.394   8.197  31.663
  670   HG11  VAL  90          1HG1      VAL  90   0.323   6.388  30.378
  671   HG12  VAL  90          2HG1      VAL  90   2.084   6.266  30.181
  672   HG13  VAL  90          3HG1      VAL  90   1.352   5.965  31.762
  673   HG21  VAL  90          3HG2      VAL  90   1.742   9.879  30.067
  674   HG22  VAL  90          1HG2      VAL  90   2.083   8.407  29.159
  675   HG23  VAL  90          2HG2      VAL  90   0.403   8.887  29.471
  676    H    TYR  91           H        TYR  91  -1.019   6.497  33.108
  677    HA   TYR  91           HA       TYR  91   0.566   6.003  35.460
  678    HD1  TYR  91           HD1      TYR  91  -2.901   7.857  34.159
  679    HD2  TYR  91           HD2      TYR  91  -2.855   6.162  38.134
  680    HE1  TYR  91           HE1      TYR  91  -5.366   7.694  34.113
  681    HE2  TYR  91           HE2      TYR  91  -5.311   6.022  38.108
  682    HH   TYR  91           HH       TYR  91  -7.293   7.107  35.336
  683    HB2  TYR  91           2HB      TYR  91  -0.845   6.744  37.154
  684    HB3  TYR  91           3HB      TYR  91  -0.865   8.095  36.055
  685    H    GLY  92           H        GLY  92  -0.974   4.395  36.957
  686    HA2  GLY  92           2HA      GLY  92  -2.194   2.485  37.083
  687    HA3  GLY  92           3HA      GLY  92  -2.874   2.811  35.490
  688    H    TYR  93           H        TYR  93  -2.478   0.296  35.829
  689    HA   TYR  93           HA       TYR  93  -0.531  -0.275  33.817
  690    HD1  TYR  93           HD2      TYR  93   0.105   0.148  37.861
  691    HD2  TYR  93           HD1      TYR  93  -0.081  -3.877  36.317
  692    HE1  TYR  93           HE2      TYR  93  -0.104  -0.724  40.172
  693    HE2  TYR  93           HE1      TYR  93  -0.310  -4.757  38.614
  694    HH   TYR  93           HH       TYR  93  -0.388  -4.232  40.889
  695    HB2  TYR  93           2HB      TYR  93   0.678  -2.071  34.929
  696    HB3  TYR  93           3HB      TYR  93   1.024  -0.502  35.600
  697    H    SER  94           H        SER  94  -0.686  -2.943  33.539
  698    HA   SER  94           HA       SER  94  -3.566  -3.681  33.808
  699    HG   SER  94           HG       SER  94  -3.985  -2.352  31.135
  700    HB2  SER  94           2HB      SER  94  -1.842  -4.014  31.319
  701    HB3  SER  94           3HB      SER  94  -3.571  -4.374  31.487
  702    H    MET  95           H        MET  95  -3.534  -5.470  35.085
  703    HA   MET  95           HA       MET  95  -1.258  -7.123  35.499
  704    HB2  MET  95           2HB      MET  95  -4.224  -7.555  36.032
  705    HB3  MET  95           3HB      MET  95  -2.972  -8.692  36.551
  706    HG2  MET  95           2HG      MET  95  -1.882  -7.002  37.906
  707    HG3  MET  95           3HG      MET  95  -2.986  -5.762  37.325
  708    HE1  MET  95           3HE      MET  95  -4.081  -5.912  41.018
  709    HE2  MET  95           1HE      MET  95  -2.438  -5.997  40.345
  710    HE3  MET  95           2HE      MET  95  -3.631  -4.878  39.645
  711    H    ALA  96           H        ALA  96  -3.392  -7.083  32.802
  712    HA   ALA  96           HA       ALA  96  -3.294  -9.726  31.858
  713    HB1  ALA  96           3HB      ALA  96  -4.609  -7.916  30.801
  714    HB2  ALA  96           1HB      ALA  96  -3.101  -7.110  30.294
  715    HB3  ALA  96           2HB      ALA  96  -3.530  -8.695  29.628
  716    H    TYR  97           H        TYR  97  -0.689  -7.251  31.956
  717    HA   TYR  97           HA       TYR  97   1.220  -9.344  31.169
  718    HD1  TYR  97           HD1      TYR  97   0.118  -5.324  29.735
  719    HD2  TYR  97           HD2      TYR  97  -0.388  -9.173  27.867
  720    HE1  TYR  97           HE1      TYR  97  -1.634  -4.369  28.273
  721    HE2  TYR  97           HE2      TYR  97  -2.206  -8.245  26.450
  722    HH   TYR  97           HH       TYR  97  -3.043  -4.767  26.443
  723    HB2  TYR  97           2HB      TYR  97   2.001  -7.082  29.617
  724    HB3  TYR  97           3HB      TYR  97   1.618  -8.696  29.103
  725    H    GLY  98           H        GLY  98   0.703  -5.966  32.312
  726    HA2  GLY  98           2HA      GLY  98   2.259  -5.654  34.383
  727    HA3  GLY  98           3HA      GLY  98   3.529  -5.767  33.150
  728    HA   PRO  99           HA       PRO  99   2.015  -1.292  33.248
  729    HB2  PRO  99           2HB      PRO  99   4.440  -0.146  33.862
  730    HB3  PRO  99           3HB      PRO  99   3.268  -0.671  35.106
  731    HG2  PRO  99           2HG      PRO  99   5.695  -2.162  34.084
  732    HG3  PRO  99           3HG      PRO  99   5.173  -1.915  35.781
  733    HD2  PRO  99           2HD      PRO  99   4.636  -4.211  34.416
  734    HD3  PRO  99           3HD      PRO  99   3.466  -3.532  35.586
  735    H    ALA 100           H        ALA 100   2.259  -0.068  31.411
  736    HA   ALA 100           HA       ALA 100   3.609  -1.136  29.096
  737    HB1  ALA 100           3HB      ALA 100   2.615   0.875  28.039
  738    HB2  ALA 100           1HB      ALA 100   1.432   0.022  29.022
  739    HB3  ALA 100           2HB      ALA 100   2.205   1.485  29.661
  740    H    GLN 101           H        GLN 101   5.529  -0.608  30.979
  741    HA   GLN 101           HA       GLN 101   7.308   0.758  31.755
  742    HB2  GLN 101           2HB      GLN 101   7.596   0.027  28.844
  743    HB3  GLN 101           3HB      GLN 101   8.959   0.461  29.896
  744    HG2  GLN 101           2HG      GLN 101   9.101  -1.806  30.057
  745    HG3  GLN 101           3HG      GLN 101   8.007  -1.507  31.401
  746   HE21  GLN 101          2HE2      GLN 101   7.767  -4.004  30.800
  747   HE22  GLN 101          1HE2      GLN 101   6.420  -4.344  29.721
  748    H    HIS 102           H        HIS 102   5.553   2.543  31.723
  749    HA   HIS 102           HA       HIS 102   5.015   4.378  29.922
  750    HD1  HIS 102           HD1      HIS 102   4.504   3.294  34.368
  751    HD2  HIS 102           HD2      HIS 102   2.372   3.744  30.777
  752    HE1  HIS 102           HE1      HIS 102   2.571   1.632  34.448
  753    HB2  HIS 102           2HB      HIS 102   5.439   5.157  32.813
  754    HB3  HIS 102           3HB      HIS 102   4.261   5.811  31.677
  755    H    ALA 103           H        ALA 103   8.209   4.480  31.505
  756    HA   ALA 103           HA       ALA 103   8.817   7.192  30.834
  757    HB1  ALA 103           3HB      ALA 103  10.204   5.820  32.368
  758    HB2  ALA 103           1HB      ALA 103  10.670   4.771  31.007
  759    HB3  ALA 103           2HB      ALA 103  11.167   6.475  31.028
  760    H    ILE 104           H        ILE 104   8.932   4.172  28.924
  761    HA   ILE 104           HA       ILE 104  10.321   5.260  26.649
  762    HB   ILE 104           HB       ILE 104   8.393   2.900  26.903
  763   HG12  ILE 104          2HG1      ILE 104  11.447   2.967  26.971
  764   HG13  ILE 104          3HG1      ILE 104  10.399   2.700  28.364
  765   HG21  ILE 104          1HG2      ILE 104  10.369   3.542  24.671
  766   HG22  ILE 104          2HG2      ILE 104   9.352   2.088  24.782
  767   HG23  ILE 104          3HG2      ILE 104   8.597   3.652  24.561
  768   HD11  ILE 104          3HD1      ILE 104  11.225   0.578  27.694
  769   HD12  ILE 104          1HD1      ILE 104   9.505   0.630  27.268
  770   HD13  ILE 104          2HD1      ILE 104  10.752   0.822  26.008
  771    H    SER 105           H        SER 105   6.813   4.593  27.303
  772    HA   SER 105           HA       SER 105   5.903   5.775  24.949
  773    HG   SER 105           HG       SER 105   5.023   3.559  25.754
  774    HB2  SER 105           2HB      SER 105   4.353   5.671  27.548
  775    HB3  SER 105           3HB      SER 105   3.728   5.539  25.893
  776    H    THR 106           H        THR 106   6.444   7.343  28.182
  777    HA   THR 106           HA       THR 106   5.063   9.720  27.399
  778    HB   THR 106           HB       THR 106   6.409  10.784  29.299
  779    HG1  THR 106           1HG      THR 106   7.004   8.071  29.861
  780   HG21  THR 106          3HG2      THR 106   4.094   9.885  29.512
  781   HG22  THR 106          1HG2      THR 106   4.750   8.317  29.981
  782   HG23  THR 106          2HG2      THR 106   5.041   9.753  30.993
  783    H    GLU 107           H        GLU 107   8.551   8.784  27.059
  784    HA   GLU 107           HA       GLU 107   9.317  11.301  25.993
  785    HB2  GLU 107           2HB      GLU 107  10.423   8.493  25.622
  786    HB3  GLU 107           3HB      GLU 107  11.148   9.920  24.867
  787    HG2  GLU 107           2HG      GLU 107  11.406  10.984  27.105
  788    HG3  GLU 107           3HG      GLU 107  10.795   9.522  27.868
  789    H    LYS 108           H        LYS 108   8.000   8.380  24.434
  790    HA   LYS 108           HA       LYS 108   8.258   9.319  21.727
  791    HB2  LYS 108           2HB      LYS 108   6.502   7.257  23.109
  792    HB3  LYS 108           3HB      LYS 108   6.383   7.576  21.369
  793    HG2  LYS 108           2HG      LYS 108   8.700   6.972  21.018
  794    HG3  LYS 108           3HG      LYS 108   8.963   6.751  22.752
  795    HD2  LYS 108           2HD      LYS 108   7.452   4.877  22.848
  796    HD3  LYS 108           3HD      LYS 108   6.892   5.135  21.188
  797    HE2  LYS 108           2HE      LYS 108   9.828   4.660  21.771
  798    HE3  LYS 108           3HE      LYS 108   8.715   3.288  21.677
  799    HZ1  LYS 108           3HZ      LYS 108   9.905   4.149  19.539
  800    HZ2  LYS 108           1HZ      LYS 108   8.366   3.607  19.464
  801    HZ3  LYS 108           2HZ      LYS 108   8.629   5.204  19.468
  802    H    ILE 109           H        ILE 109   5.482   9.480  24.021
  803    HA   ILE 109           HA       ILE 109   3.738  10.930  22.290
  804    HB   ILE 109           HB       ILE 109   3.956  10.744  25.309
  805   HG12  ILE 109          2HG1      ILE 109   1.876   9.391  23.536
  806   HG13  ILE 109          3HG1      ILE 109   3.400   8.615  23.910
  807   HG21  ILE 109          1HG2      ILE 109   1.496  11.703  23.773
  808   HG22  ILE 109          2HG2      ILE 109   1.710  11.629  25.528
  809   HG23  ILE 109          3HG2      ILE 109   2.624  12.798  24.592
  810   HD11  ILE 109          3HD1      ILE 109   2.898   8.798  26.357
  811   HD12  ILE 109          1HD1      ILE 109   1.302   9.463  25.948
  812   HD13  ILE 109          2HD1      ILE 109   1.725   7.818  25.463
  813    H    LYS 110           H        LYS 110   6.229  12.033  24.669
  814    HA   LYS 110           HA       LYS 110   5.775  14.816  24.418
  815    HB2  LYS 110           2HB      LYS 110   7.092  13.669  26.172
  816    HB3  LYS 110           3HB      LYS 110   8.354  13.287  24.998
  817    HG2  LYS 110           2HG      LYS 110   8.734  15.754  24.697
  818    HG3  LYS 110           3HG      LYS 110   7.553  16.051  25.971
  819    HD2  LYS 110           2HD      LYS 110  10.173  14.504  26.193
  820    HD3  LYS 110           3HD      LYS 110   9.890  16.112  26.837
  821    HE2  LYS 110           2HE      LYS 110   8.323  13.659  27.775
  822    HE3  LYS 110           3HE      LYS 110   9.877  14.104  28.468
  823    HZ1  LYS 110           3HZ      LYS 110   7.652  16.047  28.416
  824    HZ2  LYS 110           1HZ      LYS 110   7.816  14.955  29.634
  825    HZ3  LYS 110           2HZ      LYS 110   9.003  16.057  29.340
  826    H    ALA 111           H        ALA 111   7.880  12.644  22.436
  827    HA   ALA 111           HA       ALA 111   8.870  14.732  20.778
  828    HB1  ALA 111           3HB      ALA 111   9.866  12.471  20.874
  829    HB2  ALA 111           1HB      ALA 111   8.411  11.786  20.115
  830    HB3  ALA 111           2HB      ALA 111   9.435  12.919  19.212
  831    H    LYS 112           H        LYS 112   5.904  12.716  20.581
  832    HA   LYS 112           HA       LYS 112   5.266  13.629  17.938
  833    HB2  LYS 112           2HB      LYS 112   4.668  11.389  18.863
  834    HB3  LYS 112           3HB      LYS 112   3.565  12.155  19.994
  835    HG2  LYS 112           2HG      LYS 112   2.347  11.201  18.102
  836    HG3  LYS 112           3HG      LYS 112   2.133  12.935  18.171
  837    HD2  LYS 112           2HD      LYS 112   2.386  12.164  15.874
  838    HD3  LYS 112           3HD      LYS 112   3.697  13.259  16.308
  839    HE2  LYS 112           2HE      LYS 112   5.192  11.287  16.701
  840    HE3  LYS 112           3HE      LYS 112   3.864  10.209  16.251
  841    HZ1  LYS 112           3HZ      LYS 112   3.888  11.210  14.039
  842    HZ2  LYS 112           1HZ      LYS 112   5.107  12.222  14.459
  843    HZ3  LYS 112           2HZ      LYS 112   5.366  10.611  14.395
  844    H    TYR 113           H        TYR 113   4.113  14.725  21.176
  845    HA   TYR 113           HA       TYR 113   2.227  16.549  19.753
  846    HD1  TYR 113           HD2      TYR 113  -0.354  15.837  19.574
  847    HD2  TYR 113           HD1      TYR 113   1.807  12.877  21.841
  848    HE1  TYR 113           HE2      TYR 113  -1.549  14.046  18.356
  849    HE2  TYR 113           HE1      TYR 113   0.583  11.074  20.653
  850    HH   TYR 113           HH       TYR 113  -1.820  11.744  18.081
  851    HB2  TYR 113           2HB      TYR 113   1.982  15.183  22.449
  852    HB3  TYR 113           3HB      TYR 113   0.837  16.349  21.810
  853    HA   PRO 114           HA       PRO 114   4.327  19.913  21.527
  854    HB2  PRO 114           2HB      PRO 114   2.535  21.958  21.310
  855    HB3  PRO 114           3HB      PRO 114   3.210  21.111  19.885
  856    HG2  PRO 114           2HG      PRO 114   0.566  20.570  21.287
  857    HG3  PRO 114           3HG      PRO 114   0.849  20.842  19.535
  858    HD2  PRO 114           2HD      PRO 114   0.686  18.337  20.577
  859    HD3  PRO 114           3HD      PRO 114   1.846  18.722  19.270
  860    H    ASP 115           H        ASP 115   1.666  18.635  23.333
  861    HA   ASP 115           HA       ASP 115   1.962  20.491  25.597
  862    HB2  ASP 115           2HB      ASP 115  -0.220  19.432  25.132
  863    HB3  ASP 115           3HB      ASP 115   0.481  17.841  25.428
  864    H    TYR 116           H        TYR 116   4.333  20.150  25.291
  865    HA   TYR 116           HA       TYR 116   5.665  17.762  25.526
  866    HD1  TYR 116           HD2      TYR 116   6.984  17.987  23.585
  867    HD2  TYR 116           HD1      TYR 116   6.658  22.140  24.719
  868    HE1  TYR 116           HE2      TYR 116   7.125  18.638  21.211
  869    HE2  TYR 116           HE1      TYR 116   6.799  22.803  22.345
  870    HH   TYR 116           HH       TYR 116   7.003  22.066  20.139
  871    HB2  TYR 116           2HB      TYR 116   6.650  20.498  26.409
  872    HB3  TYR 116           3HB      TYR 116   7.668  19.116  26.040
  873    H    GLU 117           H        GLU 117   4.121  19.270  28.268
  874    HA   GLU 117           HA       GLU 117   6.042  18.198  30.172
  875    HB2  GLU 117           2HB      GLU 117   4.591  20.350  30.389
  876    HB3  GLU 117           3HB      GLU 117   3.308  19.256  30.902
  877    HG2  GLU 117           2HG      GLU 117   5.049  18.346  32.631
  878    HG3  GLU 117           3HG      GLU 117   6.062  19.699  32.157
  879    H    VAL 118           H        VAL 118   4.938  16.295  28.363
  880    HA   VAL 118           HA       VAL 118   3.133  14.487  29.589
  881    HB   VAL 118           HB       VAL 118   5.504  13.503  27.990
  882   HG11  VAL 118          1HG1      VAL 118   3.921  11.865  27.207
  883   HG12  VAL 118          2HG1      VAL 118   3.732  11.972  28.961
  884   HG13  VAL 118          3HG1      VAL 118   2.547  12.746  27.902
  885   HG21  VAL 118          3HG2      VAL 118   4.169  13.936  25.893
  886   HG22  VAL 118          1HG2      VAL 118   3.170  15.048  26.842
  887   HG23  VAL 118          2HG2      VAL 118   4.895  15.372  26.618
  888    H    THR 119           H        THR 119   3.389  13.194  31.314
  889    HA   THR 119           HA       THR 119   6.011  12.613  32.508
  890    HB   THR 119           HB       THR 119   4.809  13.514  34.714
  891    HG1  THR 119           1HG      THR 119   3.718  15.182  32.673
  892   HG21  THR 119          3HG2      THR 119   6.954  14.396  33.823
  893   HG22  THR 119          1HG2      THR 119   6.045  15.510  32.778
  894   HG23  THR 119          2HG2      THR 119   5.930  15.647  34.544
  895    H    TRP 120           H        TRP 120   5.593  11.092  34.472
  896    HA   TRP 120           HA       TRP 120   2.977   9.834  34.454
  897    HD1  TRP 120           HD1      TRP 120   6.891   9.061  32.456
  898    HE1  TRP 120           HE1      TRP 120   8.968   7.844  33.283
  899    HE3  TRP 120           HE3      TRP 120   4.727   6.178  36.092
  900    HZ2  TRP 120           HZ2      TRP 120   9.621   5.803  35.251
  901    HZ3  TRP 120           HZ3      TRP 120   6.103   4.616  37.438
  902    HH2  TRP 120           HH2      TRP 120   8.546   4.413  37.019
  903    HB2  TRP 120           2HB      TRP 120   3.782   7.584  34.136
  904    HB3  TRP 120           3HB      TRP 120   4.253   8.538  32.751
  905    H    ALA 121           H        ALA 121   2.671   8.490  36.344
  906    HA   ALA 121           HA       ALA 121   4.713   8.777  38.497
  907    HB1  ALA 121           3HB      ALA 121   3.008   9.627  40.058
  908    HB2  ALA 121           1HB      ALA 121   3.188  10.722  38.673
  909    HB3  ALA 121           2HB      ALA 121   1.792   9.624  38.764
  910    H    ASN 122           H        ASN 122   2.008   6.997  37.153
  911    HA   ASN 122           HA       ASN 122   0.863   5.153  37.792
  912    HB2  ASN 122           2HB      ASN 122   2.934   4.211  36.846
  913    HB3  ASN 122           3HB      ASN 122   3.628   4.145  38.472
  914   HD21  ASN 122          2HD2      ASN 122   3.822   1.776  38.207
  915   HD22  ASN 122          1HD2      ASN 122   2.404   0.769  38.385
  916    H    ASP 123           H        ASP 123   0.259   6.858  39.618
  917    HA   ASP 123           HA       ASP 123   1.100   6.456  42.270
  918    HB2  ASP 123           2HB      ASP 123   0.001   8.486  41.463
  919    HB3  ASP 123           3HB      ASP 123  -1.492   7.593  41.163
  920    H    GLY 124           H        GLY 124  -1.280   4.648  40.411
  921    HA2  GLY 124           2HA      GLY 124  -1.537   2.595  42.372
  922    HA3  GLY 124           3HA      GLY 124  -3.012   3.580  42.292
  923    H    TYR 125           H        TYR 125  -3.348   1.032  41.550
  924    HA   TYR 125           HA       TYR 125  -2.567   0.167  39.024
  925    HD1  TYR 125           HD2      TYR 125  -2.478  -1.895  38.224
  926    HD2  TYR 125           HD1      TYR 125  -6.597  -2.051  39.456
  927    HE1  TYR 125           HE2      TYR 125  -2.912  -3.566  36.482
  928    HE2  TYR 125           HE1      TYR 125  -7.057  -3.732  37.698
  929    HH   TYR 125           HH       TYR 125  -6.154  -4.984  35.928
  930    HB2  TYR 125           2HB      TYR 125  -3.546  -1.280  40.785
  931    HB3  TYR 125           3HB      TYR 125  -5.119  -0.521  40.531
  Start of MODEL   20
    1    HA   MET   1           HA       MET   1  -1.754  -7.481   0.228
    2    H1   MET   1           H1       MET   1  -1.531  -9.646  -1.745
    3    H2   MET   1           H2       MET   1  -2.192  -8.170  -2.009
    4    H3   MET   1           H3       MET   1  -2.914  -9.209  -0.961
    5    HB2  MET   1           2HB      MET   1  -1.948  -9.763   1.225
    6    HB3  MET   1           3HB      MET   1  -0.383 -10.191   0.524
    7    HG2  MET   1           2HG      MET   1   0.673  -8.355   1.854
    8    HG3  MET   1           3HG      MET   1  -0.907  -7.980   2.553
    9    HE1  MET   1           3HE      MET   1  -0.069  -8.173   5.035
   10    HE2  MET   1           1HE      MET   1   0.972  -9.492   5.613
   11    HE3  MET   1           2HE      MET   1   1.562  -8.373   4.360
   12    H    ALA   2           H        ALA   2  -0.347  -5.874  -0.311
   13    HA   ALA   2           HA       ALA   2   2.095  -6.422  -1.878
   14    HB1  ALA   2           3HB      ALA   2   2.346  -3.973  -1.809
   15    HB2  ALA   2           1HB      ALA   2   0.724  -4.406  -2.373
   16    HB3  ALA   2           2HB      ALA   2   0.969  -3.840  -0.701
   17    H    VAL   3           H        VAL   3   4.166  -5.346  -0.944
   18    HA   VAL   3           HA       VAL   3   4.683  -6.229   1.756
   19    HB   VAL   3           HB       VAL   3   6.890  -5.126   1.335
   20   HG11  VAL   3          1HG1      VAL   3   7.709  -6.783  -0.235
   21   HG12  VAL   3          2HG1      VAL   3   6.511  -7.530   0.826
   22   HG13  VAL   3          3HG1      VAL   3   6.075  -7.090  -0.843
   23   HG21  VAL   3          3HG2      VAL   3   6.161  -3.385  -0.300
   24   HG22  VAL   3          1HG2      VAL   3   7.521  -4.358  -0.875
   25   HG23  VAL   3          2HG2      VAL   3   5.898  -4.656  -1.515
   26    H    ALA   4           H        ALA   4   5.724  -4.648   3.285
   27    HA   ALA   4           HA       ALA   4   4.809  -1.904   3.283
   28    HB1  ALA   4           3HB      ALA   4   3.979  -3.856   5.492
   29    HB2  ALA   4           1HB      ALA   4   3.757  -2.096   5.534
   30    HB3  ALA   4           2HB      ALA   4   2.873  -3.063   4.344
   31    H    ASP   5           H        ASP   5   5.731  -1.040   5.620
   32    HA   ASP   5           HA       ASP   5   8.144  -2.455   6.463
   33    HB2  ASP   5           2HB      ASP   5   8.934  -1.082   4.539
   34    HB3  ASP   5           3HB      ASP   5   8.246   0.361   5.288
   35    H    LEU   6           H        LEU   6   8.875  -1.574   8.525
   36    HA   LEU   6           HA       LEU   6   6.804  -0.886  10.302
   37    HG   LEU   6           HG       LEU   6   8.784  -2.990  10.422
   38    HB2  LEU   6           2HB      LEU   6   9.838  -0.657  10.461
   39    HB3  LEU   6           3HB      LEU   6   8.799  -0.300  11.830
   40   HD11  LEU   6          1HD1      LEU   6  10.123  -3.791  12.338
   41   HD12  LEU   6          2HD1      LEU   6  11.005  -2.597  11.377
   42   HD13  LEU   6          3HD1      LEU   6  10.284  -2.127  12.931
   43   HD21  LEU   6          3HD2      LEU   6   6.740  -2.621  11.679
   44   HD22  LEU   6          1HD2      LEU   6   7.750  -3.747  12.580
   45   HD23  LEU   6          2HD2      LEU   6   7.650  -2.045  13.086
   46    H    ALA   7           H        ALA   7   8.928   1.236   8.399
   47    HA   ALA   7           HA       ALA   7   8.513   3.621   9.883
   48    HB1  ALA   7           3HB      ALA   7   8.974   3.256   6.892
   49    HB2  ALA   7           1HB      ALA   7   9.225   4.753   7.814
   50    HB3  ALA   7           2HB      ALA   7  10.247   3.337   8.135
   51    H    LEU   8           H        LEU   8   6.314   1.877   7.757
   52    HA   LEU   8           HA       LEU   8   4.690   4.208   7.067
   53    HG   LEU   8           HG       LEU   8   6.009   1.712   5.437
   54    HB2  LEU   8           2HB      LEU   8   4.044   1.239   6.863
   55    HB3  LEU   8           3HB      LEU   8   3.154   2.553   6.107
   56   HD11  LEU   8          1HD1      LEU   8   3.444   1.517   3.803
   57   HD12  LEU   8          2HD1      LEU   8   5.061   0.953   3.325
   58   HD13  LEU   8          3HD1      LEU   8   4.207   0.171   4.667
   59   HD21  LEU   8          3HD2      LEU   8   5.818   4.126   5.091
   60   HD22  LEU   8          1HD2      LEU   8   5.818   3.303   3.530
   61   HD23  LEU   8          2HD2      LEU   8   4.288   3.910   4.206
   62    H    ILE   9           H        ILE   9   4.904   2.045   9.794
   63    HA   ILE   9           HA       ILE   9   2.124   2.334  10.628
   64    HB   ILE   9           HB       ILE   9   4.618   1.200  11.961
   65   HG12  ILE   9          2HG1      ILE   9   2.133  -0.185  10.838
   66   HG13  ILE   9          3HG1      ILE   9   3.661  -0.042   9.973
   67   HG21  ILE   9          1HG2      ILE   9   1.759   1.132  13.006
   68   HG22  ILE   9          2HG2      ILE   9   3.152   0.280  13.714
   69   HG23  ILE   9          3HG2      ILE   9   3.125   2.029  13.719
   70   HD11  ILE   9          3HD1      ILE   9   4.806  -1.326  11.761
   71   HD12  ILE   9          1HD1      ILE   9   3.233  -1.604  12.538
   72   HD13  ILE   9          2HD1      ILE   9   3.533  -2.233  10.916
   73    HA   PRO  10           HA       PRO  10   3.025   6.370  12.449
   74    HB2  PRO  10           2HB      PRO  10   0.889   6.631  14.186
   75    HB3  PRO  10           3HB      PRO  10   0.783   6.884  12.417
   76    HG2  PRO  10           2HG      PRO  10   0.058   4.408  13.995
   77    HG3  PRO  10           3HG      PRO  10  -0.865   5.196  12.678
   78    HD2  PRO  10           2HD      PRO  10   0.710   3.020  12.235
   79    HD3  PRO  10           3HD      PRO  10   0.575   4.324  11.022
   80    H    ASP  11           H        ASP  11   4.278   6.947  14.189
   81    HA   ASP  11           HA       ASP  11   5.416   4.837  15.678
   82    HB2  ASP  11           2HB      ASP  11   6.578   6.908  14.902
   83    HB3  ASP  11           3HB      ASP  11   5.696   7.841  16.123
   84    H    VAL  12           H        VAL  12   2.935   7.183  16.586
   85    HA   VAL  12           HA       VAL  12   2.374   5.894  19.119
   86    HB   VAL  12           HB       VAL  12   4.201   7.238  19.847
   87   HG11  VAL  12          1HG1      VAL  12   2.986   9.663  18.491
   88   HG12  VAL  12          2HG1      VAL  12   4.372   9.653  19.603
   89   HG13  VAL  12          3HG1      VAL  12   4.494   8.822  18.054
   90   HG21  VAL  12          3HG2      VAL  12   2.081   7.286  21.252
   91   HG22  VAL  12          1HG2      VAL  12   3.223   8.610  21.518
   92   HG23  VAL  12          2HG2      VAL  12   1.747   8.878  20.572
   93    H    ASP  13           H        ASP  13   0.156   6.234  19.553
   94    HA   ASP  13           HA       ASP  13  -1.311   8.406  18.272
   95    HB2  ASP  13           2HB      ASP  13  -1.224   6.868  16.382
   96    HB3  ASP  13           3HB      ASP  13  -1.730   5.521  17.402
   97    H    ILE  14           H        ILE  14  -2.489   9.024  19.931
   98    HA   ILE  14           HA       ILE  14  -3.889   7.069  21.639
   99    HB   ILE  14           HB       ILE  14  -3.244   8.424  23.636
  100   HG12  ILE  14          2HG1      ILE  14  -1.000   9.586  21.939
  101   HG13  ILE  14          3HG1      ILE  14  -2.486  10.469  22.300
  102   HG21  ILE  14          1HG2      ILE  14  -0.894   7.109  22.233
  103   HG22  ILE  14          2HG2      ILE  14  -1.139   7.277  23.983
  104   HG23  ILE  14          3HG2      ILE  14  -2.213   6.240  23.039
  105   HD11  ILE  14          3HD1      ILE  14  -0.500   9.444  24.363
  106   HD12  ILE  14          1HD1      ILE  14  -0.745  11.124  23.855
  107   HD13  ILE  14          2HD1      ILE  14  -2.032  10.271  24.729
  108    H    ASP  15           H        ASP  15  -4.819   8.636  19.395
  109    HA   ASP  15           HA       ASP  15  -6.182  11.010  20.204
  110    HB2  ASP  15           2HB      ASP  15  -5.837  10.534  17.874
  111    HB3  ASP  15           3HB      ASP  15  -6.725   9.010  17.992
  112    H    SER  16           H        SER  16  -7.391  10.934  22.030
  113    HA   SER  16           HA       SER  16 -10.035   9.891  21.983
  114    HG   SER  16           HG       SER  16  -8.914   7.769  21.644
  115    HB2  SER  16           2HB      SER  16  -7.938   8.513  23.701
  116    HB3  SER  16           3HB      SER  16  -9.629   8.602  24.233
  117    H    ASP  17           H        ASP  17 -10.942  10.376  24.400
  118    HA   ASP  17           HA       ASP  17  -9.754  12.865  25.468
  119    HB2  ASP  17           2HB      ASP  17 -11.303  13.597  23.726
  120    HB3  ASP  17           3HB      ASP  17 -12.575  12.559  24.379
  121    H    GLY  18           H        GLY  18 -10.721  13.410  27.574
  122    HA2  GLY  18           2HA      GLY  18 -11.162  12.793  29.754
  123    HA3  GLY  18           3HA      GLY  18 -12.264  11.562  29.123
  124    H    VAL  19           H        VAL  19 -11.460  10.120  30.835
  125    HA   VAL  19           HA       VAL  19  -8.746   9.116  30.800
  126    HB   VAL  19           HB       VAL  19 -11.311   7.857  31.866
  127   HG11  VAL  19          1HG1      VAL  19  -8.379   7.258  32.455
  128   HG12  VAL  19          2HG1      VAL  19  -9.755   6.585  33.359
  129   HG13  VAL  19          3HG1      VAL  19  -9.541   6.175  31.657
  130   HG21  VAL  19          3HG2      VAL  19 -10.586   8.703  34.083
  131   HG22  VAL  19          1HG2      VAL  19  -9.249   9.576  33.308
  132   HG23  VAL  19          2HG2      VAL  19 -10.934  10.026  32.973
  133    H    PHE  20           H        PHE  20  -7.933   7.354  29.614
  134    HA   PHE  20           HA       PHE  20  -9.751   5.458  28.398
  135    HD1  PHE  20           HD1      PHE  20  -8.535   9.211  27.052
  136    HD2  PHE  20           HD2      PHE  20  -6.516   5.721  25.535
  137    HE1  PHE  20           HE1      PHE  20  -6.624  10.625  26.337
  138    HE2  PHE  20           HE2      PHE  20  -4.619   7.123  24.822
  139    HZ   PHE  20           HZ       PHE  20  -4.665   9.590  25.212
  140    HB2  PHE  20           2HB      PHE  20  -8.852   5.627  26.124
  141    HB3  PHE  20           3HB      PHE  20  -9.740   7.062  26.585
  142    H    LYS  21           H        LYS  21  -8.625   3.552  27.658
  143    HA   LYS  21           HA       LYS  21  -6.260   2.914  29.278
  144    HB2  LYS  21           2HB      LYS  21  -8.054   1.332  27.367
  145    HB3  LYS  21           3HB      LYS  21  -6.624   0.650  28.136
  146    HG2  LYS  21           2HG      LYS  21  -7.573   1.215  30.383
  147    HG3  LYS  21           3HG      LYS  21  -9.055   1.785  29.596
  148    HD2  LYS  21           2HD      LYS  21  -9.497  -0.477  28.710
  149    HD3  LYS  21           3HD      LYS  21  -7.930  -1.027  29.306
  150    HE2  LYS  21           2HE      LYS  21  -9.345  -1.825  30.965
  151    HE3  LYS  21           3HE      LYS  21  -8.731  -0.327  31.661
  152    HZ1  LYS  21           3HZ      LYS  21 -11.087  -0.460  31.979
  153    HZ2  LYS  21           1HZ      LYS  21 -10.854   0.718  30.869
  154    HZ3  LYS  21           2HZ      LYS  21 -11.388  -0.777  30.409
  155    H    TYR  22           H        TYR  22  -4.218   2.185  28.381
  156    HA   TYR  22           HA       TYR  22  -3.824   2.487  25.499
  157    HD1  TYR  22           HD1      TYR  22  -1.781   3.869  29.105
  158    HD2  TYR  22           HD2      TYR  22  -0.335   3.749  25.063
  159    HE1  TYR  22           HE1      TYR  22   0.483   3.372  29.949
  160    HE2  TYR  22           HE2      TYR  22   1.969   3.312  25.893
  161    HH   TYR  22           HH       TYR  22   2.695   2.888  29.352
  162    HB2  TYR  22           2HB      TYR  22  -2.598   4.356  25.521
  163    HB3  TYR  22           3HB      TYR  22  -3.182   4.663  27.138
  164    H    VAL  23           H        VAL  23  -1.669   1.618  24.844
  165    HA   VAL  23           HA       VAL  23  -0.484  -0.317  26.698
  166    HB   VAL  23           HB       VAL  23  -2.483  -1.394  25.730
  167   HG11  VAL  23          1HG1      VAL  23  -2.640  -0.249  23.588
  168   HG12  VAL  23          2HG1      VAL  23  -1.145  -1.020  23.032
  169   HG13  VAL  23          3HG1      VAL  23  -2.593  -2.002  23.359
  170   HG21  VAL  23          3HG2      VAL  23   0.111  -2.642  24.781
  171   HG22  VAL  23          1HG2      VAL  23  -0.664  -2.832  26.360
  172   HG23  VAL  23          2HG2      VAL  23  -1.455  -3.459  24.908
  173    H    LEU  24           H        LEU  24   1.551  -1.121  25.934
  174    HA   LEU  24           HA       LEU  24   2.914   0.528  23.848
  175    HG   LEU  24           HG       LEU  24   5.653  -0.830  24.749
  176    HB2  LEU  24           2HB      LEU  24   3.718   1.104  26.106
  177    HB3  LEU  24           3HB      LEU  24   3.871  -0.607  26.507
  178   HD11  LEU  24          1HD1      LEU  24   5.137   1.133  23.342
  179   HD12  LEU  24          2HD1      LEU  24   5.557   2.214  24.691
  180   HD13  LEU  24          3HD1      LEU  24   6.797   1.191  23.934
  181   HD21  LEU  24          3HD2      LEU  24   6.200  -0.562  27.128
  182   HD22  LEU  24          1HD2      LEU  24   7.407   0.235  26.107
  183   HD23  LEU  24          2HD2      LEU  24   6.184   1.214  26.945
  184    H    ILE  25           H        ILE  25   3.528  -0.772  22.143
  185    HA   ILE  25           HA       ILE  25   3.605  -3.732  22.589
  186    HB   ILE  25           HB       ILE  25   2.153  -2.134  20.434
  187   HG12  ILE  25          2HG1      ILE  25   0.984  -4.109  22.446
  188   HG13  ILE  25          3HG1      ILE  25   0.978  -2.363  22.680
  189   HG21  ILE  25          1HG2      ILE  25   2.543  -5.143  20.714
  190   HG22  ILE  25          2HG2      ILE  25   1.435  -4.377  19.551
  191   HG23  ILE  25          3HG2      ILE  25   3.145  -4.092  19.405
  192   HD11  ILE  25          3HD1      ILE  25  -0.392  -1.999  20.720
  193   HD12  ILE  25          1HD1      ILE  25  -0.428  -3.737  20.359
  194   HD13  ILE  25          2HD1      ILE  25  -1.171  -3.137  21.835
  195    H    ARG  26           H        ARG  26   5.232  -4.760  21.554
  196    HA   ARG  26           HA       ARG  26   7.146  -3.185  19.919
  197    HE   ARG  26           HE       ARG  26  10.890  -4.391  21.074
  198    HB2  ARG  26           2HB      ARG  26   8.141  -4.584  21.626
  199    HB3  ARG  26           3HB      ARG  26   7.222  -5.998  21.103
  200    HG2  ARG  26           2HG      ARG  26   8.430  -6.095  18.989
  201    HG3  ARG  26           3HG      ARG  26   9.241  -4.555  19.322
  202    HD2  ARG  26           2HD      ARG  26   9.566  -7.089  20.964
  203    HD3  ARG  26           3HD      ARG  26  10.689  -6.530  19.718
  204   HH11  ARG  26          1HH2      ARG  26  10.077  -7.435  22.849
  205   HH12  ARG  26          2HH2      ARG  26  10.960  -6.927  24.242
  206   HH21  ARG  26          1HH1      ARG  26  11.755  -3.722  22.831
  207   HH22  ARG  26          2HH1      ARG  26  11.920  -4.687  24.294
  208    H    VAL  27           H        VAL  27   7.407  -3.739  17.738
  209    HA   VAL  27           HA       VAL  27   5.502  -5.671  16.577
  210    HB   VAL  27           HB       VAL  27   4.386  -3.573  16.399
  211   HG11  VAL  27          1HG1      VAL  27   6.925  -2.399  15.235
  212   HG12  VAL  27          2HG1      VAL  27   5.341  -1.592  15.226
  213   HG13  VAL  27          3HG1      VAL  27   6.147  -1.944  16.760
  214   HG21  VAL  27          3HG2      VAL  27   5.681  -4.168  13.712
  215   HG22  VAL  27          1HG2      VAL  27   4.295  -5.022  14.422
  216   HG23  VAL  27          2HG2      VAL  27   4.161  -3.305  13.990
  217    H    HIS  28           H        HIS  28   6.299  -6.705  14.789
  218    HA   HIS  28           HA       HIS  28   9.234  -6.472  14.282
  219    HD1  HIS  28           HD1      HIS  28  10.507  -8.060  16.526
  220    HD2  HIS  28           HD2      HIS  28   6.476  -9.254  16.672
  221    HE1  HIS  28           HE1      HIS  28  10.026  -8.712  18.957
  222    HB2  HIS  28           2HB      HIS  28   7.491  -8.972  14.277
  223    HB3  HIS  28           3HB      HIS  28   9.243  -8.887  14.140
  224    H    SER  29           H        SER  29   9.736  -6.387  12.106
  225    HA   SER  29           HA       SER  29   7.625  -6.086  10.147
  226    HG   SER  29           HG       SER  29  11.115  -6.149  10.876
  227    HB2  SER  29           2HB      SER  29   9.529  -6.097   8.503
  228    HB3  SER  29           3HB      SER  29   9.616  -4.860   9.755
  229    H    ALA  30           H        ALA  30   6.805  -7.541   8.692
  230    HA   ALA  30           HA       ALA  30   8.162 -10.003   8.050
  231    HB1  ALA  30           3HB      ALA  30   7.023 -10.768  10.073
  232    HB2  ALA  30           1HB      ALA  30   5.465 -10.153   9.454
  233    HB3  ALA  30           2HB      ALA  30   6.301 -11.492   8.620
  234    HA   PRO  31           HA       PRO  31   5.491  -7.440   5.160
  235    HB2  PRO  31           2HB      PRO  31   7.721  -7.603   3.224
  236    HB3  PRO  31           3HB      PRO  31   6.898  -6.168   3.876
  237    HG2  PRO  31           2HG      PRO  31   9.472  -6.860   4.611
  238    HG3  PRO  31           3HG      PRO  31   8.331  -5.995   5.685
  239    HD2  PRO  31           2HD      PRO  31   9.016  -8.944   5.697
  240    HD3  PRO  31           3HD      PRO  31   8.780  -7.829   7.054
  241    H    ARG  32           H        ARG  32   4.101  -8.393   3.705
  242    HA   ARG  32           HA       ARG  32   2.936 -10.149   2.878
  243    HE   ARG  32           HE       ARG  32   2.309  -9.865  -1.687
  244    HB2  ARG  32           2HB      ARG  32   5.513 -10.379   1.278
  245    HB3  ARG  32           3HB      ARG  32   4.040 -11.291   0.899
  246    HG2  ARG  32           2HG      ARG  32   2.784  -9.120   0.726
  247    HG3  ARG  32           3HG      ARG  32   4.310  -8.276   0.974
  248    HD2  ARG  32           2HD      ARG  32   4.006  -8.282  -1.359
  249    HD3  ARG  32           3HD      ARG  32   5.216  -9.530  -1.076
  250   HH11  ARG  32          1HH2      ARG  32   5.537 -11.369  -1.595
  251   HH12  ARG  32          2HH2      ARG  32   5.048 -12.809  -2.407
  252   HH21  ARG  32          1HH1      ARG  32   1.671 -11.777  -2.782
  253   HH22  ARG  32          2HH1      ARG  32   2.798 -13.041  -3.098
  254    H    SER  33           H        SER  33   4.380 -10.768   5.377
  255    HA   SER  33           HA       SER  33   4.958 -12.436   6.708
  256    HG   SER  33           HG       SER  33   1.488 -13.249   6.512
  257    HB2  SER  33           2HB      SER  33   3.036 -14.091   5.039
  258    HB3  SER  33           3HB      SER  33   3.486 -14.350   6.732
  259    H    GLY  34           H        GLY  34   6.771 -12.133   4.353
  260    HA2  GLY  34           2HA      GLY  34   8.299 -14.546   4.767
  261    HA3  GLY  34           3HA      GLY  34   7.468 -14.585   3.211
  262    H    ALA  35           H        ALA  35   8.139 -11.324   3.501
  263    HA   ALA  35           HA       ALA  35  10.378 -11.423   1.728
  264    HB1  ALA  35           3HB      ALA  35  10.444  -8.980   2.081
  265    HB2  ALA  35           1HB      ALA  35   8.769  -9.524   1.861
  266    HB3  ALA  35           2HB      ALA  35   9.391  -9.152   3.489
  267    HA   PRO  36           HA       PRO  36  13.648 -11.904   4.690
  268    HB2  PRO  36           2HB      PRO  36  15.843 -11.000   3.363
  269    HB3  PRO  36           3HB      PRO  36  14.884 -12.391   2.787
  270    HG2  PRO  36           2HG      PRO  36  14.634  -9.495   1.894
  271    HG3  PRO  36           3HG      PRO  36  14.849 -10.951   0.865
  272    HD2  PRO  36           2HD      PRO  36  12.390  -9.896   1.368
  273    HD3  PRO  36           3HD      PRO  36  12.637 -11.664   1.250
  274    H    ALA  37           H        ALA  37  12.259 -10.158   5.923
  275    HA   ALA  37           HA       ALA  37  14.203  -8.199   6.964
  276    HB1  ALA  37           3HB      ALA  37  12.442  -6.465   7.156
  277    HB2  ALA  37           1HB      ALA  37  12.772  -6.855   5.455
  278    HB3  ALA  37           2HB      ALA  37  11.317  -7.500   6.254
  279    H    ALA  38           H        ALA  38  14.135  -8.157   9.164
  280    HA   ALA  38           HA       ALA  38  11.856  -9.193  10.676
  281    HB1  ALA  38           3HB      ALA  38  13.218 -10.883  11.860
  282    HB2  ALA  38           1HB      ALA  38  13.187 -11.237  10.126
  283    HB3  ALA  38           2HB      ALA  38  14.628 -10.484  10.854
  284    H    GLU  39           H        GLU  39  13.211  -6.622  10.303
  285    HA   GLU  39           HA       GLU  39  14.626  -5.954  12.792
  286    HB2  GLU  39           2HB      GLU  39  13.352  -4.251  10.597
  287    HB3  GLU  39           3HB      GLU  39  14.213  -3.607  12.005
  288    HG2  GLU  39           2HG      GLU  39  16.260  -4.863  11.306
  289    HG3  GLU  39           3HG      GLU  39  15.419  -5.399   9.851
  290    H    SER  40           H        SER  40  13.546  -4.355  14.328
  291    HA   SER  40           HA       SER  40  10.618  -4.700  14.546
  292    HG   SER  40           HG       SER  40  12.558  -6.993  15.209
  293    HB2  SER  40           2HB      SER  40  12.570  -5.341  16.782
  294    HB3  SER  40           3HB      SER  40  10.804  -5.454  16.852
  295    H    LYS  41           H        LYS  41   9.729  -3.333  16.305
  296    HA   LYS  41           HA       LYS  41  11.118  -0.796  16.892
  297    HB2  LYS  41           2HB      LYS  41  10.377  -0.506  14.605
  298    HB3  LYS  41           3HB      LYS  41   8.809  -1.231  14.942
  299    HG2  LYS  41           2HG      LYS  41   8.144   0.724  16.255
  300    HG3  LYS  41           3HG      LYS  41   9.755   1.444  16.013
  301    HD2  LYS  41           2HD      LYS  41   9.298   1.458  13.528
  302    HD3  LYS  41           3HD      LYS  41   7.706   0.749  13.849
  303    HE2  LYS  41           2HE      LYS  41   7.344   3.098  13.586
  304    HE3  LYS  41           3HE      LYS  41   7.169   2.719  15.306
  305    HZ1  LYS  41           3HZ      LYS  41   9.608   3.420  15.460
  306    HZ2  LYS  41           1HZ      LYS  41   9.391   4.135  13.994
  307    HZ3  LYS  41           2HZ      LYS  41   8.492   4.577  15.316
  308    H    GLU  42           H        GLU  42   9.527   0.583  18.296
  309    HA   GLU  42           HA       GLU  42   7.452  -1.089  19.626
  310    HB2  GLU  42           2HB      GLU  42   9.375   0.901  20.919
  311    HB3  GLU  42           3HB      GLU  42   7.890   0.321  21.648
  312    HG2  GLU  42           2HG      GLU  42   9.455  -1.026  22.634
  313    HG3  GLU  42           3HG      GLU  42   8.751  -2.053  21.396
  314    H    ILE  43           H        ILE  43   5.529  -0.067  20.014
  315    HA   ILE  43           HA       ILE  43   5.104   2.676  18.982
  316    HB   ILE  43           HB       ILE  43   3.075   1.833  17.819
  317   HG12  ILE  43          2HG1      ILE  43   4.238  -0.970  18.124
  318   HG13  ILE  43          3HG1      ILE  43   2.919  -0.356  19.120
  319   HG21  ILE  43          1HG2      ILE  43   5.212   2.303  16.639
  320   HG22  ILE  43          2HG2      ILE  43   5.664   0.592  16.804
  321   HG23  ILE  43          3HG2      ILE  43   4.257   1.057  15.828
  322   HD11  ILE  43          3HD1      ILE  43   2.819  -0.726  16.104
  323   HD12  ILE  43          1HD1      ILE  43   2.034  -1.718  17.346
  324   HD13  ILE  43          2HD1      ILE  43   1.521  -0.038  17.114
  325    H    VAL  44           H        VAL  44   3.125   3.619  19.743
  326    HA   VAL  44           HA       VAL  44   2.150   2.510  22.353
  327    HB   VAL  44           HB       VAL  44   3.008   5.297  21.510
  328   HG11  VAL  44          1HG1      VAL  44   2.294   6.140  23.726
  329   HG12  VAL  44          2HG1      VAL  44   0.906   5.598  22.777
  330   HG13  VAL  44          3HG1      VAL  44   1.542   4.577  24.076
  331   HG21  VAL  44          3HG2      VAL  44   4.724   3.647  22.466
  332   HG22  VAL  44          1HG2      VAL  44   4.555   5.201  23.293
  333   HG23  VAL  44          2HG2      VAL  44   3.825   3.733  23.986
  334    H    ARG  45           H        ARG  45  -0.031   2.391  22.497
  335    HA   ARG  45           HA       ARG  45  -1.750   3.588  20.360
  336    HE   ARG  45           HE       ARG  45  -0.542   3.407  18.706
  337    HB2  ARG  45           2HB      ARG  45  -1.763   0.730  21.437
  338    HB3  ARG  45           3HB      ARG  45  -2.913   1.375  20.287
  339    HG2  ARG  45           2HG      ARG  45   0.075   1.012  19.716
  340    HG3  ARG  45           3HG      ARG  45  -1.153  -0.169  19.381
  341    HD2  ARG  45           2HD      ARG  45  -0.975   0.799  17.328
  342    HD3  ARG  45           3HD      ARG  45  -2.332   1.724  17.982
  343   HH11  ARG  45          1HH2      ARG  45  -0.137   1.553  15.663
  344   HH12  ARG  45          2HH2      ARG  45   1.219   2.532  15.172
  345   HH21  ARG  45          1HH1      ARG  45   1.154   4.563  18.033
  346   HH22  ARG  45          2HH1      ARG  45   1.912   4.291  16.465
  347    H    GLY  46           H        GLY  46  -3.856   4.188  21.249
  348    HA2  GLY  46           2HA      GLY  46  -4.820   2.928  23.631
  349    HA3  GLY  46           3HA      GLY  46  -4.171   4.531  24.017
  350    H    TYR  47           H        TYR  47  -6.979   3.005  23.420
  351    HA   TYR  47           HA       TYR  47  -8.217   5.408  22.216
  352    HD1  TYR  47           HD2      TYR  47  -7.837   5.698  19.377
  353    HD2  TYR  47           HD1      TYR  47  -6.654   1.727  20.564
  354    HE1  TYR  47           HE2      TYR  47  -5.965   5.783  17.765
  355    HE2  TYR  47           HE1      TYR  47  -4.789   1.786  18.929
  356    HH   TYR  47           HH       TYR  47  -4.158   4.664  16.860
  357    HB2  TYR  47           2HB      TYR  47  -8.771   2.595  21.260
  358    HB3  TYR  47           3HB      TYR  47  -9.406   4.108  20.613
  359    H    LYS  48           H        LYS  48 -10.169   5.867  23.033
  360    HA   LYS  48           HA       LYS  48 -10.978   4.786  25.472
  361    HB2  LYS  48           2HB      LYS  48 -11.456   7.073  24.319
  362    HB3  LYS  48           3HB      LYS  48 -12.853   6.269  23.593
  363    HG2  LYS  48           2HG      LYS  48 -13.652   5.718  25.937
  364    HG3  LYS  48           3HG      LYS  48 -12.246   6.598  26.567
  365    HD2  LYS  48           2HD      LYS  48 -13.092   8.644  25.264
  366    HD3  LYS  48           3HD      LYS  48 -14.538   7.703  24.885
  367    HE2  LYS  48           2HE      LYS  48 -15.106   9.042  26.755
  368    HE3  LYS  48           3HE      LYS  48 -14.911   7.398  27.379
  369    HZ1  LYS  48           3HZ      LYS  48 -12.698   8.049  28.189
  370    HZ2  LYS  48           1HZ      LYS  48 -12.832   9.518  27.501
  371    HZ3  LYS  48           2HZ      LYS  48 -13.826   9.104  28.754
  372    H    TRP  49           H        TRP  49 -11.994   3.710  22.233
  373    HA   TRP  49           HA       TRP  49 -14.428   2.506  23.061
  374    HD1  TRP  49           HD1      TRP  49 -12.574   3.987  19.269
  375    HE1  TRP  49           HE1      TRP  49 -10.356   3.361  18.170
  376    HE3  TRP  49           HE3      TRP  49 -11.886  -0.681  21.324
  377    HZ2  TRP  49           HZ2      TRP  49  -8.405   1.281  18.364
  378    HZ3  TRP  49           HZ3      TRP  49  -9.770  -1.886  20.956
  379    HH2  TRP  49           HH2      TRP  49  -7.981  -0.883  19.540
  380    HB2  TRP  49           2HB      TRP  49 -14.202   1.184  20.915
  381    HB3  TRP  49           3HB      TRP  49 -14.250   2.927  20.796
  382    H    ALA  50           H        ALA  50 -11.124   1.357  23.539
  383    HA   ALA  50           HA       ALA  50 -11.826  -1.431  23.711
  384    HB1  ALA  50           3HB      ALA  50  -9.612  -1.652  24.768
  385    HB2  ALA  50           1HB      ALA  50  -9.547  -0.720  23.266
  386    HB3  ALA  50           2HB      ALA  50  -9.454   0.117  24.838
  387    H    GLU  51           H        GLU  51 -13.152  -2.257  25.227
  388    HA   GLU  51           HA       GLU  51 -13.726  -1.020  27.759
  389    HB2  GLU  51           2HB      GLU  51 -14.106  -3.874  26.744
  390    HB3  GLU  51           3HB      GLU  51 -14.723  -3.293  28.290
  391    HG2  GLU  51           2HG      GLU  51 -15.502  -2.145  25.572
  392    HG3  GLU  51           3HG      GLU  51 -16.429  -3.330  26.478
  393    H    TYR  52           H        TYR  52 -11.299  -3.352  26.669
  394    HA   TYR  52           HA       TYR  52  -9.898  -3.234  29.265
  395    HD1  TYR  52           HD2      TYR  52 -10.508  -4.958  31.440
  396    HD2  TYR  52           HD1      TYR  52 -12.981  -5.962  28.048
  397    HE1  TYR  52           HE2      TYR  52 -12.456  -5.227  32.944
  398    HE2  TYR  52           HE1      TYR  52 -14.929  -6.232  29.540
  399    HH   TYR  52           HH       TYR  52 -15.708  -6.133  31.736
  400    HB2  TYR  52           2HB      TYR  52 -10.583  -5.819  27.798
  401    HB3  TYR  52           3HB      TYR  52  -9.536  -5.682  29.200
  402    H    HIS  53           H        HIS  53  -7.614  -3.653  28.981
  403    HA   HIS  53           HA       HIS  53  -6.552  -2.402  26.754
  404    HD2  HIS  53           HD2      HIS  53  -4.391  -0.659  28.262
  405    HE1  HIS  53           HE1      HIS  53  -5.926  -1.198  32.195
  406    HE2  HIS  53           HE2      HIS  53  -4.744   0.434  30.594
  407    HB2  HIS  53           2HB      HIS  53  -5.182  -4.388  28.621
  408    HB3  HIS  53           3HB      HIS  53  -4.367  -3.221  27.579
  409    H    ALA  54           H        ALA  54  -7.003  -5.898  27.239
  410    HA   ALA  54           HA       ALA  54  -5.365  -6.837  25.166
  411    HB1  ALA  54           3HB      ALA  54  -7.976  -8.013  26.219
  412    HB2  ALA  54           1HB      ALA  54  -6.741  -8.878  25.281
  413    HB3  ALA  54           2HB      ALA  54  -6.352  -8.283  26.906
  414    H    ASP  55           H        ASP  55  -8.550  -5.258  24.952
  415    HA   ASP  55           HA       ASP  55  -9.217  -6.253  22.333
  416    HB2  ASP  55           2HB      ASP  55 -10.780  -5.097  24.027
  417    HB3  ASP  55           3HB      ASP  55 -10.038  -3.585  23.532
  418    H    ILE  56           H        ILE  56  -7.244  -3.547  23.557
  419    HA   ILE  56           HA       ILE  56  -6.899  -2.264  20.989
  420    HB   ILE  56           HB       ILE  56  -4.952  -2.126  23.332
  421   HG12  ILE  56          2HG1      ILE  56  -7.304  -0.246  22.945
  422   HG13  ILE  56          3HG1      ILE  56  -7.275  -1.571  24.123
  423   HG21  ILE  56          1HG2      ILE  56  -5.606  -0.282  20.986
  424   HG22  ILE  56          2HG2      ILE  56  -4.488   0.149  22.287
  425   HG23  ILE  56          3HG2      ILE  56  -4.115  -1.207  21.230
  426   HD11  ILE  56          3HD1      ILE  56  -5.429   0.833  24.154
  427   HD12  ILE  56          1HD1      ILE  56  -6.742   0.454  25.273
  428   HD13  ILE  56          2HD1      ILE  56  -5.298  -0.576  25.231
  429    H    TYR  57           H        TYR  57  -4.898  -4.509  23.002
  430    HA   TYR  57           HA       TYR  57  -2.792  -4.745  21.154
  431    HD1  TYR  57           HD2      TYR  57  -0.721  -5.808  21.264
  432    HD2  TYR  57           HD1      TYR  57  -2.862  -8.770  23.553
  433    HE1  TYR  57           HE2      TYR  57   1.085  -7.435  20.838
  434    HE2  TYR  57           HE1      TYR  57  -1.046 -10.395  23.157
  435    HH   TYR  57           HH       TYR  57   1.046 -10.759  22.175
  436    HB2  TYR  57           2HB      TYR  57  -2.586  -5.429  23.454
  437    HB3  TYR  57           3HB      TYR  57  -3.830  -6.662  23.263
  438    H    ASP  58           H        ASP  58  -5.798  -6.720  21.402
  439    HA   ASP  58           HA       ASP  58  -5.128  -8.539  19.326
  440    HB2  ASP  58           2HB      ASP  58  -6.937  -8.969  20.895
  441    HB3  ASP  58           3HB      ASP  58  -7.831  -7.560  20.312
  442    H    LYS  59           H        LYS  59  -6.996  -5.436  19.218
  443    HA   LYS  59           HA       LYS  59  -7.589  -5.555  16.443
  444    HB2  LYS  59           2HB      LYS  59  -8.661  -4.045  18.154
  445    HB3  LYS  59           3HB      LYS  59  -7.177  -3.093  18.197
  446    HG2  LYS  59           2HG      LYS  59  -8.698  -1.945  16.783
  447    HG3  LYS  59           3HG      LYS  59  -7.477  -2.655  15.719
  448    HD2  LYS  59           2HD      LYS  59  -9.033  -4.481  15.115
  449    HD3  LYS  59           3HD      LYS  59 -10.240  -3.841  16.256
  450    HE2  LYS  59           2HE      LYS  59 -10.307  -1.713  14.967
  451    HE3  LYS  59           3HE      LYS  59  -9.116  -2.361  13.832
  452    HZ1  LYS  59           3HZ      LYS  59 -11.826  -3.473  14.287
  453    HZ2  LYS  59           1HZ      LYS  59 -11.366  -2.588  12.987
  454    HZ3  LYS  59           2HZ      LYS  59 -10.726  -4.079  13.229
  455    H    VAL  60           H        VAL  60  -4.852  -4.048  18.186
  456    HA   VAL  60           HA       VAL  60  -3.589  -2.959  15.871
  457    HB   VAL  60           HB       VAL  60  -2.588  -3.686  18.651
  458   HG11  VAL  60          1HG1      VAL  60  -0.667  -2.190  18.250
  459   HG12  VAL  60          2HG1      VAL  60  -0.627  -3.555  17.137
  460   HG13  VAL  60          3HG1      VAL  60  -1.176  -1.967  16.565
  461   HG21  VAL  60          3HG2      VAL  60  -3.173  -0.930  17.464
  462   HG22  VAL  60          1HG2      VAL  60  -4.396  -1.848  18.342
  463   HG23  VAL  60          2HG2      VAL  60  -2.930  -1.380  19.175
  464    H    SER  61           H        SER  61  -3.067  -6.130  17.611
  465    HA   SER  61           HA       SER  61  -0.974  -7.011  15.932
  466    HG   SER  61           HG       SER  61  -2.111  -7.474  18.824
  467    HB2  SER  61           2HB      SER  61  -3.120  -8.692  17.294
  468    HB3  SER  61           3HB      SER  61  -1.549  -9.261  16.696
  469    H    GLY  62           H        GLY  62  -4.542  -7.325  15.541
  470    HA2  GLY  62           2HA      GLY  62  -4.532  -8.867  13.161
  471    HA3  GLY  62           3HA      GLY  62  -5.805  -7.747  13.688
  472    H    ASP  63           H        ASP  63  -4.424  -5.270  13.645
  473    HA   ASP  63           HA       ASP  63  -4.517  -4.696  10.850
  474    HB2  ASP  63           2HB      ASP  63  -5.046  -2.978  12.532
  475    HB3  ASP  63           3HB      ASP  63  -3.359  -2.977  13.078
  476    H    MET  64           H        MET  64  -1.694  -4.947  13.130
  477    HA   MET  64           HA       MET  64   0.284  -4.345  11.205
  478    HB2  MET  64           2HB      MET  64   0.276  -5.937  13.783
  479    HB3  MET  64           3HB      MET  64   1.665  -6.023  12.709
  480    HG2  MET  64           2HG      MET  64   2.122  -4.334  14.288
  481    HG3  MET  64           3HG      MET  64   1.873  -3.547  12.736
  482    HE1  MET  64           3HE      MET  64  -0.054  -1.828  12.268
  483    HE2  MET  64           1HE      MET  64  -0.554  -0.837  13.659
  484    HE3  MET  64           2HE      MET  64   1.172  -1.078  13.325
  485    H    GLN  65           H        GLN  65  -1.298  -7.484  11.986
  486    HA   GLN  65           HA       GLN  65   0.282  -9.032  10.189
  487    HB2  GLN  65           2HB      GLN  65  -2.473  -9.362  11.396
  488    HB3  GLN  65           3HB      GLN  65  -1.755 -10.581  10.332
  489    HG2  GLN  65           2HG      GLN  65   0.106 -10.956  11.801
  490    HG3  GLN  65           3HG      GLN  65  -0.249  -9.537  12.764
  491   HE21  GLN  65          2HE2      GLN  65  -0.039 -11.158  14.597
  492   HE22  GLN  65          1HE2      GLN  65  -1.485 -12.046  15.017
  493    H    LYS  66           H        LYS  66  -2.700  -7.054   9.577
  494    HA   LYS  66           HA       LYS  66  -2.672  -7.952   6.827
  495    HB2  LYS  66           2HB      LYS  66  -4.550  -6.860   6.433
  496    HB3  LYS  66           3HB      LYS  66  -4.729  -7.120   8.162
  497    HG2  LYS  66           2HG      LYS  66  -4.239  -4.768   8.605
  498    HG3  LYS  66           3HG      LYS  66  -3.815  -4.493   6.901
  499    HD2  LYS  66           2HD      LYS  66  -6.149  -5.271   6.291
  500    HD3  LYS  66           3HD      LYS  66  -6.565  -5.239   8.005
  501    HE2  LYS  66           2HE      LYS  66  -5.419  -2.835   6.517
  502    HE3  LYS  66           3HE      LYS  66  -7.140  -3.224   6.471
  503    HZ1  LYS  66           3HZ      LYS  66  -7.173  -3.027   8.901
  504    HZ2  LYS  66           1HZ      LYS  66  -5.598  -2.540   8.923
  505    HZ3  LYS  66           2HZ      LYS  66  -6.726  -1.635   8.181
  506    H    GLN  67           H        GLN  67  -0.968  -5.379   8.537
  507    HA   GLN  67           HA       GLN  67  -0.239  -3.947   6.131
  508    HB2  GLN  67           2HB      GLN  67   1.368  -4.122   8.726
  509    HB3  GLN  67           3HB      GLN  67   1.606  -2.988   7.417
  510    HG2  GLN  67           2HG      GLN  67  -0.674  -3.057   9.398
  511    HG3  GLN  67           3HG      GLN  67   0.586  -1.861   9.259
  512   HE21  GLN  67          2HE2      GLN  67  -2.315  -1.424   9.261
  513   HE22  GLN  67          1HE2      GLN  67  -2.679  -0.651   7.726
  514    H    GLY  68           H        GLY  68   1.418  -6.335   8.159
  515    HA2  GLY  68           2HA      GLY  68   2.654  -8.188   6.825
  516    HA3  GLY  68           3HA      GLY  68   3.476  -6.810   6.058
  517    H    CYS  69           H        CYS  69   2.421  -7.371   9.483
  518    HA   CYS  69           HA       CYS  69   5.169  -7.497  10.474
  519    HG   CYS  69           HG       CYS  69   4.961  -5.177   8.973
  520    HB2  CYS  69           2HB      CYS  69   3.138  -5.301  11.108
  521    HB3  CYS  69           3HB      CYS  69   4.493  -5.693  12.178
  522    H    ASP  70           H        ASP  70   4.891  -7.841  13.015
  523    HA   ASP  70           HA       ASP  70   2.243  -8.832  13.810
  524    HB2  ASP  70           2HB      ASP  70   3.425 -10.854  12.908
  525    HB3  ASP  70           3HB      ASP  70   4.705 -10.598  14.101
  526    H    CYS  71           H        CYS  71   2.303  -9.246  16.301
  527    HA   CYS  71           HA       CYS  71   4.008  -7.090  17.472
  528    HG   CYS  71           HG       CYS  71   2.670  -5.054  16.894
  529    HB2  CYS  71           2HB      CYS  71   1.077  -7.770  17.922
  530    HB3  CYS  71           3HB      CYS  71   1.985  -6.579  18.855
  531    H    GLU  72           H        GLU  72   4.244  -7.045  19.732
  532    HA   GLU  72           HA       GLU  72   3.797  -9.450  21.380
  533    HB2  GLU  72           2HB      GLU  72   6.027  -9.809  20.535
  534    HB3  GLU  72           3HB      GLU  72   6.460  -8.110  20.725
  535    HG2  GLU  72           2HG      GLU  72   6.343  -8.341  23.190
  536    HG3  GLU  72           3HG      GLU  72   5.885 -10.036  23.010
  537    H    CYS  73           H        CYS  73   2.563  -8.503  23.034
  538    HA   CYS  73           HA       CYS  73   2.601  -5.667  23.565
  539    HG   CYS  73           HG       CYS  73  -0.078  -6.204  26.409
  540    HB2  CYS  73           2HB      CYS  73   0.673  -7.256  24.083
  541    HB3  CYS  73           3HB      CYS  73   1.644  -7.863  25.448
  542    H    LEU  74           H        LEU  74   3.728  -4.493  25.106
  543    HA   LEU  74           HA       LEU  74   5.815  -5.936  26.691
  544    HG   LEU  74           HG       LEU  74   6.208  -4.211  23.902
  545    HB2  LEU  74           2HB      LEU  74   5.683  -2.992  25.942
  546    HB3  LEU  74           3HB      LEU  74   6.979  -3.802  26.816
  547   HD11  LEU  74          1HD1      LEU  74   7.470  -2.151  24.330
  548   HD12  LEU  74          2HD1      LEU  74   8.702  -3.056  25.234
  549   HD13  LEU  74          3HD1      LEU  74   8.499  -3.314  23.493
  550   HD21  LEU  74          3HD2      LEU  74   8.177  -5.709  23.740
  551   HD22  LEU  74          1HD2      LEU  74   8.390  -5.627  25.504
  552   HD23  LEU  74          2HD2      LEU  74   6.949  -6.387  24.787
  553    H    GLY  75           H        GLY  75   2.792  -4.381  26.920
  554    HA2  GLY  75           2HA      GLY  75   1.871  -4.736  29.298
  555    HA3  GLY  75           3HA      GLY  75   3.152  -3.619  29.776
  556    H    GLY  76           H        GLY  76   0.866  -2.553  30.449
  557    HA2  GLY  76           2HA      GLY  76   0.618  -0.291  28.607
  558    HA3  GLY  76           3HA      GLY  76  -0.841  -1.253  28.749
  559    H    GLY  77           H        GLY  77  -1.732   0.765  29.594
  560    HA2  GLY  77           2HA      GLY  77  -1.811   1.064  32.433
  561    HA3  GLY  77           3HA      GLY  77  -0.740   2.278  31.721
  562    H    ARG  78           H        ARG  78  -2.137   4.028  32.137
  563    HA   ARG  78           HA       ARG  78  -4.564   4.250  30.433
  564    HE   ARG  78           HE       ARG  78  -5.167   1.205  33.484
  565    HB2  ARG  78           2HB      ARG  78  -4.436   4.235  33.459
  566    HB3  ARG  78           3HB      ARG  78  -5.537   5.367  32.680
  567    HG2  ARG  78           2HG      ARG  78  -6.924   3.771  31.820
  568    HG3  ARG  78           3HG      ARG  78  -5.698   2.509  31.757
  569    HD2  ARG  78           2HD      ARG  78  -6.646   3.580  34.426
  570    HD3  ARG  78           3HD      ARG  78  -7.584   2.361  33.547
  571   HH11  ARG  78          1HH2      ARG  78  -6.796   2.678  36.327
  572   HH12  ARG  78          2HH2      ARG  78  -6.060   1.508  37.412
  573   HH21  ARG  78          1HH1      ARG  78  -4.498  -0.416  35.006
  574   HH22  ARG  78          2HH1      ARG  78  -4.907  -0.155  36.712
  575    H    ILE  79           H        ILE  79  -5.258   6.445  30.188
  576    HA   ILE  79           HA       ILE  79  -3.286   8.562  30.826
  577    HB   ILE  79           HB       ILE  79  -4.431   7.884  28.066
  578   HG12  ILE  79          2HG1      ILE  79  -1.575   7.863  29.092
  579   HG13  ILE  79          3HG1      ILE  79  -2.525   6.441  28.677
  580   HG21  ILE  79          1HG2      ILE  79  -2.661  10.235  28.897
  581   HG22  ILE  79          2HG2      ILE  79  -3.105   9.826  27.225
  582   HG23  ILE  79          3HG2      ILE  79  -4.349  10.327  28.328
  583   HD11  ILE  79          3HD1      ILE  79  -0.994   6.789  26.904
  584   HD12  ILE  79          1HD1      ILE  79  -2.596   7.246  26.291
  585   HD13  ILE  79          2HD1      ILE  79  -1.406   8.495  26.749
  586    H    SER  80           H        SER  80  -4.343  10.651  30.833
  587    HA   SER  80           HA       SER  80  -7.288  10.673  30.457
  588    HG   SER  80           HG       SER  80  -6.880  10.730  34.052
  589    HB2  SER  80           2HB      SER  80  -5.830  12.179  32.660
  590    HB3  SER  80           3HB      SER  80  -7.576  12.131  32.354
  591    H    HIS  81           H        HIS  81  -7.635  12.033  28.750
  592    HA   HIS  81           HA       HIS  81  -5.600  13.655  27.607
  593    HD1  HIS  81           HD1      HIS  81  -5.863  14.214  24.691
  594    HD2  HIS  81           HD2      HIS  81  -8.953  16.366  26.566
  595    HE1  HIS  81           HE1      HIS  81  -6.057  16.421  23.441
  596    HB2  HIS  81           2HB      HIS  81  -7.608  12.842  26.405
  597    HB3  HIS  81           3HB      HIS  81  -8.627  13.894  27.396
  598    H    GLN  82           H        GLN  82  -4.958  15.740  27.979
  599    HA   GLN  82           HA       GLN  82  -4.382  17.460  29.327
  600    HB2  GLN  82           2HB      GLN  82  -7.352  18.003  29.003
  601    HB3  GLN  82           3HB      GLN  82  -6.184  19.163  29.656
  602    HG2  GLN  82           2HG      GLN  82  -4.914  19.154  27.565
  603    HG3  GLN  82           3HG      GLN  82  -5.969  17.917  26.886
  604   HE21  GLN  82          2HE2      GLN  82  -7.617  18.667  25.588
  605   HE22  GLN  82          1HE2      GLN  82  -8.284  20.291  25.671
  606    H    SER  83           H        SER  83  -4.045  15.491  30.884
  607    HA   SER  83           HA       SER  83  -5.566  15.180  33.228
  608    HG   SER  83           HG       SER  83  -4.196  13.504  31.735
  609    HB2  SER  83           2HB      SER  83  -2.545  15.196  33.260
  610    HB3  SER  83           3HB      SER  83  -3.662  14.155  34.152
  611    H    GLN  84           H        GLN  84  -3.260  17.691  32.268
  612    HA   GLN  84           HA       GLN  84  -4.230  19.436  34.448
  613    HB2  GLN  84           2HB      GLN  84  -1.328  19.028  33.572
  614    HB3  GLN  84           3HB      GLN  84  -1.894  20.503  34.341
  615    HG2  GLN  84           2HG      GLN  84  -0.967  19.241  36.089
  616    HG3  GLN  84           3HG      GLN  84  -2.709  19.170  36.299
  617   HE21  GLN  84          2HE2      GLN  84  -2.924  17.177  37.392
  618   HE22  GLN  84          1HE2      GLN  84  -2.318  15.664  36.770
  619    H    ASP  85           H        ASP  85  -3.811  21.768  33.698
  620    HA   ASP  85           HA       ASP  85  -5.429  22.173  31.513
  621    HB2  ASP  85           2HB      ASP  85  -5.041  23.759  33.359
  622    HB3  ASP  85           3HB      ASP  85  -3.430  24.108  32.732
  623    H    LYS  86           H        LYS  86  -1.954  21.743  31.367
  624    HA   LYS  86           HA       LYS  86  -1.980  22.502  28.475
  625    HB2  LYS  86           2HB      LYS  86   0.232  22.985  30.514
  626    HB3  LYS  86           3HB      LYS  86   0.331  23.326  28.783
  627    HG2  LYS  86           2HG      LYS  86  -1.568  24.935  28.996
  628    HG3  LYS  86           3HG      LYS  86  -1.572  24.665  30.752
  629    HD2  LYS  86           2HD      LYS  86   0.770  25.460  30.888
  630    HD3  LYS  86           3HD      LYS  86   0.773  25.747  29.132
  631    HE2  LYS  86           2HE      LYS  86  -1.111  27.347  29.395
  632    HE3  LYS  86           3HE      LYS  86  -1.117  27.064  31.139
  633    HZ1  LYS  86           3HZ      LYS  86   1.132  27.979  31.231
  634    HZ2  LYS  86           1HZ      LYS  86   1.134  28.245  29.609
  635    HZ3  LYS  86           2HZ      LYS  86   0.098  29.065  30.573
  636    H    LYS  87           H        LYS  87  -1.640  19.755  30.442
  637    HA   LYS  87           HA       LYS  87  -0.098  18.388  28.413
  638    HB2  LYS  87           2HB      LYS  87   1.800  17.726  29.780
  639    HB3  LYS  87           3HB      LYS  87   1.748  19.452  29.543
  640    HG2  LYS  87           2HG      LYS  87   2.440  19.233  31.716
  641    HG3  LYS  87           3HG      LYS  87   0.736  19.630  31.912
  642    HD2  LYS  87           2HD      LYS  87   0.207  17.329  32.496
  643    HD3  LYS  87           3HD      LYS  87   1.808  16.770  31.960
  644    HE2  LYS  87           2HE      LYS  87   2.897  18.078  33.732
  645    HE3  LYS  87           3HE      LYS  87   1.330  18.711  34.257
  646    HZ1  LYS  87           3HZ      LYS  87   2.019  16.867  35.638
  647    HZ2  LYS  87           1HZ      LYS  87   0.662  16.449  34.798
  648    HZ3  LYS  87           2HZ      LYS  87   2.135  15.858  34.348
  649    H    ILE  88           H        ILE  88   0.335  16.087  29.002
  650    HA   ILE  88           HA       ILE  88  -1.928  15.072  30.649
  651    HB   ILE  88           HB       ILE  88  -2.273  13.315  29.188
  652   HG12  ILE  88          2HG1      ILE  88   0.326  13.979  27.750
  653   HG13  ILE  88          3HG1      ILE  88  -0.008  12.564  28.750
  654   HG21  ILE  88          1HG2      ILE  88  -1.671  15.587  27.265
  655   HG22  ILE  88          2HG2      ILE  88  -2.971  14.379  27.181
  656   HG23  ILE  88          3HG2      ILE  88  -3.003  15.636  28.432
  657   HD11  ILE  88          3HD1      ILE  88  -0.157  11.837  26.504
  658   HD12  ILE  88          1HD1      ILE  88  -1.819  11.914  27.107
  659   HD13  ILE  88          2HD1      ILE  88  -1.199  13.192  26.034
  660    H    HIS  89           H        HIS  89  -1.676  12.874  31.439
  661    HA   HIS  89           HA       HIS  89   1.035  12.225  32.411
  662    HD1  HIS  89           HD1      HIS  89   2.098  13.095  34.978
  663    HD2  HIS  89           HD2      HIS  89  -0.896  10.241  35.744
  664    HE1  HIS  89           HE1      HIS  89   2.933  11.674  36.940
  665    HB2  HIS  89           2HB      HIS  89  -0.435  13.570  34.019
  666    HB3  HIS  89           3HB      HIS  89  -1.534  12.192  34.042
  667    H    VAL  90           H        VAL  90   1.248   9.952  32.916
  668    HA   VAL  90           HA       VAL  90  -0.849   8.153  31.813
  669    HB   VAL  90           HB       VAL  90   2.150   7.764  31.515
  670   HG11  VAL  90          1HG1      VAL  90   1.493   6.124  29.809
  671   HG12  VAL  90          2HG1      VAL  90   0.748   5.741  31.380
  672   HG13  VAL  90          3HG1      VAL  90  -0.217   6.472  30.100
  673   HG21  VAL  90          3HG2      VAL  90   0.259   9.042  29.498
  674   HG22  VAL  90          1HG2      VAL  90   1.730   9.739  30.193
  675   HG23  VAL  90          2HG2      VAL  90   1.854   8.371  29.089
  676    H    TYR  91           H        TYR  91  -1.232   6.304  33.134
  677    HA   TYR  91           HA       TYR  91   0.435   5.955  35.551
  678    HD1  TYR  91           HD2      TYR  91  -2.827   8.315  34.153
  679    HD2  TYR  91           HD1      TYR  91  -3.412   5.243  37.125
  680    HE1  TYR  91           HE2      TYR  91  -5.254   8.293  33.653
  681    HE2  TYR  91           HE1      TYR  91  -5.831   5.232  36.656
  682    HH   TYR  91           HH       TYR  91  -7.559   6.182  35.413
  683    HB2  TYR  91           2HB      TYR  91  -1.349   6.477  37.054
  684    HB3  TYR  91           3HB      TYR  91  -1.122   7.845  36.002
  685    H    GLY  92           H        GLY  92  -0.668   4.271  37.044
  686    HA2  GLY  92           2HA      GLY  92  -1.636   2.254  37.424
  687    HA3  GLY  92           3HA      GLY  92  -2.661   2.552  36.016
  688    H    TYR  93           H        TYR  93  -2.591   0.377  35.433
  689    HA   TYR  93           HA       TYR  93  -0.259  -0.531  33.942
  690    HD1  TYR  93           HD2      TYR  93  -2.777  -1.125  37.115
  691    HD2  TYR  93           HD1      TYR  93  -0.639  -4.585  35.671
  692    HE1  TYR  93           HE2      TYR  93  -4.370  -2.593  38.294
  693    HE2  TYR  93           HE1      TYR  93  -2.210  -6.059  36.863
  694    HH   TYR  93           HH       TYR  93  -4.055  -6.166  38.299
  695    HB2  TYR  93           2HB      TYR  93   0.143  -2.485  35.102
  696    HB3  TYR  93           3HB      TYR  93  -0.003  -1.313  36.389
  697    H    SER  94           H        SER  94  -0.947  -2.890  33.023
  698    HA   SER  94           HA       SER  94  -3.864  -2.884  32.394
  699    HG   SER  94           HG       SER  94  -3.349  -1.878  30.239
  700    HB2  SER  94           2HB      SER  94  -1.512  -3.967  30.811
  701    HB3  SER  94           3HB      SER  94  -3.222  -4.138  30.361
  702    H    MET  95           H        MET  95  -4.925  -4.432  33.395
  703    HA   MET  95           HA       MET  95  -3.847  -6.493  34.947
  704    HB2  MET  95           2HB      MET  95  -6.566  -6.446  33.553
  705    HB3  MET  95           3HB      MET  95  -6.112  -7.394  34.967
  706    HG2  MET  95           2HG      MET  95  -7.351  -5.623  35.835
  707    HG3  MET  95           3HG      MET  95  -5.680  -5.197  36.176
  708    HE1  MET  95           3HE      MET  95  -6.324  -2.738  36.783
  709    HE2  MET  95           1HE      MET  95  -7.347  -1.692  35.774
  710    HE3  MET  95           2HE      MET  95  -8.034  -3.149  36.526
  711    H    ALA  96           H        ALA  96  -4.520  -6.380  31.492
  712    HA   ALA  96           HA       ALA  96  -4.604  -9.153  30.959
  713    HB1  ALA  96           3HB      ALA  96  -3.846  -6.812  29.159
  714    HB2  ALA  96           1HB      ALA  96  -4.281  -8.440  28.608
  715    HB3  ALA  96           2HB      ALA  96  -5.490  -7.440  29.434
  716    H    TYR  97           H        TYR  97  -1.761  -7.093  31.553
  717    HA   TYR  97           HA       TYR  97  -0.029  -9.406  30.979
  718    HD1  TYR  97           HD1      TYR  97  -0.344  -5.237  29.486
  719    HD2  TYR  97           HD2      TYR  97  -0.923  -9.023  27.510
  720    HE1  TYR  97           HE1      TYR  97  -1.962  -4.172  27.954
  721    HE2  TYR  97           HE2      TYR  97  -2.532  -7.962  25.949
  722    HH   TYR  97           HH       TYR  97  -3.356  -4.483  26.088
  723    HB2  TYR  97           2HB      TYR  97   1.278  -7.161  29.734
  724    HB3  TYR  97           3HB      TYR  97   0.889  -8.725  29.086
  725    H    GLY  98           H        GLY  98   0.199  -5.833  31.679
  726    HA2  GLY  98           2HA      GLY  98   0.939  -5.891  34.285
  727    HA3  GLY  98           3HA      GLY  98   2.460  -6.230  33.436
  728    HA   PRO  99           HA       PRO  99   1.827  -1.538  33.499
  729    HB2  PRO  99           2HB      PRO  99   4.601  -1.775  34.622
  730    HB3  PRO  99           3HB      PRO  99   3.292  -0.654  35.088
  731    HG2  PRO  99           2HG      PRO  99   3.973  -2.796  36.648
  732    HG3  PRO  99           3HG      PRO  99   2.267  -2.288  36.462
  733    HD2  PRO  99           2HD      PRO  99   3.723  -4.539  35.063
  734    HD3  PRO  99           3HD      PRO  99   2.072  -4.513  35.756
  735    H    ALA 100           H        ALA 100   2.552  -0.468  31.684
  736    HA   ALA 100           HA       ALA 100   4.497  -1.664  29.858
  737    HB1  ALA 100           3HB      ALA 100   3.131   1.052  30.058
  738    HB2  ALA 100           1HB      ALA 100   4.284   0.652  28.767
  739    HB3  ALA 100           2HB      ALA 100   2.778  -0.245  28.897
  740    H    GLN 101           H        GLN 101   6.467  -0.426  29.231
  741    HA   GLN 101           HA       GLN 101   7.943   0.688  31.508
  742    HB2  GLN 101           2HB      GLN 101   8.706   0.099  28.615
  743    HB3  GLN 101           3HB      GLN 101   9.790   0.844  29.805
  744    HG2  GLN 101           2HG      GLN 101   9.550  -1.143  31.277
  745    HG3  GLN 101           3HG      GLN 101   8.485  -1.903  30.099
  746   HE21  GLN 101          2HE2      GLN 101   9.427  -3.060  28.385
  747   HE22  GLN 101          1HE2      GLN 101  11.149  -3.102  28.083
  748    H    HIS 102           H        HIS 102   6.121   2.266  31.638
  749    HA   HIS 102           HA       HIS 102   5.169   3.945  29.758
  750    HD1  HIS 102           HD1      HIS 102   4.653   2.404  33.762
  751    HD2  HIS 102           HD2      HIS 102   2.329   4.291  30.810
  752    HE1  HIS 102           HE1      HIS 102   2.359   1.308  33.826
  753    HB2  HIS 102           2HB      HIS 102   5.732   4.607  32.663
  754    HB3  HIS 102           3HB      HIS 102   4.658   5.539  31.623
  755    H    ALA 103           H        ALA 103   8.353   4.466  31.305
  756    HA   ALA 103           HA       ALA 103   8.715   7.163  30.540
  757    HB1  ALA 103           3HB      ALA 103  10.793   4.936  30.752
  758    HB2  ALA 103           1HB      ALA 103  11.122   6.681  30.753
  759    HB3  ALA 103           2HB      ALA 103  10.217   5.955  32.095
  760    H    ILE 104           H        ILE 104   9.052   4.160  28.623
  761    HA   ILE 104           HA       ILE 104  10.359   5.377  26.346
  762    HB   ILE 104           HB       ILE 104   8.578   2.894  26.516
  763   HG12  ILE 104          2HG1      ILE 104  11.609   3.174  26.764
  764   HG13  ILE 104          3HG1      ILE 104  10.492   2.675  28.035
  765   HG21  ILE 104          1HG2      ILE 104   8.823   3.748  24.209
  766   HG22  ILE 104          2HG2      ILE 104  10.592   3.698  24.371
  767   HG23  ILE 104          3HG2      ILE 104   9.625   2.207  24.399
  768   HD11  ILE 104          3HD1      ILE 104  11.249   1.093  25.562
  769   HD12  ILE 104          1HD1      ILE 104  11.549   0.703  27.260
  770   HD13  ILE 104          2HD1      ILE 104   9.890   0.656  26.628
  771    H    SER 105           H        SER 105   6.944   4.556  27.194
  772    HA   SER 105           HA       SER 105   5.755   5.592  24.941
  773    HG   SER 105           HG       SER 105   4.060   3.455  27.359
  774    HB2  SER 105           2HB      SER 105   4.511   5.639  27.712
  775    HB3  SER 105           3HB      SER 105   3.704   5.399  26.155
  776    H    THR 106           H        THR 106   6.423   7.375  28.063
  777    HA   THR 106           HA       THR 106   5.058   9.694  27.154
  778    HB   THR 106           HB       THR 106   6.334  10.840  29.012
  779    HG1  THR 106           1HG      THR 106   8.173   9.553  29.180
  780   HG21  THR 106          3HG2      THR 106   4.098   9.631  29.236
  781   HG22  THR 106          1HG2      THR 106   4.999   8.246  29.877
  782   HG23  THR 106          2HG2      THR 106   5.050   9.817  30.711
  783    H    GLU 107           H        GLU 107   8.511   8.716  26.752
  784    HA   GLU 107           HA       GLU 107   9.318  11.262  25.736
  785    HB2  GLU 107           2HB      GLU 107  10.384   8.453  25.287
  786    HB3  GLU 107           3HB      GLU 107  11.141   9.898  24.618
  787    HG2  GLU 107           2HG      GLU 107  10.698   9.499  27.605
  788    HG3  GLU 107           3HG      GLU 107  12.158   8.990  26.764
  789    H    LYS 108           H        LYS 108   8.021   8.317  24.180
  790    HA   LYS 108           HA       LYS 108   8.252   9.248  21.475
  791    HB2  LYS 108           2HB      LYS 108   6.495   7.192  22.857
  792    HB3  LYS 108           3HB      LYS 108   6.353   7.518  21.119
  793    HG2  LYS 108           2HG      LYS 108   8.622   6.833  20.698
  794    HG3  LYS 108           3HG      LYS 108   9.012   6.801  22.418
  795    HD2  LYS 108           2HD      LYS 108   8.742   4.521  21.602
  796    HD3  LYS 108           3HD      LYS 108   7.508   4.927  22.795
  797    HE2  LYS 108           2HE      LYS 108   6.446   3.664  21.082
  798    HE3  LYS 108           3HE      LYS 108   5.867   5.330  20.962
  799    HZ1  LYS 108           3HZ      LYS 108   7.770   3.947  19.160
  800    HZ2  LYS 108           1HZ      LYS 108   6.319   4.592  18.807
  801    HZ3  LYS 108           2HZ      LYS 108   7.532   5.600  19.106
  802    H    ILE 109           H        ILE 109   5.486   9.437  23.798
  803    HA   ILE 109           HA       ILE 109   3.753  10.885  22.056
  804    HB   ILE 109           HB       ILE 109   3.987  10.959  25.093
  805   HG12  ILE 109          2HG1      ILE 109   1.876   9.468  23.475
  806   HG13  ILE 109          3HG1      ILE 109   3.390   8.699  23.898
  807   HG21  ILE 109          1HG2      ILE 109   1.649  11.847  23.328
  808   HG22  ILE 109          2HG2      ILE 109   1.693  11.871  25.102
  809   HG23  ILE 109          3HG2      ILE 109   2.731  12.948  24.188
  810   HD11  ILE 109          3HD1      ILE 109   1.381   9.785  25.910
  811   HD12  ILE 109          1HD1      ILE 109   1.691   8.088  25.513
  812   HD13  ILE 109          2HD1      ILE 109   2.949   9.051  26.307
  813    H    LYS 110           H        LYS 110   6.140  12.063  24.505
  814    HA   LYS 110           HA       LYS 110   5.688  14.795  24.161
  815    HB2  LYS 110           2HB      LYS 110   6.934  13.676  26.003
  816    HB3  LYS 110           3HB      LYS 110   8.281  13.351  24.902
  817    HG2  LYS 110           2HG      LYS 110   8.737  15.741  24.700
  818    HG3  LYS 110           3HG      LYS 110   7.221  16.135  25.527
  819    HD2  LYS 110           2HD      LYS 110   9.190  16.440  26.991
  820    HD3  LYS 110           3HD      LYS 110   8.029  15.261  27.627
  821    HE2  LYS 110           2HE      LYS 110   9.432  13.407  26.746
  822    HE3  LYS 110           3HE      LYS 110  10.597  14.573  26.114
  823    HZ1  LYS 110           3HZ      LYS 110   9.920  14.316  28.982
  824    HZ2  LYS 110           1HZ      LYS 110  11.155  13.526  28.246
  825    HZ3  LYS 110           2HZ      LYS 110  11.164  15.180  28.335
  826    H    ALA 111           H        ALA 111   7.889  12.670  22.297
  827    HA   ALA 111           HA       ALA 111   9.134  14.764  20.841
  828    HB1  ALA 111           3HB      ALA 111  10.098  12.530  21.006
  829    HB2  ALA 111           1HB      ALA 111   8.705  11.818  20.166
  830    HB3  ALA 111           2HB      ALA 111   9.804  12.921  19.300
  831    H    LYS 112           H        LYS 112   6.161  12.830  20.150
  832    HA   LYS 112           HA       LYS 112   5.997  14.059  17.461
  833    HB2  LYS 112           2HB      LYS 112   4.557  11.794  18.863
  834    HB3  LYS 112           3HB      LYS 112   3.882  12.522  17.414
  835    HG2  LYS 112           2HG      LYS 112   5.087  10.611  16.709
  836    HG3  LYS 112           3HG      LYS 112   5.948  12.041  16.146
  837    HD2  LYS 112           2HD      LYS 112   7.568  11.737  18.063
  838    HD3  LYS 112           3HD      LYS 112   6.693  10.247  18.494
  839    HE2  LYS 112           2HE      LYS 112   7.155   9.511  16.059
  840    HE3  LYS 112           3HE      LYS 112   8.265  10.883  15.964
  841    HZ1  LYS 112           3HZ      LYS 112   9.433   9.882  17.912
  842    HZ2  LYS 112           1HZ      LYS 112   8.430   8.562  17.799
  843    HZ3  LYS 112           2HZ      LYS 112   9.470   8.927  16.586
  844    H    TYR 113           H        TYR 113   3.992  13.998  20.460
  845    HA   TYR 113           HA       TYR 113   1.871  15.541  19.205
  846    HD1  TYR 113           HD2      TYR 113   2.244  12.269  20.433
  847    HD2  TYR 113           HD1      TYR 113  -0.999  15.055  21.031
  848    HE1  TYR 113           HE2      TYR 113   0.625  10.579  19.596
  849    HE2  TYR 113           HE1      TYR 113  -2.610  13.369  20.226
  850    HH   TYR 113           HH       TYR 113  -2.883  11.257  19.305
  851    HB2  TYR 113           2HB      TYR 113   2.401  14.441  21.983
  852    HB3  TYR 113           3HB      TYR 113   1.161  15.639  21.745
  853    HA   PRO 114           HA       PRO 114   3.421  19.577  20.262
  854    HB2  PRO 114           2HB      PRO 114   1.166  21.048  20.780
  855    HB3  PRO 114           3HB      PRO 114   1.597  20.455  19.148
  856    HG2  PRO 114           2HG      PRO 114  -0.299  19.182  21.147
  857    HG3  PRO 114           3HG      PRO 114  -0.590  19.521  19.409
  858    HD2  PRO 114           2HD      PRO 114   0.197  17.069  20.270
  859    HD3  PRO 114           3HD      PRO 114   0.815  17.742  18.735
  860    H    ASP 115           H        ASP 115   1.801  17.638  22.636
  861    HA   ASP 115           HA       ASP 115   2.246  19.394  24.928
  862    HB2  ASP 115           2HB      ASP 115   0.543  17.642  25.042
  863    HB3  ASP 115           3HB      ASP 115   1.754  16.397  24.723
  864    H    TYR 116           H        TYR 116   4.272  19.887  25.543
  865    HA   TYR 116           HA       TYR 116   6.503  18.046  24.886
  866    HD1  TYR 116           HD2      TYR 116   6.771  18.398  22.699
  867    HD2  TYR 116           HD1      TYR 116   6.300  22.573  23.717
  868    HE1  TYR 116           HE2      TYR 116   6.268  18.911  20.347
  869    HE2  TYR 116           HE1      TYR 116   5.799  23.093  21.354
  870    HH   TYR 116           HH       TYR 116   5.529  22.230  19.203
  871    HB2  TYR 116           2HB      TYR 116   6.602  21.015  25.455
  872    HB3  TYR 116           3HB      TYR 116   7.942  19.999  24.939
  873    H    GLU 117           H        GLU 117   4.548  18.268  27.405
  874    HA   GLU 117           HA       GLU 117   6.702  18.002  29.415
  875    HB2  GLU 117           2HB      GLU 117   5.704  20.377  29.269
  876    HB3  GLU 117           3HB      GLU 117   4.221  19.689  29.928
  877    HG2  GLU 117           2HG      GLU 117   5.476  18.970  31.959
  878    HG3  GLU 117           3HG      GLU 117   6.984  19.509  31.228
  879    H    VAL 118           H        VAL 118   5.246  16.043  27.997
  880    HA   VAL 118           HA       VAL 118   3.126  14.837  29.407
  881    HB   VAL 118           HB       VAL 118   5.402  13.373  28.000
  882   HG11  VAL 118          1HG1      VAL 118   3.639  11.740  27.405
  883   HG12  VAL 118          2HG1      VAL 118   3.761  11.918  29.157
  884   HG13  VAL 118          3HG1      VAL 118   2.437  12.708  28.286
  885   HG21  VAL 118          3HG2      VAL 118   2.947  14.579  26.662
  886   HG22  VAL 118          1HG2      VAL 118   4.617  15.143  26.441
  887   HG23  VAL 118          2HG2      VAL 118   4.161  13.534  25.903
  888    H    THR 119           H        THR 119   3.134  13.235  31.104
  889    HA   THR 119           HA       THR 119   5.666  12.761  32.573
  890    HB   THR 119           HB       THR 119   4.328  13.279  34.711
  891    HG1  THR 119           1HG      THR 119   2.679  14.422  32.729
  892   HG21  THR 119          3HG2      THR 119   5.012  15.663  32.961
  893   HG22  THR 119          1HG2      THR 119   4.888  15.624  34.734
  894   HG23  THR 119          2HG2      THR 119   6.168  14.713  33.918
  895    H    TRP 120           H        TRP 120   5.281  11.043  34.359
  896    HA   TRP 120           HA       TRP 120   2.842   9.547  34.106
  897    HD1  TRP 120           HD1      TRP 120   6.831   9.323  32.194
  898    HE1  TRP 120           HE1      TRP 120   8.974   8.181  32.941
  899    HE3  TRP 120           HE3      TRP 120   4.798   5.713  35.195
  900    HZ2  TRP 120           HZ2      TRP 120   9.739   5.939  34.637
  901    HZ3  TRP 120           HZ3      TRP 120   6.255   4.082  36.359
  902    HH2  TRP 120           HH2      TRP 120   8.725   4.184  36.088
  903    HB2  TRP 120           2HB      TRP 120   3.799   7.400  33.574
  904    HB3  TRP 120           3HB      TRP 120   4.198   8.508  32.293
  905    H    ALA 121           H        ALA 121   2.791   7.728  35.719
  906    HA   ALA 121           HA       ALA 121   4.859   7.699  37.789
  907    HB1  ALA 121           3HB      ALA 121   3.274   9.420  38.649
  908    HB2  ALA 121           1HB      ALA 121   1.926   8.275  38.453
  909    HB3  ALA 121           2HB      ALA 121   3.213   7.945  39.630
  910    H    ASN 122           H        ASN 122   4.750   5.703  38.990
  911    HA   ASN 122           HA       ASN 122   3.584   3.459  37.558
  912    HB2  ASN 122           2HB      ASN 122   5.734   3.268  38.755
  913    HB3  ASN 122           3HB      ASN 122   4.937   3.659  40.286
  914   HD21  ASN 122          2HD2      ASN 122   4.321   1.884  41.520
  915   HD22  ASN 122          1HD2      ASN 122   3.945   0.309  40.854
  916    H    ASP 123           H        ASP 123   2.571   5.506  40.201
  917    HA   ASP 123           HA       ASP 123   0.794   3.810  41.592
  918    HB2  ASP 123           2HB      ASP 123   1.736   5.936  42.433
  919    HB3  ASP 123           3HB      ASP 123   0.797   6.833  41.237
  920    H    GLY 124           H        GLY 124  -1.609   4.211  41.746
  921    HA2  GLY 124           2HA      GLY 124  -3.697   4.638  40.877
  922    HA3  GLY 124           3HA      GLY 124  -2.986   5.172  39.351
  923    H    TYR 125           H        TYR 125  -2.320   2.045  40.905
  924    HA   TYR 125           HA       TYR 125  -2.788   0.394  38.702
  925    HD1  TYR 125           HD1      TYR 125  -1.215  -2.197  39.179
  926    HD2  TYR 125           HD2      TYR 125  -0.803   0.854  42.196
  927    HE1  TYR 125           HE1      TYR 125   1.217  -2.593  39.223
  928    HE2  TYR 125           HE2      TYR 125   1.641   0.464  42.254
  929    HH   TYR 125           HH       TYR 125   3.234  -2.055  40.249
  930    HB2  TYR 125           2HB      TYR 125  -3.021  -0.187  41.676
  931    HB3  TYR 125           3HB      TYR 125  -3.143  -1.412  40.434
  Start of MODEL   21
    1    HA   MET   1           HA       MET   1  -1.910  -9.017   1.458
    2    H1   MET   1           H1       MET   1  -0.195 -10.531   2.027
    3    H2   MET   1           H2       MET   1  -1.143 -10.219   3.331
    4    H3   MET   1           H3       MET   1   0.360  -9.551   3.227
    5    HB2  MET   1           2HB      MET   1  -2.039  -8.067   3.796
    6    HB3  MET   1           3HB      MET   1  -0.679  -7.026   3.400
    7    HG2  MET   1           2HG      MET   1  -3.292  -7.180   1.829
    8    HG3  MET   1           3HG      MET   1  -3.024  -6.054   3.146
    9    HE1  MET   1           3HE      MET   1  -1.720  -3.846   3.041
   10    HE2  MET   1           1HE      MET   1  -0.219  -4.770   2.825
   11    HE3  MET   1           2HE      MET   1  -0.588  -3.414   1.743
   12    H    ALA   2           H        ALA   2   1.029  -7.033   2.231
   13    HA   ALA   2           HA       ALA   2   2.219  -7.540  -0.379
   14    HB1  ALA   2           3HB      ALA   2   1.159  -4.765   0.332
   15    HB2  ALA   2           1HB      ALA   2   2.078  -5.201  -1.119
   16    HB3  ALA   2           2HB      ALA   2   0.447  -5.836  -0.899
   17    H    VAL   3           H        VAL   3   4.056  -5.558  -0.453
   18    HA   VAL   3           HA       VAL   3   5.738  -5.911   1.861
   19    HB   VAL   3           HB       VAL   3   7.148  -4.208   0.684
   20   HG11  VAL   3          1HG1      VAL   3   7.845  -5.698  -1.120
   21   HG12  VAL   3          2HG1      VAL   3   7.451  -6.634   0.330
   22   HG13  VAL   3          3HG1      VAL   3   6.310  -6.584  -1.039
   23   HG21  VAL   3          3HG2      VAL   3   5.355  -2.984  -0.560
   24   HG22  VAL   3          1HG2      VAL   3   6.668  -3.539  -1.604
   25   HG23  VAL   3          2HG2      VAL   3   5.121  -4.403  -1.602
   26    H    ALA   4           H        ALA   4   6.493  -4.151   3.179
   27    HA   ALA   4           HA       ALA   4   5.087  -1.681   3.471
   28    HB1  ALA   4           3HB      ALA   4   4.788  -3.843   5.628
   29    HB2  ALA   4           1HB      ALA   4   4.347  -2.133   5.825
   30    HB3  ALA   4           2HB      ALA   4   3.471  -3.135   4.661
   31    H    ASP   5           H        ASP   5   6.122  -0.719   5.701
   32    HA   ASP   5           HA       ASP   5   8.699  -1.853   6.429
   33    HB2  ASP   5           2HB      ASP   5   9.288  -0.449   4.450
   34    HB3  ASP   5           3HB      ASP   5   8.511   0.940   5.217
   35    H    LEU   6           H        LEU   6   9.386  -0.897   8.473
   36    HA   LEU   6           HA       LEU   6   7.211  -0.300  10.208
   37    HG   LEU   6           HG       LEU   6   9.622  -2.319  10.375
   38    HB2  LEU   6           2HB      LEU   6  10.208   0.078  10.584
   39    HB3  LEU   6           3HB      LEU   6   9.012   0.260  11.865
   40   HD11  LEU   6          1HD1      LEU   6  10.187  -1.421  13.238
   41   HD12  LEU   6          2HD1      LEU   6  10.516  -3.024  12.553
   42   HD13  LEU   6          3HD1      LEU   6  11.385  -1.621  11.937
   43   HD21  LEU   6          3HD2      LEU   6   7.643  -1.760  12.640
   44   HD22  LEU   6          1HD2      LEU   6   7.270  -2.385  11.013
   45   HD23  LEU   6          2HD2      LEU   6   8.174  -3.379  12.145
   46    H    ALA   7           H        ALA   7   9.176   1.888   8.242
   47    HA   ALA   7           HA       ALA   7   8.706   4.276   9.720
   48    HB1  ALA   7           3HB      ALA   7   8.976   3.867   6.711
   49    HB2  ALA   7           1HB      ALA   7   9.168   5.405   7.579
   50    HB3  ALA   7           2HB      ALA   7  10.323   4.081   7.853
   51    H    LEU   8           H        LEU   8   6.524   2.344   7.719
   52    HA   LEU   8           HA       LEU   8   4.656   4.501   7.144
   53    HG   LEU   8           HG       LEU   8   6.042   2.078   5.488
   54    HB2  LEU   8           2HB      LEU   8   4.248   1.480   7.097
   55    HB3  LEU   8           3HB      LEU   8   3.184   2.680   6.377
   56   HD11  LEU   8          1HD1      LEU   8   5.000   1.106   3.511
   57   HD12  LEU   8          2HD1      LEU   8   4.364   0.311   4.965
   58   HD13  LEU   8          3HD1      LEU   8   3.379   1.517   4.117
   59   HD21  LEU   8          3HD2      LEU   8   3.991   4.008   4.314
   60   HD22  LEU   8          1HD2      LEU   8   5.555   4.438   5.053
   61   HD23  LEU   8          2HD2      LEU   8   5.520   3.532   3.538
   62    H    ILE   9           H        ILE   9   5.221   2.375   9.857
   63    HA   ILE   9           HA       ILE   9   2.472   2.553  10.867
   64    HB   ILE   9           HB       ILE   9   5.016   1.162  11.779
   65   HG12  ILE   9          2HG1      ILE   9   2.369  -0.100  10.969
   66   HG13  ILE   9          3HG1      ILE   9   3.542   0.354   9.747
   67   HG21  ILE   9          1HG2      ILE   9   3.616   0.024  13.522
   68   HG22  ILE   9          2HG2      ILE   9   3.820   1.746  13.825
   69   HG23  ILE   9          3HG2      ILE   9   2.289   1.144  13.146
   70   HD11  ILE   9          3HD1      ILE   9   3.718  -2.006  10.375
   71   HD12  ILE   9          1HD1      ILE   9   5.224  -1.112  10.636
   72   HD13  ILE   9          2HD1      ILE   9   4.203  -1.549  12.019
   73    HA   PRO  10           HA       PRO  10   3.767   6.328  12.946
   74    HB2  PRO  10           2HB      PRO  10   1.603   6.772  14.594
   75    HB3  PRO  10           3HB      PRO  10   1.587   7.072  12.830
   76    HG2  PRO  10           2HG      PRO  10   0.565   4.642  14.318
   77    HG3  PRO  10           3HG      PRO  10  -0.245   5.566  13.016
   78    HD2  PRO  10           2HD      PRO  10   1.118   3.257  12.519
   79    HD3  PRO  10           3HD      PRO  10   1.136   4.614  11.353
   80    H    ASP  11           H        ASP  11   4.723   6.887  14.937
   81    HA   ASP  11           HA       ASP  11   5.617   4.706  16.592
   82    HB2  ASP  11           2HB      ASP  11   7.005   6.639  15.927
   83    HB3  ASP  11           3HB      ASP  11   5.955   7.718  16.849
   84    H    VAL  12           H        VAL  12   3.231   7.301  16.959
   85    HA   VAL  12           HA       VAL  12   2.160   6.079  19.416
   86    HB   VAL  12           HB       VAL  12   2.576   9.069  18.974
   87   HG11  VAL  12          1HG1      VAL  12   0.532   8.584  20.268
   88   HG12  VAL  12          2HG1      VAL  12   1.465   7.576  21.395
   89   HG13  VAL  12          3HG1      VAL  12   1.765   9.325  21.284
   90   HG21  VAL  12          3HG2      VAL  12   4.728   8.049  19.529
   91   HG22  VAL  12          1HG2      VAL  12   4.115   8.958  20.895
   92   HG23  VAL  12          2HG2      VAL  12   3.998   7.182  20.895
   93    H    ASP  13           H        ASP  13  -0.072   5.928  19.199
   94    HA   ASP  13           HA       ASP  13  -1.510   7.776  17.472
   95    HB2  ASP  13           2HB      ASP  13  -0.946   6.057  15.808
   96    HB3  ASP  13           3HB      ASP  13  -1.572   4.793  16.871
   97    H    ILE  14           H        ILE  14  -3.211   8.323  18.716
   98    HA   ILE  14           HA       ILE  14  -4.294   6.445  20.656
   99    HB   ILE  14           HB       ILE  14  -4.006   8.166  22.493
  100   HG12  ILE  14          2HG1      ILE  14  -1.980   9.426  20.589
  101   HG13  ILE  14          3HG1      ILE  14  -3.490  10.147  21.141
  102   HG21  ILE  14          1HG2      ILE  14  -1.827   7.393  23.164
  103   HG22  ILE  14          2HG2      ILE  14  -2.616   6.092  22.273
  104   HG23  ILE  14          3HG2      ILE  14  -1.359   7.059  21.484
  105   HD11  ILE  14          3HD1      ILE  14  -1.657  11.125  22.365
  106   HD12  ILE  14          1HD1      ILE  14  -2.586  10.120  23.492
  107   HD13  ILE  14          2HD1      ILE  14  -1.029   9.547  22.842
  108    H    ASP  15           H        ASP  15  -6.283   7.215  21.654
  109    HA   ASP  15           HA       ASP  15  -7.544   9.630  20.483
  110    HB2  ASP  15           2HB      ASP  15  -8.298   7.835  18.978
  111    HB3  ASP  15           3HB      ASP  15  -8.819   6.869  20.370
  112    H    SER  16           H        SER  16  -8.581  10.710  22.070
  113    HA   SER  16           HA       SER  16  -8.996   9.378  24.697
  114    HG   SER  16           HG       SER  16  -6.764  12.725  24.067
  115    HB2  SER  16           2HB      SER  16  -7.955  11.458  25.619
  116    HB3  SER  16           3HB      SER  16  -6.875  10.521  24.570
  117    H    ASP  17           H        ASP  17 -10.008  11.121  26.218
  118    HA   ASP  17           HA       ASP  17 -11.779  13.104  25.240
  119    HB2  ASP  17           2HB      ASP  17 -13.321  11.300  24.665
  120    HB3  ASP  17           3HB      ASP  17 -13.101  10.552  26.249
  121    H    GLY  18           H        GLY  18 -10.955  10.752  27.761
  122    HA2  GLY  18           2HA      GLY  18 -10.223  12.859  29.644
  123    HA3  GLY  18           3HA      GLY  18 -11.480  11.719  30.187
  124    H    VAL  19           H        VAL  19 -10.452  10.137  31.438
  125    HA   VAL  19           HA       VAL  19  -7.776   9.155  30.922
  126    HB   VAL  19           HB       VAL  19 -10.053   7.843  32.472
  127   HG11  VAL  19          1HG1      VAL  19  -8.232   6.285  32.039
  128   HG12  VAL  19          2HG1      VAL  19  -7.031   7.482  32.556
  129   HG13  VAL  19          3HG1      VAL  19  -8.164   6.775  33.737
  130   HG21  VAL  19          3HG2      VAL  19  -7.958   9.814  33.468
  131   HG22  VAL  19          1HG2      VAL  19  -9.718  10.058  33.446
  132   HG23  VAL  19          2HG2      VAL  19  -9.014   8.842  34.508
  133    H    PHE  20           H        PHE  20  -7.189   7.302  29.694
  134    HA   PHE  20           HA       PHE  20  -9.264   5.489  28.699
  135    HD1  PHE  20           HD1      PHE  20  -7.473   9.015  27.593
  136    HD2  PHE  20           HD2      PHE  20  -6.414   5.519  25.321
  137    HE1  PHE  20           HE1      PHE  20  -5.503  10.208  26.691
  138    HE2  PHE  20           HE2      PHE  20  -4.449   6.714  24.401
  139    HZ   PHE  20           HZ       PHE  20  -4.004   9.070  25.055
  140    HB2  PHE  20           2HB      PHE  20  -8.518   5.606  26.391
  141    HB3  PHE  20           3HB      PHE  20  -9.181   7.141  26.910
  142    H    LYS  21           H        LYS  21  -8.363   3.412  28.121
  143    HA   LYS  21           HA       LYS  21  -5.876   2.752  29.506
  144    HB2  LYS  21           2HB      LYS  21  -7.746   1.136  27.705
  145    HB3  LYS  21           3HB      LYS  21  -6.267   0.491  28.429
  146    HG2  LYS  21           2HG      LYS  21  -7.140   1.077  30.703
  147    HG3  LYS  21           3HG      LYS  21  -8.677   1.566  29.962
  148    HD2  LYS  21           2HD      LYS  21  -9.019  -0.730  29.106
  149    HD3  LYS  21           3HD      LYS  21  -7.413  -1.189  29.686
  150    HE2  LYS  21           2HE      LYS  21  -8.865  -2.068  31.311
  151    HE3  LYS  21           3HE      LYS  21  -8.154  -0.631  32.035
  152    HZ1  LYS  21           3HZ      LYS  21 -10.433  -0.645  32.501
  153    HZ2  LYS  21           1HZ      LYS  21 -10.257   0.526  31.354
  154    HZ3  LYS  21           2HZ      LYS  21 -10.887  -0.948  30.945
  155    H    TYR  22           H        TYR  22  -3.964   1.905  28.501
  156    HA   TYR  22           HA       TYR  22  -3.716   2.131  25.613
  157    HD1  TYR  22           HD1      TYR  22  -1.647   3.800  29.122
  158    HD2  TYR  22           HD2      TYR  22   0.043   3.007  25.252
  159    HE1  TYR  22           HE1      TYR  22   0.586   3.647  30.147
  160    HE2  TYR  22           HE2      TYR  22   2.306   2.851  26.262
  161    HH   TYR  22           HH       TYR  22   3.567   3.235  28.146
  162    HB2  TYR  22           2HB      TYR  22  -2.203   3.771  25.456
  163    HB3  TYR  22           3HB      TYR  22  -2.883   4.336  26.952
  164    H    VAL  23           H        VAL  23  -1.636   1.133  24.902
  165    HA   VAL  23           HA       VAL  23  -0.500  -0.836  26.766
  166    HB   VAL  23           HB       VAL  23  -2.454  -1.888  25.707
  167   HG11  VAL  23          1HG1      VAL  23  -2.604  -0.635  23.634
  168   HG12  VAL  23          2HG1      VAL  23  -1.080  -1.321  23.060
  169   HG13  VAL  23          3HG1      VAL  23  -2.499  -2.368  23.295
  170   HG21  VAL  23          3HG2      VAL  23   0.175  -3.054  24.741
  171   HG22  VAL  23          1HG2      VAL  23  -0.643  -3.356  26.284
  172   HG23  VAL  23          2HG2      VAL  23  -1.388  -3.897  24.774
  173    H    LEU  24           H        LEU  24   1.593  -1.509  26.125
  174    HA   LEU  24           HA       LEU  24   2.949   0.236  24.121
  175    HG   LEU  24           HG       LEU  24   4.946   1.439  25.108
  176    HB2  LEU  24           2HB      LEU  24   3.478   0.388  26.686
  177    HB3  LEU  24           3HB      LEU  24   4.238  -1.188  26.486
  178   HD11  LEU  24          1HD1      LEU  24   7.030   1.285  26.383
  179   HD12  LEU  24          2HD1      LEU  24   5.653   1.201  27.479
  180   HD13  LEU  24          3HD1      LEU  24   6.541  -0.281  27.061
  181   HD21  LEU  24          3HD2      LEU  24   7.005   0.165  24.274
  182   HD22  LEU  24          1HD2      LEU  24   6.103  -1.325  24.621
  183   HD23  LEU  24          2HD2      LEU  24   5.490  -0.151  23.429
  184    H    ILE  25           H        ILE  25   3.593  -0.971  22.346
  185    HA   ILE  25           HA       ILE  25   3.663  -3.948  22.630
  186    HB   ILE  25           HB       ILE  25   2.315  -2.294  20.447
  187   HG12  ILE  25          2HG1      ILE  25   1.041  -4.116  22.544
  188   HG13  ILE  25          3HG1      ILE  25   0.984  -2.355  22.562
  189   HG21  ILE  25          1HG2      ILE  25   1.608  -4.433  19.482
  190   HG22  ILE  25          2HG2      ILE  25   3.338  -4.420  19.611
  191   HG23  ILE  25          3HG2      ILE  25   2.390  -5.322  20.814
  192   HD11  ILE  25          3HD1      ILE  25  -0.295  -4.081  20.400
  193   HD12  ILE  25          1HD1      ILE  25  -1.112  -3.278  21.721
  194   HD13  ILE  25          2HD1      ILE  25  -0.299  -2.304  20.483
  195    H    ARG  26           H        ARG  26   5.231  -4.950  21.394
  196    HA   ARG  26           HA       ARG  26   7.116  -3.192  19.895
  197    HE   ARG  26           HE       ARG  26  10.971  -4.325  21.183
  198    HB2  ARG  26           2HB      ARG  26   8.211  -4.567  21.576
  199    HB3  ARG  26           3HB      ARG  26   7.422  -6.023  20.963
  200    HG2  ARG  26           2HG      ARG  26   8.601  -5.801  18.801
  201    HG3  ARG  26           3HG      ARG  26   9.348  -4.288  19.343
  202    HD2  ARG  26           2HD      ARG  26   9.744  -7.016  20.621
  203    HD3  ARG  26           3HD      ARG  26  10.871  -6.239  19.507
  204   HH11  ARG  26          1HH2      ARG  26  10.175  -7.625  22.459
  205   HH12  ARG  26          2HH2      ARG  26  11.000  -7.322  23.932
  206   HH21  ARG  26          1HH1      ARG  26  11.764  -3.915  23.052
  207   HH22  ARG  26          2HH1      ARG  26  11.900  -5.089  24.358
  208    H    VAL  27           H        VAL  27   7.081  -3.381  17.713
  209    HA   VAL  27           HA       VAL  27   5.290  -5.431  16.515
  210    HB   VAL  27           HB       VAL  27   4.318  -3.240  16.314
  211   HG11  VAL  27          1HG1      VAL  27   5.368  -1.384  15.067
  212   HG12  VAL  27          2HG1      VAL  27   6.238  -1.748  16.559
  213   HG13  VAL  27          3HG1      VAL  27   6.894  -2.292  14.996
  214   HG21  VAL  27          3HG2      VAL  27   4.064  -3.089  13.903
  215   HG22  VAL  27          1HG2      VAL  27   5.527  -4.052  13.642
  216   HG23  VAL  27          2HG2      VAL  27   4.099  -4.786  14.412
  217    H    HIS  28           H        HIS  28   6.135  -6.544  14.789
  218    HA   HIS  28           HA       HIS  28   9.064  -6.328  14.261
  219    HD1  HIS  28           HD1      HIS  28  10.360  -7.906  16.474
  220    HD2  HIS  28           HD2      HIS  28   6.370  -9.231  16.661
  221    HE1  HIS  28           HE1      HIS  28   9.938  -8.655  18.899
  222    HB2  HIS  28           2HB      HIS  28   7.312  -8.824  14.272
  223    HB3  HIS  28           3HB      HIS  28   9.059  -8.745  14.101
  224    H    SER  29           H        SER  29   9.506  -6.176  12.073
  225    HA   SER  29           HA       SER  29   7.279  -6.011  10.198
  226    HG   SER  29           HG       SER  29  10.777  -5.605  10.812
  227    HB2  SER  29           2HB      SER  29   9.072  -5.583   8.519
  228    HB3  SER  29           3HB      SER  29   9.042  -4.457   9.877
  229    H    ALA  30           H        ALA  30   6.716  -7.438   8.606
  230    HA   ALA  30           HA       ALA  30   8.406  -9.689   7.912
  231    HB1  ALA  30           3HB      ALA  30   6.643 -11.375   8.224
  232    HB2  ALA  30           1HB      ALA  30   7.164 -10.677   9.775
  233    HB3  ALA  30           2HB      ALA  30   5.617 -10.167   9.044
  234    HA   PRO  31           HA       PRO  31   5.770  -7.073   5.012
  235    HB2  PRO  31           2HB      PRO  31   8.178  -6.881   3.298
  236    HB3  PRO  31           3HB      PRO  31   7.189  -5.583   3.998
  237    HG2  PRO  31           2HG      PRO  31   9.730  -6.141   4.898
  238    HG3  PRO  31           3HG      PRO  31   8.432  -5.497   5.951
  239    HD2  PRO  31           2HD      PRO  31   9.351  -8.369   5.674
  240    HD3  PRO  31           3HD      PRO  31   8.969  -7.441   7.133
  241    H    ARG  32           H        ARG  32   4.696  -7.869   3.166
  242    HA   ARG  32           HA       ARG  32   3.885  -9.469   1.830
  243    HE   ARG  32           HE       ARG  32   3.682 -11.288  -2.760
  244    HB2  ARG  32           2HB      ARG  32   5.586  -8.489   0.422
  245    HB3  ARG  32           3HB      ARG  32   6.818  -9.579   1.029
  246    HG2  ARG  32           2HG      ARG  32   6.043 -10.053  -1.279
  247    HG3  ARG  32           3HG      ARG  32   5.955 -11.420  -0.189
  248    HD2  ARG  32           2HD      ARG  32   3.454 -10.905   0.097
  249    HD3  ARG  32           3HD      ARG  32   3.646  -9.668  -1.148
  250   HH11  ARG  32          1HH2      ARG  32   4.318 -12.907   0.375
  251   HH12  ARG  32          2HH2      ARG  32   4.076 -14.492  -0.258
  252   HH21  ARG  32          1HH1      ARG  32   3.414 -13.419  -3.584
  253   HH22  ARG  32          2HH1      ARG  32   3.582 -14.788  -2.555
  254    H    SER  33           H        SER  33   5.032 -10.418   4.594
  255    HA   SER  33           HA       SER  33   5.428 -12.259   5.746
  256    HG   SER  33           HG       SER  33   2.694 -11.786   4.646
  257    HB2  SER  33           2HB      SER  33   3.648 -13.668   3.727
  258    HB3  SER  33           3HB      SER  33   4.014 -14.199   5.376
  259    H    GLY  34           H        GLY  34   7.421 -11.589   3.693
  260    HA2  GLY  34           2HA      GLY  34   9.015 -13.946   3.831
  261    HA3  GLY  34           3HA      GLY  34   8.261 -13.865   2.240
  262    H    ALA  35           H        ALA  35   8.773 -10.623   3.113
  263    HA   ALA  35           HA       ALA  35  10.986 -10.313   1.325
  264    HB1  ALA  35           3HB      ALA  35   9.317  -8.527   1.795
  265    HB2  ALA  35           1HB      ALA  35   9.908  -8.447   3.475
  266    HB3  ALA  35           2HB      ALA  35  10.967  -7.972   2.142
  267    HA   PRO  36           HA       PRO  36  14.283 -11.130   4.219
  268    HB2  PRO  36           2HB      PRO  36  16.438  -9.963   3.039
  269    HB3  PRO  36           3HB      PRO  36  15.529 -11.284   2.257
  270    HG2  PRO  36           2HG      PRO  36  15.175  -8.299   1.805
  271    HG3  PRO  36           3HG      PRO  36  15.438  -9.577   0.573
  272    HD2  PRO  36           2HD      PRO  36  12.942  -8.693   1.234
  273    HD3  PRO  36           3HD      PRO  36  13.251 -10.406   0.824
  274    H    ALA  37           H        ALA  37  12.690  -9.471   5.537
  275    HA   ALA  37           HA       ALA  37  14.519  -7.620   6.913
  276    HB1  ALA  37           3HB      ALA  37  11.777  -6.797   5.853
  277    HB2  ALA  37           1HB      ALA  37  12.786  -5.840   6.960
  278    HB3  ALA  37           2HB      ALA  37  13.347  -6.157   5.304
  279    H    ALA  38           H        ALA  38  14.158  -7.659   9.078
  280    HA   ALA  38           HA       ALA  38  11.674  -8.686  10.243
  281    HB1  ALA  38           3HB      ALA  38  13.011 -10.740   9.790
  282    HB2  ALA  38           1HB      ALA  38  14.374 -10.049  10.706
  283    HB3  ALA  38           2HB      ALA  38  12.846 -10.439  11.527
  284    H    GLU  39           H        GLU  39  12.977  -6.109  10.142
  285    HA   GLU  39           HA       GLU  39  14.369  -5.545  12.645
  286    HB2  GLU  39           2HB      GLU  39  12.917  -3.735  10.654
  287    HB3  GLU  39           3HB      GLU  39  13.905  -3.174  11.999
  288    HG2  GLU  39           2HG      GLU  39  14.879  -4.764   9.585
  289    HG3  GLU  39           3HG      GLU  39  15.128  -3.052   9.879
  290    H    SER  40           H        SER  40  13.325  -4.151  14.357
  291    HA   SER  40           HA       SER  40  10.387  -4.383  14.547
  292    HG   SER  40           HG       SER  40  12.329  -6.767  15.074
  293    HB2  SER  40           2HB      SER  40  12.249  -5.232  16.796
  294    HB3  SER  40           3HB      SER  40  10.489  -5.372  16.749
  295    H    LYS  41           H        LYS  41   9.541  -2.990  16.318
  296    HA   LYS  41           HA       LYS  41  11.360  -1.166  17.645
  297    HB2  LYS  41           2HB      LYS  41  10.503   0.911  16.859
  298    HB3  LYS  41           3HB      LYS  41  11.018   0.002  15.445
  299    HG2  LYS  41           2HG      LYS  41   8.625  -0.580  14.972
  300    HG3  LYS  41           3HG      LYS  41   8.135   0.356  16.398
  301    HD2  LYS  41           2HD      LYS  41   9.243   2.381  15.376
  302    HD3  LYS  41           3HD      LYS  41   9.516   1.426  13.906
  303    HE2  LYS  41           2HE      LYS  41   7.014   1.045  13.776
  304    HE3  LYS  41           3HE      LYS  41   6.827   2.101  15.190
  305    HZ1  LYS  41           3HZ      LYS  41   6.452   3.386  13.225
  306    HZ2  LYS  41           1HZ      LYS  41   7.918   3.866  13.800
  307    HZ3  LYS  41           2HZ      LYS  41   7.765   2.857  12.501
  308    H    GLU  42           H        GLU  42  10.015   0.307  19.177
  309    HA   GLU  42           HA       GLU  42   7.627  -1.177  20.159
  310    HB2  GLU  42           2HB      GLU  42   9.418   0.917  21.472
  311    HB3  GLU  42           3HB      GLU  42   7.917   0.307  22.141
  312    HG2  GLU  42           2HG      GLU  42   9.543  -0.934  23.244
  313    HG3  GLU  42           3HG      GLU  42   8.861  -2.030  22.051
  314    H    ILE  43           H        ILE  43   5.673  -0.061  20.458
  315    HA   ILE  43           HA       ILE  43   5.401   2.697  19.423
  316    HB   ILE  43           HB       ILE  43   3.311   1.936  18.247
  317   HG12  ILE  43          2HG1      ILE  43   4.469  -0.878  18.390
  318   HG13  ILE  43          3HG1      ILE  43   3.120  -0.315  19.377
  319   HG21  ILE  43          1HG2      ILE  43   5.854   0.740  17.092
  320   HG22  ILE  43          2HG2      ILE  43   4.443   1.359  16.200
  321   HG23  ILE  43          3HG2      ILE  43   5.471   2.474  17.111
  322   HD11  ILE  43          3HD1      ILE  43   1.783   0.104  17.337
  323   HD12  ILE  43          1HD1      ILE  43   3.118  -0.516  16.335
  324   HD13  ILE  43          2HD1      ILE  43   2.297  -1.584  17.483
  325    H    VAL  44           H        VAL  44   3.529   3.779  20.188
  326    HA   VAL  44           HA       VAL  44   2.346   2.625  22.691
  327    HB   VAL  44           HB       VAL  44   2.481   5.529  21.782
  328   HG11  VAL  44          1HG1      VAL  44   0.710   4.992  23.486
  329   HG12  VAL  44          2HG1      VAL  44   1.989   4.378  24.555
  330   HG13  VAL  44          3HG1      VAL  44   1.955   6.084  24.091
  331   HG21  VAL  44          3HG2      VAL  44   4.268   5.847  23.485
  332   HG22  VAL  44          1HG2      VAL  44   4.348   4.080  23.706
  333   HG23  VAL  44          2HG2      VAL  44   4.787   4.822  22.149
  334    H    ARG  45           H        ARG  45   0.151   2.174  22.630
  335    HA   ARG  45           HA       ARG  45  -1.548   3.333  20.461
  336    HE   ARG  45           HE       ARG  45  -0.230   3.313  18.800
  337    HB2  ARG  45           2HB      ARG  45  -1.414   0.427  21.394
  338    HB3  ARG  45           3HB      ARG  45  -2.581   1.066  20.253
  339    HG2  ARG  45           2HG      ARG  45   0.431   0.922  19.727
  340    HG3  ARG  45           3HG      ARG  45  -0.716  -0.310  19.294
  341    HD2  ARG  45           2HD      ARG  45  -0.636   0.766  17.303
  342    HD3  ARG  45           3HD      ARG  45  -1.984   1.651  18.022
  343   HH11  ARG  45          1HH2      ARG  45   0.177   1.686  15.633
  344   HH12  ARG  45          2HH2      ARG  45   1.651   2.566  15.301
  345   HH21  ARG  45          1HH1      ARG  45   1.690   4.284  18.342
  346   HH22  ARG  45          2HH1      ARG  45   2.467   4.099  16.777
  347    H    GLY  46           H        GLY  46  -3.620   3.953  21.338
  348    HA2  GLY  46           2HA      GLY  46  -4.670   2.662  23.679
  349    HA3  GLY  46           3HA      GLY  46  -3.915   4.200  24.112
  350    H    TYR  47           H        TYR  47  -6.833   2.886  23.474
  351    HA   TYR  47           HA       TYR  47  -7.891   5.411  22.309
  352    HD1  TYR  47           HD2      TYR  47  -7.490   5.471  19.197
  353    HD2  TYR  47           HD1      TYR  47  -6.603   1.602  20.867
  354    HE1  TYR  47           HE2      TYR  47  -5.639   5.219  17.586
  355    HE2  TYR  47           HE1      TYR  47  -4.750   1.328  19.225
  356    HH   TYR  47           HH       TYR  47  -3.992   3.822  16.758
  357    HB2  TYR  47           2HB      TYR  47  -8.707   2.676  21.328
  358    HB3  TYR  47           3HB      TYR  47  -9.134   4.245  20.656
  359    H    LYS  48           H        LYS  48  -9.709   6.033  23.320
  360    HA   LYS  48           HA       LYS  48 -10.561   4.784  25.657
  361    HB2  LYS  48           2HB      LYS  48 -12.390   6.374  25.722
  362    HB3  LYS  48           3HB      LYS  48 -10.889   7.151  25.228
  363    HG2  LYS  48           2HG      LYS  48 -11.610   7.194  22.892
  364    HG3  LYS  48           3HG      LYS  48 -13.092   6.299  23.291
  365    HD2  LYS  48           2HD      LYS  48 -13.830   8.121  24.765
  366    HD3  LYS  48           3HD      LYS  48 -12.356   9.030  24.430
  367    HE2  LYS  48           2HE      LYS  48 -14.372   8.216  22.287
  368    HE3  LYS  48           3HE      LYS  48 -14.448   9.746  23.175
  369    HZ1  LYS  48           3HZ      LYS  48 -13.311  10.065  21.097
  370    HZ2  LYS  48           1HZ      LYS  48 -12.227  10.282  22.304
  371    HZ3  LYS  48           2HZ      LYS  48 -12.202   8.906  21.409
  372    H    TRP  49           H        TRP  49 -11.648   3.827  22.451
  373    HA   TRP  49           HA       TRP  49 -14.162   2.753  23.336
  374    HD1  TRP  49           HD1      TRP  49 -12.397   4.090  19.452
  375    HE1  TRP  49           HE1      TRP  49 -10.267   3.378  18.252
  376    HE3  TRP  49           HE3      TRP  49 -11.685  -0.518  21.640
  377    HZ2  TRP  49           HZ2      TRP  49  -8.360   1.241  18.387
  378    HZ3  TRP  49           HZ3      TRP  49  -9.600  -1.767  21.208
  379    HH2  TRP  49           HH2      TRP  49  -7.920  -0.897  19.591
  380    HB2  TRP  49           2HB      TRP  49 -14.008   1.365  21.234
  381    HB3  TRP  49           3HB      TRP  49 -14.032   3.102  21.060
  382    H    ALA  50           H        ALA  50 -10.850   1.540  23.701
  383    HA   ALA  50           HA       ALA  50 -11.604  -1.214  23.992
  384    HB1  ALA  50           3HB      ALA  50  -9.346  -1.477  24.874
  385    HB2  ALA  50           1HB      ALA  50  -9.331  -0.488  23.409
  386    HB3  ALA  50           2HB      ALA  50  -9.147   0.284  25.004
  387    H    GLU  51           H        GLU  51 -12.924  -1.934  25.583
  388    HA   GLU  51           HA       GLU  51 -13.194  -0.674  28.156
  389    HB2  GLU  51           2HB      GLU  51 -14.946  -2.007  27.002
  390    HB3  GLU  51           3HB      GLU  51 -13.986  -3.476  27.241
  391    HG2  GLU  51           2HG      GLU  51 -14.228  -3.297  29.662
  392    HG3  GLU  51           3HG      GLU  51 -14.932  -1.690  29.522
  393    H    TYR  52           H        TYR  52 -11.065  -3.144  26.837
  394    HA   TYR  52           HA       TYR  52  -9.560  -3.305  29.381
  395    HD1  TYR  52           HD1      TYR  52  -9.948  -5.313  31.321
  396    HD2  TYR  52           HD2      TYR  52 -12.706  -5.866  28.043
  397    HE1  TYR  52           HE1      TYR  52 -11.757  -5.809  32.927
  398    HE2  TYR  52           HE2      TYR  52 -14.516  -6.374  29.648
  399    HH   TYR  52           HH       TYR  52 -14.005  -6.368  33.195
  400    HB2  TYR  52           2HB      TYR  52 -10.328  -5.669  27.616
  401    HB3  TYR  52           3HB      TYR  52  -9.173  -5.724  28.938
  402    H    HIS  53           H        HIS  53  -7.277  -3.597  28.974
  403    HA   HIS  53           HA       HIS  53  -6.356  -2.168  26.700
  404    HD2  HIS  53           HD2      HIS  53  -3.081  -5.015  27.545
  405    HE1  HIS  53           HE1      HIS  53  -5.373  -6.962  30.555
  406    HE2  HIS  53           HE2      HIS  53  -3.442  -7.233  28.881
  407    HB2  HIS  53           2HB      HIS  53  -4.136  -2.667  27.598
  408    HB3  HIS  53           3HB      HIS  53  -5.216  -2.249  28.928
  409    H    ALA  54           H        ALA  54  -6.687  -5.648  27.316
  410    HA   ALA  54           HA       ALA  54  -5.093  -6.609  25.201
  411    HB1  ALA  54           3HB      ALA  54  -7.622  -7.815  26.413
  412    HB2  ALA  54           1HB      ALA  54  -6.413  -8.679  25.443
  413    HB3  ALA  54           2HB      ALA  54  -5.960  -8.027  27.030
  414    H    ASP  55           H        ASP  55  -8.306  -5.099  25.104
  415    HA   ASP  55           HA       ASP  55  -9.094  -6.145  22.533
  416    HB2  ASP  55           2HB      ASP  55 -10.567  -4.943  24.300
  417    HB3  ASP  55           3HB      ASP  55  -9.873  -3.443  23.687
  418    H    ILE  56           H        ILE  56  -7.030  -3.473  23.635
  419    HA   ILE  56           HA       ILE  56  -6.800  -2.180  21.061
  420    HB   ILE  56           HB       ILE  56  -4.758  -2.115  23.317
  421   HG12  ILE  56          2HG1      ILE  56  -6.993  -0.086  23.037
  422   HG13  ILE  56          3HG1      ILE  56  -7.089  -1.473  24.134
  423   HG21  ILE  56          1HG2      ILE  56  -3.912  -1.208  21.247
  424   HG22  ILE  56          2HG2      ILE  56  -5.403  -0.301  20.960
  425   HG23  ILE  56          3HG2      ILE  56  -4.302   0.183  22.258
  426   HD11  ILE  56          3HD1      ILE  56  -4.948   0.660  24.299
  427   HD12  ILE  56          1HD1      ILE  56  -6.355   0.481  25.360
  428   HD13  ILE  56          2HD1      ILE  56  -5.086  -0.762  25.336
  429    H    TYR  57           H        TYR  57  -4.796  -4.544  22.932
  430    HA   TYR  57           HA       TYR  57  -2.763  -4.834  20.985
  431    HD1  TYR  57           HD2      TYR  57  -0.386  -6.053  21.662
  432    HD2  TYR  57           HD1      TYR  57  -3.505  -8.971  22.271
  433    HE1  TYR  57           HE2      TYR  57   1.078  -7.808  20.702
  434    HE2  TYR  57           HE1      TYR  57  -2.027 -10.734  21.347
  435    HH   TYR  57           HH       TYR  57   1.234 -10.096  20.012
  436    HB2  TYR  57           2HB      TYR  57  -2.439  -5.658  23.229
  437    HB3  TYR  57           3HB      TYR  57  -3.803  -6.763  23.080
  438    H    ASP  58           H        ASP  58  -5.881  -6.626  21.312
  439    HA   ASP  58           HA       ASP  58  -5.465  -8.394  19.142
  440    HB2  ASP  58           2HB      ASP  58  -7.264  -8.703  20.748
  441    HB3  ASP  58           3HB      ASP  58  -8.031  -7.195  20.243
  442    H    LYS  59           H        LYS  59  -7.048  -5.142  19.175
  443    HA   LYS  59           HA       LYS  59  -7.637  -5.155  16.379
  444    HB2  LYS  59           2HB      LYS  59  -7.898  -3.273  18.585
  445    HB3  LYS  59           3HB      LYS  59  -7.119  -2.441  17.262
  446    HG2  LYS  59           2HG      LYS  59  -9.487  -2.111  17.069
  447    HG3  LYS  59           3HG      LYS  59  -8.928  -3.092  15.721
  448    HD2  LYS  59           2HD      LYS  59 -11.061  -3.950  16.517
  449    HD3  LYS  59           3HD      LYS  59  -9.806  -5.138  16.826
  450    HE2  LYS  59           2HE      LYS  59 -11.169  -5.108  18.770
  451    HE3  LYS  59           3HE      LYS  59  -9.665  -4.321  19.205
  452    HZ1  LYS  59           3HZ      LYS  59 -12.219  -2.964  18.588
  453    HZ2  LYS  59           1HZ      LYS  59 -11.503  -3.130  20.066
  454    HZ3  LYS  59           2HZ      LYS  59 -10.798  -2.178  18.939
  455    H    VAL  60           H        VAL  60  -4.809  -3.881  18.154
  456    HA   VAL  60           HA       VAL  60  -3.531  -2.791  15.832
  457    HB   VAL  60           HB       VAL  60  -2.478  -3.658  18.559
  458   HG11  VAL  60          1HG1      VAL  60  -1.056  -2.011  16.411
  459   HG12  VAL  60          2HG1      VAL  60  -0.488  -2.238  18.082
  460   HG13  VAL  60          3HG1      VAL  60  -0.573  -3.612  16.990
  461   HG21  VAL  60          3HG2      VAL  60  -2.972  -0.844  17.473
  462   HG22  VAL  60          1HG2      VAL  60  -4.183  -1.721  18.406
  463   HG23  VAL  60          2HG2      VAL  60  -2.648  -1.346  19.156
  464    H    SER  61           H        SER  61  -3.251  -6.056  17.428
  465    HA   SER  61           HA       SER  61  -1.179  -6.962  15.691
  466    HG   SER  61           HG       SER  61  -2.247  -7.429  18.625
  467    HB2  SER  61           2HB      SER  61  -3.330  -8.579  17.122
  468    HB3  SER  61           3HB      SER  61  -1.799  -9.198  16.461
  469    H    GLY  62           H        GLY  62  -4.771  -6.968  15.323
  470    HA2  GLY  62           2HA      GLY  62  -4.831  -8.472  12.884
  471    HA3  GLY  62           3HA      GLY  62  -6.043  -7.304  13.456
  472    H    ASP  63           H        ASP  63  -4.752  -4.904  13.534
  473    HA   ASP  63           HA       ASP  63  -4.755  -4.100  10.821
  474    HB2  ASP  63           2HB      ASP  63  -5.258  -2.608  12.726
  475    HB3  ASP  63           3HB      ASP  63  -3.564  -2.669  13.222
  476    H    MET  64           H        MET  64  -2.005  -4.799  13.020
  477    HA   MET  64           HA       MET  64   0.011  -3.997  11.192
  478    HB2  MET  64           2HB      MET  64   0.022  -5.892  13.577
  479    HB3  MET  64           3HB      MET  64   1.462  -5.598  12.608
  480    HG2  MET  64           2HG      MET  64  -0.127  -3.512  14.128
  481    HG3  MET  64           3HG      MET  64   1.480  -4.107  14.516
  482    HE1  MET  64           3HE      MET  64   0.638  -0.344  12.538
  483    HE2  MET  64           1HE      MET  64  -0.604  -1.553  12.904
  484    HE3  MET  64           2HE      MET  64   0.486  -0.983  14.195
  485    H    GLN  65           H        GLN  65  -1.635  -7.177  11.621
  486    HA   GLN  65           HA       GLN  65   0.048  -8.533   9.727
  487    HB2  GLN  65           2HB      GLN  65  -2.743  -9.034  10.811
  488    HB3  GLN  65           3HB      GLN  65  -2.013 -10.082   9.587
  489    HG2  GLN  65           2HG      GLN  65  -0.152 -10.644  11.023
  490    HG3  GLN  65           3HG      GLN  65  -0.620  -9.444  12.223
  491   HE21  GLN  65          2HE2      GLN  65  -2.581  -9.766  13.427
  492   HE22  GLN  65          1HE2      GLN  65  -3.220 -11.401  13.675
  493    H    LYS  66           H        LYS  66  -2.891  -6.492   9.344
  494    HA   LYS  66           HA       LYS  66  -3.137  -6.979   6.523
  495    HB2  LYS  66           2HB      LYS  66  -3.937  -4.493   8.102
  496    HB3  LYS  66           3HB      LYS  66  -4.368  -4.830   6.429
  497    HG2  LYS  66           2HG      LYS  66  -5.577  -6.871   7.122
  498    HG3  LYS  66           3HG      LYS  66  -5.162  -6.550   8.814
  499    HD2  LYS  66           2HD      LYS  66  -6.371  -4.383   8.709
  500    HD3  LYS  66           3HD      LYS  66  -6.811  -4.723   7.017
  501    HE2  LYS  66           2HE      LYS  66  -7.961  -6.806   7.750
  502    HE3  LYS  66           3HE      LYS  66  -7.537  -6.446   9.429
  503    HZ1  LYS  66           3HZ      LYS  66  -9.789  -5.759   8.918
  504    HZ2  LYS  66           1HZ      LYS  66  -8.881  -4.435   9.271
  505    HZ3  LYS  66           2HZ      LYS  66  -9.278  -4.772   7.709
  506    H    GLN  67           H        GLN  67  -0.948  -4.834   8.362
  507    HA   GLN  67           HA       GLN  67  -0.041  -3.472   5.963
  508    HB2  GLN  67           2HB      GLN  67   1.559  -3.722   8.545
  509    HB3  GLN  67           3HB      GLN  67   1.700  -2.523   7.271
  510    HG2  GLN  67           2HG      GLN  67  -0.390  -2.768   9.421
  511    HG3  GLN  67           3HG      GLN  67   0.658  -1.417   9.077
  512   HE21  GLN  67          2HE2      GLN  67  -2.477  -2.561   8.795
  513   HE22  GLN  67          1HE2      GLN  67  -3.044  -1.483   7.532
  514    H    GLY  68           H        GLY  68   1.316  -6.003   8.070
  515    HA2  GLY  68           2HA      GLY  68   2.394  -7.970   6.760
  516    HA3  GLY  68           3HA      GLY  68   3.383  -6.685   6.034
  517    H    CYS  69           H        CYS  69   2.171  -7.104   9.442
  518    HA   CYS  69           HA       CYS  69   4.918  -7.380  10.473
  519    HG   CYS  69           HG       CYS  69   4.736  -5.091   8.910
  520    HB2  CYS  69           2HB      CYS  69   2.948  -5.116  11.065
  521    HB3  CYS  69           3HB      CYS  69   4.296  -5.532  12.137
  522    H    ASP  70           H        ASP  70   4.744  -7.749  12.914
  523    HA   ASP  70           HA       ASP  70   2.236  -9.038  13.839
  524    HB2  ASP  70           2HB      ASP  70   3.613 -10.838  12.865
  525    HB3  ASP  70           3HB      ASP  70   5.003 -10.310  13.818
  526    H    CYS  71           H        CYS  71   2.487  -9.437  16.335
  527    HA   CYS  71           HA       CYS  71   4.099  -7.222  17.523
  528    HG   CYS  71           HG       CYS  71   0.679  -5.231  16.938
  529    HB2  CYS  71           2HB      CYS  71   1.088  -7.676  17.679
  530    HB3  CYS  71           3HB      CYS  71   1.970  -6.603  18.765
  531    H    GLU  72           H        GLU  72   4.389  -7.266  19.749
  532    HA   GLU  72           HA       GLU  72   3.170  -9.406  21.360
  533    HB2  GLU  72           2HB      GLU  72   5.213  -9.970  22.481
  534    HB3  GLU  72           3HB      GLU  72   5.382 -10.283  20.753
  535    HG2  GLU  72           2HG      GLU  72   6.685  -8.153  20.534
  536    HG3  GLU  72           3HG      GLU  72   6.542  -7.911  22.273
  537    H    CYS  73           H        CYS  73   2.414  -8.522  23.294
  538    HA   CYS  73           HA       CYS  73   2.670  -5.641  23.711
  539    HG   CYS  73           HG       CYS  73   0.103  -8.400  26.181
  540    HB2  CYS  73           2HB      CYS  73   1.400  -6.229  25.829
  541    HB3  CYS  73           3HB      CYS  73   0.570  -6.572  24.301
  542    H    LEU  74           H        LEU  74   3.934  -4.618  25.229
  543    HA   LEU  74           HA       LEU  74   5.888  -6.291  26.754
  544    HG   LEU  74           HG       LEU  74   6.459  -4.382  24.033
  545    HB2  LEU  74           2HB      LEU  74   6.000  -3.313  26.148
  546    HB3  LEU  74           3HB      LEU  74   7.217  -4.278  26.977
  547   HD11  LEU  74          1HD1      LEU  74   8.006  -2.573  24.735
  548   HD12  LEU  74          2HD1      LEU  74   9.085  -3.770  25.470
  549   HD13  LEU  74          3HD1      LEU  74   8.825  -3.757  23.713
  550   HD21  LEU  74          3HD2      LEU  74   6.875  -6.715  24.705
  551   HD22  LEU  74          1HD2      LEU  74   8.205  -6.110  23.740
  552   HD23  LEU  74          2HD2      LEU  74   8.386  -6.236  25.507
  553    H    GLY  75           H        GLY  75   3.087  -4.235  27.035
  554    HA2  GLY  75           2HA      GLY  75   2.314  -4.898  29.558
  555    HA3  GLY  75           3HA      GLY  75   3.449  -3.571  29.842
  556    H    GLY  76           H        GLY  76   1.185  -2.679  30.663
  557    HA2  GLY  76           2HA      GLY  76   0.467  -0.678  28.695
  558    HA3  GLY  76           3HA      GLY  76  -0.873  -1.763  29.033
  559    H    GLY  77           H        GLY  77  -1.647   0.518  29.697
  560    HA2  GLY  77           2HA      GLY  77  -1.784   0.840  32.534
  561    HA3  GLY  77           3HA      GLY  77  -0.625   1.982  31.828
  562    H    ARG  78           H        ARG  78  -1.965   3.815  32.203
  563    HA   ARG  78           HA       ARG  78  -4.250   4.104  30.324
  564    HE   ARG  78           HE       ARG  78  -5.168   4.895  34.984
  565    HB2  ARG  78           2HB      ARG  78  -4.147   5.027  33.226
  566    HB3  ARG  78           3HB      ARG  78  -5.397   5.479  32.061
  567    HG2  ARG  78           2HG      ARG  78  -6.070   3.096  31.849
  568    HG3  ARG  78           3HG      ARG  78  -4.866   2.647  33.071
  569    HD2  ARG  78           2HD      ARG  78  -7.217   4.540  33.503
  570    HD3  ARG  78           3HD      ARG  78  -7.136   2.852  34.008
  571   HH11  ARG  78          1HH2      ARG  78  -7.690   2.460  35.834
  572   HH12  ARG  78          2HH2      ARG  78  -7.200   2.475  37.515
  573   HH21  ARG  78          1HH1      ARG  78  -4.654   4.797  37.290
  574   HH22  ARG  78          2HH1      ARG  78  -5.540   3.672  38.274
  575    H    ILE  79           H        ILE  79  -4.594   6.292  29.690
  576    HA   ILE  79           HA       ILE  79  -2.437   8.212  30.318
  577    HB   ILE  79           HB       ILE  79  -3.652   7.659  27.591
  578   HG12  ILE  79          2HG1      ILE  79  -0.770   7.312  28.501
  579   HG13  ILE  79          3HG1      ILE  79  -1.919   6.020  28.228
  580   HG21  ILE  79          1HG2      ILE  79  -1.564   9.757  28.364
  581   HG22  ILE  79          2HG2      ILE  79  -2.157   9.450  26.719
  582   HG23  ILE  79          3HG2      ILE  79  -3.249  10.099  27.912
  583   HD11  ILE  79          3HD1      ILE  79  -0.782   7.854  26.093
  584   HD12  ILE  79          1HD1      ILE  79  -0.460   6.139  26.333
  585   HD13  ILE  79          2HD1      ILE  79  -2.078   6.662  25.824
  586    H    SER  80           H        SER  80  -3.283  10.373  30.383
  587    HA   SER  80           HA       SER  80  -6.236  10.713  30.313
  588    HG   SER  80           HG       SER  80  -5.358   9.896  33.797
  589    HB2  SER  80           2HB      SER  80  -4.442  11.589  32.619
  590    HB3  SER  80           3HB      SER  80  -6.211  11.669  32.534
  591    H    HIS  81           H        HIS  81  -6.854  12.933  30.085
  592    HA   HIS  81           HA       HIS  81  -4.904  15.080  30.118
  593    HD1  HIS  81           HD1      HIS  81  -4.443  17.301  29.037
  594    HD2  HIS  81           HD2      HIS  81  -6.413  15.942  25.565
  595    HE1  HIS  81           HE1      HIS  81  -4.570  19.283  27.439
  596    HB2  HIS  81           2HB      HIS  81  -4.629  14.223  27.806
  597    HB3  HIS  81           3HB      HIS  81  -6.371  14.247  27.567
  598    H    GLN  82           H        GLN  82  -6.050  17.033  30.510
  599    HA   GLN  82           HA       GLN  82  -8.965  17.123  30.099
  600    HB2  GLN  82           2HB      GLN  82  -7.579  17.746  32.759
  601    HB3  GLN  82           3HB      GLN  82  -9.113  18.452  32.269
  602    HG2  GLN  82           2HG      GLN  82  -9.913  16.739  33.506
  603    HG3  GLN  82           3HG      GLN  82  -9.900  15.964  31.932
  604   HE21  GLN  82          2HE2      GLN  82  -8.682  14.064  31.729
  605   HE22  GLN  82          1HE2      GLN  82  -7.788  13.366  33.088
  606    H    SER  83           H        SER  83  -9.053  18.718  28.643
  607    HA   SER  83           HA       SER  83  -7.002  20.176  27.718
  608    HG   SER  83           HG       SER  83 -10.050  19.473  25.901
  609    HB2  SER  83           2HB      SER  83  -9.890  21.076  27.561
  610    HB3  SER  83           3HB      SER  83  -8.626  21.227  26.326
  611    H    GLN  84           H        GLN  84  -8.591  21.095  30.641
  612    HA   GLN  84           HA       GLN  84  -7.382  23.801  30.499
  613    HB2  GLN  84           2HB      GLN  84  -9.803  23.846  29.975
  614    HB3  GLN  84           3HB      GLN  84 -10.163  23.052  31.503
  615    HG2  GLN  84           2HG      GLN  84 -10.648  25.490  31.450
  616    HG3  GLN  84           3HG      GLN  84  -9.577  25.026  32.753
  617   HE21  GLN  84          2HE2      GLN  84  -7.306  25.587  32.607
  618   HE22  GLN  84          1HE2      GLN  84  -6.792  26.914  31.553
  619    H    ASP  85           H        ASP  85  -6.862  20.953  31.899
  620    HA   ASP  85           HA       ASP  85  -6.235  22.112  34.575
  621    HB2  ASP  85           2HB      ASP  85  -8.465  21.200  34.859
  622    HB3  ASP  85           3HB      ASP  85  -7.986  19.678  34.119
  623    H    LYS  86           H        LYS  86  -5.692  19.427  32.206
  624    HA   LYS  86           HA       LYS  86  -3.253  18.740  33.740
  625    HB2  LYS  86           2HB      LYS  86  -5.356  17.482  34.511
  626    HB3  LYS  86           3HB      LYS  86  -5.297  16.618  32.977
  627    HG2  LYS  86           2HG      LYS  86  -3.072  15.757  33.516
  628    HG3  LYS  86           3HG      LYS  86  -2.993  16.735  34.986
  629    HD2  LYS  86           2HD      LYS  86  -5.100  14.571  34.525
  630    HD3  LYS  86           3HD      LYS  86  -3.534  14.281  35.264
  631    HE2  LYS  86           2HE      LYS  86  -4.936  14.484  37.084
  632    HE3  LYS  86           3HE      LYS  86  -4.098  16.034  37.029
  633    HZ1  LYS  86           3HZ      LYS  86  -6.115  17.098  36.290
  634    HZ2  LYS  86           1HZ      LYS  86  -6.802  15.674  35.866
  635    HZ3  LYS  86           2HZ      LYS  86  -6.573  16.072  37.443
  636    H    LYS  87           H        LYS  87  -1.621  18.467  32.405
  637    HA   LYS  87           HA       LYS  87  -1.823  18.342  29.551
  638    HB2  LYS  87           2HB      LYS  87   0.315  18.397  31.628
  639    HB3  LYS  87           3HB      LYS  87   0.763  17.407  30.254
  640    HG2  LYS  87           2HG      LYS  87  -0.404  20.184  29.837
  641    HG3  LYS  87           3HG      LYS  87   1.322  19.914  30.158
  642    HD2  LYS  87           2HD      LYS  87   1.506  18.385  28.270
  643    HD3  LYS  87           3HD      LYS  87  -0.208  18.465  27.946
  644    HE2  LYS  87           2HE      LYS  87   1.344  19.817  26.424
  645    HE3  LYS  87           3HE      LYS  87  -0.123  20.597  27.014
  646    HZ1  LYS  87           3HZ      LYS  87   2.031  21.892  27.066
  647    HZ2  LYS  87           1HZ      LYS  87   1.138  21.934  28.447
  648    HZ3  LYS  87           2HZ      LYS  87   2.492  21.028  28.373
  649    H    ILE  88           H        ILE  88  -0.565  16.495  28.345
  650    HA   ILE  88           HA       ILE  88  -2.023  14.071  28.633
  651    HB   ILE  88           HB       ILE  88   0.714  14.326  27.321
  652   HG12  ILE  88          2HG1      ILE  88  -0.539  16.134  26.324
  653   HG13  ILE  88          3HG1      ILE  88  -0.390  14.817  25.180
  654   HG21  ILE  88          1HG2      ILE  88  -0.062  12.049  27.518
  655   HG22  ILE  88          2HG2      ILE  88  -1.683  12.471  26.938
  656   HG23  ILE  88          3HG2      ILE  88  -0.300  12.538  25.834
  657   HD11  ILE  88          3HD1      ILE  88  -2.876  15.467  26.813
  658   HD12  ILE  88          1HD1      ILE  88  -2.637  15.803  25.097
  659   HD13  ILE  88          2HD1      ILE  88  -2.742  14.125  25.649
  660    H    HIS  89           H        HIS  89  -1.753  12.529  30.146
  661    HA   HIS  89           HA       HIS  89   0.733  12.433  31.765
  662    HD1  HIS  89           HD1      HIS  89   1.043  13.723  34.519
  663    HD2  HIS  89           HD2      HIS  89  -1.975  10.803  34.684
  664    HE1  HIS  89           HE1      HIS  89   1.351  12.470  36.754
  665    HB2  HIS  89           2HB      HIS  89  -0.929  13.967  32.746
  666    HB3  HIS  89           3HB      HIS  89  -2.149  12.694  32.717
  667    H    VAL  90           H        VAL  90   1.077  10.318  32.752
  668    HA   VAL  90           HA       VAL  90  -0.666   8.142  31.703
  669    HB   VAL  90           HB       VAL  90   2.375   8.148  31.702
  670   HG11  VAL  90          1HG1      VAL  90   0.406   6.334  30.269
  671   HG12  VAL  90          2HG1      VAL  90   2.178   6.218  30.222
  672   HG13  VAL  90          3HG1      VAL  90   1.308   5.917  31.737
  673   HG21  VAL  90          3HG2      VAL  90   0.496   8.865  29.420
  674   HG22  VAL  90          1HG2      VAL  90   1.824   9.828  30.085
  675   HG23  VAL  90          2HG2      VAL  90   2.184   8.357  29.182
  676    H    TYR  91           H        TYR  91  -0.913   6.356  33.103
  677    HA   TYR  91           HA       TYR  91   0.661   5.969  35.463
  678    HD1  TYR  91           HD2      TYR  91  -2.826   7.292  34.022
  679    HD2  TYR  91           HD1      TYR  91  -2.784   6.897  38.332
  680    HE1  TYR  91           HE2      TYR  91  -5.281   7.470  34.073
  681    HE2  TYR  91           HE1      TYR  91  -5.221   7.131  38.388
  682    HH   TYR  91           HH       TYR  91  -7.156   7.390  37.125
  683    HB2  TYR  91           2HB      TYR  91  -0.785   6.608  37.171
  684    HB3  TYR  91           3HB      TYR  91  -0.706   8.010  36.146
  685    H    GLY  92           H        GLY  92  -0.816   4.323  37.002
  686    HA2  GLY  92           2HA      GLY  92  -2.295   2.569  37.131
  687    HA3  GLY  92           3HA      GLY  92  -2.770   2.797  35.446
  688    H    TYR  93           H        TYR  93  -2.632   0.374  35.563
  689    HA   TYR  93           HA       TYR  93  -0.251  -0.404  34.142
  690    HD1  TYR  93           HD1      TYR  93  -2.514  -3.211  36.277
  691    HD2  TYR  93           HD2      TYR  93   0.192  -0.647  38.452
  692    HE1  TYR  93           HE1      TYR  93  -3.724  -3.722  38.360
  693    HE2  TYR  93           HE2      TYR  93  -0.996  -1.184  40.552
  694    HH   TYR  93           HH       TYR  93  -2.769  -2.355  41.535
  695    HB2  TYR  93           2HB      TYR  93  -0.027  -2.550  35.476
  696    HB3  TYR  93           3HB      TYR  93   0.620  -1.092  36.196
  697    H    SER  94           H        SER  94  -0.758  -2.426  32.900
  698    HA   SER  94           HA       SER  94  -3.532  -2.456  32.102
  699    HG   SER  94           HG       SER  94  -0.229  -3.978  31.632
  700    HB2  SER  94           2HB      SER  94  -2.887  -4.373  30.694
  701    HB3  SER  94           3HB      SER  94  -1.880  -2.957  30.436
  702    H    MET  95           H        MET  95  -4.946  -4.385  32.097
  703    HA   MET  95           HA       MET  95  -5.077  -5.378  34.833
  704    HB2  MET  95           2HB      MET  95  -6.974  -5.653  32.464
  705    HB3  MET  95           3HB      MET  95  -7.317  -6.179  34.119
  706    HG2  MET  95           2HG      MET  95  -6.987  -3.843  34.927
  707    HG3  MET  95           3HG      MET  95  -6.697  -3.322  33.272
  708    HE1  MET  95           3HE      MET  95  -9.268  -4.263  35.981
  709    HE2  MET  95           1HE      MET  95 -10.779  -4.515  35.079
  710    HE3  MET  95           2HE      MET  95  -9.468  -5.706  34.959
  711    H    ALA  96           H        ALA  96  -3.173  -6.555  32.484
  712    HA   ALA  96           HA       ALA  96  -3.305  -9.241  33.579
  713    HB1  ALA  96           3HB      ALA  96  -4.981  -9.444  31.754
  714    HB2  ALA  96           1HB      ALA  96  -3.756  -8.909  30.574
  715    HB3  ALA  96           2HB      ALA  96  -3.542 -10.433  31.451
  716    H    TYR  97           H        TYR  97  -1.771  -7.144  31.001
  717    HA   TYR  97           HA       TYR  97   0.406  -9.015  30.727
  718    HD1  TYR  97           HD1      TYR  97  -0.996  -9.570  29.086
  719    HD2  TYR  97           HD2      TYR  97  -0.387  -5.583  27.539
  720    HE1  TYR  97           HE1      TYR  97  -2.521 -10.068  27.223
  721    HE2  TYR  97           HE2      TYR  97  -1.880  -6.110  25.623
  722    HH   TYR  97           HH       TYR  97  -3.511  -9.282  25.265
  723    HB2  TYR  97           2HB      TYR  97   0.278  -6.124  29.807
  724    HB3  TYR  97           3HB      TYR  97   1.381  -7.359  29.237
  725    H    GLY  98           H        GLY  98   0.165  -5.792  32.247
  726    HA2  GLY  98           2HA      GLY  98   1.300  -5.895  34.579
  727    HA3  GLY  98           3HA      GLY  98   2.771  -6.144  33.619
  728    HA   PRO  99           HA       PRO  99   1.953  -1.469  33.981
  729    HB2  PRO  99           2HB      PRO  99   4.769  -1.667  35.005
  730    HB3  PRO  99           3HB      PRO  99   3.445  -0.600  35.555
  731    HG2  PRO  99           2HG      PRO  99   4.234  -2.784  37.005
  732    HG3  PRO  99           3HG      PRO  99   2.510  -2.317  36.895
  733    HD2  PRO  99           2HD      PRO  99   3.972  -4.479  35.376
  734    HD3  PRO  99           3HD      PRO  99   2.337  -4.509  36.105
  735    H    ALA 100           H        ALA 100   2.441  -0.467  32.050
  736    HA   ALA 100           HA       ALA 100   4.384  -1.532  30.176
  737    HB1  ALA 100           3HB      ALA 100   2.911   1.125  30.399
  738    HB2  ALA 100           1HB      ALA 100   4.021   0.734  29.073
  739    HB3  ALA 100           2HB      ALA 100   2.554  -0.213  29.292
  740    H    GLN 101           H        GLN 101   6.303  -0.319  29.492
  741    HA   GLN 101           HA       GLN 101   7.854   0.810  31.711
  742    HB2  GLN 101           2HB      GLN 101   8.503   0.339  28.767
  743    HB3  GLN 101           3HB      GLN 101   9.631   1.004  29.963
  744    HG2  GLN 101           2HG      GLN 101   9.398  -1.063  31.332
  745    HG3  GLN 101           3HG      GLN 101   8.313  -1.748  30.124
  746   HE21  GLN 101          2HE2      GLN 101  11.686  -0.870  30.810
  747   HE22  GLN 101          1HE2      GLN 101  12.358  -1.712  29.426
  748    H    HIS 102           H        HIS 102   6.034   2.390  31.981
  749    HA   HIS 102           HA       HIS 102   5.031   4.125  30.196
  750    HD1  HIS 102           HD1      HIS 102   4.594   2.884  34.526
  751    HD2  HIS 102           HD2      HIS 102   2.467   3.954  31.081
  752    HE1  HIS 102           HE1      HIS 102   2.449   1.540  34.565
  753    HB2  HIS 102           2HB      HIS 102   5.717   4.796  33.085
  754    HB3  HIS 102           3HB      HIS 102   4.557   5.657  32.077
  755    H    ALA 103           H        ALA 103   8.215   4.663  31.790
  756    HA   ALA 103           HA       ALA 103   8.532   7.334  30.958
  757    HB1  ALA 103           3HB      ALA 103  10.660   5.223  31.455
  758    HB2  ALA 103           1HB      ALA 103  10.932   6.976  31.344
  759    HB3  ALA 103           2HB      ALA 103   9.939   6.325  32.660
  760    H    ILE 104           H        ILE 104   8.985   4.316  29.121
  761    HA   ILE 104           HA       ILE 104  10.436   5.571  26.915
  762    HB   ILE 104           HB       ILE 104   8.882   2.938  27.037
  763   HG12  ILE 104          2HG1      ILE 104  11.856   3.513  27.418
  764   HG13  ILE 104          3HG1      ILE 104  10.732   2.952  28.656
  765   HG21  ILE 104          1HG2      ILE 104  10.929   3.894  24.989
  766   HG22  ILE 104          2HG2      ILE 104  10.087   2.330  24.989
  767   HG23  ILE 104          3HG2      ILE 104   9.174   3.802  24.720
  768   HD11  ILE 104          3HD1      ILE 104  11.736   1.377  26.266
  769   HD12  ILE 104          1HD1      ILE 104  12.004   1.065  27.984
  770   HD13  ILE 104          2HD1      ILE 104  10.383   0.844  27.294
  771    H    SER 105           H        SER 105   7.031   4.493  27.568
  772    HA   SER 105           HA       SER 105   5.925   5.458  25.190
  773    HG   SER 105           HG       SER 105   5.143   3.305  26.136
  774    HB2  SER 105           2HB      SER 105   4.531   5.466  27.891
  775    HB3  SER 105           3HB      SER 105   3.809   5.255  26.285
  776    H    THR 106           H        THR 106   6.494   7.292  28.307
  777    HA   THR 106           HA       THR 106   5.126   9.574  27.345
  778    HB   THR 106           HB       THR 106   6.530  10.778  29.115
  779    HG1  THR 106           1HG      THR 106   8.261   9.357  29.317
  780   HG21  THR 106          3HG2      THR 106   4.206   9.742  29.397
  781   HG22  THR 106          1HG2      THR 106   5.020   8.380  30.185
  782   HG23  THR 106          2HG2      THR 106   5.166  10.029  30.842
  783    H    GLU 107           H        GLU 107   8.653   8.690  27.018
  784    HA   GLU 107           HA       GLU 107   9.346  11.203  25.851
  785    HB2  GLU 107           2HB      GLU 107  10.491   8.401  25.555
  786    HB3  GLU 107           3HB      GLU 107  11.213   9.806  24.774
  787    HG2  GLU 107           2HG      GLU 107  10.774   9.678  27.784
  788    HG3  GLU 107           3HG      GLU 107  12.230   9.079  26.998
  789    H    LYS 108           H        LYS 108   8.031   8.209  24.458
  790    HA   LYS 108           HA       LYS 108   8.200   9.022  21.689
  791    HB2  LYS 108           2HB      LYS 108   6.515   6.999  23.215
  792    HB3  LYS 108           3HB      LYS 108   6.345   7.256  21.472
  793    HG2  LYS 108           2HG      LYS 108   8.761   6.735  21.172
  794    HG3  LYS 108           3HG      LYS 108   8.896   6.385  22.903
  795    HD2  LYS 108           2HD      LYS 108   7.254   4.583  22.720
  796    HD3  LYS 108           3HD      LYS 108   6.957   4.961  21.018
  797    HE2  LYS 108           2HE      LYS 108   9.612   3.975  22.152
  798    HE3  LYS 108           3HE      LYS 108   8.393   2.977  21.337
  799    HZ1  LYS 108           3HZ      LYS 108   8.648   4.450  19.381
  800    HZ2  LYS 108           1HZ      LYS 108   9.922   5.167  20.094
  801    HZ3  LYS 108           2HZ      LYS 108   9.974   3.545  19.736
  802    H    ILE 109           H        ILE 109   5.493   9.215  24.083
  803    HA   ILE 109           HA       ILE 109   3.671  10.558  22.363
  804    HB   ILE 109           HB       ILE 109   3.975  10.597  25.386
  805   HG12  ILE 109          2HG1      ILE 109   1.835   9.130  23.779
  806   HG13  ILE 109          3HG1      ILE 109   3.375   8.374  24.111
  807   HG21  ILE 109          1HG2      ILE 109   1.673  11.431  25.521
  808   HG22  ILE 109          2HG2      ILE 109   2.653  12.585  24.636
  809   HG23  ILE 109          3HG2      ILE 109   1.556  11.509  23.751
  810   HD11  ILE 109          3HD1      ILE 109   1.801   7.660  25.797
  811   HD12  ILE 109          1HD1      ILE 109   2.999   8.703  26.575
  812   HD13  ILE 109          2HD1      ILE 109   1.375   9.325  26.207
  813    H    LYS 110           H        LYS 110   6.166  11.876  24.614
  814    HA   LYS 110           HA       LYS 110   5.650  14.612  24.243
  815    HB2  LYS 110           2HB      LYS 110   7.194  13.579  25.928
  816    HB3  LYS 110           3HB      LYS 110   8.346  13.226  24.645
  817    HG2  LYS 110           2HG      LYS 110   8.451  15.717  24.166
  818    HG3  LYS 110           3HG      LYS 110   7.462  15.980  25.606
  819    HD2  LYS 110           2HD      LYS 110  10.166  14.558  25.543
  820    HD3  LYS 110           3HD      LYS 110   9.936  16.264  25.953
  821    HE2  LYS 110           2HE      LYS 110   8.661  15.719  27.929
  822    HE3  LYS 110           3HE      LYS 110   8.594  14.000  27.481
  823    HZ1  LYS 110           3HZ      LYS 110  11.122  15.387  28.096
  824    HZ2  LYS 110           1HZ      LYS 110  10.278  14.463  29.170
  825    HZ3  LYS 110           2HZ      LYS 110  10.899  13.774  27.825
  826    H    ALA 111           H        ALA 111   7.810  12.436  22.325
  827    HA   ALA 111           HA       ALA 111   8.791  14.434  20.605
  828    HB1  ALA 111           3HB      ALA 111   8.374  11.461  20.042
  829    HB2  ALA 111           1HB      ALA 111   9.440  12.562  19.143
  830    HB3  ALA 111           2HB      ALA 111   9.787  12.181  20.843
  831    H    LYS 112           H        LYS 112   5.789  12.482  20.362
  832    HA   LYS 112           HA       LYS 112   5.277  13.587  17.673
  833    HB2  LYS 112           2HB      LYS 112   3.684  11.639  19.401
  834    HB3  LYS 112           3HB      LYS 112   3.272  12.088  17.751
  835    HG2  LYS 112           2HG      LYS 112   5.735  10.549  18.674
  836    HG3  LYS 112           3HG      LYS 112   4.378   9.928  17.750
  837    HD2  LYS 112           2HD      LYS 112   6.473  11.907  16.772
  838    HD3  LYS 112           3HD      LYS 112   6.324  10.204  16.337
  839    HE2  LYS 112           2HE      LYS 112   4.104  10.648  15.304
  840    HE3  LYS 112           3HE      LYS 112   4.246  12.360  15.720
  841    HZ1  LYS 112           3HZ      LYS 112   6.064  10.896  13.899
  842    HZ2  LYS 112           1HZ      LYS 112   4.893  11.963  13.437
  843    HZ3  LYS 112           2HZ      LYS 112   6.188  12.494  14.293
  844    H    TYR 113           H        TYR 113   4.070  14.160  20.976
  845    HA   TYR 113           HA       TYR 113   1.700  15.510  20.159
  846    HD1  TYR 113           HD2      TYR 113  -0.233  15.024  21.769
  847    HD2  TYR 113           HD1      TYR 113   2.344  17.896  23.699
  848    HE1  TYR 113           HE2      TYR 113  -2.221  16.310  22.476
  849    HE2  TYR 113           HE1      TYR 113   0.343  19.182  24.429
  850    HH   TYR 113           HH       TYR 113  -3.005  18.189  23.643
  851    HB2  TYR 113           2HB      TYR 113   2.215  14.544  22.438
  852    HB3  TYR 113           3HB      TYR 113   3.289  15.907  22.728
  853    HA   PRO 114           HA       PRO 114   3.697  18.955  18.381
  854    HB2  PRO 114           2HB      PRO 114   1.719  20.897  18.307
  855    HB3  PRO 114           3HB      PRO 114   1.785  19.460  17.243
  856    HG2  PRO 114           2HG      PRO 114   0.215  19.808  19.812
  857    HG3  PRO 114           3HG      PRO 114  -0.354  19.149  18.243
  858    HD2  PRO 114           2HD      PRO 114   0.401  17.516  20.262
  859    HD3  PRO 114           3HD      PRO 114   0.825  17.116  18.569
  860    H    ASP 115           H        ASP 115   2.181  19.566  21.564
  861    HA   ASP 115           HA       ASP 115   3.698  22.048  21.926
  862    HB2  ASP 115           2HB      ASP 115   1.375  21.626  22.846
  863    HB3  ASP 115           3HB      ASP 115   2.119  20.530  24.012
  864    H    TYR 116           H        TYR 116   4.652  18.869  21.998
  865    HA   TYR 116           HA       TYR 116   6.271  17.670  22.964
  866    HD1  TYR 116           HD1      TYR 116   8.357  17.161  21.158
  867    HD2  TYR 116           HD2      TYR 116   9.631  19.682  24.411
  868    HE1  TYR 116           HE1      TYR 116  10.448  15.840  21.349
  869    HE2  TYR 116           HE2      TYR 116  11.732  18.358  24.619
  870    HH   TYR 116           HH       TYR 116  12.464  15.564  22.499
  871    HB2  TYR 116           2HB      TYR 116   7.381  19.440  21.572
  872    HB3  TYR 116           3HB      TYR 116   7.736  20.318  23.048
  873    H    GLU 117           H        GLU 117   4.508  17.755  24.883
  874    HA   GLU 117           HA       GLU 117   6.236  17.686  27.207
  875    HB2  GLU 117           2HB      GLU 117   4.659  19.948  27.077
  876    HB3  GLU 117           3HB      GLU 117   3.583  18.822  27.908
  877    HG2  GLU 117           2HG      GLU 117   5.246  18.392  29.632
  878    HG3  GLU 117           3HG      GLU 117   6.448  19.345  28.761
  879    H    VAL 118           H        VAL 118   5.257  16.422  28.939
  880    HA   VAL 118           HA       VAL 118   2.884  14.888  28.641
  881    HB   VAL 118           HB       VAL 118   4.532  13.784  26.973
  882   HG11  VAL 118          1HG1      VAL 118   6.370  12.514  27.813
  883   HG12  VAL 118          2HG1      VAL 118   6.557  14.159  28.395
  884   HG13  VAL 118          3HG1      VAL 118   5.980  12.889  29.494
  885   HG21  VAL 118          3HG2      VAL 118   2.583  12.581  27.876
  886   HG22  VAL 118          1HG2      VAL 118   3.967  11.529  27.565
  887   HG23  VAL 118          2HG2      VAL 118   3.569  11.997  29.231
  888    H    THR 119           H        THR 119   2.830  13.395  30.692
  889    HA   THR 119           HA       THR 119   5.007  13.763  32.625
  890    HB   THR 119           HB       THR 119   3.241  14.205  34.424
  891    HG1  THR 119           1HG      THR 119   1.758  14.859  32.100
  892   HG21  THR 119          3HG2      THR 119   4.830  15.954  33.626
  893   HG22  THR 119          1HG2      THR 119   3.590  16.517  32.484
  894   HG23  THR 119          2HG2      THR 119   3.289  16.582  34.231
  895    H    TRP 120           H        TRP 120   4.624  12.149  34.532
  896    HA   TRP 120           HA       TRP 120   2.517  10.284  34.164
  897    HD1  TRP 120           HD1      TRP 120   6.740  10.170  32.585
  898    HE1  TRP 120           HE1      TRP 120   8.845   9.015  33.446
  899    HE3  TRP 120           HE3      TRP 120   4.557   6.733  35.675
  900    HZ2  TRP 120           HZ2      TRP 120   9.516   6.891  35.313
  901    HZ3  TRP 120           HZ3      TRP 120   5.945   5.167  36.997
  902    HH2  TRP 120           HH2      TRP 120   8.423   5.232  36.825
  903    HB2  TRP 120           2HB      TRP 120   3.682   8.246  33.874
  904    HB3  TRP 120           3HB      TRP 120   4.124   9.287  32.566
  905    H    ALA 121           H        ALA 121   2.478   8.632  35.900
  906    HA   ALA 121           HA       ALA 121   4.165   9.147  38.253
  907    HB1  ALA 121           3HB      ALA 121   1.108   9.294  38.321
  908    HB2  ALA 121           1HB      ALA 121   2.174   9.300  39.742
  909    HB3  ALA 121           2HB      ALA 121   2.221  10.656  38.598
  910    H    ASN 122           H        ASN 122   4.072   7.361  39.740
  911    HA   ASN 122           HA       ASN 122   3.733   4.838  38.295
  912    HB2  ASN 122           2HB      ASN 122   5.821   5.512  39.578
  913    HB3  ASN 122           3HB      ASN 122   4.887   5.339  41.069
  914   HD21  ASN 122          2HD2      ASN 122   5.690   3.454  42.018
  915   HD22  ASN 122          1HD2      ASN 122   5.873   1.936  41.156
  916    H    ASP 123           H        ASP 123   1.440   6.504  39.815
  917    HA   ASP 123           HA       ASP 123   0.407   4.824  41.868
  918    HB2  ASP 123           2HB      ASP 123  -0.319   7.146  41.531
  919    HB3  ASP 123           3HB      ASP 123  -1.032   6.714  39.974
  920    H    GLY 124           H        GLY 124  -1.302   3.303  41.801
  921    HA2  GLY 124           2HA      GLY 124  -0.928   1.421  39.592
  922    HA3  GLY 124           3HA      GLY 124  -1.770   1.134  41.122
  923    H    TYR 125           H        TYR 125  -3.001   0.033  39.131
  924    HA   TYR 125           HA       TYR 125  -4.805   1.611  37.602
  925    HD1  TYR 125           HD2      TYR 125  -5.291   0.168  35.111
  926    HD2  TYR 125           HD1      TYR 125  -7.647  -1.138  38.469
  927    HE1  TYR 125           HE2      TYR 125  -7.322   0.245  33.701
  928    HE2  TYR 125           HE1      TYR 125  -9.686  -1.091  37.074
  929    HH   TYR 125           HH       TYR 125 -10.560  -0.595  35.009
  930    HB2  TYR 125           2HB      TYR 125  -4.235  -0.771  37.128
  931    HB3  TYR 125           3HB      TYR 125  -5.187  -1.245  38.535